smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F 217426 ALIHKYQHSUEULO-UHFFFAOYSA-N 311.259 2.604 0 50 DFAA CC(C)N1CCN2CCN(C(C)C)P1N(C(C)C)CC2 2509873 DFRWCJYSXGNOFD-UHFFFAOYSA-N 300.431 2.674 0 50 DFAA CN(C)CCCCCN=c1[nH]oc(-c2ccccc2)c1C(=O)O 2356140287 CLWJROMLVHKPQT-UHFFFAOYSA-N 317.389 2.606 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 248132846 NTBUIKYQVCAWPU-IAGOWNOFSA-N 322.399 2.983 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](C)c1nccs1 65381808 JYBMDMAWGYBKSO-GFCCVEGCSA-N 306.435 2.646 0 50 DFAA CCN(Cc1ccccc1F)Cc1c(CO)cnc(C)c1O 67742681 CHXYWZDPBPIQMB-UHFFFAOYSA-N 304.365 2.749 0 50 DFAA CC1(C)CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1ccccc1 119378035 QIPRBGBEXUFAKJ-HNNXBMFYSA-N 320.396 2.995 0 50 DFAA C[C@H](NC(=O)c1cccc(F)c1)C(=O)Nc1ccc(F)cc1F 20292923 YYACDWPOUWUBCT-VIFPVBQESA-N 322.286 2.861 0 50 DFAA COc1ccc2[nH]c(=O)c(CN(C)Cc3cccc(O)c3)cc2c1 67880376 MCQDXUTWQQSIGA-UHFFFAOYSA-N 324.380 2.874 0 50 DFAA Cc1ocnc1-c1noc([C@H]2CC(=O)Nc3cc(F)ccc32)n1 351019053 MVDJBSVUUYPLSK-JTQLQIEISA-N 314.276 2.646 0 50 DFAA COc1ccc(N[C@@H]2CCCN(CC(C)(C)CO)C2)cc1OC 12305420 FAVMHKLQCMFVNR-OAHLLOKOSA-N 322.449 2.599 0 50 DFAA O=C(Cc1cccs1)N1CCC[C@@H](OCc2cccnc2)C1 77554980 CDIVVBCKWLKJRW-OAHLLOKOSA-N 316.426 2.893 0 50 DFAA CN(Cc1ccoc1)c1nc(-c2cccnc2)nc2c1cnn2C 72146551 RQHFABIFYZCWJH-UHFFFAOYSA-N 320.356 2.655 0 50 DFAA CCC1=NO[C@@H](CNC(=O)c2ccc(CCC(C)(C)O)cc2)C1 72418608 YTGGETCORPXGCI-MRXNPFEDSA-N 318.417 2.675 0 50 DFAA CN(CC1CCOCC1)C(=O)N[C@H]1CCCOc2ccccc21 158198297 MSPXILACNOOJPX-INIZCTEOSA-N 318.417 2.968 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)c3cc(-c4ccccc4)on3)C2)n1 77504189 SEPKDNKITQSGHJ-UHFFFAOYSA-N 322.368 2.852 0 50 DFAA COCCN1[C@H]2CC[C@H]1CC(N(C)c1nc3ccccc3o1)C2 292909492 XILIALLYNYCMEK-KBPBESRZSA-N 315.417 2.906 0 50 DFAA CC(C)c1nc([C@H]2CCCCN2Cc2ncnn2C(C)C)n[nH]1 289112041 MYUONEDLFYFBCX-CYBMUJFWSA-N 317.441 2.828 0 50 DFAA O[C@@]1(C(F)(F)F)CCCN(Cc2cnn3ccccc23)CC1 289534826 HVGUHYCBCQRKBI-AWEZNQCLSA-N 313.323 2.614 0 50 DFAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 136191945 HACGAUBPDCHCOP-DDHJSBNISA-N 301.342 2.575 0 50 DFAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccn(C)n2)no1 82145958 SCZRFKNBUCZMBH-CQSZACIVSA-N 302.378 2.899 0 50 DFAA CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1N[C@H]1CC[C@H](O)CC1 239654023 BMGLUUMFBKTEGR-AJNGGQMLSA-N 312.454 2.573 0 50 DFAA O=C(NCCC[C@@H]1CCOC1)c1ccc(CN2CCCC2)cc1 426518992 PKJSCJZUNJVLMX-QGZVFWFLSA-N 316.445 2.829 0 50 DFAA Cc1ccc2nc(CCCNC(=O)[C@]3(C)CCCO3)[nH]c2c1C 426580903 BYTNWWZCBJYOGU-SFHVURJKSA-N 315.417 2.798 0 50 DFAA Cn1ncc(-c2ccccc2)c1NC(=O)N[C@H]1CC[C@H](O)CC1 244605517 DZXXMMUYXCQWGQ-HDJSIYSDSA-N 314.389 2.512 0 50 DFAA COc1ccccc1OCCN1CCC[C@H](CC(=O)O)CC1 299743819 MLDDCVVRSHGPHV-AWEZNQCLSA-N 307.390 2.651 0 50 DFAA Cc1nc(C(=O)N[C@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cs1 252528068 DZLABXAJUATACG-RBSFLKMASA-N 316.426 2.564 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 299745059 VVHOHRPKZRANJY-KWCYVHTRSA-N 307.777 2.767 0 50 DFAA Cc1cccc2nc(CN(C)c3cc([C@H]4C[C@@H](O)C4)ncn3)[nH]c12 252527622 DADIZALEMIGESH-BETUJISGSA-N 323.400 2.536 0 50 DFAA Cn1cncc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 289888410 SRPCLZJBFAGCEF-AWEZNQCLSA-N 311.385 2.987 0 50 DFAA CCn1nc(C)c([C@@H](C)NC(=O)c2ncc(F)cc2F)c1C 299757955 LQZARYCSWGGTFQ-MRVPVSSYSA-N 308.332 2.684 0 50 DFAA CSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(F)c(F)c1 824954766 IYTADSJIGIQJLR-ZETCQYMHSA-N 323.324 2.656 0 50 DFAA Cc1ocnc1C(=O)N1CCC[C@H](c2nc(C(C)C)no2)C1 584892706 AFBLMJLFHAEMTG-NSHDSACASA-N 304.350 2.509 0 50 DFAA Cc1ccc([S@](C)(=O)=NC(=O)[C@@H]2CSCCS2)cc1 952992525 HRRURPNCPULNHT-BUXKBTBVSA-N 315.485 2.827 0 50 DFAA O=C(O)[C@H](NCc1ccc2c(n1)CCC2)[C@H]1C[C@H]2CC[C@H]1C2 1875291964 RGLDGXMFJBAWQE-MOWSHJCCSA-N 300.402 2.549 0 50 DFAA CN(C)C/C=C/C(=O)N(C)[C@H](Cc1ccccn1)C(C)(C)C 1875376060 XQDFJFCGVZPJFQ-PXUDHTSWSA-N 303.450 2.615 0 50 DFAA Cn1c(N2CCC[C@@H]2C(=O)NC(C)(C)C)nc2ccc(F)cc21 895850936 GORBTDABOAUWGL-CYBMUJFWSA-N 318.396 2.596 0 50 DFAA CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 19634020 HCIRUFZBKBFVBR-UHFFFAOYSA-N 300.761 2.753 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 408464741 HEQJPXJIHFUVGK-KOZAUXTDSA-N 318.465 2.951 0 50 DFAA COC1(C(F)(F)F)CCN(C(=O)c2cc(C)sn2)CC1 416268438 IKZGOZBPWDNBCT-UHFFFAOYSA-N 308.325 2.635 0 50 DFAA O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)CCC2 172282168 NJQZRAVVBAIGCR-GOSISDBHSA-N 320.392 2.838 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2C[C@]2(C)C(C)C)c1 187669892 BRNDZUNRFLLPKA-UKRRQHHQSA-N 313.394 2.621 0 50 DFAA Cc1ccc2cc(C(=O)N3CCC[C@@H](n4ccnn4)CC3)[nH]c2c1 636192942 YSTPVGDYRZFYQC-OAHLLOKOSA-N 323.400 2.935 0 50 DFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1Cc2ccccc2C1 190434437 HUAWVXYUOBZHRC-ROUUACIJSA-N 311.429 2.880 0 50 DFAA CCn1c(CCNC(=O)[C@H]2CCCO[C@@H]2C)nc2ccccc21 190471330 MGINOQUJJPGOKT-KGLIPLIRSA-N 315.417 2.530 0 50 DFAA C[C@H](CN1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 648367981 BNYJDRIXIKCZCV-XWIAVFTESA-N 324.415 2.599 0 50 DFAA Cc1ccnc(NCc2cccc(N3CCOCC3)n2)c1Cl 584857354 PJYUDNKLFGADFD-UHFFFAOYSA-N 318.808 2.887 0 50 DFAA CN(CCc1nc2ccccc2[nH]1)C(=O)CCc1ccncc1 585130021 FMNQFFPVPWTDQJ-UHFFFAOYSA-N 308.385 2.592 0 50 DFAA COc1cc(CN[C@H](C)c2ccccc2)ccc1OCCO 13730806 ODGFCPJVFZMHOZ-CQSZACIVSA-N 301.386 2.917 0 50 DFAA O=C(NCCc1ccccc1)C1CCN(Cc2ccccn2)CC1 15855998 QDYMVALBNCRYHN-UHFFFAOYSA-N 323.440 2.653 0 50 DFAA CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]1CCCCN1 152373337 IKXQRXSICYLVJQ-OAHLLOKOSA-N 310.825 2.709 0 50 DFAA CCOc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1 2842784 UBPQZSCXJUCHIS-UHFFFAOYSA-N 317.476 2.895 0 50 DFAA CCOc1ccccc1NC(=O)CSc1nnc(CC)n1C 6741853 PVICCHQELCQYER-UHFFFAOYSA-N 320.418 2.507 0 50 DFAA CC(C)(C)[C@H]1CCN(C(=O)NCC2(C(F)(F)F)CC2)C[C@@H]1O 332131268 JVDDTWHTBSQJAN-QWRGUYRKSA-N 322.371 2.767 0 50 DFAA Cc1nc(C)n(C2CN(C(=O)c3scc(C)c3Cl)C2)n1 407998480 QRYJIFJEKMIVAP-UHFFFAOYSA-N 310.810 2.615 0 50 DFAA O=C(CNc1ccccc1Cl)N1CCC[C@H]1CN1CCCC1 588101645 RKWKFULPXFVLOW-AWEZNQCLSA-N 321.852 2.839 0 50 DFAA CN(Cc1cccc(N(C)C)c1)C(=O)Nc1ccc(F)cn1 123129982 QVETZBPVMOVTDO-UHFFFAOYSA-N 302.353 2.951 0 50 DFAA CC[C@@H]1CCN(C(=O)c2sc(-c3ncccn3)nc2C)C1 130978348 RBTGHBIJVZTNGC-LLVKDONJSA-N 302.403 2.781 0 50 DFAA CCc1cnc(CNC(=O)c2cc(C)cc(C(=O)O)c2)s1 263341644 SECSLNUHPOUJQO-UHFFFAOYSA-N 304.371 2.642 0 50 DFAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(Cl)cc2cccnc12 267164149 GUYKYVCVWDILDB-GXFFZTMASA-N 302.761 2.555 0 50 DFAA CC[C@H](C)c1cccc(NC(=O)Cn2ccc(C(=O)O)n2)c1 910193366 BVVPWFOLHWSHSP-NSHDSACASA-N 301.346 2.734 0 50 DFAA Cc1ccc(C)c(CN(C)C(=O)COc2c(C)occc2=O)c1 935642348 AWQPLSLOXXJLCW-UHFFFAOYSA-N 315.369 2.602 0 50 DFAA C[C@H](C(=O)N1CCC[C@](O)(c2ccccc2)C1)C(F)(F)F 862803908 NAKWUVUSJUUGTI-BXUZGUMPSA-N 301.308 2.695 0 50 DFAA O=C(NO[C@@H]1CCOC1)N1CCC[C@H]1c1cc(F)ccc1F 2325776067 FGQZGIGQWOBMGQ-RISCZKNCSA-N 312.316 2.532 0 50 DFAA O=C(Nc1ccnn1C1CCCCC1)N1CC[C@H](O)C12CCC2 2325789759 LGVIISPPDJDSOX-AWEZNQCLSA-N 318.421 2.910 0 50 DFAA Cc1csc2cc(C(=O)NCCCn3ccnc3C)[nH]c12 2325792494 IVXBWOJVSDDFBI-UHFFFAOYSA-N 302.403 2.863 0 50 DFAA Cc1oc2ccccc2c1CC(=O)N[C@H]1C[C@@H](CC(=O)O)C1 2325797821 VPGBYWQLRNQWAW-TXEJJXNPSA-N 301.342 2.653 0 50 DFAA C[C@]12CN(Cc3cnn([C@@H]4CC4(F)F)c3)CC[C@H]1C2(F)F 2325802512 LSROGLMAYDVCHN-UTUOFQBUSA-N 303.303 2.940 0 50 DFAA C[C@@H]1C[C@@H]2CN([C@H](C)C(=O)c3c[nH]c4ccccc34)CCN2C1 2325853906 GVHIQDIUBDXZKL-RBSFLKMASA-N 311.429 2.765 0 50 DFAA CNC(=O)c1ccc(OC)c(NCc2ccnc3[nH]ccc23)c1 2325854066 NAWZFMOKWXRAGB-UHFFFAOYSA-N 310.357 2.543 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)NC(=O)N1C 177324 JDMMZVNJONLJLA-AWEZNQCLSA-N 306.337 2.747 0 50 DFAA CCOC(=O)CSc1nnc2c3ccccc3n(CC)c2n1 181137 JRHMKANULVPHHY-UHFFFAOYSA-N 316.386 2.655 0 50 DFAA c1cc2c(cc1CN1CCC(N3CCCCC3)CC1)OCO2 200646 MIDHOANJGBSUFC-UHFFFAOYSA-N 302.418 2.866 0 50 DFAA COc1cc(CN[C@H]2CCCC[C@@H]2OC)cc(OC)c1OC 267280 CNRAIZKPBXFGHK-KBPBESRZSA-N 309.406 2.760 0 50 DFAA biogenic,in-vitro CNC(=O)c1ccc(Cl)cc1Nc1ccc(C(N)=O)cc1 2356135628 MVAZBPMMMMKOED-UHFFFAOYSA-N 303.749 2.542 0 50 DFAA COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccncc1 8997350 WKHREDIUWYMWOD-INIZCTEOSA-N 320.352 2.871 0 50 DFAA CCC[C@H](C)c1nnc(NC(=O)c2cc(C)[nH]c(=O)c2)s1 55212113 VKDGENZCQGZHQL-QMMMGPOBSA-N 306.391 2.691 0 50 DFAA CC(C)N1CCC(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)CC1 101893517 LOMISOAGXDWKED-BRWVUGGUSA-N 302.462 2.825 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCO[C@H]1CCOC1 246693958 YUQSLYJYTOKINI-UGUYLWEFSA-N 310.438 2.545 0 50 DFAA Cc1nc2ccccc2c(O)c1CC[C@@]1(C)NCCc2[nH]cnc21 65385117 SCDAMAADONJREA-LJQANCHMSA-N 322.412 2.966 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)NCC(=O)C(C)(C)C)cc2)n1 67883672 DFBBJXNTUQYRDL-UHFFFAOYSA-N 313.401 2.834 0 50 DFAA C[C@H](COc1ccccc1)NCc1nc(-c2cccnc2)no1 65526566 DIJQJYMXZAKQTQ-CYBMUJFWSA-N 310.357 2.689 0 50 DFAA COc1cccc(CN(C)C(=O)CCN2CCC[C@@H](C)C2)c1 20998461 MWAXQNPJIFVOMG-OAHLLOKOSA-N 304.434 2.776 0 50 DFAA O=C(NC[C@@H]1CCCO1)c1cccc(COCC(F)(F)F)c1 2750884 GAMWJBRTVHOPEF-ZDUSSCGKSA-N 317.307 2.674 0 50 DFAA CCOC(=O)CSc1nccc(-c2ccc(OC)cc2)n1 2785941 MPKIZFITFCUNET-UHFFFAOYSA-N 304.371 2.807 0 50 DFAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1ccc2[nH]ncc2c1 252513859 AJIYSRKKNKTIAZ-XOKHGSTOSA-N 314.433 2.864 0 50 DFAA CS(=O)(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1 252507855 WVCDGNLUQYSUNY-INIZCTEOSA-N 318.373 2.936 0 50 DFAA CCSC[C@H](C)N(C)C(=O)c1c[nH]c(=O)c2ccccc12 170605110 WSGOHEBXQMKZHB-NSHDSACASA-N 304.415 2.742 0 50 DFAA Cc1nc(CC(=O)N2CC(OCc3ccc(F)cc3)C2)cs1 72420497 OAWNAUWPTSXBOZ-UHFFFAOYSA-N 320.389 2.561 0 50 DFAA CCCc1cc(NC[C@@H](O)c2ccccc2F)n2nccc2n1 72169970 WSHYOKNYBYVZPI-OAHLLOKOSA-N 314.364 2.966 0 50 DFAA Cc1ccc(F)cc1C(=O)Nc1cccc2c1OCC(=O)N2 365674330 CRRXJJMRCHOZMB-UHFFFAOYSA-N 300.289 2.717 0 50 DFAA Cc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)o1 170898753 NIGAACWTEXOWJI-CQSZACIVSA-N 313.275 2.768 0 50 DFAA CC(=O)Oc1c(Br)cc(C=O)cc1Br 13450306 BYPSFDNHNSBNML-UHFFFAOYSA-N 321.952 2.949 0 50 DFAA biogenic O=C1CCC(=O)N1Cc1ccc(NC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 156234183 KOWNLLMQCNSQKD-JYJNAYRXSA-N 310.397 2.960 0 50 DFAA Cc1cc(=O)n(S(=O)(=O)c2cccs2)c2ccccc12 214075316 HNZXQMFZLLQYEJ-UHFFFAOYSA-N 305.380 2.608 0 50 DFAA CCc1noc(-c2cccc(-n3ccnc3[C@H]3CCOC3)c2)n1 77437116 NXDJYPSHLHBRIO-ZDUSSCGKSA-N 310.357 2.989 0 50 DFAA CC(=O)N1CC[C@H](Nc2ncnc(N)c2Cl)c2ccccc21 372976628 GKXCGVJUTPZDDA-NSHDSACASA-N 317.780 2.622 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 237643431 JZBBMUZWQVRIKB-GOSISDBHSA-N 314.385 2.814 0 50 DFAA CCC[C@H]1NC(=O)N(CN2CCC[C@H]2c2ccccc2)C1=O 241564232 OSMQXEBWCKGWID-CABCVRRESA-N 301.390 2.502 0 50 DFAA O=C(N[C@H](c1ccccc1)C(F)F)N1CCN(C2CCC2)CC1 455594929 JMAHKJGYNJOXIG-OAHLLOKOSA-N 323.387 2.873 0 50 DFAA CCc1c(C)nn(CCNC(=O)c2cc3ccccc3n2C)c1C 220474841 XWVMPVMLAIIYIS-UHFFFAOYSA-N 324.428 2.984 0 50 DFAA CC[C@H](NC(=O)C1(c2ccc(C)cc2)CC1)c1ncnn1CC 220278429 KEYOTZJXCQZSBO-HNNXBMFYSA-N 312.417 2.906 0 50 DFAA Cn1c(Sc2ccncc2)nnc1[C@@H](N)Cc1ccccc1 426551748 DQFQMFZOFLXWIU-AWEZNQCLSA-N 311.414 2.604 0 50 DFAA O=C(O)CCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 40312825 QIUMDWVQXVKAGY-UHFFFAOYSA-N 321.336 2.501 0 50 DFAA biogenic CN(C(=O)c1cc2c(OC(F)F)cccc2[nH]1)c1cnn(C)c1 174379718 GVNCKJZYIALRRB-UHFFFAOYSA-N 320.299 2.779 0 50 DFAA C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@H](CCC(=O)O)C2)C1 237358235 NXGWQPGSTXIYRM-ILXRZTDVSA-N 311.422 2.685 0 50 DFAA O=C(NCCCCc1ccccn1)c1cc(=O)[nH]c2ccccc12 91663751 SFDJMOWVQFNBRJ-UHFFFAOYSA-N 321.380 2.676 0 50 DFAA CCc1noc(C)c1C(=O)NCc1c[nH]nc1-c1cccs1 97213052 PMNMRUOVPKJTBD-UHFFFAOYSA-N 316.386 2.927 0 50 DFAA CN(CCN1CCCCC1=O)C[C@H]1CCOc2ccccc2C1 95531556 XMZFUIFCXDSEMT-INIZCTEOSA-N 316.445 2.572 0 50 DFAA CNC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 178999597 QGHXHWQWIJZCSD-LLVKDONJSA-N 319.405 2.631 0 50 DFAA O=C(Cn1cnc(-c2ccccc2)n1)Nc1ncccc1Cl 179939978 QQQHTAQRNRHYLA-UHFFFAOYSA-N 313.748 2.632 0 50 DFAA c1coc(-c2ccnc3nc([C@H]4COc5ccccc5O4)nn23)c1 253413213 UDMRFHDTKBAEAR-OAHLLOKOSA-N 320.308 2.897 0 50 DFAA C[C@H](NCc1cc[nH]n1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 182641215 FBXMKIROBWYPPU-JSGCOSHPSA-N 308.426 2.677 0 50 DFAA Cn1cc(CN(C(=O)N[C@@H]2CCc3ccccc3C2)C2CC2)cn1 534584965 QIVVDGRXOOGKND-QGZVFWFLSA-N 324.428 2.652 0 50 DFAA O=C1CC[C@@H](NCC2(c3ccc(F)cc3)CCCC2)CCN1 534657508 IAXRYGSFXWKLOW-MRXNPFEDSA-N 304.409 2.896 0 50 DFAA CN(CCCc1cnn(C)c1)C(=O)Nc1ccc(F)cc1F 299772136 ZWMQGSWPKGNVLW-UHFFFAOYSA-N 308.332 2.795 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)Nc3cc(F)ccc3Cl)C[C@H]12 299756010 AKTJHYAFOXBFHR-CNDDSTCGSA-N 311.788 2.750 0 50 DFAA CCc1cccc(NC(=O)N2CCN(CCSC)CC2)c1 299779436 UEQHEWSCIDYVGS-UHFFFAOYSA-N 307.463 2.762 0 50 DFAA Cc1cc(O)nc(C)c1C(=O)NC1CCN(C2CCCC2)CC1 299763601 PANNFDSAUSLLMY-UHFFFAOYSA-N 317.433 2.541 0 50 DFAA O=C(C[C@@H]1CCNC1)NCc1cc(-c2ccccc2Cl)no1 299790430 BERUWMVFYOTHLL-NSHDSACASA-N 319.792 2.611 0 50 DFAA CC(C)NC(=O)c1ccnc(NCC2(N(C)C)CCCCC2)c1 952872385 NJTVOUVWSPXCTH-UHFFFAOYSA-N 318.465 2.896 0 50 DFAA CN(C)c1ncc(Br)c(OCc2ccccc2)n1 65337561 QJYQFOIWCQXMKE-UHFFFAOYSA-N 308.179 2.884 0 50 DFAA in-vitro CCC[C@@]1(CO)CCN(C(=O)Nc2cc3cc[nH]c3cn2)C1 654146559 SHHPDTFYIRZFJD-MRXNPFEDSA-N 302.378 2.579 0 50 DFAA C[C@@H]1OCCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[C@H]1C 166299188 WXCJYGSKGDQUOT-XYJFISCASA-N 316.445 2.534 0 50 DFAA Cc1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)c(C)n1 630328976 WMQQWAYFZWHQRL-UONOGXRCSA-N 311.341 2.534 0 50 DFAA Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc(O)c1C 408124679 RLPPHKLQSBRMNQ-GBIKHYSHSA-N 323.462 2.784 0 50 DFAA CCCn1cc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)cn1 186316710 SZSMVRGJRISRPF-AWEZNQCLSA-N 320.343 2.789 0 50 DFAA CCNc1nc(C(=O)N2CCC([C@@H]3CCCO3)CC2)cs1 276002120 ORXLAPGOBLHOQJ-ZDUSSCGKSA-N 309.435 2.606 0 50 DFAA COC(=O)c1cc(NC(=O)NCC(F)F)cc(Cl)c1F 276705471 CLUGEAODKRBAIW-UHFFFAOYSA-N 310.659 2.652 0 50 DFAA Cc1nnc(N2CCC[C@H](c3nc4c(s3)CCC4)C2)nc1C 895673831 SFMQCJGUQHMVJO-LBPRGKRZSA-N 315.446 2.818 0 50 DFAA Cc1ccc([C@H]2CCCCN2C(=O)C(=O)Nc2ccon2)cc1 189905034 XZUDLXBSAOQMNA-CQSZACIVSA-N 313.357 2.675 0 50 DFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCC[C@@H](O)C1 189938156 CRNGZAJFHCUZNQ-GFCCVEGCSA-N 320.780 2.514 0 50 DFAA COc1ccc(F)c(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 643772856 XHLBMLVMDGQTIM-HIFRSBDPSA-N 305.353 2.519 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cccc(C)c2Cl)C1 644120361 YYOLLXOPAAGPJK-YPMHNXCESA-N 319.792 2.974 0 50 DFAA COc1cc(C)c(NC(=O)[C@@]2(C(=O)O)CC=CCC2)cc1F 653288512 WAICFWTWLKLYOX-MRXNPFEDSA-N 307.321 2.892 0 50 DFAA CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(CC(=O)O)cc2)C1 668281840 DNQLCQFWZVBXEG-HIFRSBDPSA-N 305.374 2.848 0 50 DFAA Cc1[nH]c2ccccc2c1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 585127247 UPNCGUALCAEWPI-OLZOCXBDSA-N 302.374 2.999 0 50 DFAA Cc1cc(C)c2nccc(N3CCOC[C@H](CN(C)C)C3)c2c1 1506398234 JIAYJZPMFWVNLN-MRXNPFEDSA-N 313.445 2.866 0 50 DFAA COc1ccc(-c2n[nH]cc2CNc2nccnc2N(C)C)cc1 1529158790 MAHBHNHDVVGOQV-UHFFFAOYSA-N 324.388 2.553 0 50 DFAA COCc1nnc(N2CCC[C@H](COc3cccc(F)c3)C2)o1 1772711153 FTDIDEDHFUUIJE-LBPRGKRZSA-N 321.352 2.651 0 50 DFAA COc1ccc(OC)c(-n2nc(C(C)=O)c(C(C)=O)c2C)c1 12321427 BJGXVYFBZPHVAU-UHFFFAOYSA-N 302.330 2.603 0 50 DFAA CCS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 12577139 BAYCPFQUMPVDJF-LBPRGKRZSA-N 317.401 2.959 0 50 DFAA COc1ccc(CC(=O)N2CCC[C@@H](CN3CCCC3)C2)cc1 19853315 FGGROIXRPQVGSQ-KRWDZBQOSA-N 316.445 2.572 0 50 DFAA Cc1n[nH]c(O)c1[C@@H](c1c(O)n[nH]c1C)c1c[nH]c2ccccc12 4147139 NPRJPPHJWXWTJU-UHFFFAOYSA-N 323.356 2.822 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccccc1Cl 1320281 BAVIXNLNKWAHHG-MRXNPFEDSA-N 301.729 2.753 0 50 DFAA COCCNCCOCCOc1c(C)cc(C)cc1Cl 2975062 NWMGGHDAAMVALI-UHFFFAOYSA-N 301.814 2.588 0 50 DFAA Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CCC2 2357001 DHYAVFLICKKFEP-UHFFFAOYSA-N 322.412 2.631 0 50 DFAA CN1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 4842363 YEKUEWYAUGTLEF-UHFFFAOYSA-N 319.792 2.937 0 50 DFAA CCOC(=O)C1CCN(C(=O)/C(C)=C\c2ccccc2)CC1 4951461 UVLAJCYETCYOFJ-YPKPFQOOSA-N 301.386 2.892 0 50 DFAA O=C(O)[C@H]1CN(C/C=C/c2ccc(F)cc2)CC12CCOCC2 1857691701 XAKQDAQUCOYFLN-XGBNDESESA-N 319.376 2.652 0 50 DFAA COC(=O)[C@H]1CCn2c(CSc3ccc(C)cc3)nnc2C1 601045239 UMLHAJOSSSQESC-LBPRGKRZSA-N 317.414 2.614 0 50 DFAA Cc1ncc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)[nH]1 328640930 XQBHKUPWIMMFKV-NSHDSACASA-N 304.419 2.675 0 50 DFAA Cc1ccc(OCCC(=O)N2CCC[C@H]([C@H](C)N)C2)c(C)c1 237410207 MALBCNFUWQPUMH-HOTGVXAUSA-N 304.434 2.658 0 50 DFAA CCn1nc(C)c(CNc2cc(C)nc(-c3cccnc3)n2)c1C 589594090 ZKXKHJGHQRHJER-UHFFFAOYSA-N 322.416 3.292 0 50 DFAA Cc1ccc(F)c2oc(-c3nc([C@H]4CCC(=O)NC4)no3)cc12 901968126 NPWYNYVTOWGZNX-VIFPVBQESA-N 315.304 2.924 0 50 DFAA CCN(C(=O)c1cnn(CC)c1Br)c1cccnc1 874320771 PIOHYHJRGVULNM-UHFFFAOYSA-N 323.194 2.727 0 50 DFAA CCCn1ncc(NC(=O)N2CCC[C@@H]3C[C@@]32CO)c1C1CC1 1875289358 LGUPNJCMNIWIKM-CXAGYDPISA-N 318.421 2.549 0 50 DFAA C[C@H]1CCCN(C(=O)c2cc3ccccc3cc2F)S1(=O)=O 1875285602 SCWATFRMJWGDKK-NSHDSACASA-N 321.373 2.933 0 50 DFAA Cc1cn2c(C(=O)N=c3cc(C)n(C(C)C)[nH]3)c(C)nc2s1 1875309204 XXEGRIQMWJHMAB-UHFFFAOYSA-N 317.418 2.773 0 50 DFAA O=C(N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F)N1CC[C@@H]1c1ncon1 1875406028 VDENIBABXBHKPL-GARJFASQSA-N 324.331 2.589 0 50 DFAA Cc1c[nH]nc1C(=O)N1CCN(c2cccc(Cl)c2C)CC1 890992252 DVIQGXRFZQMKSN-UHFFFAOYSA-N 318.808 2.642 0 50 DFAA C[C@@H]1C[C@@H](NCc2nccs2)CN(C(=O)OC(C)(C)C)C1 401715373 GYJGGVQDVKBQNG-VXGBXAGGSA-N 311.451 2.878 0 50 DFAA CC[C@@]1(C)OC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@]1(C)O 52370 BNSFMCYBLDTSOZ-SJORKVTESA-N 323.389 2.576 0 50 DFAA CC(=O)N[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O 2325770631 OGWZFCMOIXWSKR-GFCCVEGCSA-N 301.173 2.625 0 50 DFAA c1csc(-c2nc(CN[C@H]3CCc4nn[nH]c4C3)cs2)c1 2325777694 VREUAKRGVBYJDH-VIFPVBQESA-N 317.443 2.637 0 50 DFAA COC(=O)c1c(NC(=O)N2CCCCC2)c2ccccc2n1C 2325786547 WKTVWGFADDYFRW-UHFFFAOYSA-N 315.373 2.983 0 50 DFAA CC1(C)Cc2nc[nH]c2[C@@H](NCc2ccnc(-n3ccnc3)c2)C1 2325803665 UDXJOHFWRSODNC-AWEZNQCLSA-N 322.416 2.794 0 50 DFAA CC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)cn1 334506 WWYWXHQAJQEAQJ-UHFFFAOYSA-N 311.382 2.734 0 50 DFAA CCc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 571735 LGUKALGIUAVDLN-UHFFFAOYSA-N 318.398 2.873 0 50 DFAA CC1=NN(C(=O)c2ccncc2)[C@@](O)(c2ccc(Cl)cc2)C1 1168374 CYTQHEIHDFJRFQ-INIZCTEOSA-N 315.760 2.802 0 50 DFAA CN(c1ncnc2cccc(F)c12)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356170842 UJMPGSKAGQVLHE-MPZDIEGVSA-N 301.365 2.755 0 50 DFAA COc1cccc(CNC(C)(C)C)c1OCC(=O)NC(C)(C)C 6744180 RLJLINIYNDYAPV-UHFFFAOYSA-N 322.449 2.877 0 50 DFAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccccc3)cc12 10274220 UCKITVRMLSNRSO-UHFFFAOYSA-N 314.366 2.637 0 50 DFAA COc1cc(C(=O)NCc2cccc(C)c2)cc(OC)c1OC 10447523 KFIZQVSQTPLVCB-UHFFFAOYSA-N 315.369 2.951 0 50 DFAA O=C(C[C@@H]1OCCc2ccccc21)NCCc1cccc(O)c1 115711104 RHESDBJXBNVUAS-SFHVURJKSA-N 311.381 2.755 0 50 DFAA CC(C)(C)c1ccccc1OCCOCCN1CCOCC1 23549882 YHASBDXTDXTRQE-UHFFFAOYSA-N 307.434 2.712 0 50 DFAA Cc1nccc(N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)n1 67920659 FKWGLWXKPRVUEW-UHFFFAOYSA-N 309.348 2.877 0 50 DFAA CN(CC[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)s1 62193440 JTANUHJMOZIHIX-SNVBAGLBSA-N 323.867 2.981 0 50 DFAA COc1ccc(CC(=O)N[C@@H](C2=CCCN(C)C2)C(C)C)cc1 67541054 NUQXHSJDSDPKRU-LJQANCHMSA-N 316.445 2.640 0 50 DFAA Cc1ccc(CN2CCN(C3CCCC3)C[C@@H]2CCO)cc1 22852371 OSTFSPBQJYYILU-IBGZPJMESA-N 302.462 2.806 0 50 DFAA CC1(C)[C@H](NCC(=O)NCC(F)(F)F)C[C@@H]1c1ccccc1 123058140 HHMCJZDIQSTBAD-CHWSQXEVSA-N 314.351 2.837 0 50 DFAA CC(C)c1nc(CN(C)Cc2cnc(-c3ccco3)nc2)no1 67921235 JRMNFEVRQIRTDK-UHFFFAOYSA-N 313.361 2.875 0 50 DFAA Cc1cc(CN2CCC[C@@H]2c2ccccn2)c(C)n1-n1cnnc1 67513995 SSEKMXQEGUJBNL-GOSISDBHSA-N 322.416 2.740 0 50 DFAA CCc1ccc(CN2CCCN(Cc3ccncc3)CC2)nc1 67822153 SFMIWGKMSJXSLS-UHFFFAOYSA-N 310.445 2.747 0 50 DFAA Cc1cccc(CC2(O)CCN(C(=O)Cc3ccoc3)CC2)c1 332326844 XNMYCHKMUXTXNK-UHFFFAOYSA-N 313.397 2.727 0 50 DFAA Cc1nn(CCC(=O)O)c(C)c1NC(=O)c1ccccc1Cl 630333767 HEQTXCOOKQELPG-UHFFFAOYSA-N 321.764 2.880 0 50 DFAA C[C@]1(C(=O)N2CCCC2)CC1(Br)Br 2770670 NZKSOWMLOVGLNR-MRVPVSSYSA-N 311.017 2.505 0 50 DFAA CCSc1ncc(-c2nccn2CCn2ccnc2C)cn1 71775705 QDODUJTWBSTLRN-UHFFFAOYSA-N 314.418 2.657 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 77387841 FKJZHUFKSLCFKY-QGZVFWFLSA-N 313.401 2.904 0 50 DFAA Cn1c(S[C@@H]2CCc3ccccc3C2)nnc1-c1cnccn1 127840287 QORUXTWJIOFDRX-CQSZACIVSA-N 323.425 2.922 0 50 DFAA CCOC[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)O)cc2)C1 236970516 IULZLGPRIBALMX-JOZWUWCOSA-N 317.385 2.673 0 50 DFAA CNC1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 237145346 LJOFQSVSUADARY-UHFFFAOYSA-N 301.365 2.506 0 50 DFAA CSCc1cc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)ccc1F 237380428 HYPWJJORAUUNTP-WCQYABFASA-N 310.438 2.888 0 50 DFAA Nc1nc2c(s1)[C@@H](c1ccccc1Br)CC(=O)N2 32090958 IMMNULREJITFPY-SSDOTTSWSA-N 324.203 2.962 0 50 DFAA CC(C)C(=O)N1CCc2nc(N)c(C#N)c([C@@H]3CC=CCC3)c2C1 71479505 UWUMYLOVSZFZRI-CYBMUJFWSA-N 324.428 2.900 0 50 DFAA O=C(c1ccc(O)cn1)N1CCC[C@@H](Nc2cccc(F)c2)C1 72153908 LPAIROFYPNEXBG-CQSZACIVSA-N 315.348 2.643 0 50 DFAA Cc1ccncc1NC(=O)C(=O)NC1(c2ccccc2)CCCC1 354463155 FNNMWDORYFRDPC-UHFFFAOYSA-N 323.396 2.914 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cn1 237980865 BUPQCSIUOAZZTD-ZDUSSCGKSA-N 302.355 2.819 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)CCc2ccoc2)c1 337522543 WKDZBCGFHSZIJT-NVXWUHKLSA-N 315.369 2.555 0 50 DFAA CCn1cc(CN2CCC(Oc3ccc(OC)cc3)CC2)cn1 72129556 SGRKOLPNIVNVBN-UHFFFAOYSA-N 315.417 2.955 0 50 DFAA O[C@H](CN1CCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1 253421218 RYYRZTAFJJNREL-YESZJQIVSA-N 301.386 2.901 0 50 DFAA CCc1cnccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253623491 XBBQYBVJWMSNAJ-BRWVUGGUSA-N 302.418 2.800 0 50 DFAA CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC(F)F)cc1 174997557 RSCLDYDZLMEKRP-UONOGXRCSA-N 324.371 2.987 0 50 DFAA CCOCCN1CCC(=O)N(Cc2ccccc2)[C@@H](CC)C1 71403981 VIFZNKAUNFGFPY-KRWDZBQOSA-N 304.434 2.536 0 50 DFAA Cc1ccccc1SCC(=O)N1CCO[C@H](C(F)(F)F)C1 71764870 NMJOWKDIFNMPAN-LBPRGKRZSA-N 319.348 2.877 0 50 DFAA C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)N1CCC(c2nncn2C)CC1 374017136 IXLVFZZSRHOLJT-IAOVAPTHSA-N 324.428 2.571 0 50 DFAA c1ccc([C@@H]2[C@H]3CC[C@@H](C3)CN2Cc2nnc3n2CCOC3)cc1 374841065 DDKHTLCVARCQCX-URLQWDBASA-N 324.428 2.782 0 50 DFAA CN(Cc1cnc(-c2ccccn2)nc1)C1CCSCC1 215702445 NLZJGTLVCNFBQM-UHFFFAOYSA-N 300.431 2.866 0 50 DFAA O=C1N(CC2CC2)CCC[C@]12CCN(c1ncccc1Cl)C2 72408419 DEEWFWQZGSGKSN-QGZVFWFLSA-N 319.836 2.964 0 50 DFAA CCCN1CC2(CCN(Cc3ccsc3)CC2)C[C@@H]1C(=O)O 72479017 AFIIOYSLJPAXPR-OAHLLOKOSA-N 322.474 2.899 0 50 DFAA Nc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 195279533 WARSXJHKGHJCKV-UHFFFAOYSA-N 309.369 2.757 0 50 DFAA CO[C@H]1CN(C(=O)CSCc2ccc(F)cc2)CC[C@@H]1C 615282106 WPWJJXQUPNQTJN-WFASDCNBSA-N 311.422 2.942 0 50 DFAA O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccn1 180049942 HHHVTZJTWIANJU-UHFFFAOYSA-N 311.389 2.515 0 50 DFAA OC[C@@H]1CC[C@H](CNCc2cc(Cl)ccc2OC(F)F)O1 292606590 HRAJNRJPUKDMEU-NEPJUHHUSA-N 321.751 2.571 0 50 DFAA CN1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1=O 619064722 MYHYJAJPCHEFNV-IAGOWNOFSA-N 314.429 2.651 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc2c(c1)CCCO2 426425145 FRFQWLSKQHASBE-UHFFFAOYSA-N 313.401 2.666 0 50 DFAA O=C(O)CCNC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 426734553 UIGVMOUYCPEGNL-LBPRGKRZSA-N 310.781 2.704 0 50 DFAA CCC[C@@]1(CO)CCCN(Cc2nnc(-c3cccnc3)o2)C1 91943035 RQRVYNPHQKPODX-QGZVFWFLSA-N 316.405 2.506 0 50 DFAA CCc1ccc(CN2CCc3c(C(=O)NC)csc3C2)nc1 426574744 NXKSJGSULBBFAY-UHFFFAOYSA-N 315.442 2.623 0 50 DFAA CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1nc(C)oc1C 295376794 OTMQCIVGDNCLIR-MRXNPFEDSA-N 308.378 2.629 0 50 DFAA C[C@H](NCCCN1C(=O)c2ccccc2C1=O)c1cccc(O)c1 181486878 UTZQGBLQCVLBBJ-ZDUSSCGKSA-N 324.380 2.729 0 50 DFAA CCOCC1(CNC(=O)[C@H](c2ccccc2C)N(C)C)CCC1 95503717 CJBNQVAXJKHAPB-KRWDZBQOSA-N 318.461 2.921 0 50 DFAA Cc1nc2ccccc2nc1CN1CCC(c2ncon2)CC1 97604076 IBGBSNLQYKSPQM-UHFFFAOYSA-N 309.373 2.701 0 50 DFAA Cc1nc(NC(=O)N2CCC[C@]2(C)Cc2ccccc2)nn1C 297513822 VXKQONZFXVSAII-QGZVFWFLSA-N 313.405 2.753 0 50 DFAA Cc1n[nH]c(CN2CCC[C@@H](COc3ccccc3F)C2)n1 244691656 JGRWVYXBKABTGX-CYBMUJFWSA-N 304.369 2.543 0 50 DFAA C[C@H](CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C1CC1)C(=O)O 299741768 FYJOXYUIMNEHIP-ICCXJUOJSA-N 323.339 2.780 0 50 DFAA CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC23CCCC3)cc1 353873455 CNCSRWPXXDYBKE-HNNXBMFYSA-N 315.417 2.706 0 50 DFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CCCCO1 299772482 ZCQYTWVHAOJODY-OAHLLOKOSA-N 316.426 2.919 0 50 DFAA Cc1c(Cl)ccc(NC(=O)N2CCOC[C@@H]2CO)c1Cl 299776331 JVAMIXILIDGLKU-VIFPVBQESA-N 319.188 2.527 0 50 DFAA Cn1ccc2ccc(CN3CCN(C(=O)C4CCC4)CC3)cc21 670473273 ROTIKHHYULHLCP-UHFFFAOYSA-N 311.429 2.623 0 50 DFAA O=c1c2c(Cl)cccc2ncn1Cc1cc(C2CC2)no1 1459300915 FEFWJOSHEVJGDA-UHFFFAOYSA-N 301.733 2.964 0 50 DFAA CCc1cc(C(=O)N(CC)CCN2CCCCCC2)c(C)nn1 952845734 NMOCIOSBMDOEHC-UHFFFAOYSA-N 318.465 2.686 0 50 DFAA CC(C)n1cnc2ccc(CNC(=O)/C=C/c3cnn(C)c3)cc21 952994320 RBHNZCYXVGSIOR-FNORWQNLSA-N 323.400 2.680 0 50 DFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@H](c1ncon1)C1CC1 952994165 VRVDXGBJRXOFTI-ZFWWWQNUSA-N 315.373 2.803 0 50 DFAA COC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1C[C@]12CCOC2 1875280883 DZQWPZWIRLRGOJ-KSSFIOAISA-N 312.369 2.763 0 50 DFAA Cc1ccc(F)cc1S(=O)(=O)N(C)CC[C@@H]1CCCCO1 952970683 WGZZNLZQAYRYMH-AWEZNQCLSA-N 315.410 2.714 0 50 DFAA Cc1c(N[C@H]2CCOC3(CCOCC3)C2)cnn1CC(C)C 894372696 MOPRBQQETVTBFM-HNNXBMFYSA-N 307.438 2.988 0 50 DFAA O=C(Nc1ccsn1)C1(c2ccc(F)cc2)CCOCC1 1411517538 PFDGWYFPCLTVGE-UHFFFAOYSA-N 306.362 2.969 0 50 DFAA O=C(O)c1cc2c(s1)CN(Cc1noc3c1CCCC3)CC2 1777669808 QVLFSAGXCILCIP-UHFFFAOYSA-N 318.398 2.871 0 50 DFAA O=C(O)[C@H]1CC12CCN(Cc1ccccc1OC(F)F)CC2 405486900 MGUMNVIFPWICFP-GFCCVEGCSA-N 311.328 2.975 0 50 DFAA COC(=O)CCCOC(=O)c1ccc(N2CCCCCC2)nc1 170594012 HWKNNYNZZZGTEC-UHFFFAOYSA-N 320.389 2.572 0 50 DFAA Cc1cc(C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)co1 188900774 OAZBDNPTKPIEAQ-UHFFFAOYSA-N 315.373 2.708 0 50 DFAA CNc1cc(N2CCC[C@@H]2CN[C@@H]2CCC23CCCC3)ncn1 189161725 TYQVBMGKTODCOF-HUUCEWRRSA-N 315.465 2.800 0 50 DFAA CCc1nsc(N[C@H]2CCCO[C@@H]2c2nccn2CC)n1 190415803 WBHCNGQDVVWOTB-JQWIXIFHSA-N 307.423 2.649 0 50 DFAA Cc1cccc(C)c1C(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 585087843 WOZVTCKEERLJMB-JKSUJKDBSA-N 313.401 2.687 0 50 DFAA CCc1c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cnn1C 684775368 IXRDGFAOQTWZQU-GXTWGEPZSA-N 303.793 2.922 0 50 DFAA Cn1ccnc1CCN1CCC[C@@H](C(=O)c2cccs2)C1 1506411673 JKWMZJKQBQGWEL-CYBMUJFWSA-N 303.431 2.619 0 50 DFAA Cc1cc(NC(=O)CCN2CCCCC2=O)n([C@@H](C)C2CC2)n1 1506421586 QXHXUBUQXXPIMR-ZDUSSCGKSA-N 318.421 2.504 0 50 DFAA CCn1ccc(CN2CCCN(Cc3cccs3)CC2)n1 1506408229 CNYYDLNGFYHISX-UHFFFAOYSA-N 304.463 2.672 0 50 DFAA CCc1cnc(C)nc1N(C)CCOc1ccccc1OC 1529161446 JUWVGQZCAZKYAJ-UHFFFAOYSA-N 301.390 2.871 0 50 DFAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)n1C 1604680617 ZXDAFZGCNRSISE-GXTWGEPZSA-N 312.369 2.742 0 50 DFAA O=c1oc(CN2CCOC[C@@H]2C2CCC2)c(-c2ccccc2)o1 1615548334 DAECZWLBJLXDMT-OAHLLOKOSA-N 315.369 2.901 0 50 DFAA CCCCCc1nc(-c2cnc(C)cn2)n([C@H]2CCOC2)n1 1772812938 SRMWMPRRJMZNRB-ZDUSSCGKSA-N 301.394 2.738 0 50 DFAA Cc1cccn2ncc(C(=O)NCCCN(C)C3CCCC3)c12 1772700562 GUMSCNFPWHKDPO-UHFFFAOYSA-N 314.433 2.637 0 50 DFAA O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccccc2)C1 14494355 CPHKMWCLCOHHEI-CQSZACIVSA-N 312.344 2.813 0 50 DFAA O=C(c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1 18254943 GEOUZRZOLPSTCW-UHFFFAOYSA-N 324.409 2.654 0 50 DFAA CC1=CCC[C@@H](C)[C@@H]1CNCc1cn(C(C)C)c(=O)nc1O 1653016942 MFVWKOZLYKZCOW-UKRRQHHQSA-N 305.422 2.612 0 50 DFAA Cn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1Cl 5448530 YCAXBOWJTHAIBO-UHFFFAOYSA-N 322.821 2.506 0 50 DFAA CCC[C@@]1(CO)CN(Cc2ccnc3ccccc23)CC[C@@H]1O 1857718171 BNBQHKKEZGOWNW-OALUTQOASA-N 314.429 2.580 0 50 DFAA Cc1nn2c(CN[C@@H]3CCOC[C@H]3C)c(C(C)C)nc2s1 330338364 VHRZNINCPDDAKH-ZYHUDNBSSA-N 308.451 2.737 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2c(C)cc(O)nc2C)c1 1875248343 LRMIQYHGKDNTQC-UHFFFAOYSA-N 302.330 2.674 0 50 DFAA CC1=C(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1 225541409 VSLNIXLEBROZKU-GOEBONIOSA-N 305.349 2.544 0 50 DFAA O=C(O)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCC2 314506627 VGUUWWLAHXUBKO-INIZCTEOSA-N 301.386 2.574 0 50 DFAA CCOc1ccc(NC(=O)[C@H](C)Sc2nccn2C)cc1 4843033 UWOWAJUQYXVHCE-NSHDSACASA-N 305.403 2.938 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)n2cc(C)nc2CC)c1 6700608 MNSPYOXFKWSTIG-UHFFFAOYSA-N 308.403 2.562 0 50 DFAA CNC1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)CC1 237151783 JPOSCYISJVTSBA-UHFFFAOYSA-N 309.413 2.881 0 50 DFAA Cc1nc(-c2cccc(C(=O)N3CC[C@@H](C(=O)O)C3)c2)cs1 237811022 AGWHFSXUZBVTAV-CYBMUJFWSA-N 316.382 2.665 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1N(C)C)C2 248090602 XTGFBOOJVDFWON-HOTGVXAUSA-N 315.461 2.699 0 50 DFAA N[C@@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 158213186 UYSKPLSIPWVBFL-CYBMUJFWSA-N 314.364 2.528 0 50 DFAA CCc1oc(C(=O)N(C)c2ccc(OCC(=O)O)cc2)cc1C 263062005 ONIKMRZVWGQFDK-UHFFFAOYSA-N 317.341 2.890 0 50 DFAA Cc1c(Cl)ccc2c(CC(=O)N[C@H]3C[C@H](C(=O)O)C3)coc12 902666578 LECVZXITYRYDBE-HOMQSWHASA-N 321.760 2.917 0 50 DFAA C[C@H]1CCN(C[C@H]2CCCNC2)CCN1Cc1ccccc1 240551526 GUKIXORTYCIUMN-HKUYNNGSSA-N 301.478 2.582 0 50 DFAA Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cnnc2ccccc12 2325758386 XUASVUSBBCLMSY-KRWDZBQOSA-N 321.384 2.649 0 50 DFAA CCN(C)[C@H](C)CCN=c1[nH]oc(-c2ccccc2)c1C(=O)O 2356144343 SYUXIYOAXXDFGC-GFCCVEGCSA-N 317.389 2.604 0 50 DFAA CCOc1ccc(CNC(C)(C)CO)cc1Br 10473851 RETSJUMFPZGEDX-UHFFFAOYSA-N 302.212 2.708 0 50 DFAA O=Cc1cn(CCC(=O)O)nc1-c1cccc(Br)c1 4641487 IIKCKTQNZCORGZ-UHFFFAOYSA-N 323.146 2.600 0 50 DFAA CCCCN(Cc1ccco1)C(=O)CCN1CCCCC1=O 55071296 LHNXUYMVHASYAW-UHFFFAOYSA-N 306.406 2.811 0 50 DFAA O=C1CC[C@@H](N2CCOCC2)CCN1Cc1ccc(Cl)cc1 20149172 PMNJAVJTRQDKFI-MRXNPFEDSA-N 322.836 2.553 0 50 DFAA CCCN(Cc1ccc(OC)cc1)C(=O)CN1C[C@@H]2CC[C@@H]1C2 102801039 KFOZNTIKUNWTNG-IAGOWNOFSA-N 316.445 2.918 0 50 DFAA CCCc1cc(C(=O)N(CCOC)Cc2ccccc2C)[nH]n1 55403037 MFSIZFDRIYSGKI-UHFFFAOYSA-N 315.417 2.959 0 50 DFAA CCOc1cc(C=O)ccc1OCCCN1C[C@@H](C)O[C@H](C)C1 20639731 RALATXSQTIHQKW-HUUCEWRRSA-N 321.417 2.776 0 50 DFAA Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(F)cc1 67758862 JEKPWOLZJQMYNY-GFCCVEGCSA-N 319.380 2.774 0 50 DFAA COc1cccc2c1OC[C@H](Nc1ccc3c(c1)CC(=O)N3)C2 20542712 ABKRISSGRSGGRO-CQSZACIVSA-N 310.353 2.605 0 50 DFAA Cc1cccc(NC(=O)[C@H]2CCCN(C[C@@H]3CCCCO3)C2)n1 122133599 MOKGANLULYTJQH-HOTGVXAUSA-N 317.433 2.610 0 50 DFAA COc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3)c(Cl)c1OC 65505003 HBSBHXDEBIEBKH-OLZOCXBDSA-N 310.825 2.684 0 50 DFAA CC(C)n1cnc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 328586637 ODXOQOMWGZEJTJ-PBHICJAKSA-N 316.449 2.553 0 50 DFAA CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)[C@@H]2CCCN2C1=O 328595138 LUDNCDOJNNXNBP-STQMWFEESA-N 318.373 2.582 0 50 DFAA Cc1ccc2oc(=O)n(Cc3nc(-c4ccccc4)n[nH]3)c2c1 65381721 BWOFSYSXSKNVLP-UHFFFAOYSA-N 306.325 2.736 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N(C)Cc1cc(C(C)C)no1 65500800 JSGVTZSMZAOIJK-UHFFFAOYSA-N 318.421 2.740 0 50 DFAA C/C=C(\C)CN1CCC(CNC(=O)c2cnc(C)nc2C)CC1 67908546 ZUNUAIVNMWSECW-WLRTZDKTSA-N 316.449 2.501 0 50 DFAA C[C@@H]1CN(Cc2noc(C(C)(C)C)n2)c2ccccc2NC1=O 174178368 UGUCXOOHJNKRJK-LLVKDONJSA-N 314.389 2.962 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)NCCc3ccccc3)C2)cc1 5029145 IWFSEVBMHNRQPV-GOSISDBHSA-N 324.380 2.547 0 50 DFAA biogenic CCN(C)C(=O)CCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 130491434 WRKKQYYKSYEAAQ-OAHLLOKOSA-N 320.408 2.589 0 50 DFAA CC1(C)C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CCc3nncn3C2)C1 333529284 XULQUNLETAIJML-CVEARBPZSA-N 324.428 2.840 0 50 DFAA CC(C)(C)c1ccncc1CN1C(=O)[C@H]2CCCCN2C1=O 333927968 WWEBIAYHVMLYGU-CQSZACIVSA-N 301.390 2.696 0 50 DFAA COCCCN(Cc1ccc(OC)c(F)c1)C1CCN(C)CC1 72420472 OTLBCWGXJHTZRT-UHFFFAOYSA-N 324.440 2.767 0 50 DFAA Cc1ccn(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 285592602 QXKZLROAAVYFRT-RKVPGOIHSA-N 304.434 2.879 0 50 DFAA C[C@@H]1CN(CCN2CCC[C@H]2Cc2cccc(F)c2)CCO1 239366965 AGZNZVMPVPWWDT-QAPCUYQASA-N 306.425 2.553 0 50 DFAA C[C@H](OCc1ccccc1)C(=O)N(C)CCCN1CCCC1 253418363 OPHDFBNAAKGGFT-INIZCTEOSA-N 304.434 2.536 0 50 DFAA COc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1OC 155513353 QZWNFYBMVLDWQY-UHFFFAOYSA-N 324.340 2.741 0 50 DFAA C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C[C@@H]1C 341644813 GDZXLHWTPBXPCT-FRRDWIJNSA-N 322.840 2.611 0 50 DFAA Cc1cc(NC2CCN(Cc3ccncc3)CC2)n2nccc2n1 72433096 RQOQYQQZJRNTLZ-UHFFFAOYSA-N 322.416 2.509 0 50 DFAA CCOc1ccccc1[C@@H](C)NC(=O)c1cc(C(=O)O)co1 263534503 NXPFMSBKRRSHHR-SNVBAGLBSA-N 303.314 2.868 0 50 DFAA CN(C)c1cccc(CNC(=O)Nc2ccc3ccn(C)c3c2)n1 179752781 KZRKZHZGFPMTOO-UHFFFAOYSA-N 323.400 2.961 0 50 DFAA O=C(c1cccnc1)N1CCc2[nH]nc(Cc3ccccc3)c2C1 48428300 GWXAZJJSPJWALH-UHFFFAOYSA-N 318.380 2.594 0 50 DFAA CCc1ccc([C@@H]2CCCCN2C(=O)c2cnnn2CC)o1 293241527 RKJSEKLVFFFJLD-ZDUSSCGKSA-N 302.378 2.821 0 50 DFAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12 49546415 OEJUAVGLHJLCAO-UHFFFAOYSA-N 323.352 2.671 0 50 DFAA CN(C)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)CC1 180357838 ONQMZGFHAOMZBM-UHFFFAOYSA-N 322.399 2.939 0 50 DFAA COCCOC1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95531761 HLSKTQKLLWZFOH-MRXNPFEDSA-N 319.445 2.755 0 50 DFAA COc1cccc2c1OC[C@@H](Cc1ccc(NC3CC3)nn1)C2 95364185 FAGSBEMCPLNKNS-GFCCVEGCSA-N 311.385 2.853 0 50 DFAA Cc1ccc([C@H](C(=O)NC(C)(C)CN2CCCC2)N(C)C)cc1 95358947 FSQVMPIHGCHPOI-QGZVFWFLSA-N 317.477 2.588 0 50 DFAA CCc1cccc([C@@H](C(=O)O)N(C)Cc2c(C)n[nH]c2C)c1 95378599 CNLSFXKIMXZOQH-INIZCTEOSA-N 301.390 2.847 0 50 DFAA Cc1cc(C(F)(F)F)cc(=O)n1CC(=O)N1CCCCCC1 95376570 LDPJYVRTNSCPSM-UHFFFAOYSA-N 316.323 2.578 0 50 DFAA CCCn1cc(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)cn1 91563140 LWVZIROOLYVSJP-KRWDZBQOSA-N 314.433 2.521 0 50 DFAA CCn1nc(C)c(CCNC(=O)c2cc(CC(C)C)no2)c1C 91657004 DQOUHATYWAJHEW-UHFFFAOYSA-N 318.421 2.679 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1Cc1nc([C@H]2CCOC2)no1 96130919 HVHXVSRZGIVKRB-AWEZNQCLSA-N 324.384 2.967 0 50 DFAA CC(C)[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@H]1N(C)C 95375423 CMJCELLRWIMRMH-JKSUJKDBSA-N 314.433 2.755 0 50 DFAA CC(C)CCN1C[C@]2(CCCN(C(=O)NC(C)C)C2)CCC1=O 91951107 SNZTWONBFRTJAQ-SFHVURJKSA-N 323.481 2.855 0 50 DFAA CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCc1csc2ccccc12 182667530 KFKOXIINUCHQEQ-GOEBONIOSA-N 323.483 2.999 0 50 DFAA O=C(Nc1ccnnc1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 297397765 LDCSLNACOCTOQV-CQSZACIVSA-N 318.764 2.815 0 50 DFAA COc1ccc(OCCN2CCCC3(CCOCC3)C2)cc1 244811366 SBNGHJKDHKUCIX-UHFFFAOYSA-N 305.418 2.967 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@@H]1[C@H]2[C@H](O)C[C@@]2(C)CCC[C@H]12 257345521 ABAPPEYCWOHADP-CXDKXSKJSA-N 306.446 2.930 0 50 DFAA Cc1n[nH]c(C2CC2)c1C(=O)NCc1ccc2c(c1)CCCO2 299796156 LSZRKDZPIXTXGX-UHFFFAOYSA-N 311.385 2.851 0 50 DFAA O=C(O)CCc1cncc(NC(=O)OCc2ccccc2)c1 390822815 KOMPMHRRFCMZBI-UHFFFAOYSA-N 300.314 2.848 0 50 DFAA Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCO2)c(Cl)cc1F 670434663 JEXONKMJDGSLOR-JTQLQIEISA-N 321.801 2.587 0 50 DFAA Cc1cc(CN[C@H](C)c2ccncc2C)nc(N2CCCC2)n1 1875285420 MWMMTQWJVHFJPS-OAHLLOKOSA-N 311.433 2.939 0 50 DFAA CC(C)c1cccc(CNC(=O)[C@]2(F)CNC[C@H]2C2CC2)c1 1875353945 LMAWJUAAPOKYGA-WMZOPIPTSA-N 304.409 2.764 0 50 DFAA O=C(Nc1ccccn1)c1ccc(OC[C@H]2C[N@]2CC2CC2)cc1 1875384656 HZHMRJGGXMSZJC-ZHRRBRCNSA-N 323.396 2.807 0 50 DFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(Cl)cc2Cl)cn1 1875379135 NQTYWMQSMWVALO-CWTRNNRKSA-N 312.200 2.990 0 50 DFAA C1=C[C@@]2(CCCN(c3ncnc4[nH]cnc34)C2)Oc2ccccc21 896884856 BDSMQXJLZQAWQZ-GOSISDBHSA-N 319.368 2.798 0 50 DFAA COCC1(O)CCN(C(=O)Nc2ccc(Cl)cc2C)CC1 270477575 RQHWALUGQPUBJJ-UHFFFAOYSA-N 312.797 2.654 0 50 DFAA CCC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21 271011899 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320.462 2.844 0 50 DFAA CC(C)Nc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cn1 330230967 QTRDRWSYJKMTPQ-UHFFFAOYSA-N 313.405 2.645 0 50 DFAA CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(-c2cc[nH]n2)s1 331659255 XWPRIFVSVXJPDM-ZDUSSCGKSA-N 305.403 2.514 0 50 DFAA O=C(NCCn1cccn1)N[C@H]1CCCC[C@H]1CC(F)(F)F 454607120 DBUDONANHSWFNA-RYUDHWBXSA-N 318.343 2.694 0 50 DFAA CCN1CC[C@H](N(C)C(=O)c2nnc(C(C)(C)C)s2)[C@H](C)C1 390833096 CCHQQVVJIBWMRU-NEPJUHHUSA-N 324.494 2.638 0 50 DFAA O=C(O)c1ccnc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c1 910520332 RTGADYXKVHUFIK-LRDDRELGSA-N 308.337 2.854 0 50 DFAA O=c1c(-c2noc(-c3ccc4c(c3)CCO4)n2)cccn1C1CC1 924180294 YMQOQXVOKLNLFX-UHFFFAOYSA-N 321.336 2.835 0 50 DFAA C=CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 1120553100 UJBKLPULHFTNAY-OAHLLOKOSA-N 316.401 2.993 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccnc(-c2ccco2)c1)c1ncon1 935670393 SJZAXQRMDCCAOE-CQSZACIVSA-N 312.329 2.852 0 50 DFAA Clc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)s1 55269487 RQMLXSKFBYLKTL-NSHDSACASA-N 308.838 2.950 0 50 DFAA 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DFAA CCCCN(C)c1ccc(C(=O)N[C@H](C)c2cc(O)n[nH]2)cc1 585128232 WRKDHXLWPRDAIO-GFCCVEGCSA-N 316.405 2.843 0 50 DFAA Cc1[nH]c2ccccc2c1NC(=O)[C@@H](C)OC[C@H]1CCCO1 585127246 UPNCGUALCAEWPI-CHWSQXEVSA-N 302.374 2.999 0 50 DFAA CCO/C=C/c1nc(-c2cccc(CN3CCOCC3)c2)no1 585133585 MQFMZJPFADMFIB-RMKNXTFCSA-N 315.373 2.576 0 50 DFAA CCC(CC)(CNC(=O)[C@H]1CCOc2c(F)cccc21)C(=O)O 1604996904 QYGKQQZGTXUQBB-LBPRGKRZSA-N 323.364 2.699 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@@H](NCc2cnccc2Cl)C1 1616034532 IDKOSUYPSOBSSI-NQCMUKECSA-N 300.855 2.904 0 50 DFAA C[C@@H](Cn1cccn1)NC1CCN(c2ccc(F)c(F)c2)CC1 1506397577 WLPFIYSRNBPXNZ-ZDUSSCGKSA-N 320.387 2.808 0 50 DFAA CC(C)(C)C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529177664 CNSSGOJWTWAXNX-PBHICJAKSA-N 312.413 2.955 0 50 DFAA Cc1cc(C(=O)N2CCCN([C@H]3CCSC3)CC2)c(C)o1 1775979324 KWGIIKLASDDGMZ-AWEZNQCLSA-N 308.447 2.550 0 50 DFAA CC(C)N1C[C@@H](CN(C)Cc2nc3ccccc3[nH]2)CCC1=O 1772819816 UOBRAHRISPOGLE-CQSZACIVSA-N 314.433 2.642 0 50 DFAA 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COc1ccc([C@@H](C)Cn2cc(-c3c[nH]ccc3=N)nn2)cc1 2325857171 RQAPCRMQOSETCR-LBPRGKRZSA-N 309.373 2.565 0 50 DFAA O=C(N[C@H](C(=O)O)c1ccsc1)c1ccc(Cl)cc1O 2325875009 DCDHOLLMYNUKTB-NSHDSACASA-N 311.746 2.663 0 50 DFAA O=C(N[C@H](c1ccccn1)C1CC1)c1ccc2c(O)ncnc2c1 1456080626 PDPNPZMIOIMNMK-INIZCTEOSA-N 320.352 2.612 0 50 DFAA Cc1sc2ncn(CC(=O)O)c(=O)c2c1-c1ccc(F)cc1 148208 OKUGJVAOZNLPPJ-UHFFFAOYSA-N 318.329 2.657 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 238794 PPBFHDWNOYRJBV-UHFFFAOYSA-N 308.334 2.585 0 50 DFAA CCOC(=O)c1c(N)sc(C(=O)N2CCCCCC2)c1C 260513 JJLSXJUIHYRBOV-UHFFFAOYSA-N 310.419 2.832 0 50 DFAA O=C(O)/C=C/c1cccc(NS(=O)(=O)c2cccs2)c1 440825 YEDJYLSAYFEXFD-VOTSOKGWSA-N 309.368 2.647 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 609891 UVGFGTYKIKFHHF-FZMZJTMJSA-N 306.362 2.552 0 50 DFAA CCCN(CCC)CCOC(=O)c1ccc(OC)c(OC)c1 3002729 WPPDOQHDCDUSLO-UHFFFAOYSA-N 309.406 2.983 0 50 DFAA O=C(CSc1ncn[nH]1)Nc1cc(Cl)cc(Cl)c1 3529998 GSJAVNMGLBQYSZ-UHFFFAOYSA-N 303.174 2.842 0 50 DFAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 4321887 QXLOVPXUZAOKBL-CQSZACIVSA-N 318.373 2.777 0 50 DFAA Cc1ccc(O)c(NC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 5029662 PXXODVOUMGFMKN-INIZCTEOSA-N 314.316 2.971 0 50 DFAA O[C@@H](COc1ccc2c(c1)CCC2)Cn1cnc2ccccc21 6110666 OZCCXUVVMPVMIB-MRXNPFEDSA-N 308.381 2.965 0 50 DFAA S=C(NNC(=S)Nc1ccccc1)Nc1ccccc1 6514414 LUXQOROGFLZHGI-UHFFFAOYSA-N 302.428 2.875 0 50 DFAA O=C([C@@H]1CC(c2ccccc2F)=NO1)N1CCc2ccccc2C1 6738498 NBIWNBWTQWIGOO-SFHVURJKSA-N 324.355 2.904 0 50 DFAA COc1ccccc1NS(=O)(=O)c1cc(F)ccc1OC 10301987 JUFGGYODZOHXHO-UHFFFAOYSA-N 311.334 2.644 0 50 DFAA CC(C)CN1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 12595394 LNWZHJVKJPDIEC-QGZVFWFLSA-N 312.417 2.931 0 50 DFAA O=C(NCC1CCCCC1)c1cn(Cc2ccccc2F)nn1 12710545 UIGNLOXRHHDORA-UHFFFAOYSA-N 316.380 2.776 0 50 DFAA O=C(c1cc(CCc2ccccc2)no1)N1CCSCC1 15070762 REVFETRNCZXQEF-UHFFFAOYSA-N 302.399 2.649 0 50 DFAA CCCN1CCC(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)CC1 16604726 XKUQGAKYVCBKIY-QGZVFWFLSA-N 322.424 2.974 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 16697387 VCCUTXNUDLVCTI-CQSZACIVSA-N 320.389 2.922 0 50 DFAA in-vitro O=C(c1ccncc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19789969 MRYNSDJMTHTZEW-UHFFFAOYSA-N 315.804 2.693 0 50 DFAA O=c1[nH]nc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27320135 BKXMIHOSZZYXDH-UHFFFAOYSA-N 310.744 2.565 0 50 DFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1 32771292 JGSILNVPHJEAHE-AWEZNQCLSA-N 310.350 2.648 0 50 DFAA Fc1cnc(Br)cc1I 65337480 QQLWZJPMEHSISU-UHFFFAOYSA-N 301.884 2.588 0 50 DFAA in-vitro CCCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72163558 JLPVHVFGUBPPBQ-ATZDWAIDSA-N 314.429 2.687 0 50 DFAA CCc1cc(N2CCC[C@](CO)(CC(C)C)C2)n2nccc2n1 72454788 XNIYPCZSTMSMCG-SFHVURJKSA-N 316.449 2.917 0 50 DFAA CC(C)[C@@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)N(C)C 72476098 XOTTVWFRPZZAJQ-QGZVFWFLSA-N 320.477 2.706 0 50 DFAA CC(C)(O)CCc1ccc(C(=O)N2CCc3ncccc3C2)cc1 72476269 HUPOWHYYXSIXOH-UHFFFAOYSA-N 324.424 2.984 0 50 DFAA COC(=O)CCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 77375019 ZLWARZWLNTVMGR-UHFFFAOYSA-N 319.401 2.708 0 50 DFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(CCO)CC2)C1 91585940 ABESPZMGUGLDLE-SFHVURJKSA-N 302.462 2.570 0 50 DFAA CCOc1ccc(NC(=O)N(C)CCc2noc(C)n2)c(F)c1 96141555 GOGGFVIHJFGZLR-UHFFFAOYSA-N 322.340 2.622 0 50 DFAA CCc1nc2cc(NC(=O)COCC(F)(F)F)ccc2o1 129989480 WVEYOMGJHLPSIQ-UHFFFAOYSA-N 302.252 2.908 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@H]2CCCS2)c1 134557947 BSDOZCRKADEHBB-GFCCVEGCSA-N 320.443 2.699 0 50 DFAA COc1cccc2cc(C(=O)N3CCCC[C@H]3C(=O)O)oc12 136529563 WQSVKTNFERLPMR-NSHDSACASA-N 303.314 2.521 0 50 DFAA Cc1cccc(OC2CCN([C@@H](C)CCn3cccn3)CC2)n1 154394082 KFXNTHGKKWXDRV-INIZCTEOSA-N 314.433 2.909 0 50 DFAA C[C@H](C1CC1)n1cc(NC(=O)c2ncn(-c3ccccc3)n2)cn1 186429176 YKTUXEFYAIIQFH-GFCCVEGCSA-N 322.372 2.687 0 50 DFAA CC1(C)[C@H](NC(=O)c2ccnnc2)C[C@H]1OCc1ccccc1 186542691 IUCRGFNKZGAMDO-HZPDHXFCSA-N 311.385 2.590 0 50 DFAA Cc1ccc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)o1 191772937 JWXKWSAANWJXID-INIZCTEOSA-N 302.349 2.618 0 50 DFAA CC(=O)N[C@H]1CN(CCCOCc2ccccc2)C[C@@H]1C(C)C 222138585 DIJPRDFKQHDFNO-MOPGFXCFSA-N 318.461 2.686 0 50 DFAA O=C(NCCC1=CCCCC1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 222442900 DBEYVSDJDCLIOV-YHUYYLMFSA-N 303.402 2.906 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@H](C)C3)[nH]n2)cc1C 225443774 GTAWUDCPMVDXQQ-DYVFJYSZSA-N 313.401 2.536 0 50 DFAA C[C@@H](NC(=O)N1CCSc2ncccc21)c1cccnc1 225513232 LHYLOLYHHCICND-LLVKDONJSA-N 300.387 2.860 0 50 DFAA CCc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)s1 230067212 UCIIXLTZISPICU-CHWSQXEVSA-N 315.460 2.643 0 50 DFAA CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)s1 236635603 XYOIUHDEBHPETF-MLRMMBSGSA-N 308.403 2.529 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 237948049 UGFZQMBDUXWTGR-ZDUSSCGKSA-N 323.364 2.698 0 50 DFAA Cc1ccc(Cl)cc1NCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 239159625 MMIGDHZRWZNCGF-UOVKNHIHSA-N 316.788 2.825 0 50 DFAA O[C@H](CN1CCC[C@H]1c1ccccc1Cl)Cn1cccn1 240444241 FWVKVTGBMPRNOD-CJNGLKHVSA-N 305.809 2.735 0 50 DFAA O=C1CCCCN1CCC(=O)N1CC[C@H]1c1ccc(F)cc1 244734859 NNBVBRODOAGSHQ-HNNXBMFYSA-N 304.365 2.502 0 50 DFAA CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245231301 BHUWYHGAMQJNGC-OVYBAWALSA-N 309.365 2.643 0 50 DFAA CSCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 247536008 QLECXBFMWYBPKG-ZBFHGGJFSA-N 322.449 2.612 0 50 DFAA CC(C)[C@H](N[C@@H]1CC[C@@H](C)[C@H](C)C1)c1nc(-c2nnc[nH]2)no1 253370683 UWNYRHKNDVSMPA-LPWJVIDDSA-N 318.425 2.966 0 50 DFAA CCc1cc(=O)oc2cc(O[C@@H](C(=O)N(C)C)C(C)C)ccc12 253419693 RAVUAUIOEMDKEJ-QGZVFWFLSA-N 317.385 2.847 0 50 DFAA CCn1cnc2c(N3CC(C)(C)[C@@H]3c3cccnc3)ncnc21 253428451 ANLGFUIUYOCIGT-AWEZNQCLSA-N 308.389 2.829 0 50 DFAA O=S1(=O)CC[C@@H](CN2CCC[C@@H]2c2ccccc2Cl)C1 253432481 KNSPGYUFKOUQSK-SWLSCSKDSA-N 313.850 2.912 0 50 DFAA CO[C@H](CN)CC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 262838251 IPPVJKMOFAPOCO-IUCAKERBSA-N 305.205 2.534 0 50 DFAA C[C@@H](C(=O)O)c1cccc(NC(=O)c2cc(C3CC3)on2)c1 263197427 JKXAKIWIMZSXIA-SECBINFHSA-N 300.314 2.992 0 50 DFAA CC[C@@H](C)[C@@H](C(=O)NCc1csc(=O)[nH]1)c1ccccc1 268730083 LFTKUYMMRCPFIN-BXUZGUMPSA-N 304.415 2.883 0 50 DFAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC1CCC(C(=O)O)CC1 268924894 DWHBSZRMTKTDFV-GMEATFMZSA-N 301.386 2.858 0 50 DFAA c1ncn(-c2ccc(CN[C@H]3CCCC34CCOCC4)cc2)n1 282810914 XXLOWFXRVJLXOI-KRWDZBQOSA-N 312.417 2.706 0 50 DFAA O=c1[nH]nc([C@@H]2CCCN([C@H]3CCc4c(Cl)cccc43)C2)o1 284444764 ZQSSKKWEHACWAO-YGRLFVJLSA-N 319.792 2.883 0 50 DFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(C(C)C)c(Cl)c2)C1 284876341 QSJDXESJJIFSSS-QWHCGFSZSA-N 311.809 2.685 0 50 DFAA COC[C@@H]1CN(C(=O)c2cc3c(F)cccc3[nH]2)CC(C)(C)O1 285559480 RFFNZWCKHPLGLQ-NSHDSACASA-N 320.364 2.573 0 50 DFAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 299763515 XITKXWWKDBYFCN-RYUDHWBXSA-N 319.188 2.919 0 50 DFAA Nc1ncnc(N2CC[C@@H](Oc3cccc(F)c3)C2)c1Cl 302841205 LYVLXGWNURZDJO-LLVKDONJSA-N 308.744 2.509 0 50 DFAA C[C@@](O)(CNc1ccnc2cc(Br)cnc12)C1CC1 311971797 PBEKDHCKDLHKOE-CQSZACIVSA-N 322.206 2.965 0 50 DFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cc[nH]c1 328637704 ORWUYOXOXXPZPP-KBPBESRZSA-N 321.421 2.761 0 50 DFAA CCCc1nc(C)c(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)o1 329120117 PPHYIRVHIAJCPD-SWLSCSKDSA-N 306.406 2.965 0 50 DFAA CC(C)c1nnc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)n1C 331593078 MBMXMGJIJVAGRN-HDMKZQKVSA-N 320.481 2.844 0 50 DFAA C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC(=N)O)CC2)CCO1 332910080 XUTTZSQUNKDNAV-STQMWFEESA-N 311.426 2.539 0 50 DFAA O=C(NCc1coc2ccccc12)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333792428 DQCLXAPAUPDGFZ-YALNPMBYSA-N 310.353 2.528 0 50 DFAA O[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ncc(C3CC3)o2)C1 340728779 PGYDTOBDPZNLRW-CABCVRRESA-N 302.349 2.999 0 50 DFAA Fc1cccc(F)c1C1=CCN(c2ncnc3n[nH]cc23)CC1 350807797 VVLPDUWNVQQFRP-UHFFFAOYSA-N 313.311 2.925 0 50 DFAA CC(C)(C)c1noc(CN[C@@H]2CCc3ccccc3OC2)n1 374624701 ZZHUXNZDEPHKJL-CYBMUJFWSA-N 301.390 2.851 0 50 DFAA O=C(C[C@@H]1CCCN1C(=O)C[C@@H]1CCOC1)c1ccccc1 378065087 ZHSNQRCCORXTLP-HOCLYGCPSA-N 301.386 2.677 0 50 DFAA CC(C)[C@H]1N(c2ccc(S(C)(=O)=O)cn2)CC12CCCC2 408456742 KWVDZQUNJPOZLC-OAHLLOKOSA-N 308.447 2.890 0 50 DFAA CN(Cc1ccccc1)C1(CNC(=O)C2CCOCC2)CCC1 408519799 BGASQMSXXKJQHN-UHFFFAOYSA-N 316.445 2.584 0 50 DFAA CC1(C)C[C@@H](C(=O)Nc2nncn2C2CC2)c2ccccc2O1 412330451 BPTAACCVPMPBOQ-CYBMUJFWSA-N 312.373 2.896 0 50 DFAA C[C@@H](c1cccc(-c2[nH][nH]c3ncnc(=N)c2-3)c1)N1CCCC1 426509369 MCQLKGNZUWHVPX-NSHDSACASA-N 308.389 2.541 0 50 DFAA Cc1nc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[nH]c1C 585124004 ASALSFOXJSTZLV-CYBMUJFWSA-N 308.426 2.516 0 50 DFAA O=C(c1csc(CO)n1)N1CCC[C@H]1Cc1ccc(F)cc1 585135352 CTJNKSQWGYWYNZ-ZDUSSCGKSA-N 320.389 2.622 0 50 DFAA CNc1nc(C)cc(C(=O)N[C@@H](C2CCCC2)C2CCC2)n1 622737380 YTQHGVYEONSWBA-HNNXBMFYSA-N 302.422 2.915 0 50 DFAA CCn1nc(-c2ccc(C)o2)nc1C[C@@H]1NC(=O)c2ccccc21 670446966 NDVVNBRUTGXCBE-AWEZNQCLSA-N 322.368 2.894 0 50 DFAA CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NCC(C)(C)C)cc1 685943462 PZBZWZUOVHPYAG-NRFANRHFSA-N 311.451 2.859 0 50 DFAA CC(C)c1ccc(N2C[C@@H](C(=O)NC3CCC3)CC2=O)cc1 822264146 BCQILCQZFIPMNP-AWEZNQCLSA-N 300.402 2.832 0 50 DFAA CC(C)c1nccn1[C@H](C)C(=O)NCCOc1ccccc1F 827654198 FWOBLJYCYFTERT-CYBMUJFWSA-N 319.380 2.902 0 50 DFAA COC(=O)c1cnc(N[C@H](C)c2nccc(C)n2)c(Cl)c1 882469991 XLDUMKOVZBBHJJ-SECBINFHSA-N 306.753 2.793 0 50 DFAA Cc1nnccc1C(=O)Nc1nc2ccccc2n1CC1CC1 900665148 DGFNNPZUTPXCHD-UHFFFAOYSA-N 307.357 2.797 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C(=O)N(C)C 952967722 NGNJPTFTAKJALM-LBPRGKRZSA-N 302.374 2.692 0 50 DFAA Cc1nc([C@@H](C)NC(=O)c2c(-c3cccs3)noc2C)no1 1346919481 CZHFTIQHTYZFQL-SSDOTTSWSA-N 318.358 2.894 0 50 DFAA CC(C)(CNC(=O)N[C@H]1CCC(F)(F)C1)C1=CCOCC1 1348430010 ZDEIFYZTTFKRGM-LBPRGKRZSA-N 302.365 2.846 0 50 DFAA Cc1cccc2c1CCN(C(=O)[C@@H]1CCn3c(cnc3C)C1)C2 1364047402 GDDDPQCZMIFPHY-OAHLLOKOSA-N 309.413 2.647 0 50 DFAA Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(C)C3)s2)cc1 1506425381 MAGBPDDJTHHQIO-CYBMUJFWSA-N 316.430 2.794 0 50 DFAA Cc1cccc(F)c1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529102155 YOQDIZIKCBXVOY-GDBMZVCRSA-N 314.360 2.517 0 50 DFAA Cc1oc(CN[C@H]2CCN(c3ccccc3F)C2)cc1C(=O)O 1600852237 PKNCRTSNVFFDCY-LBPRGKRZSA-N 318.348 2.794 0 50 DFAA C[C@@H]1CCCN(C(=O)CCNc2nccc(C(C)(C)C)n2)C1 1647637006 URWATNVXGPIFSF-CYBMUJFWSA-N 304.438 2.835 0 50 DFAA C[C@]12C[C@@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1772813718 QKFJZMVSJLIHII-BDJLRTHQSA-N 307.777 2.522 0 50 DFAA CC(C)C1CCC(CNC[C@@H]2CCO[C@@H]2c2nc[nH]n2)CC1 1775986636 FMHKWDFHCUPJCA-CKUJCDMFSA-N 306.454 2.934 0 50 DFAA O[C@]12C[C@H]1CCN(Cc1c[nH]nc1-c1cccc(Cl)c1)C2 1875287138 WFHDOMTZDIJCDL-CJNGLKHVSA-N 303.793 2.687 0 50 DFAA C[C@@H](O)[C@H]1CCN(C(=O)c2cccc(-c3ccc(CN)cc3)c2)C1 1875315356 QGSYEWHJQJINPE-KUHUBIRLSA-N 324.424 2.655 0 50 DFAA CO[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1C 1875369290 FQVBNAGZAJVCCU-NXEZZACHSA-N 303.189 2.994 0 50 DFAA C=CC(=O)N(Cc1cccc(C)c1F)[C@@H]1CCN(C2CC2)C1 1875382577 HNABDTRRBGWXGK-MRXNPFEDSA-N 302.393 2.885 0 50 DFAA Cc1nc(C)c2c(n1)O[C@H](CN1CCCc3ccccc3C1)C2 2100548369 ZCLZBPHHJGLRBR-KRWDZBQOSA-N 309.413 2.845 0 50 DFAA Cc1cccn2cc(C(=O)N[C@@H]3CCc4cc(CN)ccc43)nc12 2325787510 DRKMIGSVXCIYLW-MRXNPFEDSA-N 320.396 2.519 0 50 DFAA Cc1nc2ccnn2c(NCc2nc(C)c3c(n2)CCCC3)c1C 2356148999 DLFGQVWIFYACHQ-UHFFFAOYSA-N 322.416 2.935 0 50 DFAA C[C@H]1CCCN(C2=C(Cl)C(=O)N(c3ccccc3)C2=O)C1 144924 NPHROGAXUZKCIK-NSHDSACASA-N 304.777 2.742 0 50 DFAA CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 219869 LXNUIWXGUJLQCS-MRXNPFEDSA-N 314.429 2.656 0 50 DFAA Cc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)c1 309267 XARZQJRSWJQIPX-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA CCCC[C@](CCC(=O)O)(C(=O)OCC)c1csc(N)n1 2346469 SNYMWBBCKVDASK-CQSZACIVSA-N 314.407 2.581 0 50 DFAA COc1ccc2[nH]c(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)cc2c1 2356149146 MMTBHGKOMHTPSE-KLPPZKSPSA-N 316.357 2.550 0 50 DFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 6742530 IWBLNQBOJPXBCV-UWVGGRQHSA-N 306.387 2.627 0 50 DFAA Cc1cnc(CN2CCN(c3ccnc4ccccc34)CC2)cn1 459477208 GWXGHYUQQYDARA-UHFFFAOYSA-N 319.412 2.655 0 50 DFAA Cc1ccccc1CN1CCN(C2CCCC2)C[C@@H]1CCO 22920215 QEVXMZGFQXUOEV-IBGZPJMESA-N 302.462 2.806 0 50 DFAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1nccs1 100159485 CKKLEHAGLBGRPV-SNVBAGLBSA-N 306.774 2.919 0 50 DFAA CCc1nc(N2CC[C@H](c3cc(OC)ccc3OC)C2)no1 77459370 YWIUBNBJMIXTTF-NSHDSACASA-N 303.362 2.643 0 50 DFAA CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cscc2C)C1 124303189 QBTIXEQMFORUCZ-GFCCVEGCSA-N 309.435 2.827 0 50 DFAA COc1ccc(CCc2nc(C)cc(CN(C)C)c2O)cc1 186190 DFWUBQUYFDDPBS-UHFFFAOYSA-N 300.402 2.951 0 50 DFAA biogenic Cc1cc(CN(C)CCC(=O)NC2CCCCCCC2)n[nH]1 65394148 WAYUEYYUGWHZPK-UHFFFAOYSA-N 306.454 2.769 0 50 DFAA O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CO)CC1 1392842 OKRDKUVSYZJNBU-UHFFFAOYSA-N 306.164 2.930 0 50 DFAA CCCc1noc(CN2CCC(OCc3cccnc3)CC2)n1 12448649 JHYKMHCXCUAVID-UHFFFAOYSA-N 316.405 2.598 0 50 DFAA CO[C@@H]1CCC[C@@H](CC(=O)NCc2nnc(C(C)C)s2)C1 331064896 PLOCLFRIJTZGDX-VXGBXAGGSA-N 311.451 2.873 0 50 DFAA C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@H]1N1CCOCC1 253429758 UPUQBVKEKSCTFK-UONOGXRCSA-N 323.506 2.593 0 50 DFAA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2c2nccs2)cn1 257365243 FEHYUTMWIIRGRV-IHRRRGAJSA-N 316.430 2.734 0 50 DFAA C[C@@H]1CCCc2nc(S(=O)(=O)N[C@H](C3CCC3)C3CC3)cn21 333111269 DZWABGFJHUTXJL-BDJLRTHQSA-N 323.462 2.637 0 50 DFAA CCc1nccn1CCC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 219923597 GIBZANPQIBGKPK-OAHLLOKOSA-N 315.392 2.991 0 50 DFAA c1ccc(CN2C[C@H](NCCCn3cccn3)C[C@@H]2C2CC2)cc1 367908890 DIGPRYAQVVYUKD-WOJBJXKFSA-N 324.472 2.916 0 50 DFAA Cc1ccc([C@H](CCO)Nc2ncnc3c2c(C)nn3C)cc1 72470324 SDLBNYNOJYCOCD-AWEZNQCLSA-N 311.389 2.516 0 50 DFAA O=C(C1=Cc2ccccc2OC1)N1CC[C@@H](O)c2ccccc2C1 374675953 FDVRUKIPASAYML-GOSISDBHSA-N 321.376 2.928 0 50 DFAA COc1ccc(/C(C)=C/C(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1 156301691 HQZKPTMODFPABD-IWNKFFNMSA-N 302.418 2.684 0 50 DFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N[C@H]3C[C@@H]4OCC[C@H]34)c2c1 219238562 VLLHTLCGUNZMNR-COXVUDFISA-N 312.413 2.929 0 50 DFAA CC1=C(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)CCC1 262193905 RKDCAXBWHNPYDN-MRXNPFEDSA-N 312.369 2.780 0 50 DFAA C[C@H](NC(=O)c1ccn(C)n1)c1ccc(Br)cc1 12383685 GICZOZSMOYMHGF-VIFPVBQESA-N 308.179 2.674 0 50 DFAA CC1(C)NC(=O)CC[C@@H]1NCc1c(F)cccc1OC(F)F 494962014 SVYCBOQWJYKRRO-LBPRGKRZSA-N 316.323 2.574 0 50 DFAA COCc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)O)c2)o1 263348073 USLARGQQXKHPIE-SNVBAGLBSA-N 303.314 2.866 0 50 DFAA Cc1c(CNC(=O)N2CCCC[C@H]2c2cccnc2)cnn1C 426535643 GOXQMPXQTVPUQR-INIZCTEOSA-N 313.405 2.560 0 50 DFAA O[C@@]1(c2c[nH]nn2)CCN(Cc2ccc(-c3ccccc3)cc2)C1 284945296 DRGRRWBCEPWWER-IBGZPJMESA-N 320.396 2.565 0 50 DFAA CCOC1CCN(C(=O)c2ccc([C@@H]3CCCNC3)cc2)CC1 95377135 NFAQHMYOQGUWQT-QGZVFWFLSA-N 316.445 2.795 0 50 DFAA COCC[C@]1(CO)CCCN(C/C=C/c2ccccc2OC)C1 91724876 KQAPLPPTOIOSIP-MTCRFPMVSA-N 319.445 2.819 0 50 DFAA C[C@]1(O)CCN(Cc2ccc(-c3ccccc3)s2)C[C@@H]1O 96163371 KIFSSARXIFCQFM-IRXDYDNUSA-N 303.427 2.733 0 50 DFAA CC(=O)c1cnc(N[C@H](c2ccccc2)c2nccn2C)nc1C 95387578 FWOZJCJCTAJNIO-MRXNPFEDSA-N 321.384 2.923 0 50 DFAA CCCc1nnc(N[C@@H]2CC(=O)N(c3cccc(C)c3)C2)o1 95378815 LZRASMVWGHHYFG-GFCCVEGCSA-N 300.362 2.548 0 50 DFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ncoc1C1CC1 97570723 LJGSPSJRHKLQJS-LBPRGKRZSA-N 311.263 2.980 0 50 DFAA COc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C)c(OC)c1C 243900958 AXVYFBKTVIYUKR-GDBMZVCRSA-N 304.434 2.681 0 50 DFAA Cc1cc(C)c(C(=O)Nc2ccc3c(c2)OCC(O)=N3)c(O)n1 252490078 KIMOSXRDAOYVLO-UHFFFAOYSA-N 313.313 2.637 0 50 DFAA O=C(O)CCc1ccc(-c2nc3ccccc3n2CCO)cc1 534653604 WBOFSYHMBNKPNH-UHFFFAOYSA-N 310.353 2.713 0 50 DFAA CCc1noc([C@H](C)N2CCC(Oc3ccc(C)cn3)CC2)n1 182843654 RRBDLXISGQSUKO-ZDUSSCGKSA-N 316.405 2.940 0 50 DFAA CC1(C)C(CNC(=O)N2CCN(c3ccncc3)CC2)C1(C)C 534667001 MAXMUVAHFQNZNY-UHFFFAOYSA-N 316.449 2.595 0 50 DFAA COc1nccnc1N[C@@H]1CCCN(Cc2ccccc2F)C1 534636931 YPTBMFSHMPIXRS-CQSZACIVSA-N 316.380 2.701 0 50 DFAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1C1CCCCC1 299048494 VLODPVCJABMJPF-HIFRSBDPSA-N 318.417 2.969 0 50 DFAA O=C(c1cccn1C1CC1)N1CCC(Oc2ccncc2)CC1 299782082 XDDHAKUKGXZWNH-UHFFFAOYSA-N 311.385 2.902 0 50 DFAA CCc1ncc(CNCC2(N3CCCCC3)CCCC2)cn1 952873161 HPDGKRDYYOHWFI-UHFFFAOYSA-N 302.466 2.927 0 50 DFAA Cc1ccc(Sc2ccc(CN3CC[C@H](N)[C@@H](O)C3)o2)cc1 1565513256 HYOHTDKIPPPISD-HOTGVXAUSA-N 318.442 2.633 0 50 DFAA COCC[C@@H]1COCCN1C(=O)c1cc(C2CC2)[nH]c1C1CC1 627441089 BQOGLWQVKZDXGX-CQSZACIVSA-N 318.417 2.647 0 50 DFAA C[C@@H]1COCC[C@@H]1NC(=O)NCC(F)(F)c1cccc(F)c1 661068787 DRIWQTPILRYUTA-MFKMUULPSA-N 316.323 2.642 0 50 DFAA CC[C@H](C)n1ncc(NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1C 408352685 TXIIPUSESDWTGQ-XQQFMLRXSA-N 307.442 2.719 0 50 DFAA Cc1cccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1C 408517266 FEAJXZDWEFVIBB-HNNXBMFYSA-N 316.445 2.629 0 50 DFAA CCNc1nc(C)c(C(=O)N2CCC(n3cccn3)CC2)s1 759223612 KRNDHEVVRCCYSX-UHFFFAOYSA-N 319.434 2.557 0 50 DFAA Cc1ccncc1CC(=O)N1CCOc2c(F)ccc(F)c21 1616043745 HTYLHPGQQGRFPD-UHFFFAOYSA-N 304.296 2.636 0 50 DFAA CN(CC[C@H]1CCOC1)Cc1cnn(-c2ccc(F)cc2)c1 1506428138 NDEPPZZRTNPGCF-AWEZNQCLSA-N 303.381 2.870 0 50 DFAA CCCc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)n(C)n1 1529120947 VOQJXBSNJSQLDT-UHFFFAOYSA-N 323.400 2.870 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)c2cc(Cl)sc2Cl)C1 224844410 ZUVIYVWTNRXCNB-NSHDSACASA-N 308.186 2.992 0 50 DFAA C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 118326212 IYQAAZHLBBJUNB-CFVMTHIKSA-N 316.401 2.968 0 50 DFAA in-vitro Cc1cccc(OCCCN(C)C[C@@H]2CCC(=O)N(C)C2)c1C 1775977501 HGHFVAVFPNSARC-KRWDZBQOSA-N 318.461 2.873 0 50 DFAA COc1ccc(CCCC(=O)NCc2[nH]nc3ncccc23)cc1 1772807594 ZKCQSBFAHXGNDB-UHFFFAOYSA-N 324.384 2.606 0 50 DFAA O=C(O)Cc1c(-c2ccccc2)oc2ccc(-n3cnnn3)cc12 1776111178 DBTYXQQXDUMAHX-UHFFFAOYSA-N 320.308 2.703 0 50 DFAA Cc1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)on1 12847673 NMPHRWONEFCFTI-UHFFFAOYSA-N 300.293 2.619 0 50 DFAA O=C(Cc1ccccc1)N1CCN(Cc2ccccc2F)CC1 19773938 JLGFORBXXUEGBS-UHFFFAOYSA-N 312.388 2.713 0 50 DFAA CCc1nccn1S(=O)(=O)c1cc(Cl)c(C)cc1OC 4385838 PQUZQMWLHPCECX-UHFFFAOYSA-N 314.794 2.653 0 50 DFAA CCCO[C@H]1CCCN(C(=O)NC[C@@H]2CCCS2)CC1 126470355 NNFGECFSMJOJRX-KBPBESRZSA-N 300.468 2.873 0 50 DFAA COCC[C@@H](NC(=O)CC1CCNCC1)c1ccc(Cl)cc1 237108770 AWZMMUDHVXCGJM-MRXNPFEDSA-N 324.852 2.924 0 50 DFAA Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](N)C[C@@H]1C 237633559 ZDOIZMVVSARPKD-CMPLNLGQSA-N 324.471 2.710 0 50 DFAA C[C@@H]1CN(C(=O)CN2CCCCC[C@H]2c2ccco2)C[C@@H](C)O1 245225512 WSYDRDYQVSJIOT-OAGGEKHMSA-N 320.433 2.833 0 50 DFAA C[C@@H](C(=O)O)c1cccc(NC(=O)c2cnn3c2CCCC3)c1 263351469 VQZVVEWGQSZJKP-LLVKDONJSA-N 313.357 2.660 0 50 DFAA CC(C)c1ccc(-n2ccnc2S(=O)(=O)[C@@H]2CCOC2)cc1 905254065 ZJDVQQPBMKVVCP-OAHLLOKOSA-N 320.414 2.558 0 50 DFAA COc1ncc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)cn1 837936721 QMXSPTUHSVYKLR-CVEARBPZSA-N 311.385 2.894 0 50 DFAA CCc1onc(C)c1NC(=O)NCc1cc(C(F)F)on1 930574298 ZHNGTSVHICGUOV-UHFFFAOYSA-N 300.265 2.793 0 50 DFAA CCc1ccc(Br)cc1C(=O)NCCc1ncc[nH]1 932476082 VXPFMBXZGIIQSU-UHFFFAOYSA-N 322.206 2.707 0 50 DFAA COc1ccc2nccc(N3CCC[C@H](Cn4ccnn4)C3)c2c1 1120033450 OWMAVYKMAAREES-AWEZNQCLSA-N 323.400 2.752 0 50 DFAA C[C@@H](O)c1cnc(CNc2ccc([C@H]3CCC(=O)N3)cc2)s1 1875284040 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2.734 0 50 DFAA CCOc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 208986 KLRXILIEPKAFRP-UHFFFAOYSA-N 302.355 2.646 0 50 DFAA c1ccc(-n2nnnc2SCc2nc3ccccc3[nH]2)cc1 245969 DECMLALDQDVQSG-UHFFFAOYSA-N 308.370 2.831 0 50 DFAA CCOC(=O)C(C(=O)OCC)c1cccc(C(F)(F)F)c1 2525730 XUVNJTKVYGCXEY-UHFFFAOYSA-N 304.264 2.915 0 50 DFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCN1CCOCC1 22455200 IUKBOLDRCTWTHQ-ZDUSSCGKSA-N 316.367 2.558 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccc(F)cc1 248146534 SAVAGUOZRYQJOF-IAGOWNOFSA-N 304.409 2.844 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1c(C)nn(C)c1Cl 65529300 VGEISXIXVWDXFZ-AWEZNQCLSA-N 308.813 2.596 0 50 DFAA O=C1C[C@@H](c2noc(CCC3CCC3)n2)CN1CC1CCC1 328593868 SXJXZXKWBXLSLY-CQSZACIVSA-N 303.406 2.918 0 50 DFAA CC[C@@H](CC1CCCC1)C(=O)N1CCOC[C@@H]1c1ncon1 334125909 PGMZHYQVSXUTIH-UONOGXRCSA-N 307.394 2.576 0 50 DFAA CC1(C)C(O)=N[C@@H]1C1CCN(C(=O)c2ocnc2C2CC2)CC1 329472218 SEHRTSZKNJNQFE-CQSZACIVSA-N 317.389 2.769 0 50 DFAA CCN(C)C(=O)CCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 130491204 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303.402 2.963 0 50 DFAA O=C(NCCC[C@@H]1CCOC1)c1ccc(-c2ncccn2)cc1 426571469 JZOLUIXPHMPVRR-CQSZACIVSA-N 311.385 2.690 0 50 DFAA COc1ccccc1N1CC[C@H](NC(=O)C(C)(Cl)Cl)C1 181779634 UPTCCUUUWGWAJS-JTQLQIEISA-N 317.216 2.584 0 50 DFAA COCc1cc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)ccc1F 237243365 ZDEFLHQMVLLVEL-VHRNVKJDSA-N 320.408 2.509 0 50 DFAA Cc1csc(C(=O)N2CC[C@@H](OC(=O)N(C)C)C2)c1Cl 295588713 WHCOWZZVCUBONJ-SECBINFHSA-N 316.810 2.623 0 50 DFAA O=S(=O)(CCCN1CC2CCC(CC2)C1)c1ccccc1 96027420 AEIQIECUDJNKHL-UHFFFAOYSA-N 307.459 2.972 0 50 DFAA Cc1csc(NC(=O)[C@H](C)N2CCCC3(CCOCC3)C2)n1 244691959 JLWDVYRXIXLMAO-ZDUSSCGKSA-N 323.462 2.671 0 50 DFAA CN(Cc1nnc(-c2cccnc2)o1)C[C@H]1Cc2ccccc2O1 244811517 SFWYZRCKZZVQSS-OAHLLOKOSA-N 322.368 2.567 0 50 DFAA Cc1ccc(O)c(CN2CC[C@@H](n3cnc4c3CCCC4)C2)n1 299738645 DLPDRQYYRLHIFA-CQSZACIVSA-N 312.417 2.618 0 50 DFAA Cc1[nH]ccc1C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299743126 LYGOYOGCTUXGOR-BBRMVZONSA-N 302.349 2.970 0 50 DFAA CN(CCCNc1cc([C@H]2C[C@@H](N)C2)ncn1)c1ccccc1 252532930 FLVQPHHRRDIKKN-GASCZTMLSA-N 311.433 2.620 0 50 DFAA N[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 534640067 GROGJLPKIQULAZ-SFYZADRCSA-N 305.275 2.846 0 50 DFAA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc2[nH]cnc2c1 282144735 ZTTWZDMQVXYSIE-MRXNPFEDSA-N 309.373 2.664 0 50 DFAA O=C(NCCSC(F)(F)F)Nc1ccnn1CC1CC1 299756169 IOBNQKYELFCVFW-UHFFFAOYSA-N 308.329 2.668 0 50 DFAA COC(C)(C)CCNC(=O)N(C)CC[C@@H](O)c1ccccc1 584903401 AIFTVJPNXFEGLK-OAHLLOKOSA-N 308.422 2.567 0 50 DFAA Cc1ccc(C(=O)N2CCC([C@H](C)N(C)C)CC2)n1C(F)F 584885691 NOIWTEMXBRPACH-LBPRGKRZSA-N 313.392 2.994 0 50 DFAA C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)c1cn[nH]c1 270278206 LYYIUVOOZBSARS-GXTWGEPZSA-N 316.380 2.884 0 50 DFAA c1ccc(-c2cc(N3CCO[C@@H]([C@H]4CCCO4)C3)ncn2)cc1 872479704 PHLGXSDRFWJPLX-IAGOWNOFSA-N 311.385 2.528 0 50 DFAA Cc1cc2cc(NC(=O)[C@H]3CCC(C)(C)CN3)ccc2[nH]c1=O 1875315267 NGNHIXJFNRGJFD-OAHLLOKOSA-N 313.401 2.553 0 50 DFAA 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323.824 2.524 0 50 DFAA CNC(=O)CC1CCN(c2nc(-c3ccccc3)ns2)CC1 266811090 GHEKCEGHICJCRY-UHFFFAOYSA-N 316.430 2.558 0 50 DFAA NC(=O)c1ccc(NC(=O)c2ccc(F)c3ccccc23)cn1 390834472 ZMGFKKROMUOEIE-UHFFFAOYSA-N 309.300 2.725 0 50 DFAA COc1ccc(-c2cn([C@H]3COC(C)(C)C3)nn2)cc1OC 900551344 CDQCYGYXVWRSJB-GFCCVEGCSA-N 303.362 2.702 0 50 DFAA O[C@H](CN[C@H]1CCCOc2ccccc21)c1ccc(F)cn1 818995971 ZXLYWHVNUAWKBB-GOEBONIOSA-N 302.349 2.758 0 50 DFAA OCC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1F 830351088 NRHDAZQAXYSYKP-DLBZAZTESA-N 307.340 2.712 0 50 DFAA CC(C)Cc1ccccc1CN1CCOC[C@@H]1c1nc[nH]n1 930379609 HETUUNSWRJZLJK-MRXNPFEDSA-N 300.406 2.577 0 50 DFAA Cn1ccnc1CNC(=O)c1cc2ccccc2n1CC1CC1 2325741993 HVDMMDVAAGTHHT-UHFFFAOYSA-N 308.385 2.715 0 50 DFAA CN(C[C@H](O)COCc1ccc2c(c1)OCO2)C1CCCCC1 195612 NVAWRNIJHWLDQR-INIZCTEOSA-N 321.417 2.557 0 50 DFAA COCCCNC(=S)N1CCC(Cc2ccccc2)CC1 2779555 GQXPNGLNYWCIMN-UHFFFAOYSA-N 306.475 2.852 0 50 DFAA Cc1ccc(-c2csc3ncn(CC(=O)O)c(=O)c23)cc1C 4056261 OKXSNOKDSJHQEG-UHFFFAOYSA-N 314.366 2.826 0 50 DFAA COc1ccc(OC)c(CCNc2ncnc3onc(C)c23)c1 8596011 WSBDUILNRGSBQM-UHFFFAOYSA-N 314.345 2.598 0 50 DFAA CCOc1cc(CNCC2CCNCC2)cc(Cl)c1OC 10434690 ICPPXKKWDUFVER-UHFFFAOYSA-N 312.841 2.837 0 50 DFAA C[C@@H](Cc1ccncc1)NC(=O)Nc1ccc([S@](C)=O)cc1 428849304 KYVXIJHGDBLDQZ-YTEVENLXSA-N 317.414 2.572 0 50 DFAA Cc1ccc(CCCC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)cc1 421612408 WZZQAWZLFGATGF-QAQDUYKDSA-N 316.445 2.726 0 50 DFAA CC(C)CN1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO 104489886 BPVDFJMEFUTYIS-QGZVFWFLSA-N 315.461 2.693 0 50 DFAA Cc1cnc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cnn2c1 65494714 OUVSQZGZVBSJDM-INIZCTEOSA-N 321.384 2.800 0 50 DFAA C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccccc1 20400152 NPXRVNDJTKDZCH-NEPJUHHUSA-N 302.399 2.744 0 50 DFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 229557286 KOTVPDCOHJLAJS-MGPQQGTHSA-N 307.777 2.549 0 50 DFAA C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)O 20732512 HKVIURWMDOWCPU-QMMMGPOBSA-N 324.789 2.595 0 50 DFAA Fc1nc(Br)ccc1I 307690473 OUOXDHCCDFQUTK-UHFFFAOYSA-N 301.884 2.588 0 50 DFAA COCC1(C(=O)NCCn2c(C)cc3ccccc32)CCC1 65395053 MAWFDXQQMZNODI-UHFFFAOYSA-N 300.402 2.883 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)[C@H]2CCO[C@H]21 241884873 SYLGOLZLBLCGKB-IVWQEZMVSA-N 321.367 2.998 0 50 DFAA Cc1nnsc1CN(C)c1cc(C(C)C)nc2ccnn12 72154880 XAJRPUQTCYRNIJ-UHFFFAOYSA-N 302.407 2.649 0 50 DFAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 252515572 LRNUAFWHXQEDEW-WUHRBBMRSA-N 304.356 2.551 0 50 DFAA O=C(c1cnccn1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 72369577 DNFVZKHBOPUNKK-HNNXBMFYSA-N 307.357 2.720 0 50 DFAA COc1ccc(N(C(=O)[C@@H]2CC[C@H](N)C2)[C@H](C)C2CC2)cc1 154510459 GGBXMGNXLMWFEK-YUELXQCFSA-N 302.418 2.954 0 50 DFAA Cc1cc(N2CCC(N3CCCC3)CC2)n2nc(C)c(C)c2n1 72410233 FAQJFXMDXFXWBN-UHFFFAOYSA-N 313.449 2.719 0 50 DFAA CN(CCC(=O)O)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 263016680 SAJONLAKVPZXRR-VXGBXAGGSA-N 315.291 2.742 0 50 DFAA Cc1csc(N2CCN(CCOc3ccccc3)CC2)n1 42656056 RXZHNJHTWRLNAC-UHFFFAOYSA-N 303.431 2.653 0 50 DFAA CCc1c(C)nn(CC(=O)N[C@@H](CC)c2ccncc2)c1C 220366784 JQMKIIDPOFBDAT-INIZCTEOSA-N 300.406 2.725 0 50 DFAA CN(CCN(C)C1CCCC1)C(=O)NCc1cccc(F)c1 426484438 LAUHMFXRFQMWQJ-UHFFFAOYSA-N 307.413 2.842 0 50 DFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(O)n1)[C@@H]2C 332498119 FOEGQUIVKIUJCZ-NWDGAFQWSA-N 312.369 2.944 0 50 DFAA Cc1[nH]nc(CCC(=O)N(C)CC[C@@H](O)c2ccccc2)c1C 97594888 RNPAQJDDCXRYJT-QGZVFWFLSA-N 315.417 2.541 0 50 DFAA Cc1cccc(N2C(=O)C[C@H](Sc3nnc(C)s3)C2=O)c1 96318798 NHCLEZRHPXVWMV-NSHDSACASA-N 319.411 2.579 0 50 DFAA CC[C@@H](Nc1ncnc2nc(C)cc(C)c12)c1ncnn1CC 95365378 BTRNIRFUAFRUQB-GFCCVEGCSA-N 311.393 2.816 0 50 DFAA O=C(O)[C@H]1C[C@@H]1C(=O)NC(c1cccs1)c1cccs1 268961760 ZEBRPJFNGSESNL-IUCAKERBSA-N 307.396 2.736 0 50 DFAA COc1ccc2nc(CCNC(=O)CCC(F)(F)F)[nH]c2c1 244633305 GASXXLHXXUBJCB-UHFFFAOYSA-N 315.295 2.573 0 50 DFAA Cc1nc(CC(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)cs1 244866432 VWCLPOSEQSDIMQ-NVBFEUDRSA-N 322.455 2.684 0 50 DFAA CCOc1ccc(NC(=O)NCC[C@H]2CCCN2C)c(F)c1 299780084 BITWHKWYOSPFEU-GFCCVEGCSA-N 309.385 2.830 0 50 DFAA C[C@H](Cn1cccn1)c1n[nH]c(COc2cccc(F)c2)n1 826620371 JHOLODITXWPSBV-LLVKDONJSA-N 301.325 2.523 0 50 DFAA CN(C)Cc1ccccc1CN(C)C(=O)C[C@@H]1CCCOC1 584901995 FRKUESVFUFPDIB-HNNXBMFYSA-N 304.434 2.523 0 50 DFAA Cc1nc2cc(CNC(=O)[C@H]3CCOC(C)(C)C3)ccc2n1C 670448635 TXESDLWFIFTIHN-AWEZNQCLSA-N 315.417 2.703 0 50 DFAA COC(=O)[C@@H]1CCn2c(nnc2-c2oc3ccccc3c2C)C1 952993607 HHCLGZNSPMKQJR-LLVKDONJSA-N 311.341 2.735 0 50 DFAA C[C@@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CC(=O)N3)CC1 1875264998 MQQUISHUWVCJLS-IUODEOHRSA-N 315.417 2.949 0 50 DFAA C[C@H](N)c1ccc(-c2cnc3c(N)nc(Cl)cn23)cc1F 1875335031 POJRABJQOIQOGI-ZETCQYMHSA-N 305.744 2.791 0 50 DFAA O=C(NC1CC1)c1cc(-c2cnc3n2CCC3)nc2ccccc12 1875324453 ZKHXGNKOJBNGDU-UHFFFAOYSA-N 318.380 2.937 0 50 DFAA COC(=O)/C=C/CCNC(=O)c1sc(C(C)(C)C)nc1C 1875312186 VWJRMUTYLYIPPY-SOFGYWHQSA-N 310.419 2.598 0 50 DFAA CC(C)CC(C)(C)NC(=O)N[C@@H](C)[C@H](O)c1ccc(O)cc1 1565513052 QLRYGKVXWIXOHC-WFASDCNBSA-N 308.422 2.938 0 50 DFAA COCc1cn([C@H](C)c2nnc(-c3ccccc3F)s2)nn1 1775994585 QAHISLFCUMBHGU-SECBINFHSA-N 319.365 2.691 0 50 DFAA O=C(c1cccc(OC(F)(F)F)c1)N1CC(c2ncc[nH]2)C1 1775999044 OYCKKPDRRGDDGV-UHFFFAOYSA-N 311.263 2.548 0 50 DFAA FC(F)(F)c1ccc2ncc(I)n2c1 95836478 YPZNIUMZMYZFLU-UHFFFAOYSA-N 312.032 2.958 0 50 DFAA in-vitro Cc1ccc([C@H](C)NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)o1 275321348 OTFCOYUGILEFRS-RBOXIYTFSA-N 317.389 2.585 0 50 DFAA FC1(F)CC(NCc2cnc3ccc(Br)cn23)C1 277358729 ANWMKAUNUHVYJC-UHFFFAOYSA-N 316.149 2.984 0 50 DFAA CNC(=O)CSCCCCCCNC(=O)OC(C)(C)C 408518620 QEKVNNJLPULZLI-UHFFFAOYSA-N 304.456 2.551 0 50 DFAA CCOC(=O)[C@@H]1CCN(C(=O)Cc2cccnc2)c2ccccc21 408514302 RKBMHNBNQCOSIK-MRXNPFEDSA-N 324.380 2.708 0 50 DFAA Cc1ccc([C@H](C)N(C)c2nc(N)c3cnn(C)c3n2)c(C)c1 278475420 UWNRQFVJROFLNP-LBPRGKRZSA-N 310.405 2.760 0 50 DFAA Cc1cc(CNC(=O)Cn2ncc3ccccc32)cc(C)c1O 170623050 YTDULVOLJYZPHI-UHFFFAOYSA-N 309.369 2.675 0 50 DFAA CSCc1cccc(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c1 187414965 UYVUUDDJNFNWNB-GJZGRUSLSA-N 320.458 2.747 0 50 DFAA Cc1nn(-c2ccnc(C(F)(F)F)c2)c(C)c1[C@@H]1CCC(=O)N1 634617992 CUUFFSNSZGKGCN-NSHDSACASA-N 324.306 2.854 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2oc(C)cc2C)c1 282497823 MXCXXACZSOWTDR-ZBFHGGJFSA-N 315.369 2.853 0 50 DFAA O=C(c1c[nH]nc1-c1ccsc1)N1CCO[C@H]2CCCC[C@H]21 188424644 QATCNONZPJSOGJ-KGLIPLIRSA-N 317.414 2.922 0 50 DFAA CCn1c(CCNC(=O)[C@@H]2CCCO[C@H]2C)nc2ccccc21 190471347 MGINOQUJJPGOKT-UONOGXRCSA-N 315.417 2.530 0 50 DFAA CC[C@H](C(=O)O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 191437100 NAJZZPMUBGBHRF-SWLSCSKDSA-N 310.825 2.882 0 50 DFAA CCOc1cc(CNC(=O)[C@H]2CCCO[C@@H]2C)ccc1OC 191814314 RPQIPPLJFKTHJR-OCCSQVGLSA-N 307.390 2.525 0 50 DFAA COc1cc(CCC(=O)N2CC[C@H](Cc3ccccc3)C2)on1 669137787 CFBDQMGEAKRFPV-OAHLLOKOSA-N 314.385 2.707 0 50 DFAA CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1noc(C2CC2)n1 585123448 MDYHBMXIXFSLCI-MRXNPFEDSA-N 307.394 2.643 0 50 DFAA CN(C)C[C@]1(CO)CCCN(CCCCc2ccccc2)C1 1506416843 MPGJBSARYBDDBC-LJQANCHMSA-N 304.478 2.645 0 50 DFAA Cc1nc(C)c(C)c(NCc2nnc(-c3ccccc3)n2C)n1 1615613878 DFICPILOAJYYTK-UHFFFAOYSA-N 308.389 2.809 0 50 DFAA C[C@H](O)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816389 XMVLHWRZPWCXRO-SFHVURJKSA-N 318.492 2.538 0 50 DFAA O=C(COc1cccc(C(F)(F)F)c1)NCc1cccnc1 1056167 YMISPPUYNSLIHQ-UHFFFAOYSA-N 310.275 2.796 0 50 DFAA CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 385977 SXOLSQSTIFDBPZ-MRXNPFEDSA-N 300.383 2.797 0 50 DFAA CO[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)CC2CC2)CC[C@H]1N 1857728190 RDGPWIKRFIHQAT-RCCFBDPRSA-N 316.445 2.568 0 50 DFAA C[C@@H]1C[C@H](C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)CC(C)(C)C1 375227745 GZWPXKYOBKEBME-DSRCVFDASA-N 306.450 2.622 0 50 DFAA O=C(Nc1ccnn1CC1CC1)c1ccnc(NC2CCC2)c1 901090139 QALJSAGWBKJSLR-UHFFFAOYSA-N 311.389 2.905 0 50 DFAA Cc1cc2nccc(NC(=O)N3CC[C@H](c4ccco4)C3)n2n1 932440323 VPVPDGPHQHSASM-LBPRGKRZSA-N 311.345 2.652 0 50 DFAA Cc1ccc(CCNC(=O)[C@@]2(C)CCOc3ccccc32)cn1 932520967 ATATZXQLXOYLSE-IBGZPJMESA-N 310.397 2.789 0 50 DFAA CC[C@@H]1C[C@H]1C(=O)N1CC2(CCN(C(=O)CC(C)(C)C)CC2)C1 944856686 SHOJYTFZSVUVHY-HUUCEWRRSA-N 320.477 2.920 0 50 DFAA C[C@H](CN1CCO[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1 215602096 AWCBWNKABFQCRC-DYVFJYSZSA-N 303.381 2.736 0 50 DFAA Cc1cnc(Cl)cc1NC(=O)N=c1cc2n([nH]1)CCCC2 2325782030 PSYFIWMAFCJTGH-UHFFFAOYSA-N 305.769 2.642 0 50 DFAA Cc1cc(N2C[C@H](O)C3(CCOCC3)C2)c2cccc(F)c2n1 2325789792 NHYSCLUXXOOZIN-INIZCTEOSA-N 316.376 2.660 0 50 DFAA COc1cc(NC(=O)COc2cccc(OC)c2)cc(OC)c1 433002 PXXBLQJTYZEZCN-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA Cc1ccc(CNC(=O)[C@H]2CC(=O)OC23CCCC3)c(C)c1 609817 YZEWZYRHCLYJCO-OAHLLOKOSA-N 301.386 2.796 0 50 DFAA COc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 2325798 JKJPRHBUYQYHTI-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)Nc1nncs1 4803082 FTFAUSYAXXEPRR-SSDOTTSWSA-N 317.292 2.963 0 50 DFAA O=C(NCc1cccnc1)C1CCN(C[C@H]2CC=CCC2)CC1 6675358 ZOUJPILUEYXPPC-INIZCTEOSA-N 313.445 2.766 0 50 DFAA C[C@H](NC(=O)c1cc(Br)cs1)[C@@H]1CCCO1 6698748 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O=C(O)/C=C/C(=O)Nc1ccc(Br)cc1Cl 12368484 ARCZKZYKNUNGNI-ONEGZZNKSA-N 304.527 2.682 0 50 DFAA CSCCC(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C 15067921 IFWFYZMNNPGQEQ-LLVKDONJSA-N 316.430 2.777 0 50 DFAA COC[C@@H]1CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 19111098 AKDPWXBYDPIUIL-CQSZACIVSA-N 300.402 2.986 0 50 DFAA Cc1nc([C@H]2CCc3ncnn3C2)n(-c2cccc(Cl)c2)n1 1857675947 IGHRBGLQXXCLJB-NSHDSACASA-N 314.780 2.551 0 50 DFAA CCN1CCC[C@H]1CN1CCc2[nH]nc(-c3ccccc3)c2CC1 1857697126 WIONMMLPMKXUAZ-KRWDZBQOSA-N 324.472 2.962 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473760 UGQKXGAQBUGKBF-BBRMVZONSA-N 315.417 2.737 0 50 DFAA C[C@H](NC(=N)O)C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 331293900 LXTZGKOPYUGZBJ-GWCFXTLKSA-N 309.797 2.864 0 50 DFAA Cc1oc2ccccc2c1CN1CCS(=O)(=O)[C@H](C)[C@H]1C 245710753 FWXKULKLCINADJ-DGCLKSJQSA-N 307.415 2.749 0 50 DFAA OC[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@H]1c1ccccc1 376261909 JLHJYEGJRCTZNM-CABCVRRESA-N 308.385 2.560 0 50 DFAA CC1=CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)OCC1 1704299619 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O=C(c1ccc(F)cc1)N1CCN(C[C@@H]2CC=CCC2)CC1 300413 IMZQLEVGXDYZTL-OAHLLOKOSA-N 302.393 2.940 0 50 DFAA COc1ccc([C@H]2NC(=O)c3ccccc3N2)c(OC)c1OC 410190 DCORADWXZCIVIY-MRXNPFEDSA-N 314.341 2.567 0 50 DFAA C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccccc2)C1=O 2290381 JWYHVXCUFQZPFL-PIGZYNQJSA-N 310.378 2.960 0 50 DFAA O=C(c1n[nH]c2ccccc12)N1CCC(OC(F)(F)F)CC1 2356142042 AVRZPBPAEHRVOV-UHFFFAOYSA-N 313.279 2.704 0 50 DFAA Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1C 4649225 VGKCPFCLEXCVCP-UHFFFAOYSA-N 313.309 2.952 0 50 DFAA COC(=O)c1ccc(NC(=O)CC[C@H](CC(C)C)C(=O)O)cc1 4828583 FAUFEYUEVKBHAS-CYBMUJFWSA-N 321.373 2.939 0 50 DFAA CCn1c(C)nnc1SCC(=O)Nc1cccc(C)c1C 6726693 HICZMSKFMYCIDG-UHFFFAOYSA-N 304.419 2.954 0 50 DFAA CC(C)[C@@H]1CCCN(C(=O)NCc2nnc3ccccn23)CC1 114819854 WOCREBSAENGVRL-CQSZACIVSA-N 315.421 2.697 0 50 DFAA CCc1nnc(NC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)s1 102458325 PPIQBOFQXLUNKF-GMTAPVOTSA-N 304.419 2.824 0 50 DFAA C[C@H](O)CNc1ccc(-c2nc(CCc3ccccc3)no2)cn1 20599252 QOZMZLUIMJRGKD-ZDUSSCGKSA-N 324.384 2.710 0 50 DFAA CN(Cc1ccccc1)c1ncccc1CNc1ccnc(N)n1 67754666 CFMPTRBIFXMTQH-UHFFFAOYSA-N 320.400 2.702 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c2nccn21 428217744 XGLFRTOBTMEBRE-IOIGKTSCSA-N 314.433 2.967 0 50 DFAA O=C1CCCc2[nH]c(=O)c(C(=O)Nc3cccc(Cl)c3)cc21 29508935 CTNSJAOTHFWUGC-UHFFFAOYSA-N 316.744 2.800 0 50 DFAA CCN(CC)Cc1nnc2sc(COc3ccccc3)nn12 61722137 MXQSSSMCKFVNND-UHFFFAOYSA-N 317.418 2.607 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1c1ccccc1 229511492 BDABUOGLHDKJQH-USXIJHARSA-N 303.402 2.934 0 50 DFAA CCC(=O)NCc1cccc(-n2ccnc2-c2ccccn2)c1 65456643 BOSFJACAYXGBDZ-UHFFFAOYSA-N 306.369 2.961 0 50 DFAA O=C(c1cc(O)nc2ccccc12)N1CCC(c2ccn[nH]2)CC1 125175838 WAAHMLBHZHHIBQ-UHFFFAOYSA-N 322.368 2.683 0 50 DFAA CCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 421171 QLLLZTIXCZGKOX-UHFFFAOYSA-N 318.402 2.540 0 50 DFAA Cc1ccc(C2(O)CCN(c3ccc(Cl)cn3)CC2)nc1 67982998 PBCDODNHEBTGON-UHFFFAOYSA-N 303.793 2.926 0 50 DFAA 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301.390 2.627 0 50 DFAA Cc1nnc(C2CCN(C(=O)NC[C@H]3CC=CCC3)CC2)o1 1875289087 SAYMWZRWWFOYCV-ZDUSSCGKSA-N 304.394 2.623 0 50 DFAA O=C(O)c1csc(NC(=O)C23C[C@@H]4CC(C[C@H](C4)C2)O3)c1 1875300855 SWHSGOUFVXIWET-JWAAGEMGSA-N 307.371 2.733 0 50 DFAA Nc1nnc(CSc2nnc(NC3CCCCC3)s2)o1 1775991381 KDYNSYDJIGNGAB-UHFFFAOYSA-N 312.424 2.540 0 50 DFAA CC[C@@H](CO)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 35610112 CUEQTXSNQJNNON-HNNXBMFYSA-N 311.447 2.784 0 50 DFAA CCc1nocc1CN1CCc2c(cc(F)cc2C(=O)O)C1 2325783216 DMSPBRHBAFPWIF-UHFFFAOYSA-N 304.321 2.633 0 50 DFAA Cc1nnc2c(=NC34CCC(C(F)(F)F)(CC3)C4)[nH]ccn12 2325784187 GZMPUYDEMXEHIC-UHFFFAOYSA-N 311.311 2.532 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCC[C@H]3O)cc2)c1C 2325804344 HQHJFSZMDUGIAY-DLBZAZTESA-N 313.401 2.979 0 50 DFAA COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 59758 BQYHECHXLBBJKB-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA biogenic Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 92556 PRWRWPWVTDZZCH-NSHDSACASA-N 307.337 2.958 0 50 DFAA 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50 DFAA CCOC(=O)C1CCN(C(=O)c2cc3ccccc3o2)CC1 6703280 YWYWCSXCECQXCY-UHFFFAOYSA-N 301.342 2.848 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1F 10301957 ICNGYFXYHLHRLI-UHFFFAOYSA-N 317.288 2.913 0 50 DFAA O=C(NCc1ccco1)N1CCN(c2cccc(Cl)c2)CC1 9874491 OWTWTGWPZFIZGW-UHFFFAOYSA-N 319.792 2.965 0 50 DFAA C[C@@H]1Cc2cc(CNCCC(=O)Nc3nccs3)ccc2O1 65380268 POMCCWJQMKLYJB-LLVKDONJSA-N 317.414 2.585 0 50 DFAA Cc1ccc(NC(=O)c2cnc(-c3cnn(C)c3)s2)c(C)n1 119182454 RHFRIOVOETZHLM-UHFFFAOYSA-N 313.386 2.808 0 50 DFAA O=C(Nc1ccc(NCc2cn3ccccc3n2)cn1)C1CC1 119511595 PPWYGLPZGFUWQF-UHFFFAOYSA-N 307.357 2.690 0 50 DFAA O=C(CCc1cccnc1)N1CCOC2(CCCCCC2)C1 120064916 IYSCBGTUQKGRFD-UHFFFAOYSA-N 302.418 2.966 0 50 DFAA CC(C)CC[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cnn(C)c2)C1=O 249067754 QNUJNDAWSXACRU-XIRDDKMYSA-N 318.465 2.720 0 50 DFAA Cc1cc(F)ccc1NC(=O)CNCc1ccc2c(c1)OCO2 65409230 PSWLAOGQNXEVSQ-UHFFFAOYSA-N 316.332 2.591 0 50 DFAA CCOC(=O)[C@@H](C)Oc1ccc(I)cc1 2549394 SHBODRNPEFIEIG-MRVPVSSYSA-N 320.126 2.622 0 50 DFAA CC(C)n1cnnc1CN(C)Cc1cc2c(cc1Cl)OCO2 77390409 UZBJAQCHEFSMBK-UHFFFAOYSA-N 322.796 2.873 0 50 DFAA COc1cccc2ncn([C@@H](C)Cc3cccc(C)n3)c(=O)c12 32513724 UJTRTJVNBQKQME-ZDUSSCGKSA-N 309.369 2.912 0 50 DFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1ccc(-n2cccn2)cc1 237899202 SZSHJURRQULYOP-VHRNVKJDSA-N 310.401 2.732 0 50 DFAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC(CCCO)CC1 242155954 WURNTVQAHDIKIZ-VYDXJSESSA-N 310.482 2.554 0 50 DFAA Cn1ccnc1-c1nccn1Cc1ccccc1Cn1cccn1 71771473 CECZUWRTCCLDOP-UHFFFAOYSA-N 318.384 2.577 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@H](C)N1 153918133 GBCAVKNXCTWTGZ-QWRGUYRKSA-N 303.793 2.711 0 50 DFAA CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 35511521 WXLQBHBDMVGDRM-DGCLKSJQSA-N 323.393 2.596 0 50 DFAA CCC(CC)n1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)n1 363724677 OYYXCHBYMLQBCI-OAHLLOKOSA-N 304.438 2.555 0 50 DFAA CCn1ccnc1[C@@H](NCc1cccnc1C)C1CCOCC1 343403512 PPJHUWPOOPZBBR-KRWDZBQOSA-N 314.433 2.864 0 50 DFAA CC(C)C[C@H](C(=O)Nc1cccc(O)c1)N1CCCCC1=O 134026344 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O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(-n2ccnc2)nc1 247859481 LZYRVGTWOBNBLZ-CWRNSKLLSA-N 310.401 2.710 0 50 DFAA COc1ccc2c(C)nc(N(C)CC3(CO)CCCC3)nc2c1 67833351 IFFWSHWGQYXBAF-UHFFFAOYSA-N 315.417 2.936 0 50 DFAA CN(C)c1nc(CNC(=O)C2(c3ccccc3F)CC2)cs1 65490636 LIUXJUKUARCGJW-UHFFFAOYSA-N 319.405 2.696 0 50 DFAA COc1cc2ccccc2cc1CNC[C@H]1CCN(C)C(=O)C1 424190233 PDGSDLZOANPOJM-AWEZNQCLSA-N 312.413 2.806 0 50 DFAA C[C@H](O)[C@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O 252511251 FJPIDJLBJUSSIA-AUTRQRHGSA-N 301.358 2.573 0 50 DFAA CN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2ccccc2n1C 120308191 SIDFLUNQTZVQLN-UHFFFAOYSA-N 323.352 2.508 0 50 DFAA Cn1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2cccs2)c1 328627871 GRIGAGBFCJXACH-GJZGRUSLSA-N 307.438 2.789 0 50 DFAA CC(C)[C@H](CO)C(=O)NCc1cc(Cl)ccc1OC(F)F 170600710 IDHTUJWZLMNVTG-NSHDSACASA-N 321.751 2.822 0 50 DFAA CCO[C@H](CCNC(=O)c1cccc(-c2ncn[nH]2)c1)C(C)C 154827730 BVVWXVULRQHEGB-OAHLLOKOSA-N 316.405 2.653 0 50 DFAA COc1ccccc1CNC(=O)Cn1ccc2cccc(OC)c21 32095941 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Cc1cc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)no1 263702517 ANXIGRUJTCVARE-UHFFFAOYSA-N 309.329 2.898 0 50 DFAA CC(C)(C)[C@H](NCc1n[nH]c(=O)s1)c1ccc(F)cc1F 284157729 PYJZVFDMFUTQPN-GFCCVEGCSA-N 313.373 2.987 0 50 DFAA Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2C)cc1 41891533 BJPUCQABEXDSQO-ZDUSSCGKSA-N 312.369 2.808 0 50 DFAA Cc1nn2c(O)nncc2c1-c1ccc([C@H](C)N2CCCC2)cc1 426368327 QLNPRZPDXFEFQV-ZDUSSCGKSA-N 323.400 2.962 0 50 DFAA O=C(c1ccn(C(F)F)n1)N1CCC(c2ccncc2)CC1 82156976 FDVFYGAVRVFBQQ-UHFFFAOYSA-N 306.316 2.693 0 50 DFAA CCC(=O)Nc1cc(NC(=O)N2CC[C@@H](OC)C2)ccc1C 97632119 XWECJFNFPZRXHI-CYBMUJFWSA-N 305.378 2.596 0 50 DFAA Cc1ccc2c(C)c(C(=O)NCc3nnc4n3CCCC4)oc2c1 91621022 MXURHCMRGGRGFC-UHFFFAOYSA-N 324.384 2.907 0 50 DFAA Cn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95385867 FNOODQOWEQZNSU-ZWKOTPCHSA-N 310.445 2.517 0 50 DFAA CCn1ccnc1C1CCN(C(=O)CCCCCOC)CC1 91535045 LWGGCQDXZZTWDB-UHFFFAOYSA-N 307.438 2.816 0 50 DFAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1ccon1 97413171 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Cn1cncc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 828202193 DGDUOOQSNSMPMO-UHFFFAOYSA-N 321.384 2.821 0 50 DFAA Cc1ccncc1C(=O)NCC1CCN(Cc2ccoc2)CC1 828202365 GVGFKYLUMZMJJR-UHFFFAOYSA-N 313.401 2.625 0 50 DFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)Nc1cc(C)ccc1C 1073373869 KUTHRGBZZDSGRH-CVEARBPZSA-N 315.417 2.778 0 50 DFAA COc1ccc(Br)cc1[S@](=O)C[C@H]1CCCO1 194570038 DVCQIWZXQOJCIR-BMLIUANNSA-N 319.220 2.744 0 50 DFAA O=C(NCc1ccc(CO)c(F)c1)N1CCc2sccc2C1 194918031 PQDJBLASPZMHFS-UHFFFAOYSA-N 320.389 2.647 0 50 DFAA C[C@@H](Cc1cncc2ccccc12)C(=O)N(C)c1cnn(C)c1 585083049 HWIWABOTYVSZEB-ZDUSSCGKSA-N 308.385 2.810 0 50 DFAA O=C(C1CCCC1)N1CC[C@@H](NCC2Cc3ccccc3C2)C1 683888979 POWHIUVBKPBBNV-LJQANCHMSA-N 312.457 2.782 0 50 DFAA CCc1c(C)noc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 1529194658 BIIDGKYDKVBVTM-LBPRGKRZSA-N 306.362 2.750 0 50 DFAA O=C(O)[C@H]1CN(Cc2cccnc2)C[C@@H]1c1cccc(F)c1 219770336 NOFXVJFMJCUAGJ-CVEARBPZSA-N 300.333 2.521 0 50 DFAA COc1nc(N[C@H](C)C(=O)Nc2ccc(F)cc2C)ncc1F 1772703062 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CCOC(=O)C[C@@H]1CSc2nc3sc(C)c(C)c3c(=O)n21 151951 DAMAEDPXQRVOFW-SECBINFHSA-N 324.427 2.675 0 50 DFAA COc1ccc(NC(=O)[C@H](CC(=O)O)Cc2ccccc2)cc1 192120 RFLNRZZSHQGNNN-AWEZNQCLSA-N 313.353 2.967 0 50 DFAA Nc1nc(CN2CCCCCC2)nc(Nc2ccc(F)cc2)n1 1249769 CVZFFZHFVQCDHQ-UHFFFAOYSA-N 316.384 2.713 0 50 DFAA aggregator COc1ccc(CN2CCC[C@@H](CO)C2)cc1Br 3110218 ZBBUBVXYJKVCBF-GFCCVEGCSA-N 314.223 2.662 0 50 DFAA C[C@H](Sc1nncn1C)C(=O)O[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 249514390 ZOEGPWJUXHUTJF-IEECTRCBSA-N 323.462 2.910 0 50 DFAA CC[C@H](CO)N(Cc1ccc(OC)nc1)Cc1ccsc1 55053537 UERZASFFCWUDPK-OAHLLOKOSA-N 306.431 2.925 0 50 DFAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(F)c2)n1 9331094 IWVHRKMNASTTJI-UHFFFAOYSA-N 321.377 2.592 0 50 DFAA Cc1ccc(OCCN(C)C(=O)c2ccc(CO)cc2)c(C)c1 55360863 CFAGBQJZGHFOBV-UHFFFAOYSA-N 313.397 2.947 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 100555602 PMNXEXMMLCDUGS-VIRABCJISA-N 301.342 2.575 0 50 DFAA Cc1ccc(-n2nc(CC(C)C)nc2-c2cnc[nH]c2=O)cc1C 67542051 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C[C@H]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)[C@@H]2CCCC[C@@H]12 252518083 ZLIGYVAGCSPAHJ-XFIYOXNOSA-N 306.450 2.576 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCOC[C@H]1CCCO1 252517377 HEAMLHVOGIYTND-QXSJWSMHSA-N 310.438 2.545 0 50 DFAA CN(C)c1nc(Cl)c(-c2nccn2CCn2cccn2)s1 71753923 MGOVQLUQLLPPRX-UHFFFAOYSA-N 322.825 2.623 0 50 DFAA O=C(C1SCCS1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 242191368 XEZRVGFDJPRJFD-UONOGXRCSA-N 323.483 2.907 0 50 DFAA CCC(CC)(CO)NC(=O)Nc1ccccc1-n1ccc(C)n1 151076381 CVFYNOYQUWFEPX-UHFFFAOYSA-N 316.405 2.853 0 50 DFAA Cc1ccc(CCC(=O)N2C[C@H](C(=O)O)CC[C@@H]2C)c(C)c1 263275035 WNWFQDMXICQTCG-GOEBONIOSA-N 303.402 2.948 0 50 DFAA CC(C)COC(=O)N1CCCN(Cc2ccncc2F)CC1 496013365 IPEZWCZCGCIVDS-UHFFFAOYSA-N 309.385 2.521 0 50 DFAA Cc1ccc2[nH]cc(CCC(=O)N(C)C[C@H]3CCOC3)c2c1 177287404 KELKEODUZZOFJI-CQSZACIVSA-N 300.402 2.904 0 50 DFAA Cc1csc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)n1 263450296 SBUFCLDLYOKIFA-AVGNSLFASA-N 322.430 2.628 0 50 DFAA CCCC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 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O=C(c1ccc(-c2ccccc2Cl)o1)N1CC=C[C@H]1CO 91914721 DMNNFFUJMSSUCX-NSHDSACASA-N 303.745 2.973 0 50 DFAA COc1c(Br)cc(Br)c(N)c1C(=O)O 234806261 JMEIQALBJLZTGT-UHFFFAOYSA-N 324.956 2.501 0 50 DFAA O=C1Nc2ccccc2CC[C@@H]1N[C@@H]1CCCC12CCOCC2 298547931 NVXGIRXQZULGLV-DLBZAZTESA-N 314.429 2.879 0 50 DFAA O[C@H]1C[C@@H]([C@@H](Cc2ccccn2)Nc2ncccc2Cl)C1 244758166 OTKIPRHNKXWUAM-OSAQELSMSA-N 303.793 2.924 0 50 DFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc(Cl)c[nH]1 244673793 HVQXZHLKNHCPBA-DFAYQTQMSA-N 310.806 2.972 0 50 DFAA Cn1cnc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 299496464 FGCSOHDJUNWFCB-UHFFFAOYSA-N 321.402 2.542 0 50 DFAA CN(Cc1cc(C2CC2)on1)C(=O)c1nn(C)c2ccccc12 252482928 DQIOGVRUVIBHLD-UHFFFAOYSA-N 310.357 2.711 0 50 DFAA Cc1nccn1CCC(=O)NC1(c2cc(F)ccc2F)CC1 534639532 RAHOCEPJQQXOQT-UHFFFAOYSA-N 305.328 2.665 0 50 DFAA Cc1c(NC(=O)NCc2nc(C(C)(C)C)cs2)cnn1C 299775815 KEMXIYOFKQGGAL-UHFFFAOYSA-N 307.423 2.804 0 50 DFAA CC(C)(C)CCN1CCn2nc(CNC(=O)C3CCC3)cc2C1 299788743 XVUTXUWZMQSYMM-UHFFFAOYSA-N 318.465 2.551 0 50 DFAA COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)cc1 824678960 AYKCUXLBGGECSW-KBXIAJHMSA-N 313.353 2.547 0 50 DFAA COCc1nc(CCc2ccc(OC)cc2)n(-c2ccncc2)n1 670474170 DOHBCDCWZXZEBR-UHFFFAOYSA-N 324.384 2.603 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc([C@@H](O)[C@H]2CCCOC2)s1 952876804 XAFRMKYOOSQFAE-ONGXEEELSA-N 314.407 2.950 0 50 DFAA NCCCOc1cc(Cl)ccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 1565526005 PWINNTMJSPQSNV-ZOWXZIJZSA-N 322.836 2.986 0 50 DFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@@H]1C=CCN1 952873131 GXGBVLZLIPPNMR-HNNXBMFYSA-N 313.401 2.590 0 50 DFAA CC(=O)Nc1ccc2nc(CN(C)Cc3c[nH]nc3C)ccc2c1 952974513 UHHSOTNDRPPFJD-UHFFFAOYSA-N 323.400 2.857 0 50 DFAA C[C@@H](O)c1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2[nH]1 952973637 HITWJVUHBHKGKP-SNVBAGLBSA-N 313.332 2.937 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CC(C(C)C)=NO2)cc1 952865178 PLLCMINHPCBBNN-OAHLLOKOSA-N 317.389 2.564 0 50 DFAA N[C@H]1CN(C(=O)c2ccc(C3CCOCC3)cc2)CC12CCC2 1775961209 GSGGPMTXHITWMN-KRWDZBQOSA-N 314.429 2.534 0 50 DFAA CN1C[C@H](c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1=O 273790255 WSSURTIPGHBCRW-MRVPVSSYSA-N 312.156 2.989 0 50 DFAA C[C@H]1c2ccsc2CCN1C(=O)c1ccnc(C(=O)O)c1 168907964 DIBDDLNKXOBHBZ-VIFPVBQESA-N 302.355 2.601 0 50 DFAA Cc1cc(Br)ccc1N1C(=O)c2cccnc2C1=O 551358 FIKVBPJENDUDST-UHFFFAOYSA-N 317.142 2.953 0 50 DFAA O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 222174645 CWWDCFNLMWBITE-YXCITZCRSA-N 307.777 2.813 0 50 DFAA C[C@H]1C[C@@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CCN1C 170597940 ABXVRVXWKPLLGR-STQMWFEESA-N 323.437 2.544 0 50 DFAA Cc1ccccc1-c1cc(N(C)CCCN2CCOC2=O)n[nH]1 170639814 JDPJNFKTNKODKC-UHFFFAOYSA-N 314.389 2.664 0 50 DFAA CO[C@@H](C)c1nc(C)c(C(=O)N[C@](C)(CN)CC(C)C)s1 225469155 RTRLOTGTDMSRTF-NHYWBVRUSA-N 313.467 2.652 0 50 DFAA CCC[C@@H](OC)c1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1 635527995 OBQKAVIRKHYOKA-QWHCGFSZSA-N 307.394 2.673 0 50 DFAA Cc1ncc(C(=O)N(C)c2nc3ccccc3n2C)c(C2CC2)n1 281515554 XOZIVIZSVKJVHW-UHFFFAOYSA-N 321.384 2.826 0 50 DFAA Cc1csc(C2(NC(=O)CCc3cncn3C)CCCC2)n1 189001916 HFZWPGZZNPRITD-UHFFFAOYSA-N 318.446 2.703 0 50 DFAA CCc1nnc(Nc2cccc3c2OCC[C@H]3O)nc1CC 192183641 VFDYCFRHMKLSGR-CQSZACIVSA-N 300.362 2.556 0 50 DFAA Cc1ncc(CNC(=O)NCCO[C@@H]2CCCC[C@@H]2C)s1 194410731 PEQFLQVORSDQJB-SMDDNHRTSA-N 311.451 2.846 0 50 DFAA CCc1ccc([C@@H](C)C(=O)NCc2ccoc2C(=O)O)cc1 659197610 HBAGGGYFPGUZDI-LLVKDONJSA-N 301.342 2.960 0 50 DFAA Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[C@@H]3C2)N2CCCC2)o1 660531656 YBZGMNRDQRZHCS-OAGGEKHMSA-N 317.433 2.776 0 50 DFAA O=C(c1cnccc1Oc1ccccc1)N1CC([C@H]2CCOC2)C1 669722856 CRCSSKDABOAXDE-AWEZNQCLSA-N 324.380 2.982 0 50 DFAA O[C@H](C1CCN(c2ncc(Cl)s2)CC1)C(F)(F)F 680896992 QMQVAYSIEVHDMB-MRVPVSSYSA-N 300.733 2.936 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCC2(Cn3nc(C)cc3C)CC2)n1 1506399214 LDMMCIFEHBOXAU-OAHLLOKOSA-N 315.465 2.772 0 50 DFAA CCCOc1ccccc1-c1nnc(N2CC[C@H](N(C)C)C2)o1 1704314815 UMXXWRUKSLPXBB-ZDUSSCGKSA-N 316.405 2.666 0 50 DFAA Cc1ncc2c(n1)CCN(Cc1ccc(C(=O)O)cc1Cl)C2 1616033649 RTEZWTBQFSSVRK-UHFFFAOYSA-N 317.776 2.695 0 50 DFAA 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324.424 2.835 0 50 DFAA COC(=O)c1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1F 366443970 QLLAEFQKSYFFJI-HNNXBMFYSA-N 321.392 2.861 0 50 DFAA Cc1[nH]nc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1C 265272467 WFIPMVNRLUYFIW-UHFFFAOYSA-N 318.808 2.642 0 50 DFAA C[C@@](CC(=O)O)(NC(=O)C1=CCCCCC1)c1ccccn1 911618786 ZEWDQGXYTQFKGE-KRWDZBQOSA-N 302.374 2.778 0 50 DFAA CN1CCc2cc(NCc3ccc4c[nH]nc4c3)ccc2C1=O 864017121 RLANGHRJSPCLMJ-UHFFFAOYSA-N 306.369 2.803 0 50 DFAA C[C@H]1CC2(CCCC2)CN1C(=O)[C@H](C)n1cc(C2CC2)nn1 1875323488 JTSCJELEQGNPJV-STQMWFEESA-N 302.422 2.898 0 50 DFAA CC(=O)NC1(c2ccc(OC[C@H]3C[N@]3CC(C)C)cc2)CC1 1875385477 UFIGEHJXHIZZPP-UZLBHIALSA-N 302.418 2.531 0 50 DFAA COC1(OC)CC2(CN(Cc3c(C)nn(C)c3C)[C@H]2C(C)C)C1 877871561 QZBWBBQLZJYFOC-INIZCTEOSA-N 321.465 2.646 0 50 DFAA C[C@H]1Cc2cc(CN3CCC(Nc4cccnn4)CC3)ccc2O1 891956570 VWJMGAPWIAOWSH-AWEZNQCLSA-N 324.428 2.877 0 50 DFAA C[C@@H]1C[C@H](CO)CCN1C(=O)c1cscc1C(F)(F)F 629672082 LVMKKEDESBNLHT-RKDXNWHRSA-N 307.337 3.000 0 50 DFAA 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0 50 DFAA COc1cccc(NC(=O)[C@H](C)n2cnc3ccccc3c2=O)c1 2995744 UZQCTQDVCMIONS-LBPRGKRZSA-N 323.352 2.605 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cc(C)nc3onc(C)c23)CC1 2356158577 PSFJTXYXCMPBSW-HAQNSBGRSA-N 303.362 2.527 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100627057 GVYPEOMHGUHARS-WBRVRECLSA-N 321.760 2.810 0 50 DFAA CCn1cnc(NC(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)n1 20996535 AUIYJQYUTLLQQE-STQMWFEESA-N 303.410 2.802 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2cc3ccccn3n2)c1 55413171 DKJLGTYGHJCFDK-AWEZNQCLSA-N 308.385 2.741 0 50 DFAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccco1 249687095 HDYJNRRRIYGEGR-JONQDZQNSA-N 302.418 2.858 0 50 DFAA CN(CC1CC1)C(=O)c1coc(COc2ccccc2F)n1 67727299 GJJDZLRVLUPMNM-UHFFFAOYSA-N 304.321 2.875 0 50 DFAA CC(C)C(=O)N1CCC(CN[C@@H](C)COc2ccccc2)CC1 65530908 UZFNFGCNGVWTIZ-INIZCTEOSA-N 318.461 2.938 0 50 DFAA CC(C)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 67790755 MWWAJWHURRVPRU-SFHVURJKSA-N 305.441 2.821 0 50 DFAA COc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1 28403905 PJCUADAVJLVXQT-HNNXBMFYSA-N 324.380 2.682 0 50 DFAA Cn1ncc(N[C@@H]2CCCOc3ccc(F)cc32)c(Cl)c1=O 350239115 GNPRIKMLLHWEAV-LLVKDONJSA-N 323.755 2.899 0 50 DFAA CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cncnc1N(C)C 331027194 XDVDLDIVLSFMEZ-GUTXKFCHSA-N 320.437 2.855 0 50 DFAA COc1cc(O[C@@]23CCCN(CC2)C3)ccc1CN1CCCC1 67847555 KEIZQAYHONCJDJ-IBGZPJMESA-N 316.445 2.908 0 50 DFAA CC1(C(=O)N2CCC[C@](CO)(Cc3ccccc3F)C2)CC1 11813154 HCQUCXITEVHFMR-SFHVURJKSA-N 305.393 2.769 0 50 DFAA CC(C)(C(=O)N1CCC[C@@H](c2ccccc2)CC1)S(C)(=O)=O 331541270 OIDQDIWRKXPSBX-OAHLLOKOSA-N 323.458 2.606 0 50 DFAA CCn1nc(C)c(S(=O)(=O)N2CC(C)(C)[C@@H]2C(C)C)c1C 331604617 VVJCECPCSLDHGT-AWEZNQCLSA-N 313.467 2.575 0 50 DFAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@H](N1CCCCCC1)C2 67868304 KNWBKIIGADMJPN-AWEZNQCLSA-N 319.449 2.971 0 50 DFAA COC(=O)c1c(C(=O)OC)c(-c2ccc(C)cc2)n2c1CCC2 1385012 DDJLGIINWFZZIF-UHFFFAOYSA-N 313.353 2.983 0 50 DFAA C[C@@H](Sc1ncnc2[nH]cnc12)c1cn(-c2ccccc2)nn1 127895768 OECDIRLWQMPPDR-SNVBAGLBSA-N 323.385 2.787 0 50 DFAA CC(C)CCN1CCN(C/C=C/c2ccco2)C[C@H]1CCO 36385694 IOYNWBYOMNRSSR-NJELEJDNSA-N 306.450 2.708 0 50 DFAA Cc1noc([C@@H]2CCCN(Cc3nnc(C(C)C)s3)C2)n1 333540031 KWVWTSHXCBQZJP-LLVKDONJSA-N 307.423 2.733 0 50 DFAA C[C@H](N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 130165942 QWJBRAJWLHSRDC-CFVMTHIKSA-N 322.453 2.907 0 50 DFAA CCc1cc(CN(C)Cc2cnc(N3CCCC3)s2)on1 215404178 VLYWXDAUMFOGBE-UHFFFAOYSA-N 306.435 2.926 0 50 DFAA COC(=O)c1nc([C@H]2CCCN2CC2=CCCOC2)sc1C 253430403 ZROPEBBQJZVPBW-CYBMUJFWSA-N 322.430 2.722 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1cc(=O)n2ccccc2n1 151064654 MZYBRZRFFOOPCF-KBPBESRZSA-N 315.417 2.724 0 50 DFAA O=C(C/C=C/c1ccccc1F)N1CCC[C@@H]1Cn1cncn1 363040192 OXNUJIOPSDSZLO-YFCVBGDOSA-N 314.364 2.512 0 50 DFAA Cc1cc2nc(C(C)C)cc(N3CCCN4CCC[C@H]4C3)n2n1 72429451 LWMJHVLFXZSXCX-HNNXBMFYSA-N 313.449 2.836 0 50 DFAA CCc1nc2ccccc2n1C1CCN(C(=O)NOC)CC1 133654407 MARJGZNBBUEDIE-UHFFFAOYSA-N 302.378 2.507 0 50 DFAA CC(C)C[C@@H](C(=O)Nc1cccc(O)c1)N1CCCCC1=O 134026134 OQXPWIWAOLGSKM-HNNXBMFYSA-N 304.390 2.758 0 50 DFAA CCn1cc(CCN[C@@H](C)c2ccccc2-n2cccn2)cn1 375697100 KCOHHLWCJBPDHN-HNNXBMFYSA-N 309.417 2.982 0 50 DFAA CN(CCSc1ccccc1)C(=O)NC[C@@H]1CCCCN1C 426477354 IHDZSUDNIFJEAM-HNNXBMFYSA-N 321.490 2.904 0 50 DFAA CNC[C@@H]1CCN(C(=O)CCCOc2ccccc2Cl)C1 179026818 AMQMPLGSPOIRAP-ZDUSSCGKSA-N 310.825 2.567 0 50 DFAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(O)cc3)CC2=O)cc1 82120359 XUHHAUKDMXVSHK-CQSZACIVSA-N 324.380 2.578 0 50 DFAA O[C@@H](CN1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1 291053788 ITBQMFCCUVDFGU-HNNXBMFYSA-N 314.351 2.519 0 50 DFAA CC[C@H]1CN(c2ccc(Cn3ccnc3)cn2)CCN1C(C)C 82167306 LVWZAHBKKQISSR-KRWDZBQOSA-N 313.449 2.635 0 50 DFAA c1cc(-c2nnn(Cc3ccn(C4CCCC4)n3)n2)cs1 268613309 LHYZLCGHROGYQW-UHFFFAOYSA-N 300.391 2.762 0 50 DFAA CCCc1cc(N2CCC(NCCOC(C)C)CC2)nc(C)n1 95502122 VSGZVESUYNCXPQ-UHFFFAOYSA-N 320.481 2.721 0 50 DFAA Cn1cc(CN(Cc2cnc(N3CCCC3)s2)C2CC2)cn1 97785468 MIVMMROGFQNYSM-UHFFFAOYSA-N 317.462 2.641 0 50 DFAA COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H]1C(=O)O 237258040 NNDDYOYJSURCQJ-BBRMVZONSA-N 317.385 2.581 0 50 DFAA CCCn1ncc(C(=O)N2CCC[C@@H]2c2cc(C)no2)c1C 91476120 IBGZMKQRNVSIKI-CQSZACIVSA-N 302.378 2.875 0 50 DFAA CCSCCC(=O)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91364643 XKWDWHDAXGUFJB-QGZVFWFLSA-N 324.490 2.523 0 50 DFAA CC(C)Oc1ccc(OCCN2C[C@@H]3CC[C@H](C2)[C@@H]3O)cc1 252483788 FIHODFVBNUBOLB-HWWDLCQESA-N 305.418 2.555 0 50 DFAA CCc1nc(C)c(C(=O)NC2(c3ccccc3)CCOCC2)o1 534658226 DJDGMCGHTOOVPH-UHFFFAOYSA-N 314.385 2.981 0 50 DFAA Cc1nccn1CC(=O)N(C)CCCOc1ccc(Cl)cc1 297649711 IGXOMUVFMKOXNI-UHFFFAOYSA-N 321.808 2.772 0 50 DFAA O=C(O)CCCCCCN1C(=O)C[C@H](c2ccccc2)C1=O 386434753 PKTLZTUGLCCPNH-CQSZACIVSA-N 303.358 2.564 0 50 DFAA CCSCCC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 299799619 UTDBUAQYPXDVST-INIZCTEOSA-N 306.475 2.768 0 50 DFAA C[C@H](CC(F)(F)F)NCc1nncn1CCc1ccccc1 820978126 UNGUGABEFIGEOM-GFCCVEGCSA-N 312.339 2.951 0 50 DFAA CN(CCC(=O)NC1CCCCCCC1)CC1(CO)CCC1 670471752 DKTICCYZUYPXSH-UHFFFAOYSA-N 310.482 2.700 0 50 DFAA CCC[C@H](NC(=O)CCc1nnc(C)n1C)c1ccccc1 1875280195 ZFJSCQFUJOAPON-HNNXBMFYSA-N 300.406 2.714 0 50 DFAA C[C@@H]1c2ccccc2N(S(=O)(=O)c2c[nH]nc2Cl)[C@@H]1C 1875280968 JAIHNEDQKYQSFY-DTWKUNHWSA-N 311.794 2.764 0 50 DFAA Cc1cc(C)c(CN[C@H](C)c2n[nH]c(C)n2)c(-n2cccn2)c1 952990482 VNEPLGKFBFIINJ-CYBMUJFWSA-N 310.405 2.766 0 50 DFAA O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)N[C@H]1C[C@H]1C(F)F 888101574 JRJPRAIBSAYFEU-FQUUOJAGSA-N 310.344 2.512 0 50 DFAA Cc1nc(CN2CCN(c3nc4ccccc4[nH]3)CC2)cs1 270541655 CGEJFUMZFJIHJM-UHFFFAOYSA-N 313.430 2.650 0 50 DFAA CC[C@@H]1CCCC[C@@H]1N1CCC(NC(=O)C2CCOCC2)CC1 170086837 PHYRNVCQZCFINJ-QAPCUYQASA-N 322.493 2.962 0 50 DFAA O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]12 170665625 GKRNLBDCAXEKTB-WRQOLXDDSA-N 318.392 2.938 0 50 DFAA Cc1nc2ccc(C(=O)N(C3CCNCC3)C3CC3)cc2nc1C 649269361 YPBNBZVSRPPDML-UHFFFAOYSA-N 324.428 2.603 0 50 DFAA O=c1cc(CO)occ1OCc1csc(-c2cccs2)n1 194648258 ATUALACMQWHGIV-UHFFFAOYSA-N 321.379 2.896 0 50 DFAA O=C(C1CCCC1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529101306 CCKLQSGBBLAXKJ-VQIMIIECSA-N 324.424 2.787 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2cccc3c2CCC3=O)s1 1529194619 AWTQOZGZKVNHRT-QMMMGPOBSA-N 317.370 2.627 0 50 DFAA Cc1ccccc1N1C(=O)C(=Cc2ccc[nH]2)C(O)=NC1=S 13775381 OUNSYHXRBPRJPH-UHFFFAOYSA-N 311.366 2.995 0 50 DFAA Cc1ccc(SC2CCN(c3nnc(CN)o3)CC2)cc1 1772705560 LWCLKJBHCJQIBP-UHFFFAOYSA-N 304.419 2.598 0 50 DFAA COc1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 5550225 JYUZYRJENNRMRM-UHFFFAOYSA-N 310.353 2.840 0 50 DFAA CN(Cc1ccccc1)C[C@]1(O)CCCN(CC(C)(C)C)C1=O 12432443 OQAAYONMPAOBQS-LJQANCHMSA-N 318.461 2.518 0 50 DFAA Cc1c(C)n(Cc2ccco2)c2ncnc(SCCO)c12 16622429 KHBVIEHLDSCKOH-UHFFFAOYSA-N 303.387 2.774 0 50 DFAA c1ccc2c(c1)oc1c(NCCCN3CCOCC3)ncnc12 19356986 IWFJSEPNMYSUEU-UHFFFAOYSA-N 312.373 2.510 0 50 DFAA Cc1nc(CCNC(=O)[C@@H](C)Sc2ccccn2)sc1C 151428246 ATIKSYRQKHNFEW-GFCCVEGCSA-N 321.471 2.994 0 50 DFAA Cc1cc(Cn2cnc3c(-c4ccccc4)nsc3c2=O)no1 608052748 OZSSBRIENZSIBP-UHFFFAOYSA-N 324.365 2.865 0 50 DFAA Cc1noc([C@H]2CCN(c3ccc(Br)c(C)n3)C2)n1 408456891 MACFXDUJWHKBFR-JTQLQIEISA-N 323.194 2.838 0 50 DFAA O=C1CCCN1CSc1nnc(-c2c[nH]c3ccccc23)o1 328589761 ZMVAGGQGJKCVRD-UHFFFAOYSA-N 314.370 2.890 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)O 237671273 VWCKFAMUKVOQHR-UONOGXRCSA-N 305.374 2.700 0 50 DFAA CCOC(=O)c1cn2cc(Cl)cc(Br)c2n1 12336586 FOHQDZNEJCDSSN-UHFFFAOYSA-N 303.543 2.927 0 50 DFAA in-vitro O=C(N[C@H]1CCCN(c2cccnn2)C1)c1coc2ccccc12 135301323 PWASFFWBSAVYGY-ZDUSSCGKSA-N 322.368 2.622 0 50 DFAA CNc1cc(-c2noc([C@@H]3CCc4ccccc4O3)n2)ncn1 904244964 WTFOXACPGDEGEW-ZDUSSCGKSA-N 309.329 2.635 0 50 DFAA Cc1c(NC(=O)c2cc(-c3ccncc3)on2)cccc1C(=O)O 917660393 ABULEDSLOFPMTG-UHFFFAOYSA-N 323.308 2.996 0 50 DFAA Cc1occc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 106833 QQHCCSGKKDJVAZ-UHFFFAOYSA-N 311.341 2.638 0 50 DFAA O=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1cccnc1 113010053 CQDCXSHQAMVKHU-UHFFFAOYSA-N 311.316 2.735 0 50 DFAA COc1ccccc1-c1nn2c(C(F)(F)F)nnc2s1 2240943 DKEGOMQFEWEYLM-UHFFFAOYSA-N 300.265 2.880 0 50 DFAA COc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)c(OC)c1OC 8553109 QDBBFORVWWODCU-QIIPPGSGSA-N 321.417 2.668 0 50 DFAA CCc1ncc(CN2CCO[C@H](Cc3cccc(F)c3)C2)cn1 20780562 MHKHXRZKPOUJGZ-QGZVFWFLSA-N 315.392 2.622 0 50 DFAA O=C(CCCNC(=O)OCc1ccccc1)Nc1ccncc1 13208207 BBAHAFSSKKVACV-UHFFFAOYSA-N 313.357 2.727 0 50 DFAA CCc1nccn1C[C@H](C)NCc1n[nH]c2c1CCCCC2 67433634 WREIPLOPFUQSKZ-ZDUSSCGKSA-N 301.438 2.616 0 50 DFAA CC(C)[C@H](C(=O)NCc1ccco1)N1Cc2ccccc2C1=O 20531321 ZHDXYXBRUVDTAR-MRXNPFEDSA-N 312.369 2.576 0 50 DFAA CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CCCNC3)C2)cc1 67674695 PWGUWMPVBDDIJT-KRWDZBQOSA-N 322.474 2.574 0 50 DFAA CC(C)n1nccc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 328608632 ASGVEPKNBHKZKE-NVXWUHKLSA-N 313.401 2.972 0 50 DFAA Oc1ccc([C@H](Cc2nc(-c3cnccn3)no2)C2CC2)cc1 351192446 QTHNMBQKRHNQBR-CQSZACIVSA-N 308.341 2.969 0 50 DFAA NC(=O)CCc1nc(C2CC2)nn1-c1cccc2ccccc12 65526453 CVEPGNWBPUHNFR-UHFFFAOYSA-N 306.369 2.716 0 50 DFAA CC(C)c1ncc(C(=O)N2CC[C@H](Oc3cccnc3)C2)s1 151439218 YWSZNJIVZRXRQQ-ZDUSSCGKSA-N 317.414 2.955 0 50 DFAA CC(C)(C)c1ccc(C(=O)NC[C@H]2CCCCN2CCO)s1 331321701 KZVXAJYJIKLATP-CYBMUJFWSA-N 324.490 2.622 0 50 DFAA COc1ccc(CCC(=O)N(C)Cc2c(C)nn(C)c2C)cc1 355860 YJSACQIGHANRMJ-UHFFFAOYSA-N 315.417 2.637 0 50 DFAA C[C@@H]1COCCN1C(=O)c1ccc(Br)c(Cl)c1 127840190 DJPBIAXDBKJHBQ-MRVPVSSYSA-N 318.598 2.963 0 50 DFAA Cc1csc([C@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)n1 128030389 HLYSWSBBWSSKCE-OAHLLOKOSA-N 314.414 2.901 0 50 DFAA CCN1C[C@@H](COc2ccc(Br)cc2)OC1=O 71772279 ZVERDPGTSTURNP-NSHDSACASA-N 300.152 2.669 0 50 DFAA C[C@H](CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C1CC1)C(=O)O 237616044 FYJOXYUIMNEHIP-WQAKAFBOSA-N 323.339 2.780 0 50 DFAA O=C(c1ccccc1NCCCCCF)N1CCC[C@@H](O)C1 253415852 IBXNTGRNVXALSI-CQSZACIVSA-N 308.397 2.835 0 50 DFAA CN(C[C@@H](O)c1ccccc1)c1nncc(-c2cccc(F)c2)n1 12595971 PVCQARWWUPYBQJ-QGZVFWFLSA-N 324.359 2.848 0 50 DFAA C[C@@H](Nc1ccc2nc(C(F)F)sc2c1)c1nnnn1C 241776864 RTEOLZOYXWRSKW-ZCFIWIBFSA-N 310.333 2.931 0 50 DFAA O=C(CCOc1ccc2ccccc2c1)N1C[C@@H](F)C[C@H]1CO 366020586 WBCZWAQCFHDRRK-HOTGVXAUSA-N 317.360 2.540 0 50 DFAA CCn1nc(C)c(C(=O)N2CCC(N3CCCCC3)CC2)c1C 339216187 PYCRGTJZPMMBDL-UHFFFAOYSA-N 318.465 2.610 0 50 DFAA NC[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1c1ccccc1 261759524 NYUAHLQYAHKVHG-CJNGLKHVSA-N 316.351 2.779 0 50 DFAA O=C(c1cc(F)c(F)c(F)c1F)N1CCCCC[C@H]1CO 134076693 ZGVRTZXCUZNDKM-QMMMGPOBSA-N 305.271 2.620 0 50 DFAA Fc1ccc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)cc1 71780040 KZFNYLYYKDGKSV-AWEZNQCLSA-N 303.337 2.660 0 50 DFAA CCc1cc(N2CCC[C@@](CO)(CC(C)C)C2)n2nccc2n1 72454789 XNIYPCZSTMSMCG-GOSISDBHSA-N 316.449 2.917 0 50 DFAA Cc1ccc([C@H](O)CN2CC[C@@H](OCc3ccncc3)C2)cc1 287975726 ZRKVBEULSWESMY-RTBURBONSA-N 312.413 2.715 0 50 DFAA Cc1csc([C@H]2CN(C[C@@H](O)c3ccccc3F)CCO2)n1 222187985 BOAFBMKFZLHXCT-HUUCEWRRSA-N 322.405 2.698 0 50 DFAA CCN(Cc1cccc(-c2ccncc2)c1)C(=O)[C@H](C)C(=O)O 263569700 ZORHOSSGMUSERA-ZDUSSCGKSA-N 312.369 2.818 0 50 DFAA CCC1=NO[C@H](CNC(=O)c2cccc(-c3cncc(N)c3)c2)C1 426374293 OUJSHDKETNTAST-KRWDZBQOSA-N 324.384 2.616 0 50 DFAA CCc1ccc(C(=O)NC[C@H]2CCCN(c3ccccn3)C2)[nH]1 220142795 PYSVGHCSCHUIGZ-CQSZACIVSA-N 312.417 2.619 0 50 DFAA C[C@@H]1CN(Cc2cnn(CC(F)F)c2)Cc2ccccc2O1 294047267 WSZXIJWUGVBZFC-GFCCVEGCSA-N 307.344 2.931 0 50 DFAA O=S1(=O)CC[C@@H](c2csc(Cc3cccc(F)c3)n2)C1 294903139 ASPXJOGXRCHTRL-LLVKDONJSA-N 311.403 2.775 0 50 DFAA CCOc1ccc(CCNC(=O)c2cnc(C3CC3)nc2)cc1 97815202 UVZNICDBZPGJIJ-UHFFFAOYSA-N 311.385 2.725 0 50 DFAA O=C(Nc1ccc2c(c1)COC2)N1CCC[C@H](c2ccncn2)C1 96142169 PRRRHYQJDOFTRQ-ZDUSSCGKSA-N 324.384 2.918 0 50 DFAA CCOCc1cc(CN(C)Cc2nnc(C)o2)ccc1OC 97334348 SUAITZROGJXIDT-UHFFFAOYSA-N 305.378 2.555 0 50 DFAA CN(C)[C@@H](C(=O)NCCCc1ccncc1)c1cccc(F)c1 95378955 BOTVANYHOMWNLP-QGZVFWFLSA-N 315.392 2.572 0 50 DFAA O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@@H]1c1nc[nH]n1 181394885 ZVYMWHQSWAUFCC-CYBMUJFWSA-N 324.306 2.518 0 50 DFAA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1ccnc(N2CCCC2)c1 181458874 AZRKEYBDWOKALM-NXHRZFHOSA-N 315.461 2.975 0 50 DFAA O=C(C1CC1)N1CCC(C(=O)N2CC[C@H]2c2cccs2)CC1 91876607 OIDDLVYXFHMWJU-AWEZNQCLSA-N 318.442 2.670 0 50 DFAA COCc1noc([C@@H](C)N(C)Cc2cc(F)c(F)c(F)c2)n1 182475375 FZJQPHJKSDVFHS-MRVPVSSYSA-N 315.295 2.826 0 50 DFAA Cc1ccc(C(=O)N[C@@H](c2nccn2C)C2CC2)n1C(F)F 534667902 RKNNIURAFNQRAB-GFCCVEGCSA-N 308.332 2.806 0 50 DFAA Cc1nccn1CC(=O)NCC1(c2cccc(F)c2)CCCC1 534644244 XLWUHUUOEFTDOU-UHFFFAOYSA-N 315.392 2.959 0 50 DFAA Cc1n[nH]c(-c2ccc(NC(=O)c3ccn(C(C)C)n3)cc2)n1 264956460 CSLMQNLNJGIDIA-UHFFFAOYSA-N 310.361 2.810 0 50 DFAA CN(C)c1noc(CN(Cc2ccc(Cl)cc2)C2CC2)n1 185248880 HVHOSUCCGGIABJ-UHFFFAOYSA-N 306.797 2.954 0 50 DFAA CC(C)n1ccnc1-c1cccc(C(=O)NCCc2cn[nH]c2)c1 299787119 ZAWHLWZPKOAGFX-UHFFFAOYSA-N 323.400 2.827 0 50 DFAA O=C1CN(CC[C@@H]2CC2(F)F)CCN1Cc1ccc(F)cc1 670437258 PFHKRIHDSUVTQB-CYBMUJFWSA-N 312.335 2.515 0 50 DFAA O=S(=O)(c1ccoc1)N1CCC[C@@H](c2ccncc2)CC1 952993402 XHBRYGBNEMALRY-CYBMUJFWSA-N 306.387 2.633 0 50 DFAA O=C(O)[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CC23CCOCC3)cc1 630328400 ORWFCKOOKKDVMO-ZNMIVQPWSA-N 315.369 2.630 0 50 DFAA C[C@H]1C[C@H](c2ccccc2)CN(Cc2cc(=O)n3nccc3[nH]2)C1 1875265685 LOWUGAVUEMRKTL-HOCLYGCPSA-N 322.412 2.648 0 50 DFAA COC(=O)[C@@H](CC1CC1)NC(=O)c1cc2cccc(C)c2[nH]1 1875266063 POQJFNMVVATGCW-CQSZACIVSA-N 300.358 2.548 0 50 DFAA CC(C)(C)OC(=O)NCCSCCNC(=O)OC(C)(C)C 882522533 WYOUASZZACANGY-UHFFFAOYSA-N 320.455 2.769 0 50 DFAA Cc1cc(NC2CCN(c3cccnn3)CC2)nc(C2CCC2)n1 893489062 XIWOPHXFRITPAF-UHFFFAOYSA-N 324.432 2.923 0 50 DFAA O=Cc1c(C(=O)O)sc(Br)c1Br 1775956214 CNJIPYIKBUOZOJ-UHFFFAOYSA-N 313.954 2.784 0 50 DFAA CC(=O)NCc1ccc(CN[C@H]2CCCc3ncccc32)cc1 631646120 XINSPMHBGZYPFJ-IBGZPJMESA-N 309.413 2.885 0 50 DFAA CCc1nnc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)o1 276067788 UNANQAQDNNAEKC-CQSZACIVSA-N 315.421 2.581 0 50 DFAA CCN(Cc1ccc(OC)cc1OC)C(=O)[C@@H]1CCCO[C@H]1C 276584990 NOJCGYABJMDPFQ-XJKSGUPXSA-N 321.417 2.867 0 50 DFAA Cc1cc(-c2ncccc2NC(=O)[C@@H](C)n2cncn2)cs1 186898650 WOPSNDRCBBJTID-LLVKDONJSA-N 313.386 2.910 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 221921059 KQGBHPIZZMUHLM-IXDOHACOSA-N 309.365 2.775 0 50 DFAA C[C@H](CC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1 225299498 IYGZTLQOQJZDNP-QBIMZIAESA-N 321.392 2.774 0 50 DFAA CCO[C@@H](C(=O)N1C[C@H](C)Oc2ncccc21)c1ccccc1 170608853 XZLCEEILFTXPFZ-XJKSGUPXSA-N 312.369 2.973 0 50 DFAA C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CC2(O)CCCCC2)C1 170626704 PWZVQLYHYOIESK-HZPDHXFCSA-N 324.509 2.944 0 50 DFAA CCN1CCN(C(=O)c2cnc(C(C)(C)C)s2)C(C)(C)C1=O 188178760 LGSKQXXXPTTXEC-UHFFFAOYSA-N 323.462 2.524 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)C2CC2)c2ccc(Br)cc21 639429504 FAIFXSJFDOIXMT-SNVBAGLBSA-N 324.174 2.764 0 50 DFAA C[C@@H]1CN(CCN2CCC[C@@H]2Cc2cccc(F)c2)CCO1 191464026 AGZNZVMPVPWWDT-CRAIPNDOSA-N 306.425 2.553 0 50 DFAA O=C(CCc1ccncn1)N1CC[C@@H](Cc2ccc(F)cc2)C1 192361116 OWVKAXRODXTJFV-HNNXBMFYSA-N 313.376 2.640 0 50 DFAA C[C@@H](NC(=O)C(C)(C)C(=O)O)c1ccc(OC(F)(F)F)cc1 649241608 GYUDMDYMWVXVHZ-MRVPVSSYSA-N 319.279 2.873 0 50 DFAA COc1ccc(Br)cc1[S@](=O)C[C@@H]1CCCO1 194570011 DVCQIWZXQOJCIR-DYZYQPBXSA-N 319.220 2.744 0 50 DFAA C[C@H](C(=O)Nc1ccccc1)N1CC[C@H](CNc2ccccn2)C1 195515634 ASWKPKOETKLQGU-HZPDHXFCSA-N 324.428 2.843 0 50 DFAA CCN(C(=O)c1ccc(OCC(=O)O)cc1)c1nc(C)cs1 663091356 WGXOQONVDFDAKB-UHFFFAOYSA-N 320.370 2.582 0 50 DFAA CCOc1cccc(CNC(=O)C[C@@H]2NC(=O)c3ccccc32)c1 585121090 FVDIHNRTLHVOFY-KRWDZBQOSA-N 324.380 2.576 0 50 DFAA Cc1noc(C)c1CNc1cc(C(=O)N2CCCC2)ccn1 1704298102 DKWOIBXICOKFDE-UHFFFAOYSA-N 300.362 2.535 0 50 DFAA CCCN(C(=O)c1cnn2cc(C)ccc12)[C@@H]1CCCC[C@H]1O 1772805732 QAGQLAPZUNUJIB-IAGOWNOFSA-N 315.417 2.798 0 50 DFAA Cc1ccc(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)cc1 1775981649 BQFDAXSANCXUGD-MRXNPFEDSA-N 304.434 2.564 0 50 DFAA NC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1 5728927 UCGBDBJPZCJHHH-UHFFFAOYSA-N 316.158 2.863 0 50 DFAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCC)C3 14992524 SNBLVHUHTWRUQR-LLVKDONJSA-N 305.447 2.725 0 50 DFAA O=S(=O)(Cc1c(F)cccc1Cl)Nc1cccnc1 16578977 VJWCZFUTARWOAR-UHFFFAOYSA-N 300.742 2.816 0 50 DFAA Cc1c(C(=O)Nc2cccc([C@H](C)O)c2)nnn1-c1ccccc1 16649844 ZABZUHXUDIABDH-ZDUSSCGKSA-N 322.368 2.881 0 50 DFAA CSCC[C@@H](CO)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 155006019 VXEIVSMJQNGPJD-ZDUSSCGKSA-N 306.431 2.629 0 50 DFAA biogenic O=C1CN(c2cnc3ccccc3n2)CCN1C1CCCCC1 1857699188 QVMYKGAKWYHZEX-UHFFFAOYSA-N 310.401 2.611 0 50 DFAA COc1nc2ccccc2cc1-c1cccc(OCC(N)=O)c1 1875245803 SCQWZZQFKUFAQC-UHFFFAOYSA-N 308.337 2.775 0 50 DFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nc2ccccc2s1 100293312 DYFKMYSUQISRAG-NGERZBJRSA-N 314.366 2.758 0 50 DFAA Cc1ccc(N[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 1060555 AQZPIVMASFAHQG-KRWDZBQOSA-N 308.381 2.777 0 50 DFAA O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1 121415776 CCTSODGRZFZZJK-SMDDNHRTSA-N 321.327 2.533 0 50 DFAA CC[C@H](C)n1nc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1C 330687552 NMBDJZJGTWYXJK-NSHDSACASA-N 317.437 3.446 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@]3(C)CCO[C@@H]3C)cc2)n1 331675312 QWPOFSVFWRHXIW-KDOFPFPSSA-N 313.401 2.786 0 50 DFAA CO[C@@H](CC(=O)Nc1ccc(C(=O)O)c(C)c1)C(F)(F)F 652059863 HEFNAQOMPOOURM-JTQLQIEISA-N 305.252 2.599 0 50 DFAA COC(=O)C[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 584908853 OZNIVTKFSHOZEN-ARLBYUKCSA-N 316.401 2.628 0 50 DFAA Cc1ccn2cnnc2c1NC(=O)Cc1cccc(Cl)c1 813383934 YOMCSEGWKKANHS-UHFFFAOYSA-N 300.749 2.872 0 50 DFAA CCn1nccc1CCn1ccnc1[C@H](O)C1CCCCC1 849946646 AXVBTGAQILMJIO-MRXNPFEDSA-N 302.422 2.956 0 50 DFAA Cc1cc(C2CN(C(=O)[C@@H]3CCO[C@H]3c3ccccc3)C2)no1 2325791363 SNFRPLXGSQJHCA-WBVHZDCISA-N 312.369 2.687 0 50 DFAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 134983 SPGKJQKFWGZGCP-GOSISDBHSA-N 313.328 2.653 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)cc1 202658 LPIHGSMSHGSVKF-RDTXWAMCSA-N 317.385 2.824 0 50 DFAA biogenic COc1cc(OC)cc(C(=O)NCc2ccccc2OC)c1 299419 AXGLJHBWEHPMKG-UHFFFAOYSA-N 301.342 2.642 0 50 DFAA Cc1ccc(C(C)C)c(OCCN2C(=O)NC(C)(C)C2=O)c1 618393 OZFBNUKAFPUAFB-UHFFFAOYSA-N 304.390 2.828 0 50 DFAA O=C(Cc1ccccc1)NCC(=O)OCc1ccc(Cl)cc1 1165241 JMPHMSYGWBXSMB-UHFFFAOYSA-N 317.772 2.742 0 50 DFAA O=C(NCCOc1ccccc1)c1cncc(Br)c1 2170600 KVBQDTRSTBREPJ-UHFFFAOYSA-N 321.174 2.653 0 50 DFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCCCCc1ccccc1 2757096 BYKCRQQMVNPFKN-HZPDHXFCSA-N 301.386 2.793 0 50 DFAA O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc2ccccc2o1 2839060 QEBJTUMYOUHITB-UHFFFAOYSA-N 306.277 2.569 0 50 DFAA CCCCc1nnc2n1[C@@H](C)C(=O)N(CCc1ccccc1)C2 2356162939 URTZQUCPCOBTIS-AWEZNQCLSA-N 312.417 2.767 0 50 DFAA Cc1nc2ccnn2c(N2CCC(Oc3cccnc3)CC2)c1C 2356170288 YYAZSQIXSYRLSE-UHFFFAOYSA-N 323.400 2.789 0 50 DFAA CNc1ncccc1CN(CCN(C)C)Cc1ccsc1 55196645 HZARSTDEERKFPD-UHFFFAOYSA-N 304.463 2.749 0 50 DFAA CC(C)(C)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 10324808 NZXSINFPHHCGIS-UHFFFAOYSA-N 316.445 2.641 0 50 DFAA COc1ccc(CCCNS(=O)(=O)c2ccccc2)cc1 10543157 QQCXYMMEPLEMDK-UHFFFAOYSA-N 305.399 2.606 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cccc2cccnc12 248085590 BELNUAOCJBCTTA-ZWKOTPCHSA-N 323.440 2.863 0 50 DFAA Cc1cc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)no1 328604723 LAXANMGBESCJES-QGZVFWFLSA-N 300.406 2.522 0 50 DFAA CC(C)c1nccn1[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 65425663 YTWQPKSKESYMPJ-LBPRGKRZSA-N 315.373 2.613 0 50 DFAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1ccccn1 65396096 YJKUWLAPJUJANK-CYBMUJFWSA-N 304.353 2.956 0 50 DFAA CC(=O)c1ccccc1OCCN1CCO[C@@H]2CCCC[C@H]21 230198259 JUUHISQANLUENJ-SJLPKXTDSA-N 303.402 2.911 0 50 DFAA CC[C@H](O)C(=O)NCc1cccnc1Oc1c(C)cccc1C 67588095 DHEHEAABBBAQLX-HNNXBMFYSA-N 314.385 2.878 0 50 DFAA Cc1cc(NCc2cccc3[nH]ccc23)nc(N2CCOCC2)n1 67895578 NKWQRZSTUUJVFX-UHFFFAOYSA-N 323.400 2.715 0 50 DFAA CNc1snc(C)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 125427887 IGECKOGMJHXMSZ-RTXFEEFZSA-N 321.446 2.571 0 50 DFAA CC(C)[C@H]1CN(Cc2cccnc2)CCC(=O)N1CC1CC1 71754097 WIUPEDLTVRVQCR-QGZVFWFLSA-N 301.434 2.551 0 50 DFAA COCC1(C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)CCC1 67587831 UQVSIDIKFQPJKL-UHFFFAOYSA-N 301.390 2.646 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2CCO)C1 252486178 GJGABFNRPNAOJX-MELADBBJSA-N 300.468 2.607 0 50 DFAA Cn1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)ccc1=O 77489280 BYJLHHYJLWKXAV-INIZCTEOSA-N 314.360 2.892 0 50 DFAA COc1cccc(CCC(=O)N2CCCC[C@H]2CCC(=O)O)c1 237374322 SBBGHFRSKUNLLM-HNNXBMFYSA-N 319.401 2.874 0 50 DFAA Cc1cc(CCCC(=O)N[C@H]2CNCCC2(F)F)c(C)s1 449663503 JNZDFPPNPCHZOY-ZDUSSCGKSA-N 316.417 2.801 0 50 DFAA CC(=O)Nc1ccc(-c2nccn2C[C@@H]2CCCCN2C)cc1 71747913 DHTFOOIBPQXPLP-KRWDZBQOSA-N 312.417 2.993 0 50 DFAA CC[C@H]1CCCCN1C(=O)c1ccnc(NC(=O)C2CC2)c1 285075706 KURANFMSHDNXTM-AWEZNQCLSA-N 301.390 2.835 0 50 DFAA NCC(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71747759 NWZPTXXCIFYEQW-ZDUSSCGKSA-N 314.351 2.835 0 50 DFAA Cc1nnnn1CCCN1CCC[C@@H](CCc2ccccc2)C1 72163358 DKSITDPRAPFUML-SFHVURJKSA-N 313.449 2.716 0 50 DFAA CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCC(=O)NC2(C)C)cc1 338511258 KLYVOEBQOZDYQC-OAHLLOKOSA-N 316.445 2.700 0 50 DFAA CC(=O)c1cc2c(cc1OCC1(O)CCOCC1)CCCC2 154935462 PCTUPUHXBLHGGI-UHFFFAOYSA-N 304.386 2.688 0 50 DFAA CC(C)[C@@H](CNC(=O)N1CC2(CCOCC2)C1)c1cccnc1 366156203 OQMVIYPIPPRSQK-MRXNPFEDSA-N 317.433 2.643 0 50 DFAA Cc1cc(CN2CCCC[C@@H]2COC(=O)N2CCCCC2)no1 367626541 OWLGRQTWSLNRSD-MRXNPFEDSA-N 321.421 2.960 0 50 DFAA CCc1nc(CN(C)Cc2ccc3cccc(OC)c3n2)no1 215870792 XJCCSZQDMJZYOE-UHFFFAOYSA-N 312.373 2.821 0 50 DFAA CCc1ccc(CCC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 71388759 QLTDXIIUSBTIAI-AWEZNQCLSA-N 315.335 2.971 0 50 DFAA COc1ccc(CCNC(=O)c2ccc3nc(C)cn3c2)cc1 74748893 VIBSFBLJDLUGHI-UHFFFAOYSA-N 309.369 2.624 0 50 DFAA Cc1cccc(CCNC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)n1 288285697 IZKZCSNJJXQDQS-DYVFJYSZSA-N 311.385 2.754 0 50 DFAA CC1(C)CN(C(=O)c2cnc(N)s2)C[C@H]1c1ccccc1 426505745 IVGWQIVICOGJBR-LBPRGKRZSA-N 301.415 2.991 0 50 DFAA CC(C)c1cc(C(=O)N2CCn3c2nc2ccccc23)cc(O)n1 180743045 KLMNWKQPVNETIS-UHFFFAOYSA-N 322.368 2.921 0 50 DFAA COCCNC(=O)c1ccc(-c2ccc(NC(=O)OC)cc2)o1 96162833 XQDABCNSDYSRSV-UHFFFAOYSA-N 318.329 2.501 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc3c(c1)OCO3)C2 95391188 GTIFSDLOGANNCP-JKSUJKDBSA-N 302.418 2.722 0 50 DFAA CNC(=O)c1ccc(C[C@@H]2COc3cc(OC)ccc3C2)cc1 95519122 SEWGMTSMVAHIIC-AWEZNQCLSA-N 311.381 2.849 0 50 DFAA Cc1cnn([C@@H]2CCN(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)C2)c1 296718787 BXIDONXURJIENH-KSZLIROESA-N 324.428 2.952 0 50 DFAA Cc1nc(-c2ccn(C)c(=O)c2)n(Cc2cccc(Cl)c2)n1 96162645 NNOXJSQCZMYUNH-UHFFFAOYSA-N 314.776 2.654 0 50 DFAA Cc1ccc(CN[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc1F 625443435 GDFVGEHZBSQRQE-GUYCJALGSA-N 300.377 2.881 0 50 DFAA O=C(NCc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCOC1 534577239 APGXDPVJBIVESZ-NSHDSACASA-N 306.362 2.602 0 50 DFAA CCCc1c(C(=O)NCCc2cc[nH]n2)cnn1C1CCCC1 952993019 ADUFGPBXRAECJS-UHFFFAOYSA-N 315.421 2.646 0 50 DFAA Cc1cnccc1[C@H](C)NCc1ccc2c(c1)CCS2(=O)=O 1875285304 JLUYMVRDJZQMLO-ZDUSSCGKSA-N 316.426 2.571 0 50 DFAA CO[C@H](Cn1c([C@@H]2CCCO2)nnc1N(C)CC1CC1)C(C)C 888100916 ABBYHWYCCDFIJY-LSDHHAIUSA-N 322.453 2.647 0 50 DFAA OCc1ccnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 1353011301 RFBXEJOUWLBDSO-CQSZACIVSA-N 308.385 2.834 0 50 DFAA Cc1cc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)no1 275909301 JAZMUPKGODBQIV-INIZCTEOSA-N 300.406 2.932 0 50 DFAA CC(C)c1cc(N2CCOC[C@H]2C[C@H](C)O)nc(C(C)C)n1 302193969 NKDALLLAPPCPID-UONOGXRCSA-N 307.438 2.700 0 50 DFAA Cc1csc(C(=O)NCc2nnc(C(C)C)n2C)c1Cl 276915448 XXKMKLWRIIVTEV-UHFFFAOYSA-N 312.826 2.892 0 50 DFAA CCc1ncc(CNC(=O)c2c(F)cc(OC)cc2Cl)o1 633339049 YXILSSUCEGYNGA-UHFFFAOYSA-N 312.728 2.968 0 50 DFAA C[C@H](C(=O)O)N(C)C(=O)c1ccccc1C(=O)c1cccs1 225466756 BFSXHRYXJRMGOL-SNVBAGLBSA-N 317.366 2.524 0 50 DFAA C[C@H]1CCN(C(=O)CN2CCC(C(F)(F)F)CC2)[C@@H](C)C1 225740134 AMPCOGBWNFQYLT-RYUDHWBXSA-N 306.372 2.908 0 50 DFAA Cc1cccc(CC2(O)CCN(c3ncnc4[nH]ccc34)CC2)c1 280123408 CTVSLLMXIHSBGS-UHFFFAOYSA-N 322.412 2.840 0 50 DFAA Cn1nc2c(c1NC(=O)CSCc1cccnc1)CCCC2 601841584 BOGOEFLAJMBHLH-UHFFFAOYSA-N 316.430 2.566 0 50 DFAA Cc1ccc(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)s1 187541506 HDLCZWOXSBUPAC-UHFFFAOYSA-N 319.382 2.792 0 50 DFAA Cc1cnccc1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 188141754 LGCUCBFUBNZFJW-QGZVFWFLSA-N 314.360 2.672 0 50 DFAA COc1cc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)on1 190898386 SKVVHCPQLBNICJ-UHFFFAOYSA-N 318.310 2.848 0 50 DFAA C[C@H](Nc1ccc(C(=O)N(C)C)nn1)c1cc(F)ccc1F 663383986 AWKZWQLYYMXEJA-VIFPVBQESA-N 306.316 2.630 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCCC[C@@H]1[C@@H](O)C(F)(F)F 585088080 JJKGDWINWVCKGN-MWLCHTKSSA-N 324.730 2.596 0 50 DFAA CC(C)(CNC(=O)c1cc(F)c(F)c(F)c1F)n1cccn1 585128992 TYMKXFPBKITKKG-UHFFFAOYSA-N 315.270 2.605 0 50 DFAA COc1cc(Cl)cc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1529186047 UQPAHSCFNNCYOG-HGSJOUDDSA-N 323.820 2.970 0 50 DFAA C[C@@H](Nc1cc(N2CCC(O)CC2)ncn1)C1=CCCCC1 1529180607 MBKCGTGJVIIYAX-CYBMUJFWSA-N 302.422 2.739 0 50 DFAA COCCNC(=N)N1CCC(c2nc3ccccc3s2)CC1 1614973304 VGEWIJPWVMAKOA-UHFFFAOYSA-N 318.446 2.646 0 50 DFAA CCC[C@H]1CN(C(=O)Cc2ccc(F)c(C)c2)C[C@@H]1N(C)C 216846916 MYXVYLYHBKUKQR-RDJZCZTQSA-N 306.425 2.865 0 50 DFAA CCCN1CCN(C(=S)Nc2cc(C)ccc2OC)CC1 5041602 BBPBLMQWLOUJPU-UHFFFAOYSA-N 307.463 2.728 0 50 DFAA Cc1ncc(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)n1C 11664250 NYPJELBGZLRNJU-GOSISDBHSA-N 318.509 2.918 0 50 DFAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccccn3)ccc21 12324902 DAVUTECQJITNMX-UHFFFAOYSA-N 307.353 2.977 0 50 DFAA COc1ccc(CNS(=O)(=O)Cc2ccc(C)cc2)cc1 16579412 GDMGEECEAGQWND-UHFFFAOYSA-N 305.399 2.623 0 50 DFAA CCCN1CCC(NC(=O)COc2ccc(CC)cc2)CC1 16602503 GWMNHBMEQFMADW-UHFFFAOYSA-N 304.434 2.618 0 50 DFAA Cc1cccc(CN2CCN(C(=O)COc3ccccc3)CC2)c1 19235016 OWYNSYXSGZTSNL-UHFFFAOYSA-N 324.424 2.718 0 50 DFAA CN1Cc2cc(-c3nc(N(C)C)nc4c3CCCC4)ccc2C1=O 1857710492 ZOPSAOQSRXMKGO-UHFFFAOYSA-N 322.412 2.674 0 50 DFAA Cc1cscc1C(=O)N[C@H](C(=O)O)c1cc(F)ccc1F 776616478 JKEFRXUATCJYNY-LBPRGKRZSA-N 311.309 2.890 0 50 DFAA COc1cc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)ccc1Cl 263145150 YQSIUFLNNFJBTP-HNNXBMFYSA-N 313.781 2.968 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)NCCc2c(C)noc2C)on1 593382063 GMZQQQYHFUUVPY-CQSZACIVSA-N 318.377 2.677 0 50 DFAA CC1=C(C)C[C@@](C)(C(=O)N[C@H](CO)Cc2ccc(O)cc2)CC1 935170814 QIFBYUSMBCVQEQ-LPHOPBHVSA-N 317.429 2.938 0 50 DFAA C[C@H]1c2nncn2CCN1C(=O)c1ccc(C(F)F)c(F)c1 935618745 NTWIAZAMENNAFD-QMMMGPOBSA-N 310.279 2.572 0 50 DFAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 2325840332 YGDFFQCKTPCZCN-GASCZTMLSA-N 323.440 2.965 0 50 DFAA N[C@H]1CN(c2ncnc(-c3ccccc3)n2)Cc2ccccc21 2325859213 RBXQHDZBNIDNTM-INIZCTEOSA-N 303.369 2.559 0 50 DFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1C(F)(F)F 127002 QTXSNNSHDVEEIR-SNVBAGLBSA-N 313.275 2.756 0 50 DFAA COc1cc(NC(=O)CCN2CCC[C@H](C)C2)cc(OC)c1 176434 GSMPCDLJHZYTQE-ZDUSSCGKSA-N 306.406 2.764 0 50 DFAA CCn1c(SCC(N)=O)nnc1-c1csc(C(C)C)c1 6731404 RJJRLQPILHIKBA-UHFFFAOYSA-N 310.448 2.727 0 50 DFAA CCc1ccc(CC(=O)NC[C@@H]2COc3ccccc3O2)cc1 225281919 IOUKDZJLQHTCMK-MRXNPFEDSA-N 311.381 2.748 0 50 DFAA CCCc1nnc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)s1 9042406 TYPAEKYDEGYQSU-JTQLQIEISA-N 321.402 2.905 0 50 DFAA COC(=O)Nc1cccc(C(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 225446152 FSVXIZXPZJDFQR-MELADBBJSA-N 319.357 2.835 0 50 DFAA C[C@@H](CNC(=O)C1(c2ccccc2F)CC1)Oc1cccnc1 65370627 TYKOXKIGLRHPCW-ZDUSSCGKSA-N 314.360 2.836 0 50 DFAA NC(=O)c1csc(C(=O)Nc2cc(Cl)cc3c2OCC3)c1 135973316 QKSGSGRHDSSOJH-UHFFFAOYSA-N 322.773 2.688 0 50 DFAA CC(=O)N[C@@H]1CCN(Cc2nc(-c3ccccc3C)oc2C)C1 67649403 PJDCRLIIXNEHQQ-OAHLLOKOSA-N 313.401 2.669 0 50 DFAA Cc1ccc(C2(O)CCN(C(=O)Cc3ccccc3C)CC2)nc1 67605326 MVJPBMFYXSNHRX-UHFFFAOYSA-N 324.424 2.751 0 50 DFAA O=C1NCCN(C/C=C/c2ccco2)[C@@H]1c1ccc(F)cc1 65373198 BERWEAXFUUEIQK-BCMPFUBYSA-N 300.333 2.605 0 50 DFAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(CCO)C2 67966064 GMYVLBWBFHATBI-UHFFFAOYSA-N 319.426 2.919 0 50 DFAA NC(=O)Nc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 128186234 FKUUJXJLCZGCNW-OAHLLOKOSA-N 323.396 2.882 0 50 DFAA CC1(C)[C@H](C(=O)NCCc2ccccc2)CC[C@@]1(C)C(=O)O 47711 ZWXYBYIPWGXZFF-KSSFIOAISA-N 303.402 2.872 0 50 DFAA CCN(Cc1noc(C)n1)C(=O)c1cc(Cl)ccc1OC 219175538 LLWHDTKTDQUBHJ-UHFFFAOYSA-N 309.753 2.702 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 170621694 HGZCAYAGVJKBSV-WCWCZOKXSA-N 319.493 2.938 0 50 DFAA CCc1nc(C)sc1CNC(=O)Cc1ccc(N(C)C)cc1 219308441 GRBZLRUPPUYVGB-UHFFFAOYSA-N 317.458 2.939 0 50 DFAA CC1(NC(=O)CSC[C@@H]2CCCCO2)Cc2ccccc2C1 120798840 UDAXNNYTNKRDQG-INIZCTEOSA-N 319.470 2.962 0 50 DFAA CC(=O)c1cc(CN2CCC([C@H](C)N3CCCC3)CC2)n(C)c1 215612859 YKDCRYLQFNCRJU-HNNXBMFYSA-N 317.477 2.924 0 50 DFAA CC(C)N1CC(=O)N(c2cc(-c3ccccc3)ns2)C1=O 328594918 FYOAREPDPOZLBB-UHFFFAOYSA-N 301.371 2.987 0 50 DFAA NC1(CNC(=O)c2ccc(OCc3ccccc3)cc2)CCC1 261553471 SNEWOHRCVNRHCU-UHFFFAOYSA-N 310.397 2.877 0 50 DFAA CC(C)[C@H](C(=O)Nc1n[nH]c2cc(F)ccc12)c1cccnc1 437168923 YHLIXAFSZGWJEL-HNNXBMFYSA-N 312.348 3.475 0 50 DFAA CC(C)COc1cccc(CN2CCC[C@](O)(CN(C)C)C2)c1 72463617 WIEVBCSCBFUNAN-IBGZPJMESA-N 320.477 2.610 0 50 DFAA CCN(CC)c1ccc(NC(=O)[C@@H]2CCO[C@H]2C(C)C)cn1 331209436 GSXRPUTZWSAKDN-ZBFHGGJFSA-N 305.422 2.927 0 50 DFAA O=C(CN1CCCC1)N1CCC[C@@H](COc2ccccc2F)C1 77301976 HNQFYFZSNIKPJP-OAHLLOKOSA-N 320.408 2.539 0 50 DFAA 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0 50 DFAA O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CCNCC2 237672289 ABSJLOCBKCLPSG-ZDUSSCGKSA-N 312.335 2.711 0 50 DFAA Cc1nc(C)n(CCCNC(=O)c2sc(C(C)C)nc2C)n1 91439811 QOFFSUTUBKHVEP-UHFFFAOYSA-N 321.450 2.603 0 50 DFAA Cc1ncsc1CCC(=O)N1CCC[C@]2(CCCO2)CC1 97602194 GNMKWQAOPIQLHB-INIZCTEOSA-N 308.447 2.946 0 50 DFAA OCC[C@H]1CN(Cc2nccs2)CCN1CC1CCCCC1 23374641 TUQHFYJFCWYFOF-INIZCTEOSA-N 323.506 2.592 0 50 DFAA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 298544276 DCBOGSVZQAYGIX-BXUZGUMPSA-N 318.352 2.610 0 50 DFAA COCc1cc(CNCc2sccc2Br)no1 298228202 BBDNQKUDTLDHGV-UHFFFAOYSA-N 317.208 2.935 0 50 DFAA Cc1csc(CCCC(=O)N2CCCC[C@@H]2C[C@@H](C)O)n1 296178194 VDQYFYUMLNTBQI-ZIAGYGMSSA-N 310.463 2.926 0 50 DFAA O=C(NCCCc1ccco1)N1CC(Oc2ccccc2F)C1 534655012 IBZRZNJEDACSPR-UHFFFAOYSA-N 318.348 2.824 0 50 DFAA Cc1nnc(CN(C)C[C@@H]2CCN(c3ccccc3)C2)s1 299764044 JRJIHSOOLXYGPS-AWEZNQCLSA-N 302.447 2.805 0 50 DFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc3ccn(C)c3c1)CC2 299795378 MAQMOAMDZRABOF-YTQUADARSA-N 314.429 2.683 0 50 DFAA CC[C@H](NC(=O)CCc1ccccc1OC)c1ncnn1CC 299779646 RFSCWOKBYUONGS-AWEZNQCLSA-N 316.405 2.507 0 50 DFAA CC(C)CCCc1nc(CC(N)=O)nn1-c1ccc(F)c(F)c1 821102962 XLNDOXJXLQNOPM-UHFFFAOYSA-N 322.359 2.552 0 50 DFAA CC(C)(C)OC(=O)N1CCC(O)([C@H](N)C2CCCCC2)CC1 958527612 BGVGIXIHUADRNQ-CQSZACIVSA-N 312.454 2.656 0 50 DFAA CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 95644700 SJIVVBIUXVKZDK-STQMWFEESA-N 301.308 2.860 0 50 DFAA in-vitro O=C(O)[C@H]1CCCN(C(=O)c2ccc(C3CCOCC3)cc2)C1 630098000 NVWYPRJIWLSAPK-INIZCTEOSA-N 317.385 2.517 0 50 DFAA CC[C@@H](c1ccccc1)S(=O)(=O)[C@@H](C)c1nnnn1C1CC1 191054212 DKLRRBSHXIQVAT-FZMZJTMJSA-N 320.418 2.635 0 50 DFAA C[C@]1(c2ccccc2)CN(C(=O)c2ncccc2F)CCO1 585107072 GIMUBEBOGNJZIL-QGZVFWFLSA-N 300.333 2.609 0 50 DFAA CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@H](n2ccnn2)C1 585130203 KLWVILMNTQEXIC-DZGCQCFKSA-N 316.430 2.622 0 50 DFAA O=C([C@H]1CSCCS1)N1CCC[C@H]1CCc1ccccn1 1615586235 KZGUOWQXXQPHRL-LSDHHAIUSA-N 322.499 2.854 0 50 DFAA 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CCCc1nc(C)cc(N2CCC[C@@]3(CC2)CN(C)C(=O)O3)n1 72148780 YASJKTGJEJOPNV-QGZVFWFLSA-N 318.421 2.549 0 50 DFAA CN1CCN(C(=O)CCc2cccnc2)C[C@@H]1c1ccccc1 216074513 FWSRJOQINWNMQE-GOSISDBHSA-N 309.413 2.530 0 50 DFAA COc1cccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1F 374384419 HWJRKFIEZWKJIU-INIZCTEOSA-N 319.380 2.503 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(OCC2CC2)CC1 376864148 KVEKEPZYNNXZAN-LLVKDONJSA-N 305.422 2.548 0 50 DFAA O=C1CN(Cc2ccc(Cl)o2)CCN1Cc1ccc(F)cc1 215620882 DQGIEOBXBFCVFB-UHFFFAOYSA-N 322.767 2.917 0 50 DFAA Cc1cccnc1[C@@H](C)NC(=O)c1ccc(SCCO)cc1 222453394 FFJMRQAEZQYPEX-CYBMUJFWSA-N 316.426 2.965 0 50 DFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)oc1C 222621326 KVWTUFGBDBTPCX-HZPDHXFCSA-N 307.390 2.767 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 82171004 HWPRQAWFKVUMQU-UHFFFAOYSA-N 324.388 2.521 0 50 DFAA CCCc1cc(C(=O)N2CCO[C@@H](c3ccccc3)C2)no1 20865866 VSMYXERXYJICIV-MRXNPFEDSA-N 300.358 2.841 0 50 DFAA CCn1cc(Cl)c(C(=O)N2CC[C@H](Oc3ccccc3)C2)n1 426409580 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244794973 QXIYFOROZDUPSP-QGZVFWFLSA-N 323.440 2.931 0 50 DFAA C[C@@H](C(=O)NCCCNc1cccnc1)N(C)C1CCCCC1 252488399 IREFJQXCXZZQMZ-HNNXBMFYSA-N 318.465 2.653 0 50 DFAA Cc1cccc(N2CCN(Cc3nc(-c4ccco4)n[nH]3)CC2)c1 825218846 UCFXKDXUXKXLNU-UHFFFAOYSA-N 323.400 2.695 0 50 DFAA C[C@H]1Cc2cc(NC(=O)c3csc(CN(C)C)n3)ccc2O1 823719857 RTSSIWCFKGELMY-JTQLQIEISA-N 317.414 2.780 0 50 DFAA CCCOc1ccc(C(=O)N[C@@H](C)c2nncn2C)cc1Cl 584890293 KFUNCBCIPSIBAV-JTQLQIEISA-N 322.796 2.748 0 50 DFAA COCC[C@@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 584887964 GDENISSDHZVGRP-AWEZNQCLSA-N 313.401 2.965 0 50 DFAA CC(C)(C)C(=O)N1CSC[C@@H]1c1nc(-c2ccncc2)no1 952994829 VINYCLCKENGYCX-LLVKDONJSA-N 318.402 2.752 0 50 DFAA O=C(c1oc2ccccc2c1Cn1cccn1)N1CC2(CC2)CO1 1875295911 VGLAVRAWURQAIV-UHFFFAOYSA-N 323.352 2.845 0 50 DFAA CCCC[C@@H](c1cccnc1)N(C)C(=O)CCN1CCCC1=O 952972514 SRGCZDMAYQAXSB-INIZCTEOSA-N 317.433 2.784 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCOC[C@@]3(C)C3CC3)n[nH]2)o1 890584659 SHRNGDOHTIFYQB-KRWDZBQOSA-N 315.373 2.619 0 50 DFAA CC(C)(O)C1CCN(Cc2cnc(O)c3ccccc23)CC1 1364486181 RXUYCUGLIRVMGW-UHFFFAOYSA-N 300.402 2.923 0 50 DFAA O=C(c1ccco1)N1CCC(Nc2nc3ccccc3[nH]2)CC1 270612270 YNEBDWBLDIRGAQ-UHFFFAOYSA-N 310.357 2.873 0 50 DFAA NC(=O)c1c(Cl)cccc1NC(=O)COc1ccccc1F 173191353 XPQDFZWIHIZBTQ-UHFFFAOYSA-N 322.723 2.596 0 50 DFAA Cc1nc2ccc(C(=O)Nc3cnn(-c4ccncc4)c3)cc2o1 684208164 BCEGYSFEQOXRPX-UHFFFAOYSA-N 319.324 2.969 0 50 DFAA CC(=O)c1cnc(NC[C@@H](c2ccco2)N2CCCC2)nc1C 1704313406 PPQVCDAUDKAFBU-HNNXBMFYSA-N 314.389 2.830 0 50 DFAA CN1C[C@@H]2C[C@H](N(C)Cc3cccc(O)c3Cl)C[C@@H]2CC1=O 1704338057 KFQJWIIYCYOMJV-HZSPNIEDSA-N 322.836 2.734 0 50 DFAA CN1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 301552442 RHGGSHPNMVMVPM-UHFFFAOYSA-N 313.188 2.795 0 50 DFAA C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(F)cc1Br 230106268 VUHLRHFABAESIJ-ISVAXAHUSA-N 316.170 2.886 0 50 DFAA Clc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1 1634 NCPBMOFVRBEVJY-QPJJXVBHSA-N 314.820 2.965 0 50 DFAA in-man CC1=C(c2ccccc2)[C@H]1C(=O)NCc1[nH]nc2ncccc12 1772807277 LSTPTIQHHDLAHT-INIZCTEOSA-N 304.353 2.678 0 50 DFAA CC(C)(C)[C@@H]1CCc2c(sc(N)c2C(=O)N2CCOCC2)C1 5976651 JQLDWDHDHOKDNH-LLVKDONJSA-N 322.474 2.954 0 50 DFAA C[C@@]1(C(=O)Nc2nccs2)Cc2ccc(Cl)cc2C(=O)O1 11690047 ZXJUUUQTWOUBOQ-AWEZNQCLSA-N 322.773 2.907 0 50 DFAA CC(C)c1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1 12383113 VCMFITGPBLHNDL-AWEZNQCLSA-N 304.434 2.788 0 50 DFAA O=C(c1coc(COc2cccc(F)c2)n1)N1CCSCC1 12597294 JLOJRACAGDVTQE-UHFFFAOYSA-N 322.361 2.582 0 50 DFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)c1cccs1 18206173 DMHJZBXUVZFHKZ-UHFFFAOYSA-N 302.380 2.960 0 50 DFAA aggregator O=C(CCc1cn[nH]c1)N1CCC[C@@H](OCc2ccccc2)C1 19813117 GCSXKXCJLGSNPE-QGZVFWFLSA-N 313.401 2.550 0 50 DFAA Fc1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1 19872553 ZOBSXKHOGKAXDM-UHFFFAOYSA-N 304.365 2.508 0 50 DFAA COc1ccc(-c2nccn2[C@H]2CCN(C)C2=O)cc1Cl 1857680187 DLHWDKZQEBQTIX-LBPRGKRZSA-N 305.765 2.615 0 50 DFAA Cc1c(CNC(=O)[C@H]2CCn3nccc3C2)oc2ccccc12 1857732642 ZAECELDAIYMFDV-ZDUSSCGKSA-N 309.369 2.817 0 50 DFAA CCC[C@]1(CO)CCN(Cc2ccc3c(ccn3C)c2)C[C@@H]1O 1875242774 AYZYLDBFAXJJNG-RBUKOAKNSA-N 316.445 2.524 0 50 DFAA CCOc1c(F)cccc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 237021053 QRVCLUSGZVOLDU-LBPRGKRZSA-N 323.364 2.941 0 50 DFAA O=C1C[C@]2(CCSC2)C(=O)N1CCSCc1ccccc1 253430096 VTUNKYILOTVHQY-INIZCTEOSA-N 321.467 2.802 0 50 DFAA COc1cc(CN(C)C(=O)[C@@H](N)C(C)(C)C)ccc1SC 154019417 ORTPMBRPSSJJSX-CQSZACIVSA-N 310.463 2.749 0 50 DFAA CCN(C(=O)C1CC(C)C1)c1ccc(N2CCOCC2)cc1 824637337 JWCVFLXOYKFCLE-UHFFFAOYSA-N 302.418 2.922 0 50 DFAA Cc1ccc(CCNC(=O)[C@]2(C)CCOc3ccccc32)cn1 932520968 ATATZXQLXOYLSE-LJQANCHMSA-N 310.397 2.789 0 50 DFAA O=C(Nc1ccnn1C1CCC1)N[C@@H]1CCOC12CCCC2 934729993 CLPJNWTUMUSANW-CYBMUJFWSA-N 304.394 2.831 0 50 DFAA O=C(NCCC1SCCS1)N[C@H](C1CC1)C(F)(F)F 852343938 GGSGOZQGVJKHCD-SECBINFHSA-N 314.398 2.823 0 50 DFAA Cc1nc([C@@H]2CCN(Cc3c(C)ccc4cccnc34)C2)n[nH]1 2325784233 LQFGDRZIJLVEGN-OAHLLOKOSA-N 307.401 2.959 0 50 DFAA CN(C(=O)c1c[nH]c2c(Br)cccc12)c1cn[nH]c1 2325840657 KJVRLHFBPLCHFU-UHFFFAOYSA-N 319.162 2.930 0 50 DFAA CC(C)N(C(=O)Cn1c(CO)nc2ccccc21)c1ccccc1 80833 HHMYWGMZUBPVKH-UHFFFAOYSA-N 323.396 2.970 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(O)cc2)N1 281783 OHWUOYUHWJMINH-HOTGVXAUSA-N 308.337 2.562 0 50 DFAA biogenic CCOc1ccccc1N1CCN(C(=O)c2ccco2)CC1 434015 XNWKVHSZSIBSQW-UHFFFAOYSA-N 300.358 2.641 0 50 DFAA C[C@H]1CCCCN1C(=O)c1ccc(I)o1 468821 PNEAZMLSEIJDTE-QMMMGPOBSA-N 319.142 2.899 0 50 DFAA COC[C@@]12COC[C@@H]1CN(c1cc(C)c3ccc(F)cc3n1)C2 2356149117 KNPWDVXWRYJPPM-UGSOOPFHSA-N 316.376 2.782 0 50 DFAA CC(C)[C@H]1CC(=O)c2nc(NC(=O)c3ccncc3F)oc2C1 2356169998 PZRPWVRZUDFWEC-VIFPVBQESA-N 317.320 2.862 0 50 DFAA COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(F)cc2)C1=O 100507784 PFQJEVAXESZPMX-CYBMUJFWSA-N 314.316 2.578 0 50 DFAA O=c1cc(Cc2ccc3c(c2)OCO3)[nH]c2cc(C3CCC3)nn12 23369300 CCIICEWIEXOURR-UHFFFAOYSA-N 323.352 2.610 0 50 DFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1 22204653 BAHWBLGZSGIKQC-KDOFPFPSSA-N 310.397 2.611 0 50 DFAA Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)c1cccs1 20400192 VEZVBEZYKSXPPD-JTQLQIEISA-N 306.362 2.953 0 50 DFAA CC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2cccnc2)C1 22170606 ORCRLMKMYTWBRV-INIZCTEOSA-N 315.760 2.802 0 50 DFAA CCCN1CC[C@@H](N2CCN(C3CCCCC3)CC2)CCC1=O 22911872 NKBGIRMXTKRAHR-SFHVURJKSA-N 321.509 2.728 0 50 DFAA CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2C)[C@H]1Oc1ccccc1 249389779 XWSHRYGKTJMEHH-KTQBOKQISA-N 305.418 2.626 0 50 DFAA O=C(c1nc[nH]c1C(F)(F)F)N1CCOC2(CCCCC2)C1 328597657 INYQSKMLGYDGCF-UHFFFAOYSA-N 317.311 2.604 0 50 DFAA Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H](CN)C(C)C 433114639 HSFLFLJRZNNFRN-AWEZNQCLSA-N 317.458 2.966 0 50 DFAA COc1ccccc1-c1nc(-c2ccc(C(=O)N(C)C)nc2)no1 350643999 DNMMTOYLIMPBHA-UHFFFAOYSA-N 324.340 2.509 0 50 DFAA COCCOC1CCN(Cc2ccc3c(ccn3C)c2)CC1 215694837 GPVYCCQWPGOHLX-UHFFFAOYSA-N 302.418 2.806 0 50 DFAA COc1ccccc1CCC(=O)N1CCC[C@@H]1[C@H]1CCCO1 284607850 IFOQHYFYUKUAIJ-NVXWUHKLSA-N 303.402 2.798 0 50 DFAA CCCCc1cn(CC2CCN(C(=O)C3CCC3)CC2)nn1 63846565 YKVCXEZQOFCIGW-UHFFFAOYSA-N 304.438 2.659 0 50 DFAA O=C(Nc1ccc(F)cc1F)c1cc(-n2cccn2)ccn1 127854916 HVICUYSJHZTWDN-UHFFFAOYSA-N 300.268 2.798 0 50 DFAA CCn1c(N)nc2cc(C(=O)NCc3cccc(C)c3C)cnc21 77407393 KAHPQMYKCSNHNO-UHFFFAOYSA-N 323.400 2.580 0 50 DFAA NCC1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 237805321 FAXBFBLYTQDSOB-VXGBXAGGSA-N 310.800 2.780 0 50 DFAA CCCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)cc1OC 35171141 KTIYLAYEGINLEG-LBPRGKRZSA-N 315.373 2.990 0 50 DFAA CCCc1cc(NCc2cn3c(n2)SCC3)n2nccc2n1 72419688 MHNDYTHJRBPMGO-UHFFFAOYSA-N 314.418 2.596 0 50 DFAA c1nc(CCc2nc([C@H]3C[C@H]4CCCCN4C3)no2)cs1 242273457 YCWBDZHNVSVXHP-WCQYABFASA-N 304.419 2.653 0 50 DFAA Cc1ccc(F)c(CNc2ccc(N3CCOCC3)cn2)c1 131407513 NUPJHHQKOPQRDB-UHFFFAOYSA-N 301.365 2.978 0 50 DFAA COc1cccc2c1OC[C@H](NC(=O)c1cc[nH]c1C1CC1)C2 367259211 HFLCHYSGVKYSED-CYBMUJFWSA-N 312.369 2.634 0 50 DFAA CCc1ccnc(CNC(=O)N2CC[C@@H](OC)C(C)(C)C2)c1 458744779 WUJXQBWNSXOVFT-OAHLLOKOSA-N 305.422 2.601 0 50 DFAA O=C(CC[C@H]1CCCOC1)NCc1ccccc1-n1cccn1 175460555 ZMGHYODDDDGDQV-OAHLLOKOSA-N 313.401 2.695 0 50 DFAA Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 371281442 VKSZRSXTPFAAKU-CYBMUJFWSA-N 322.368 2.660 0 50 DFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cnc(C(C)C)nc1 373562973 WRKNDNHQOISLIC-INIZCTEOSA-N 324.384 2.516 0 50 DFAA CCCc1cc(C(=O)N[C@@H](c2cc(C)ccn2)C2CC2)n(C)n1 77427000 DKASDNMQVYNJNV-QGZVFWFLSA-N 312.417 2.957 0 50 DFAA COc1ccc2c(NC3CCC(C(=O)O)CC3)ncnc2c1F 263435241 VBIHYZVQZPWZCA-UHFFFAOYSA-N 319.336 2.833 0 50 DFAA CC[C@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1ccccc1 287271904 QTRSRFDZMKPOCD-WMZOPIPTSA-N 318.417 2.729 0 50 DFAA COc1ccc(F)c(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1 289084079 ODQMIRGVKZCVLP-CHWSQXEVSA-N 321.396 2.925 0 50 DFAA O=C(O)[C@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 177470156 LDCPQPVAECDATD-DOTOQJQBSA-N 323.348 2.515 0 50 DFAA CCOc1ncccc1C(=O)N(CC)Cc1nc(C(C)C)no1 220574133 ZOQWMAVZDPWDGF-UHFFFAOYSA-N 318.377 2.649 0 50 DFAA CCCc1cc(C(=O)NCc2cc(F)c(OC)c(F)c2)n(C)n1 82137461 LHMFQWKFXZIZNK-UHFFFAOYSA-N 323.343 2.589 0 50 DFAA Nc1nc(C2CCCC2)ncc1-c1noc(COCC2CC2)n1 293075235 RAYRTBUAVBJDCT-UHFFFAOYSA-N 315.377 2.693 0 50 DFAA CC(C)c1cc(CSc2nnc([C@H]3CCCNC3)n2C)no1 426711527 YHTNDLLWXBAIGN-NSHDSACASA-N 321.450 2.686 0 50 DFAA Cc1cccc(-n2ncnc2CCC(=O)NC2CCCC2)c1C 91643925 DOGCESICIBXLLE-UHFFFAOYSA-N 312.417 2.876 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccccc1F)C2 95362024 HMUDGPBLPUQAMI-GDBMZVCRSA-N 304.409 2.701 0 50 DFAA c1nc(C2CCCCC2)ncc1CN1C[C@@H]2CC[C@H]1CNC2 97213025 HCQFZCCMNYELSW-PBHICJAKSA-N 300.450 2.708 0 50 DFAA Cc1ccccc1[C@@H](C(=O)NCCCC(C)(C)CO)N(C)C 95362574 FQSQUCPCCBFEMU-INIZCTEOSA-N 306.450 2.513 0 50 DFAA CC1(C)C[C@]1(C(=O)N1CCc2n[nH]cc2C1)c1ccc(F)cc1 91616734 OITXOYULUZWNEN-GOSISDBHSA-N 313.376 2.801 0 50 DFAA Cc1cc2c(cc1NC(=O)N(C)Cc1c(C)noc1C)OCO2 95519879 QPVVWKLOXJUVNH-UHFFFAOYSA-N 317.345 2.992 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)NCc1ncc2c(n1)CCC2 91350605 SMGGPPHUIJDTCA-AWEZNQCLSA-N 307.397 2.702 0 50 DFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1nc(-c2cccs2)no1 296133012 JEIIVKCTGNKGMT-BIMULSAOSA-N 305.403 2.701 0 50 DFAA CCN(CC(=O)Nc1ccn(C)n1)Cc1ccc(SC)cc1 244700922 JWIXDCYUZJYXMY-UHFFFAOYSA-N 318.446 2.603 0 50 DFAA Cc1nc(C)c(C(=O)Nc2ncnc3[nH]c(C)c(C)c23)s1 183580312 ZHZNAQYFJRJELW-UHFFFAOYSA-N 301.375 2.900 0 50 DFAA Cn1cc(/C=C/c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)cn1 299753750 ZFKHJHQSLGNDKH-GSKXSAQWSA-N 302.378 2.892 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1COc2ccccc21 299740566 ABEPDXFMTULARF-HNNXBMFYSA-N 311.337 2.519 0 50 DFAA COc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 252489037 JDWGGSCYOANMPH-UHFFFAOYSA-N 303.383 2.985 0 50 DFAA Cc1nc(-c2ccc(CN3CCCC3)o2)n(-c2ccncc2)n1 670450898 CEKKOTAWZSIVGH-UHFFFAOYSA-N 309.373 2.827 0 50 DFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H]2C[C@@H](C)O)c1 269834111 QCXPFCYTXYWOFD-PMPSAXMXSA-N 304.434 2.866 0 50 DFAA COCc1nc(Cc2ccsc2)n(-c2cccc(C)n2)n1 670471159 FKYGDNSTSIKIIO-UHFFFAOYSA-N 300.387 2.769 0 50 DFAA O[C@H](COCc1ccccc1)Cc1nc(-c2ccsc2)no1 952847901 JAFDXBRWFPUPGZ-AWEZNQCLSA-N 316.382 2.918 0 50 DFAA FC(F)C1CCC(NCc2cccnc2-n2cncn2)CC1 1875264870 UZKDRZIBIHEIJW-UHFFFAOYSA-N 307.348 2.576 0 50 DFAA CN(C)CC1CN(c2ncnc3c(C(F)(F)F)cccc23)C1 1875271962 ACRLJSKCLWPWHI-UHFFFAOYSA-N 310.323 2.646 0 50 DFAA COC1(CCNC(=O)c2cc(C)nc3c2CCCC3)CCC1 1875358334 RLXRYYSERXKDGF-UHFFFAOYSA-N 302.418 2.958 0 50 DFAA C/C=C(\C)C(=O)N[C@@H](C)Cn1cc(-c2c(F)cccc2F)nn1 1875323421 IHABBCMZOQOVJX-INJWIWPUSA-N 320.343 2.694 0 50 DFAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)C1CCCCC1 952977606 KLIJOBFDLRNZCA-HNNXBMFYSA-N 301.434 2.995 0 50 DFAA Cc1cccc(C2(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)c1 952971517 SZNPZEPASCPOAQ-AWEZNQCLSA-N 314.429 2.747 0 50 DFAA O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cc(F)c(F)c(F)c1F 888099868 VZUNPEJUJNHPGA-DRTBCBBWSA-N 303.255 2.540 0 50 DFAA Cc1cccc2c1C[C@@H](NC(=O)[C@@H](CC(=O)O)CC(C)C)CO2 899794629 MGKAPVHJXORMLJ-ZIAGYGMSSA-N 319.401 2.552 0 50 DFAA COc1nccc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c1F 899379330 XIJPXRXEGWJRFK-AWEZNQCLSA-N 321.396 2.629 0 50 DFAA CN(C(=O)NC1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 170091463 HABJCKHDYXXQAU-OLZOCXBDSA-N 315.200 2.755 0 50 DFAA CCOC[C@@H]1CCN(C(=O)c2snc(Cl)c2Cl)C1 408517157 AJAZGFPAMZHAOX-SSDOTTSWSA-N 309.218 2.949 0 50 DFAA COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)nn1 170598555 LMGWLZDOZHKZJE-UHFFFAOYSA-N 312.156 2.973 0 50 DFAA O=C(NCc1ccc(CN2CCOCC2)o1)C1CCCCCC1 170595036 HWACKLODUJHNFS-UHFFFAOYSA-N 320.433 2.698 0 50 DFAA CC(C)N(Cc1cccnc1)C(=O)c1c[nH]c(=O)c2ccccc12 170604951 ATWREYPTPIJNLU-UHFFFAOYSA-N 321.380 2.974 0 50 DFAA CCN(C(=O)CN1CCC[C@@H]1CN1CCCC1)c1ccccc1 170695148 DNUAFTNALXAWLG-GOSISDBHSA-N 315.461 2.600 0 50 DFAA O=C(NCC[C@H]1CCCCO1)N[C@H]1CCN(c2ccccc2)C1 222235629 NOHCQBNSBGWIRU-DOTOQJQBSA-N 317.433 2.524 0 50 DFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cnsn1 187047386 GNNONSOWQKNTKS-RNCFNFMXSA-N 323.805 2.794 0 50 DFAA Cc1ccc(CNC(=O)[C@@H]2CCN(C)C(=O)C2)c2ccccc12 412476007 PPICHQQUDMYGOV-CQSZACIVSA-N 310.397 2.633 0 50 DFAA CCc1ncc(CN2CCC(Oc3ncccc3F)CC2)cn1 414447683 PVTMRGVPEOWDSL-UHFFFAOYSA-N 316.380 2.617 0 50 DFAA Cn1nncc1C(=O)N1CCCc2cc(Cl)cc(Cl)c21 281592108 REKBNMCKUTVVPG-UHFFFAOYSA-N 311.172 2.715 0 50 DFAA CCN(Cc1nc(-c2ccccc2F)no1)C[C@@H]1CCCO1 188983677 UMESHOFWQSWTLI-LBPRGKRZSA-N 305.353 2.877 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)c1ccc(Cl)cn1)C1CC1 1506424822 LPPPPZAXZIIVER-UHFFFAOYSA-N 318.808 2.890 0 50 DFAA N[C@H]1CC[C@@H](NC2CCN(c3ccc(F)c(F)c3)CC2)CC1 1506419475 QHTKHNMWWHOZKY-BETUJISGSA-N 309.404 2.793 0 50 DFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@@H](C)Cn1cccn1 1529141478 GCNKQEURUVHKBM-ZDUSSCGKSA-N 323.400 2.867 0 50 DFAA CCc1cc(N(C)CC2(C)COC2)nc(N2CCCCC2)n1 1704315835 WMKUVXUILALUHC-UHFFFAOYSA-N 304.438 2.502 0 50 DFAA Cc1ncc(CN(CC[C@@H](C)c2ccccc2)CC(=O)O)[nH]1 1704304943 PHXYTNXGLQJRSU-CYBMUJFWSA-N 301.390 2.799 0 50 DFAA Cc1ncc(CN(CCCc2ccccc2)CCN(C)C)[nH]1 1704314846 WEXJQHXUFADGLG-UHFFFAOYSA-N 300.450 2.715 0 50 DFAA Cc1cc(C)n(Cc2ccc(NC(=O)[C@@H]3CC[C@H](N)C3)cc2)n1 215405717 GNNJMABKMUGDIH-CVEARBPZSA-N 312.417 2.614 0 50 DFAA O=C(c1cccc2c1NCCC2)N1CCO[C@H]2CCCC[C@@H]21 216623510 LGNRDMURHOZTMO-HOTGVXAUSA-N 300.402 2.828 0 50 DFAA CCc1nc(CNC(=O)C2CC(O)(C3CCCCC3)C2)co1 1615566033 LZTBMVAYWNPOLU-UHFFFAOYSA-N 306.406 2.575 0 50 DFAA O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1=CCCC1 12588013 XYNBLHPVMWOGCU-SFHVURJKSA-N 310.441 2.845 0 50 DFAA CCN1CCC(NC(=O)c2cc(F)c(F)cc2Cl)CC1 13326373 HBJGKXKGTOAJJE-UHFFFAOYSA-N 302.752 2.832 0 50 DFAA O=C(N[C@H]1CCc2ccccc21)c1cccc(-c2ncn[nH]2)c1 158033045 GBBGPWUQKSBGDR-INIZCTEOSA-N 304.353 2.889 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(OC)c1C 1857671739 NQROLZKEOFMMHM-WBHUJUFNSA-N 317.385 2.862 0 50 DFAA COc1cnc(C)cc1C(=O)NCc1nc2c(s1)CCCC2 1857677907 DUOGRBLFRVEBNC-UHFFFAOYSA-N 317.414 2.664 0 50 DFAA CO[C@](C)(C(=O)NCCc1ccc(F)cn1)c1ccccc1F 408523512 SIJHGULYSDUGFW-KRWDZBQOSA-N 320.339 2.580 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 237639609 VCYVEOJAPKGKQE-INIZCTEOSA-N 305.349 2.571 0 50 DFAA C[C@H](c1nc(O)c2ccccc2n1)N1CCCOC(C)(C)C1 377709434 UTJBPQBFMPLHHK-GFCCVEGCSA-N 301.390 2.897 0 50 DFAA O=C(O)CN(C(=O)c1ccn(C2CCCC2)n1)c1ccccc1 263179293 RCXNQMHVJJIDMT-UHFFFAOYSA-N 313.357 2.730 0 50 DFAA Cc1cccc(CC(=O)NC2CCC(C(=O)O)CC2)c1Cl 263226921 AOCZVPNHNHPCJV-UHFFFAOYSA-N 309.793 2.951 0 50 DFAA O=C(NCc1ccc(CO)cc1)[C@@]1(c2ccccc2)CCCO1 823469582 DQAPEJGQEPAWCX-IBGZPJMESA-N 311.381 2.501 0 50 DFAA C[C@H](C(=O)NCCc1cn(C)c2ncccc12)c1cccc(O)c1 828493075 UBZKHTYSGVFXGQ-ZDUSSCGKSA-N 323.396 2.741 0 50 DFAA Cc1cnn([C@H]2CCCN(C(=O)c3ccnn3C3CCC3)C2)c1 932124744 HKRROUAHTBHBJB-HNNXBMFYSA-N 313.405 2.590 0 50 DFAA C[C@@](O)(c1nc(-c2c(Cl)nc3sccn23)no1)C1CC1 842496859 HSJKWIBXOUZSRV-LBPRGKRZSA-N 310.766 2.717 0 50 DFAA CC(C)(C)OC(=O)N1CC(CCC(=O)NC(C)(C)C2CC2)C1 859572960 XWDYTOCQPCUKOB-UHFFFAOYSA-N 310.438 2.938 0 50 DFAA C[C@H]1C[C@H](NCc2nccs2)CN(C(=O)OC(C)(C)C)C1 401715372 GYJGGVQDVKBQNG-RYUDHWBXSA-N 311.451 2.878 0 50 DFAA CSCC[C@@H](NC(=O)c1cc(CC(C)C)oc1C)C(=O)O 3618876 ADCGRQIYSOKNGD-CYBMUJFWSA-N 313.419 2.723 0 50 DFAA CC(C)c1cc(NC(=O)c2cc3ccccc3n(C)c2=O)n(C)n1 2100555287 PGMLGVOCEFRHBE-UHFFFAOYSA-N 324.384 2.648 0 50 DFAA CN(Cc1ccnc2ccccc12)[C@H](C(N)=O)c1ccccc1 2325825234 JHQYFFDKZGLFMN-SFHVURJKSA-N 305.381 2.893 0 50 DFAA C[C@H](N=c1nc(Cc2ccc(F)cc2)[nH]o1)c1ccns1 2325839754 DHMAPXUEVQDSKJ-VIFPVBQESA-N 304.350 2.851 0 50 DFAA CC(C)(C)c1cc(=N)[nH]c(=NCCc2ccc3ncccc3c2)[nH]1 2325858209 DHBCJJFXYISNFP-UHFFFAOYSA-N 321.428 2.811 0 50 DFAA CC(C)(C)NC(=O)c1ccccc1I 261123 UMHMUOUBXYRXCW-UHFFFAOYSA-N 303.143 2.820 0 50 DFAA NC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCCCC2 433882 JJTZWRPLMGBWMZ-NSHDSACASA-N 322.430 2.624 0 50 DFAA Cc1csc(NC(=O)CSc2nnc(-c3ccco3)o2)n1 529289 CHUBYAWDIUTGGX-UHFFFAOYSA-N 322.371 2.825 0 50 DFAA COc1cc2c(cc1-c1cc(C(=O)NC(C)C)ccn1)OCO2 2356148989 CUIPQNBDKASVKU-UHFFFAOYSA-N 314.341 2.624 0 50 DFAA COc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 2892385 CKJKHVODTNRYDD-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA CCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F 4195636 ZQVABNYNMVPRIX-UHFFFAOYSA-N 309.362 2.703 0 50 DFAA COc1ccc(NC(=O)c2cccc(-n3cnnc3)c2)cc1OC 6702087 VSKMNBDPTJPGBS-UHFFFAOYSA-N 324.340 2.537 0 50 DFAA CCc1cc(C(=O)N(C)Cc2noc(C3CC3)n2)oc1CC 412948279 BVIXOUTYZCZJDJ-UHFFFAOYSA-N 303.362 2.937 0 50 DFAA CCOc1ncccc1C(=O)N(CCOC)Cc1cccs1 55413619 OYOVUGNZQOAGNC-UHFFFAOYSA-N 320.414 2.831 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)nn(C)c2C)on1 53401220 SVTLDMWTSXPRRI-OAHLLOKOSA-N 316.405 2.630 0 50 DFAA Cc1ccc(CCNC(=O)[C@@H](c2cccc(F)c2)N(C)C)o1 65399225 KKZORPPASLMOBT-MRXNPFEDSA-N 304.365 2.689 0 50 DFAA O=S(=O)(CC[C@H]1CCCO1)N1CCc2c(Cl)cccc21 124290748 ZIDKODDKLPZJLG-LLVKDONJSA-N 315.822 2.601 0 50 DFAA Cc1ccc(Cl)c(OC[C@H](O)Cn2nnc3ccccc32)c1 236344 YLBWFTZICRHMHI-GFCCVEGCSA-N 317.776 2.833 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O 389660 BUGQHORRADGONS-KRWDZBQOSA-N 322.364 2.523 0 50 DFAA biogenic,in-vitro CCC[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 170673686 GDJYNAHOXFNHHL-GXFFZTMASA-N 302.340 2.880 0 50 DFAA Cc1cc(=O)n([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nc1C 72115876 BTLXEHXVJHOEEW-JTQLQIEISA-N 323.755 2.852 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)N3[C@H]4CC[C@@H]3CCNC4)c2c1 77459574 YIIAESYMQVXJHU-CABCVRRESA-N 309.413 2.818 0 50 DFAA C[C@H](O)CN1CCN(Cc2cccc(-c3ccccc3)c2)CC1 428413468 LLCFEXAOVKKIBJ-KRWDZBQOSA-N 310.441 2.852 0 50 DFAA O=C(COc1ccccc1F)N1CCC[C@@H](N2CCCC2)CC1 150778410 NSEKCXMKAQQHMM-OAHLLOKOSA-N 320.408 2.681 0 50 DFAA O=c1c2sccc2ncn1Cc1cc(-c2cccnc2)no1 32517920 AZLVDPWEKJEQBV-UHFFFAOYSA-N 310.338 2.556 0 50 DFAA CC(C)c1ccc(C(=O)N2CCC(O)(C(F)F)CC2)c(O)c1 331248584 WYTYNZAMNPOUSJ-UHFFFAOYSA-N 313.344 2.748 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1CCC(=O)O 262171888 QLCZPCQWIJJBPR-GFCCVEGCSA-N 309.337 2.694 0 50 DFAA COc1ccccc1CC1CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1 237144347 BFROAYOACGMQAT-DLBZAZTESA-N 316.445 2.604 0 50 DFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)/C=C/c1cccc2cccnc12 237369270 WYHDUBUENMYDQH-KETGZPNNSA-N 309.413 2.976 0 50 DFAA COc1cc(CNC(=O)c2ccc(F)c(C)c2)ccc1C(=O)O 237362390 VHGRXPUNPLDWAO-UHFFFAOYSA-N 317.316 2.771 0 50 DFAA Cc1cc(C)c2cc(C(=O)N3CCC[C@H](C(=O)O)C3)[nH]c2c1 237621376 VRKFKYPZIVFWLT-LBPRGKRZSA-N 300.358 2.722 0 50 DFAA O=C(CO)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71714716 USVHFJQSPOIKNY-GFCCVEGCSA-N 315.335 2.869 0 50 DFAA CN(C)C(=O)c1cccnc1CC[C@@H]1COc2ccccc2O1 222716041 PZZAFDQFRNKJAT-CYBMUJFWSA-N 312.369 2.556 0 50 DFAA CC[C@H]1CCCCN1CC(=O)N1CC(Oc2ccc(F)cc2)C1 221318862 BKBUKDWDJGJXHE-HNNXBMFYSA-N 320.408 2.680 0 50 DFAA CCCSCC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 221404036 SBJQYEFLZXPVHW-UHFFFAOYSA-N 318.442 2.642 0 50 DFAA CCc1ccc([C@H]2CN(C(=O)C3(COC)CCC3)CCO2)cc1 284680962 NDQNTVKDBFIOAP-QGZVFWFLSA-N 317.429 2.966 0 50 DFAA Cn1nc(-c2ccc(-n3cccn3)cc2)nc1N1CCCCC1 426420835 VYKLLLMHDBHLKO-UHFFFAOYSA-N 308.389 2.658 0 50 DFAA COc1cccc(CN[C@H](c2nccn2C)C2CCOCC2)c1 284841518 WUHFXYKIJXTBJD-KRWDZBQOSA-N 315.417 2.686 0 50 DFAA CC[C@H](CNC(=O)N1CCCO[C@@H](C)C1)Oc1ccccc1C 176910101 YDGKAIMCKCJVKP-JKSUJKDBSA-N 320.433 2.973 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 285197850 WKZFOLAOKQELHW-ZBFHGGJFSA-N 314.360 2.979 0 50 DFAA CCCc1cc(C(=O)N2CC(OCc3ccccc3C)C2)[nH]n1 91964879 JELIIXSQTNLFPE-UHFFFAOYSA-N 313.401 2.712 0 50 DFAA C[C@@H]1CCc2sc(C(=O)N3CCc4n[nH]cc4C3)cc2C1 92028247 XCFAIKACPXLAGS-SNVBAGLBSA-N 301.415 2.795 0 50 DFAA CCc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)s1 230067219 UCIIXLTZISPICU-OLZOCXBDSA-N 315.460 2.643 0 50 DFAA C[C@H](C(=O)O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 237444469 NAFGHZHSRQPLSJ-JMCQJSRRSA-N 322.163 2.979 0 50 DFAA COc1cccc2c1OC[C@H](Cc1ncc(C)c(N(C)C)n1)C2 95366894 LCSYYYFYHOTCRF-ZDUSSCGKSA-N 313.401 2.653 0 50 DFAA Cc1cc(C)c(C(=O)N2CCCC[C@@H]2c2nccs2)c(=O)[nH]1 91713927 PTDGSJZFMJZJKD-GFCCVEGCSA-N 317.414 2.816 0 50 DFAA O=C(Cc1cscn1)N1CCC([C@@H](O)c2cccs2)CC1 96151162 ARKSVUDRZNQFSC-OAHLLOKOSA-N 322.455 2.719 0 50 DFAA Cc1nnc(SCCCn2cc(-c3nccs3)nn2)s1 95358157 PMUQGAAXGWOPPP-UHFFFAOYSA-N 324.460 2.744 0 50 DFAA c1nc(Cc2nc([C@@H]3CCOC3)nn2CC2CCCCC2)c[nH]1 97674475 WGHWQQDKPFONLG-CQSZACIVSA-N 315.421 2.676 0 50 DFAA C[C@H](NCc1ccccc1CN1CCC(O)CC1)C1CCC1 178306223 HQBPPNGTGURMSQ-HNNXBMFYSA-N 302.462 2.922 0 50 DFAA CNC[C@H]1CCN(C(=O)COc2cc(C)ccc2C(C)C)C1 178977736 HPXKWDIDMSSBPE-OAHLLOKOSA-N 304.434 2.565 0 50 DFAA O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1ccc(F)cn1 616891256 ZSFQUGJSRFFZEF-CQSZACIVSA-N 320.389 2.916 0 50 DFAA COc1ccccc1OCCCN1CCC[C@@H](N(C)C)CC1 252483988 FLRKPQHFGQGNBM-MRXNPFEDSA-N 306.450 2.880 0 50 DFAA C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccnn1C(F)F 623010061 PDJUDTILDAUBBT-NSHDSACASA-N 320.343 2.759 0 50 DFAA CC[C@H](NC(=O)CCn1nccc1C)c1nc(C)c(C)s1 299755506 DSWLBBDOWQHSLL-ZDUSSCGKSA-N 306.435 2.922 0 50 DFAA Cc1ccc(OC2CCN(C(=O)c3c(C)ncn3C)CC2)cc1 299776734 DLBNHNBEJABOQH-UHFFFAOYSA-N 313.401 2.721 0 50 DFAA COc1cc(CCN[C@@H]2CCC3(C[C@H]2F)OCCO3)ccc1C 585135787 BFHHMLBYSODCKS-HZPDHXFCSA-N 323.408 2.769 0 50 DFAA CCc1ccc2ncn([C@H](COC)c3ccccn3)c(=O)c2c1 584888686 FYBHINIPJGKIAI-QGZVFWFLSA-N 309.369 2.590 0 50 DFAA Cc1cnccc1N1CCN([C@H]2CCN(c3ccccc3)C2)CC1 670440466 XWJDTUIHDDQECM-IBGZPJMESA-N 322.456 2.791 0 50 DFAA CCc1nc(CN(C)Cc2nc3ccc(Cl)cc3[nH]2)n[nH]1 670470548 SUTRZWCOBJKTAE-UHFFFAOYSA-N 304.785 2.529 0 50 DFAA Cc1cc(NCc2ccc3ncn(C(C)C)c3c2)n2ncnc2n1 1336701582 PUTLDPYJDATRCU-UHFFFAOYSA-N 321.388 2.975 0 50 DFAA C[C@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@]1(O)C1CCC1 1565526402 JBVWJFZKFIBXAM-ORAYPTAESA-N 314.429 2.668 0 50 DFAA O=C(Nc1ccncc1F)N1CCO[C@H](c2ccsc2)C1 184193886 RXOGUUKXLPYOPF-ZDUSSCGKSA-N 307.350 2.888 0 50 DFAA Cc1ccc(C(=O)NCCNc2nnc(C(F)F)s2)cc1 269352756 KGEHXMYNOHOBMA-UHFFFAOYSA-N 312.345 2.626 0 50 DFAA Cc1nc(C(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C)o1 408521935 AOCTZVZYTQRMSQ-RBSFLKMASA-N 306.406 2.837 0 50 DFAA NC(=O)c1cccc(CCNc2ncnc3ccc(F)cc23)c1 169975422 VWASFVKGBOGHGM-UHFFFAOYSA-N 310.332 2.522 0 50 DFAA C[C@@H]1C[C@H](C(=O)NCc2cc(O)nc(S)n2)CC(C)(C)C1 585130544 TYFMCPBGNHZKGM-ZJUUUORDSA-N 309.435 2.550 0 50 DFAA Cc1cc2c(cc1NC(=O)N1CCSC[C@H](C)C1)OCO2 192264138 UBVHNCHXMSNJDF-SNVBAGLBSA-N 308.403 2.941 0 50 DFAA C[C@H]1CN(CCSCc2ccccc2)C[C@@H]1N1CCOCC1 192616250 DMUHIPRVTCREJN-WMZOPIPTSA-N 320.502 2.572 0 50 DFAA Cc1ccc(NCc2ccc(=N)[nH]c2)c(OC[C@H]2CCCO2)c1 647547999 QQKXIIAPMQYZFU-OAHLLOKOSA-N 313.401 2.972 0 50 DFAA Cc1ccc(F)c(NC(=O)[C@@H](NC2CCOCC2)C(C)C)c1 192957537 JSWDGOLIORHQRS-INIZCTEOSA-N 308.397 2.866 0 50 DFAA Fc1ccccc1OCc1noc([C@@H]2CCn3ccnc3C2)n1 193228389 VQIYOLLWHVQFSE-LLVKDONJSA-N 314.320 2.714 0 50 DFAA CC1(C)CCN(Cc2cccc3cccnc23)CCS1(=O)=O 194964070 PZVGBNHZOUXDBN-UHFFFAOYSA-N 318.442 2.634 0 50 DFAA C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc(C(=O)O)n1 1615052030 QRVKOWZSONXBQK-SNVBAGLBSA-N 304.371 2.545 0 50 DFAA CCc1nc(C)c(C(=O)N(C2CC2)C2CCN(CC)CC2)o1 1615570377 RZFBZKBCALYDHA-UHFFFAOYSA-N 305.422 2.634 0 50 DFAA CSC[C@@H](C)c1nc(-c2cc(Br)nn2C)no1 1616041466 SPWMDDLCDOGPTF-ZCFIWIBFSA-N 317.212 2.699 0 50 DFAA CC(C)Cc1ccc(CN2CCC[C@@H](S(C)(=O)=O)CC2)cn1 1647476014 NYVXKYIVOPIJFJ-QGZVFWFLSA-N 324.490 2.679 0 50 DFAA CCN1CCC[C@@H](CN2CCC(c3ccnc(O)c3)CC2)C1 1772816476 NEZWKWZHIHEDMP-OAHLLOKOSA-N 303.450 2.699 0 50 DFAA 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315.325 2.970 0 50 DFAA COc1cccc(OCCN2CCC[C@@H](c3ccn[nH]3)C2)c1 132786628 HXUUORONXXWFMT-CQSZACIVSA-N 301.390 2.677 0 50 DFAA Cc1c([C@H](C)NC(=O)Nc2nc(C(C)(C)C)ns2)cnn1C 265323916 UCUGBQXEXUWMJM-QMMMGPOBSA-N 322.438 2.760 0 50 DFAA O=C(c1ccn2ccnc2c1)N(C[C@@H]1CCCO1)C1CCCC1 163830109 DJIAXGPXTNLEMP-INIZCTEOSA-N 313.401 2.898 0 50 DFAA Cc1nc(CC2CCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4CC3)CC2)no1 830097849 UJCMLWXPLOQRMI-MUJYYYPQSA-N 317.433 2.985 0 50 DFAA Cc1cc2nccc(NC(=O)NCC[C@@H]3CCCC3(F)F)n2n1 932452508 BMKZVHVHRHBLJO-NSHDSACASA-N 323.347 2.985 0 50 DFAA C[C@H](CN(C)C)[C@@H]1CCCCN1C(=O)c1ccc(O)c(F)c1 863947643 QJNQBIRHKGOVNV-DOMZBBRYSA-N 308.397 2.724 0 50 DFAA CCc1nnc([C@H]2CCCN(Cc3nnc(C(C)C)o3)[C@H]2C)o1 952852597 FFEYHVWCGDXIQG-RYUDHWBXSA-N 319.409 2.907 0 50 DFAA CC(C)(C)C[C@@H]1CNC(=O)N(Cc2ncccc2Cl)C1=O 1875289157 VKMOTOSEQAGKRF-SNVBAGLBSA-N 309.797 2.839 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)c1cn(C)nc1C(F)(F)F 1875296351 RMNXREXIABGTPJ-SECBINFHSA-N 312.295 2.667 0 50 DFAA COC(=O)c1cc(O)cc(C(=O)N(C)Cc2ccccc2F)c1 1875264284 GVOAPDNMHSEENG-UHFFFAOYSA-N 317.316 2.590 0 50 DFAA COc1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)[nH]n1 1875285152 DSQCUXPAEOADLI-CYBMUJFWSA-N 317.364 2.795 0 50 DFAA C=CC(=O)N(Cc1nc2c(s1)C[C@H](C)CC2)[C@@H](CC)CO 1875382012 NLOBFEGCMYYOGE-NEPJUHHUSA-N 308.447 2.553 0 50 DFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1cc(C2CC2)[nH]n1 890459465 XMUSWZXWTNNACE-UHFFFAOYSA-N 321.384 2.949 0 50 DFAA C1=C[C@]2(CCCN(c3nccn4cnnc34)C2)Oc2ccccc21 896886146 RYSUKDHZIHSMHJ-SFHVURJKSA-N 319.368 2.569 0 50 DFAA CC(C)(C)[C@H](NC(=O)N1C[C@@H](O)CC2(CCC2)C1)C(F)(F)F 2325769479 HZQFAEQSDIHMLT-QWRGUYRKSA-N 322.371 2.910 0 50 DFAA Cc1nscc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 2325781155 QJOBWLZYYBUBMG-NOZJJQNGSA-N 321.427 2.671 0 50 DFAA Cc1c(C(=O)Nc2cnn(CCN)c2)sc2ccc(F)cc12 2325856685 ZKSCPUSSYKMKTJ-UHFFFAOYSA-N 318.377 2.756 0 50 DFAA NC(=O)CSc1nnc2scc(-c3ccc(Cl)cc3)n12 203069 UUJJALCDZOJQHI-UHFFFAOYSA-N 324.818 2.689 0 50 DFAA C[C@@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccccc2O1 295043 WXPRLJXHPFPOGM-KBXCAEBGSA-N 311.381 2.964 0 50 DFAA CC(C)Nc1cc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)ncn1 2356159141 NVDSWDIHAKSLAG-QGZVFWFLSA-N 312.421 2.504 0 50 DFAA CCOC(=O)CCN(C[P@@](C)(=O)OC(C)C)C(=O)OCC 2904734 UCTAQMNRLRAWBU-NRFANRHFSA-N 323.326 2.689 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 3607362 HVWYQFOOKYBPQC-CYBMUJFWSA-N 313.353 2.807 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)C(=O)N1c2ccccc2C[C@H]1C 59769771 HLGBXCSTDYNOED-OKILXGFUSA-N 320.392 2.942 0 50 DFAA O=C(NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1cc(F)cc2nc(S)[nH]c12 225388809 RCSZFRPKTXPABT-JTNSGFRCSA-N 317.389 2.765 0 50 DFAA CC(C)n1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 225680438 IZVUNWZYAUKDGX-JKSUJKDBSA-N 317.364 2.551 0 50 DFAA Cc1cc2ccccc2n1CCC(=O)NCC1CCOCC1 55182482 MBTPWHLDBJQZKJ-UHFFFAOYSA-N 300.402 2.883 0 50 DFAA O=C(NCCC1=CCCCC1)NC[C@@H](O)Cc1ccccc1 171572246 WXWNTDNKPIUKRA-KRWDZBQOSA-N 302.418 2.780 0 50 DFAA Oc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2)c1 67974788 OPHKDEKMSLEASG-GOSISDBHSA-N 306.369 2.658 0 50 DFAA Cc1nc(CN2CC[C@H](c3ccccc3)C2)n(-c2ccccn2)n1 65395902 UWADMZAGBLNCPW-KRWDZBQOSA-N 319.412 2.960 0 50 DFAA O=C(CCN1CCCCCCC1)NCc1ccc(C(=O)O)cc1 63857556 BDIXZFJKPPAERJ-UHFFFAOYSA-N 318.417 2.657 0 50 DFAA CN(CC(=O)c1ccc(O)cc1)C(=O)c1cc2ccccc2n1C 67758722 BLVQRQRUXVGVED-UHFFFAOYSA-N 322.364 2.839 0 50 DFAA C[C@H](C(=O)Nc1ccc(F)cc1)n1ncc2ccccc2c1=O 65362377 SZSAPDFCNHLUAX-LLVKDONJSA-N 311.316 2.735 0 50 DFAA CSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C 12336534 BITIQFWDYHVUHE-UHFFFAOYSA-N 312.439 2.652 0 50 DFAA O=C(c1cccc(CN2CCOCC2)c1)N1CCc2ccccc21 33359616 DCNXPBOXUNHKFJ-UHFFFAOYSA-N 322.408 2.722 0 50 DFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 251566509 HBEGYKGREYREFS-AEFFLSMTSA-N 313.445 2.718 0 50 DFAA O=c1c2nccnc2ncn1C1c2ccccc2-c2ccccc21 32523762 BYMKANKYYBTLDW-UHFFFAOYSA-N 312.332 2.805 0 50 DFAA Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3C=CCC3)C2=O)cc1 170611785 GSSQFBOGVIRBLL-WBVHZDCISA-N 312.413 2.568 0 50 DFAA CN1CCCC[C@@H]1CCN1CCN(c2ccc(F)cc2)CC1 355493167 CCQGPBBWDNPBLK-QGZVFWFLSA-N 305.441 2.822 0 50 DFAA C[C@H]1[C@@H](C)N(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CCN1C 356901103 MCPSWBPSSNCLIT-NWDGAFQWSA-N 319.836 2.915 0 50 DFAA CCc1ccc(CN(CC(C)C)C(=O)C[C@H]2CNCCO2)cc1 215774394 HTLDUGFSHYFNCV-SFHVURJKSA-N 318.461 2.612 0 50 DFAA Cn1c(CN2CCN(c3cccnc3)CC2)cc2ccccc21 77287495 AGQZNCRQIUXVHV-UHFFFAOYSA-N 306.413 2.896 0 50 DFAA CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)O 263196139 UFYIBSLPVMNLSR-VIFPVBQESA-N 306.145 2.595 0 50 DFAA O=C(c1csc(-c2cnccn2)n1)N1CCC[C@@H]1C1CC1 377534430 SSGMNTCVZICIAI-CYBMUJFWSA-N 300.387 2.615 0 50 DFAA O=C(NC[C@H]1CCOC2(CCC2)C1)Nc1ccn2ccnc2c1 333213401 ULALELKCACCTSP-ZDUSSCGKSA-N 314.389 2.805 0 50 DFAA Cc1cc(NCCN(C)C)n2nc(-c3ccccc3)c(C)c2n1 40216591 CPPRWXIMFIZHKB-UHFFFAOYSA-N 309.417 2.987 0 50 DFAA Cc1c[nH]cc1C(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCC1 496593356 VITVTYAUKYDIAR-UHFFFAOYSA-N 321.421 2.843 0 50 DFAA C[C@@H]1c2ccccc2CCN1S(=O)(=O)CC[C@H]1CCCO1 241884838 SYGDOCPGVDWEKE-UKRRQHHQSA-N 309.431 2.505 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)c2conc2-c2ccccc2)n[nH]1 426474269 NAUKSHSYFOVDKM-LLVKDONJSA-N 310.357 2.734 0 50 DFAA Cc1ncsc1CCCNC(=O)N1CC(c2ccccn2)C1 426693703 JHQLOYPORJWEFC-UHFFFAOYSA-N 316.430 2.588 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)CCCOc2ccccc2)C1 91987939 LVFVQNGCFFSXHX-MRXNPFEDSA-N 316.445 2.931 0 50 DFAA CCc1nc(CNC(=O)[C@@H]2COc3ccccc3C2)cs1 95522129 FFZOFLQRPCGZQP-LBPRGKRZSA-N 302.399 2.573 0 50 DFAA Cc1ccc(C)n1CC(=O)N(C)C[C@H]1CCCN2CCCC[C@@H]12 334160319 AYCSMHCNADWSOC-MSOLQXFVSA-N 317.477 2.828 0 50 DFAA Cc1nc(C(C)C)ncc1C(=O)N1CCN[C@@H](c2ccccc2)C1 97642032 FSWNXWWIXVMFNY-QGZVFWFLSA-N 324.428 2.695 0 50 DFAA COCCN(CC1CC1)C(=O)Nc1cccc(N(C)C(C)=O)c1 97394212 WBGGPFXURLQJNI-UHFFFAOYSA-N 319.405 2.560 0 50 DFAA CN1CCC(Oc2ccc(I)cc2)CC1 145552240 ROETWRYEPPEZBA-UHFFFAOYSA-N 317.170 2.764 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 239426038 VQFOGXGGJWPGIM-DRMAHVMPSA-N 305.333 2.673 0 50 DFAA O=C(NCCN1CCC(c2ccccc2)CC1)c1cncs1 244874852 XIHMOGDWSKEBMY-UHFFFAOYSA-N 315.442 2.753 0 50 DFAA COc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1 298694722 FRBYTQFRFYJQBP-UHFFFAOYSA-N 321.327 2.811 0 50 DFAA C[C@H](NCc1ccc(OCc2ccccn2)cc1)c1nncn1C 264373619 MLJXWBQVFVHJHL-AWEZNQCLSA-N 323.400 2.640 0 50 DFAA C[C@H](c1ccc(-c2nc(N)nc3[nH]cnc23)cc1)N1CCCC1 534664750 IKWIIQOZMHQHNV-LLVKDONJSA-N 308.389 2.759 0 50 DFAA CSc1ccc(S(=O)(=O)NCC[C@@H]2CCCOC2)cc1 534592154 KKGYHUVLWSJAHU-LBPRGKRZSA-N 315.460 2.504 0 50 DFAA Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(-c2ncn[nH]2)cc1 184070712 DPOIYOBSZHPREZ-INIZCTEOSA-N 321.384 2.788 0 50 DFAA CCCn1nc(C)cc1NC(=O)N[C@@H](CC)c1nc(C)no1 299789600 YFTSJUUVQIJTLB-NSHDSACASA-N 306.370 2.566 0 50 DFAA CCCCn1nc(-c2cccc(F)c2)nc1CCCC(N)=O 822888826 KWQMRQZCFITFDE-UHFFFAOYSA-N 304.369 2.692 0 50 DFAA CC[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 1413070785 PBNFCEBABLUVDK-QXSJWSMHSA-N 317.433 2.736 0 50 DFAA c1cc2c(cc1C1(CNCCO[C@@H]3CCCCO3)CC1)OCO2 1462277938 ZOHMUVRSEDARBE-QGZVFWFLSA-N 319.401 2.580 0 50 DFAA CCC(CC)n1ncc(C(=O)NCCc2cncc(O)c2)c1C 408517350 AXHUZQNSUAGESQ-UHFFFAOYSA-N 316.405 2.626 0 50 DFAA COc1ccccc1[C@H]1CCN(C(=O)NCC2(OC)CCC2)C1 272629470 YMOBKLJPYIYQDM-AWEZNQCLSA-N 318.417 2.763 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc3cc[nH]c3c2)cn1 275425888 PFRFBRDLSGLTRO-DOTOQJQBSA-N 324.384 2.552 0 50 DFAA CCOc1ccc([C@@H](NC(=O)[C@@H]2CCNC2)c2ccccc2)cc1 170048757 PELGACCTPYKVED-MJGOQNOKSA-N 324.424 2.900 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CC[C@@H](c3cccnc3)C2)c1 634690086 CNJHMUSKHIWYGH-NVXWUHKLSA-N 312.369 2.705 0 50 DFAA O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(C(F)(F)F)cc1 190349850 BAPVVSFZXBHKIV-UHFFFAOYSA-N 310.279 2.633 0 50 DFAA CCO[C@H](CCNC(=O)N1CCSCC[C@H]1C)C(C)C 195579686 JRLOCTCKXCKOGN-ZIAGYGMSSA-N 302.484 2.975 0 50 DFAA C[C@@H](Cc1ccccc1F)NCc1nc([C@H]2CCCO2)n[nH]1 655795162 YTWBLSNUYXYCFR-SMDDNHRTSA-N 304.369 2.516 0 50 DFAA CN(C[C@@H]1CCCN1C)c1ccc(-c2ccc(F)cc2)nn1 1506401773 FWAOSPZMEWFTQZ-HNNXBMFYSA-N 300.381 2.813 0 50 DFAA CCOP(=O)(OCC)Oc1ccc(S(C)(=O)=O)cc1 2521487 KUBUBYBFFRVFHD-UHFFFAOYSA-N 308.292 2.650 0 50 DFAA in-vitro Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1 128835962 METVAQBGSXRFAG-VXGBXAGGSA-N 312.207 2.647 0 50 DFAA Brc1ccsc1CNCCCn1cccn1 163724179 HCODJDNDXZARQI-UHFFFAOYSA-N 300.225 2.887 0 50 DFAA C[C@H](CC(F)(F)F)N1CCC(c2ccn(C)c(=O)c2)CC1 1772819139 FVORTGREAMCTME-LLVKDONJSA-N 302.340 2.906 0 50 DFAA Cc1[nH]c2c(CNC(=O)CCN3CCCO3)cc(F)cc2c1C 11705509 IOLYUIGDIRUCIH-UHFFFAOYSA-N 319.380 2.567 0 50 DFAA COC[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2)no1 11815092 SPCQFYMVBCVEAO-AWEZNQCLSA-N 317.389 2.746 0 50 DFAA Cc1cccc(CN2CCC(C(=O)NCc3ccncc3)CC2)c1 16606984 FWKMUIFCGLJLAT-UHFFFAOYSA-N 323.440 2.918 0 50 DFAA CN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 16651677 IDBCIMCVSMAAQB-IRXDYDNUSA-N 319.426 2.764 0 50 DFAA OCC[C@@H]1CN(Cc2cccc(F)c2F)CCN1C1CCCC1 19842123 QTUNXCLSNCQLLM-MRXNPFEDSA-N 324.415 2.776 0 50 DFAA Cc1ccc(C=CCC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 1857532814 CRMBNEZCKVGAIT-MRXNPFEDSA-N 312.413 2.525 0 50 DFAA CCCCOc1cccc(NC(=O)N2CC[C@@H]3CNC[C@@H]32)c1 414983443 BYCXWXWHODBAAL-CJNGLKHVSA-N 303.406 2.691 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccncc2)cc1 119864115 AWZCHFCDFBMYSK-GJZGRUSLSA-N 318.442 2.903 0 50 DFAA Cc1cc2ncn(S(=O)(=O)N3CCCCCC3)c2cc1C 4840512 MIWLIMCVUVCWEC-UHFFFAOYSA-N 307.419 2.622 0 50 DFAA Cc1ccccc1-c1nc(C(=O)N(CC(=O)O)C2CC2)cs1 237700850 LTEQARPYEAPYOU-UHFFFAOYSA-N 316.382 2.808 0 50 DFAA Cc1oc2ccccc2c1CN1CCS(=O)(=O)[C@H](C)[C@@H]1C 129066364 FWXKULKLCINADJ-WCQYABFASA-N 307.415 2.749 0 50 DFAA CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c(N)nnc1SC 16626098 FKYPCOADXCJRMY-LBPRGKRZSA-N 319.434 2.789 0 50 DFAA CCCOc1ccc2c(c1)CCN(C(=O)Nc1cnn(C)c1)C2 154942087 UZGIYZDSGOTTJQ-UHFFFAOYSA-N 314.389 2.799 0 50 DFAA CCc1ncnc(NCc2cccc(N3CCCC3=O)c2)c1F 157812604 WHHCXBMBGVGLPT-UHFFFAOYSA-N 314.364 2.917 0 50 DFAA C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1CCCCCCC1 846230902 IKVJOKFSQDOBFI-AWEZNQCLSA-N 318.417 2.656 0 50 DFAA COc1ccc(C2CCN(C(=O)c3cc(C)sn3)CC2)cn1 863948017 SBRPUTBKMSTZGN-UHFFFAOYSA-N 317.414 2.875 0 50 DFAA CC(C)c1ccc([C@H](C)NC(=O)[C@]23CCN[C@H]2CCOC3)cc1 1875294893 YABLDWPJYOFXJM-FNHZYXHNSA-N 316.445 2.756 0 50 DFAA O=C(Nc1ccccn1)c1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1 1875384655 HZHMRJGGXMSZJC-OPAMFIHVSA-N 323.396 2.807 0 50 DFAA COC[C@@H](Nc1ncc2c(n1)COC2)c1ccc(F)c(F)c1 2325767238 ONDRCLBASTUVEW-CYBMUJFWSA-N 307.300 2.585 0 50 DFAA Cc1cc([C@H]2CCCCN2C(=O)c2ccc3cncn3c2)n[nH]1 2325774313 HRDANFTYDYFECK-MRXNPFEDSA-N 309.373 2.733 0 50 DFAA c1ccc([C@@H](Cn2ccnc2)N[C@@H]2CCc3cnoc3C2)cc1 2325801883 ZJBYMWHVVONCLU-IAGOWNOFSA-N 308.385 2.760 0 50 DFAA NC(=O)c1c[nH]c2ncnc(Nc3ccc(F)c(Cl)c3)c12 2325866575 QDIFBALCCCVRLF-UHFFFAOYSA-N 305.700 2.593 0 50 DFAA Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C(=O)O)cc1F 2325873712 QUCRZFSYUZHHSI-GOEBONIOSA-N 313.328 2.862 0 50 DFAA COc1cc(C(=O)n2nc(C)c(C)c2C)cc(OC)c1OC 206769 ZQCWCMVYVBHUNF-UHFFFAOYSA-N 304.346 2.523 0 50 DFAA biogenic,in-vitro CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1ccccc1)C2=O 210295 ZIXCLTBHXJTTHU-QGZVFWFLSA-N 319.364 2.684 0 50 DFAA O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 219769 FGDOEAYFQCTOAL-MRXNPFEDSA-N 314.429 2.527 0 50 DFAA CC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 307098 VUNISXQXFXUJGJ-UHFFFAOYSA-N 302.374 2.524 0 50 DFAA COc1cc(NC(=O)Cc2cccs2)cc(OC)c1OC 1055460 UCERXBOOGYNWQL-UHFFFAOYSA-N 307.371 2.955 0 50 DFAA CCOC(=O)[C@@H](C(C)=O)[C@@H](CC(C)=O)c1ccc(OC)cc1 1681242 RXJJDNNJRDDOLP-HOTGVXAUSA-N 306.358 2.526 0 50 DFAA CC1=CC2(CCN(C(=O)Cc3ncccc3C)CC2)OCC1 2356135989 BMCQPKWSSMYYTI-UHFFFAOYSA-N 300.402 2.660 0 50 DFAA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C)cc2)NC(=O)N1 4113594 RWMNPEHDTWHWFU-HNNXBMFYSA-N 302.374 2.822 0 50 DFAA C[C@@H](NC(=S)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 4693945 AIBWWRPABYBVTP-JISDDCRVSA-N 308.491 2.798 0 50 DFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ncc(C3CC3)o2)C1 225651202 CFQHALFYBRXUQO-GJZGRUSLSA-N 302.349 2.999 0 50 DFAA Cc1cccc2nc(C(=O)Nc3cnc4n3CCCC4)c(F)n12 67834177 XVSSKQIBMUDQRK-UHFFFAOYSA-N 313.336 2.567 0 50 DFAA CC(C)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 67790756 MWWAJWHURRVPRU-GOSISDBHSA-N 305.441 2.821 0 50 DFAA CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc(F)cc1 20026329 BKPAVWMACJMYOK-IRXDYDNUSA-N 301.365 2.569 0 50 DFAA CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)[C@@H]1CCNC1 247335281 VWFDGMAGHZXJFN-ADEWGFFLSA-N 313.228 2.917 0 50 DFAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccnc1 249685099 FGLNUNLFBWTTJV-FJIDUMEYSA-N 313.445 2.660 0 50 DFAA COc1cccc(CN2CCN(C(=O)c3ccccc3C)CC2)c1 20418392 UYVLAMKHUIAUKH-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 252477416 NJHDNXFNWKVROZ-LXTVHRRPSA-N 324.421 2.739 0 50 DFAA CC(C)COC(=O)N1CCC(N[C@@H]2CCC[C@H]3OCC[C@@H]23)CC1 252586132 NROBCPPJSSGPTH-GVDBMIGSSA-N 324.465 2.791 0 50 DFAA CCOC[C@H](O)CN1CCC[C@H]1c1nc2ccccc2n1CC 252517728 PYUQBZFGGFEAGQ-PBHICJAKSA-N 317.433 2.591 0 50 DFAA COCC(C)(C)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 121231681 YJSRSKVRSINTLN-ZDUSSCGKSA-N 306.406 2.523 0 50 DFAA CN(C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cn1 253415484 IYUGZOKULIXCBF-AWEZNQCLSA-N 321.421 2.792 0 50 DFAA O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccncc1F 328613599 SQCUCHCZFCCDMH-CZUORRHYSA-N 300.333 2.728 0 50 DFAA Cc1noc([C@@H]2CC[C@H](CNCc3cccc4cnccc34)O2)n1 328628778 OCJWSOHTYZZCNK-WBVHZDCISA-N 324.384 2.936 0 50 DFAA COC(=O)c1occc1[C@@H]1Nc2ccc(C)cc2C(=O)N1C 153694123 ROSNRDQKRQBCOH-CQSZACIVSA-N 300.314 2.571 0 50 DFAA O=C(c1ncccc1Oc1ccccc1)N1CC([C@@H]2CCOC2)C1 374203456 DAMPNOPXHWPCJO-CQSZACIVSA-N 324.380 2.982 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1 155068080 KYYGXZFMWXEJJT-LERXQTSPSA-N 312.335 2.629 0 50 DFAA Cc1oncc1C(=O)Nc1nn(C)c2cccc(OC(C)C)c12 72453929 VMKQJGHKJPJNEA-UHFFFAOYSA-N 314.345 2.909 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cnc(Cc2ccccc2)s1 237528533 BZRKLAJPQBOQPN-JSGCOSHPSA-N 315.442 2.686 0 50 DFAA Cc1nnc(CN(C)Cc2nn(C)c3cccc(Cl)c23)o1 216421771 JEQLTCUUBWLBMA-UHFFFAOYSA-N 305.769 2.550 0 50 DFAA C[C@H](CS(=O)(=O)NC(=O)C[C@H]1C=CCC1)c1ccccc1 129924869 KYWZQZRHXDJOGC-KGLIPLIRSA-N 307.415 2.592 0 50 DFAA C[C@]1(F)CCCN(S(=O)(=O)c2ccc3ncccc3c2)C1 332526791 CXIDDTPKXQGZDG-HNNXBMFYSA-N 308.378 2.748 0 50 DFAA O=C(Nc1cnc2c(n1)CCCC2)c1ccc2ncccc2c1 377469377 CGLJROTYDDGLMM-UHFFFAOYSA-N 304.353 3.156 0 50 DFAA Cc1nn(C)cc1[C@H]1CCCN1c1ccc(C(F)(F)F)nn1 378366739 YZPMSDXYRXHBMG-LLVKDONJSA-N 311.311 2.879 0 50 DFAA C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cc1ccoc1 130401336 ZGOBAQACHSLFMS-TZMCWYRMSA-N 322.405 2.726 0 50 DFAA O=C(O)CCNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 263294729 VWOOJTKYKHOJEB-JTQLQIEISA-N 322.258 2.593 0 50 DFAA Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)co1 241121893 JEPHADCWMGUFGI-UHFFFAOYSA-N 318.417 2.843 0 50 DFAA Cc1nc[nH]c1CNC(=O)c1ccc2cccc(Cl)c2n1 426652002 NXBDOZURLRRTKQ-UHFFFAOYSA-N 300.749 2.850 0 50 DFAA Cc1cnc(CNC(=O)N(C)Cc2csc(C(C)C)n2)[nH]1 426699893 HSWAJGVACSNRQI-UHFFFAOYSA-N 307.423 2.640 0 50 DFAA CCCn1cc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c(C)n1 91593051 JAOUQWQNTQPOMN-AWEZNQCLSA-N 305.422 2.823 0 50 DFAA C[C@](O)(C(=O)NCc1ccc(OC2CCCC2)cc1)C1CC1 286075677 JIEXMNDTZXIADM-GOSISDBHSA-N 303.402 2.785 0 50 DFAA Cc1cccc(OC2CCN(c3nc(CO)cs3)CC2)c1 95529709 XBSVISFAIOAUCT-UHFFFAOYSA-N 304.415 2.992 0 50 DFAA CN1CCCCC[C@H]1C(=O)N1CCCN(c2ccccc2)CC1 91486775 WUNWYYILZCEWCN-SFHVURJKSA-N 315.461 2.600 0 50 DFAA Cc1c(CN2CCC3(CC2)C[C@@H](O)CO3)[nH]c2ccc(F)cc12 97759402 FIIGUBHPXXKPDX-CQSZACIVSA-N 318.392 2.731 0 50 DFAA C[C@H]1CN(C(=O)Nc2ccc(-n3cccn3)nc2)CCC1(F)F 290463002 PXOUGSYSGDZFIY-NSHDSACASA-N 321.331 2.776 0 50 DFAA Cc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)nc(C)n1 825264395 ATMLBRWBINONQJ-GFCCVEGCSA-N 310.279 2.522 0 50 DFAA O=C(Cc1nc2ccccc2o1)NCc1ccc2nsnc2c1 827856048 ICJFPRTYUBZSLL-UHFFFAOYSA-N 324.365 2.691 0 50 DFAA CN1CCCC[C@H]1CNC(=O)c1ccc(Cn2cccc2)cc1 584893369 BWPAJRXNUYOCBE-SFHVURJKSA-N 311.429 2.751 0 50 DFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cnc(C3CC3)nc2)c1C 584896877 PEBFXIRJHLSYJR-SNVBAGLBSA-N 313.405 2.678 0 50 DFAA CCCCc1ccc(S(=O)(=O)N2CCC[C@@H](OC)C2)cc1 952985557 FNFOEOZIELWZBA-OAHLLOKOSA-N 311.447 2.829 0 50 DFAA Cc1nc(-c2ccc(NC(=O)[C@H]3CC(C(C)C)=NO3)cc2)n[nH]1 952868381 MJJBWFBWAPPZKH-CQSZACIVSA-N 313.361 2.520 0 50 DFAA NC(=O)C[C@@H]1CCCCN1CCc1cccc(C(F)(F)F)c1 628156268 JQWWVQQFJSHDPO-AWEZNQCLSA-N 314.351 2.978 0 50 DFAA C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]([C@@H](C)N)C1 269261212 JKXUFOHZLAIGPH-IIAWOOMASA-N 306.425 2.980 0 50 DFAA Cc1c(NC(=O)[C@H]2CCCC(=O)N2)cccc1C(F)(F)F 270376408 IYUTUNWTWOZYNU-LLVKDONJSA-N 300.280 2.621 0 50 DFAA O=C(CC1(O)CCCCC1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 408062142 NEMMJJPRJJOKNI-JKSUJKDBSA-N 321.392 2.545 0 50 DFAA COc1ccc(CNc2ccccc2O[C@@H]2CCOC2)cn1 408514259 KBCBOSWWHVNARJ-CQSZACIVSA-N 300.358 2.870 0 50 DFAA CCCn1ncnc1COc1ccc(NC(=O)OCC)cc1 408525054 JAIAPSZGORMEIP-UHFFFAOYSA-N 304.350 2.836 0 50 DFAA O=C1CCCCN1CC(=O)N1CCCC[C@H]1c1ccccc1 273915815 PZBCZPWCAQJBCD-INIZCTEOSA-N 300.402 2.753 0 50 DFAA COc1ccc(OC)c(C(=O)N[C@@H]2COc3ccc(F)cc32)c1 170596806 CMECRZDFEFXWCN-CQSZACIVSA-N 317.316 2.706 0 50 DFAA COC[C@@H](C)n1ccc(NC(=O)NCc2cccc(F)c2)n1 189928385 ILUCYLUMSXGYSZ-LLVKDONJSA-N 306.341 2.551 0 50 DFAA Cc1nnccc1C(=O)Nc1cc(CCc2ccccc2)[nH]n1 677092366 SDZZWEPMLAETJF-UHFFFAOYSA-N 307.357 2.546 0 50 DFAA COc1cc(CNC(=O)C[C@H](C)Cc2cccc(F)c2)on1 585128338 YTRCDOUNDLENDR-LLVKDONJSA-N 306.337 2.707 0 50 DFAA O=C(CCN1CCC[C@H]1c1ccncn1)Nc1cccc(F)c1 585115944 ARWXQOWRMAKEHC-INIZCTEOSA-N 314.364 2.781 0 50 DFAA C=CC(=O)NCc1cccc(CN(C)C(=O)OC(C)(C)C)c1 1875368015 IXSOHRCCCITWGS-UHFFFAOYSA-N 304.390 2.856 0 50 DFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)Cc1ccccn1 1506397030 XVONXEVRXHNOSR-KRWDZBQOSA-N 312.417 2.600 0 50 DFAA CCc1nc(N(C)CC2CCN(Cc3ccccc3)CC2)no1 1506420715 BWBCCBLWOZSUBW-UHFFFAOYSA-N 314.433 2.980 0 50 DFAA CC(C)n1cc(NC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cn1 1529172274 BJYAWFHYVKONGD-ZDUSSCGKSA-N 318.421 2.584 0 50 DFAA Cc1ccc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)s1 111239577 KGTIGQGHEKINOT-NSHDSACASA-N 307.293 2.536 0 50 DFAA CC(=O)N[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C(C)C 216632895 JKUYPFWALLNABL-OLZOCXBDSA-N 315.339 2.697 0 50 DFAA COc1nc(N[C@@H](C)c2ccc3c(c2)OCCCO3)ncc1F 1772701800 PHPKABZVCWMRNX-JTQLQIEISA-N 319.336 2.959 0 50 DFAA O=C([C@@H]1CC12CCCC2)N1CCCN(c2ccncc2F)CC1 1772814306 RXAADWUNULMDOT-AWEZNQCLSA-N 317.408 2.840 0 50 DFAA Cc1ccsc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1 1772810408 MHIYPXYHCAHYHS-UHFFFAOYSA-N 316.426 2.775 0 50 DFAA COc1cc(C=O)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 5064247 UCPCDIOINZGODM-GXTWGEPZSA-N 305.374 2.581 0 50 DFAA Cc1ccc(OCC(=O)Nc2ccc(-n3nncc3C)cc2)cc1 12274123 AXCPBABSNJZEKR-UHFFFAOYSA-N 322.368 2.902 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1ccc2cccc(F)c2n1 1857685851 XHGCQFLVQFQVCM-WFASDCNBSA-N 313.376 2.569 0 50 DFAA O=C(O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 158570 ISTBYLZYNVIQFS-UHFFFAOYSA-N 301.323 2.577 0 50 DFAA in-vitro C[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 619560 KRQWDBCVJIAFQI-CHWSQXEVSA-N 311.447 2.782 0 50 DFAA O=C(NCc1cccc(Cl)c1)N[C@H]1c2ccccc2C[C@H]1O 124626864 KDKGUHZWFIINHY-CVEARBPZSA-N 316.788 2.798 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)o1 237977101 AYDCFQZMWXFBFH-CYBMUJFWSA-N 317.316 2.964 0 50 DFAA CN(Cc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)C1CC1 240471621 GDHMNIJQQUMOQN-GOSISDBHSA-N 322.408 2.913 0 50 DFAA CN(C)[C@H](C(=O)NCc1nccs1)c1ccc(Cl)cc1 585091099 XUBWSTUMXXQMBP-ZDUSSCGKSA-N 309.822 2.716 0 50 DFAA Cc1cc(C)c(C(=O)N2CCN(C(=O)c3ccsc3)CC2)o1 267176765 GCGPIVWJNRKQFA-UHFFFAOYSA-N 318.398 2.556 0 50 DFAA CCCCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc2ccsc12 1102537980 FYRWLFKHXJYMKS-RYUDHWBXSA-N 316.430 2.671 0 50 DFAA Cc1oc(C(C)C)nc1C(=O)N1CCc2occc2[C@H]1C(=O)O 910204368 HLLIORQKXOBMGK-ZDUSSCGKSA-N 318.329 2.524 0 50 DFAA COC(=O)C1CCN(C(=O)OCc2ccc(Cl)cc2)CC1 820757679 JYXKEYZTXIWXHR-UHFFFAOYSA-N 311.765 2.862 0 50 DFAA COCn1cc(NC(=O)c2scnc2C2CCCC2)cn1 824492760 CVVFWQFSVFRLCI-UHFFFAOYSA-N 306.391 2.853 0 50 DFAA Cc1nccc(N2CCC[C@H]2CN(C)C(=O)C2CCCCC2)n1 1875312542 NYBLKVKBCJOPJW-INIZCTEOSA-N 316.449 2.793 0 50 DFAA Cn1c(=O)oc2cc(CNCc3noc4ccccc34)ccc21 1308518564 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CC(C)c1nccc([C@H]2CC(=O)Nc3cc4[nH]ncc4cc32)n1 65470296 CMVLNFSNATYKPF-LBPRGKRZSA-N 307.357 2.950 0 50 DFAA Cc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1c[nH]cn1 67673969 PFASXKWMMTYPDL-LLVKDONJSA-N 311.389 2.907 0 50 DFAA Cn1nc(Br)c([N+](=O)[O-])c1NCc1ccccc1 115067040 ZHGKIYFHDLVZIM-UHFFFAOYSA-N 311.139 2.703 0 50 DFAA O=C(O)c1c(NCc2cccs2)c2ccccc2[nH]c1=O 170624655 BJLZLVPRPZIEQS-UHFFFAOYSA-N 300.339 2.900 0 50 DFAA Cc1nccn1C[C@H](C)NCc1nc2cc(Cl)ccc2[nH]1 67739514 UHLBKXPGMIMHJE-JTQLQIEISA-N 303.797 2.900 0 50 DFAA Cc1ccc(CC(=O)NCCc2cccc(C(=O)O)c2)cc1C 320507234 YEAMYOGOJSNQFP-UHFFFAOYSA-N 311.381 2.903 0 50 DFAA C[C@@H](CCc1ccc(O)cc1)N1CCN(c2ccccn2)CC1 757731 JBBUQGKAJRZPQP-INIZCTEOSA-N 311.429 2.931 0 50 DFAA Cc1noc(C[C@@H](NC(=O)Cc2ccco2)c2ccccc2)n1 429532774 ZTFPSAZMKBTPLF-OAHLLOKOSA-N 311.341 2.614 0 50 DFAA CC(C)C(=O)Nc1cc(C(=O)Nc2ccc(O)cc2F)ccn1 436815223 KADZNDCCMOTWPQ-UHFFFAOYSA-N 317.320 2.773 0 50 DFAA Cc1nc(CCNC(=O)Cc2ccsc2)nc2c1CCCC2 218818640 CKYPQFJKUUUXNL-UHFFFAOYSA-N 315.442 2.627 0 50 DFAA O=C(CCCn1cccc1)N1CC[C@@](O)(c2ccc(F)cc2)C1 369238805 SJGVESXHSBAFCI-SFHVURJKSA-N 316.376 2.528 0 50 DFAA CC(C)(C)CN1C[C@H](Nc2ncnc3sccc23)CC1=O 72145218 QWQQDLUQRGRAHH-SNVBAGLBSA-N 304.419 2.750 0 50 DFAA Cc1noc(C)c1CO[C@H]1CCOC[C@H]1Nc1ccncc1F 220012099 FMFQVUNCLVZQRD-CVEARBPZSA-N 321.352 2.612 0 50 DFAA CC[C@@H]1[C@@H](NC(=O)c2cc(CC(C)C)nn2CC)[C@@H]2CCO[C@@H]21 223938157 JTUSOQAQZNLMAZ-YALNPMBYSA-N 319.449 2.645 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)COCC(F)(F)C(F)F)no1 222897035 BJBCZHRPYVMUML-SNVBAGLBSA-N 324.274 2.564 0 50 DFAA CCC(CC)n1ncc(C)c1NC(=O)NCc1cc(C)[nH]n1 96164553 INPYSKCIXDCOKM-UHFFFAOYSA-N 304.398 2.906 0 50 DFAA CN(C)c1ccccc1-c1cncc(C(=O)N2CCCCC2)n1 97492365 SHGUGIGOTIMILG-UHFFFAOYSA-N 310.401 2.836 0 50 DFAA COc1ccc(-c2ccc(N3CCSCC3)nn2)cc1F 97301381 MENHXSLTDVKHEP-UHFFFAOYSA-N 305.378 2.845 0 50 DFAA CCc1nc(C)sc1CNC(=O)[C@]1(C)CCCN(CC)C1 91943065 LCRIMRVIAWWCQN-MRXNPFEDSA-N 309.479 2.752 0 50 DFAA CCC[C@@]1(CO)CCN(CCOc2ccc(OCC)cc2)C1 288696660 DOCXUHXNSRAZBF-GOSISDBHSA-N 307.434 2.949 0 50 DFAA COc1ccc(-n2nc(C(C)C)nc2-c2ccn(C)c(=O)c2)cc1 96141410 PEGHUABGGHVJSC-UHFFFAOYSA-N 324.384 2.765 0 50 DFAA COCC1(NC(=O)Cc2nc(-c3ccccc3)cs2)CC1 612519796 PFKVIOHRMPRWMV-UHFFFAOYSA-N 302.399 2.648 0 50 DFAA CCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1C)CC2 91319867 BOEIDDJYAVZLEU-UHFFFAOYSA-N 314.429 2.860 0 50 DFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 91877243 DVXCQIJSKMSHGW-ZDUSSCGKSA-N 318.446 2.996 0 50 DFAA Cc1nc(NC(=O)C(C)(C)c2ccc(Cl)cc2F)nn1C 293708111 NZUSIBABBHWUSI-UHFFFAOYSA-N 310.760 2.832 0 50 DFAA O=C(Nc1nc2c(s1)COCC2)C1(C(F)(F)F)CCC1 294654725 RLMXUXKWMYWZKL-UHFFFAOYSA-N 306.309 2.887 0 50 DFAA O=C(CCc1cncc(F)c1)N1CCN(C2CCCCC2)CC1 181944582 WVHSANWHXMMCHA-UHFFFAOYSA-N 319.424 2.630 0 50 DFAA CC[C@H](C(=O)NCC1(COc2ccccc2)CC1)n1cccn1 534649864 FSSIXVMCMLXKCJ-MRXNPFEDSA-N 313.401 2.810 0 50 DFAA COc1ccc([C@@H](C)NC(=O)N2CCC3(CCO3)CC2)cc1F 374542938 IHJXGMBVDTUDMH-GFCCVEGCSA-N 322.380 2.860 0 50 DFAA CC[C@@H](C)c1ccc(NC(=O)NCc2nnc(N)s2)cc1 299770450 VRJWFPHTRZKQBJ-SECBINFHSA-N 305.407 2.956 0 50 DFAA CC1(C)C[C@H](CN2CCOc3ccc(CO)cc3C2)CCO1 670442319 KNGGQCKLXYIAAK-OAHLLOKOSA-N 305.418 2.579 0 50 DFAA CCCCNc1ccccc1C(=O)N1C[C@@H](CO)C[C@@H](C)C1 408521621 YXKHXEWIJLUATJ-CABCVRRESA-N 304.434 2.989 0 50 DFAA CC(C)c1cccc2c1CCN(C(=O)N[C@@H](C)C[S@](C)=O)C2 191417520 KEXXGDAEJQAZLW-XMHCIUCPSA-N 322.474 2.645 0 50 DFAA O=C(NCCOC1CCCCC1)N1CCO[C@H](c2ccco2)C1 674705148 PPZJRXYQGJCAEF-INIZCTEOSA-N 322.405 2.712 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2c(Cl)c(C)nn2C)c(C)c1 585129495 LPDFVSQEYVKKFR-UHFFFAOYSA-N 313.810 2.800 0 50 DFAA COc1ccc(CNC(=O)/C=C/c2cc(CO)cs2)cc1F 1506419241 ZUEOETFUBIBQBF-HWKANZROSA-N 321.373 2.718 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3cc(F)cc(Cl)c3)C[C@@H]2O)on1 1529125719 ZDXXEFDLYNISSZ-WBMJQRKESA-N 324.783 2.811 0 50 DFAA CN(Cc1ccc(F)cc1Cl)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704312356 JFJPEKCMQASXRE-MBNYWOFBSA-N 310.800 2.826 0 50 DFAA Oc1cc(C2CCN(Cc3cccc4nonc34)CC2)ccn1 1772807349 NKADYUWWEOVGIO-UHFFFAOYSA-N 310.357 2.703 0 50 DFAA CC(=O)NCCNC(=O)C[C@@H](c1ccccc1)c1ccccc1C 12711813 SIMRZKFFGREMPF-IBGZPJMESA-N 324.424 2.769 0 50 DFAA Cc1cc2c(cc1C)[n+](C[C@@H](O)COC1CCCCC1)cn2C 15746250 YHOWSNWCXKXTOT-MRXNPFEDSA-N 317.453 2.793 0 50 DFAA COc1cccc(SCC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 155846887 ZNXMCNQPSZGEON-NSHDSACASA-N 319.430 2.566 0 50 DFAA Cc1cc(CNS(=O)(=O)CC23CCC(CC2)CC3)ccn1 333049580 GIIMRQMDLJATML-UHFFFAOYSA-N 308.447 2.780 0 50 DFAA COCC1(NC(=O)c2ccc(C(=O)O)cc2F)CCCCC1 668296234 ITJFNJQWRAJUQS-UHFFFAOYSA-N 309.337 2.603 0 50 DFAA CO[C@@H](C(=O)N1CCC[C@@H]1c1cn(C)nc1C)c1ccccc1 364715462 YBZCGNCZXCCCRN-IAGOWNOFSA-N 313.401 2.780 0 50 DFAA CC(C)OC[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 372186545 MOGYDHQIQKAZIE-INIZCTEOSA-N 314.385 2.501 0 50 DFAA Cn1ncc(NC(=O)N[C@@H]2CCOC23CCCC3)c1C(F)F 930573581 WERITQIYUCIRHW-SNVBAGLBSA-N 314.336 2.581 0 50 DFAA Cc1ccccc1Cc1noc(CN2Cc3c[nH]nc3[C@H](C)C2)n1 931458236 GLOLIISTIRTBCE-CYBMUJFWSA-N 323.400 2.811 0 50 DFAA c1ccc2c(-c3noc([C@H]4CCc5nn[nH]c5C4)n3)coc2c1 952893349 IRZRZDQXZBQXSE-VIFPVBQESA-N 307.313 2.873 0 50 DFAA Cc1cc(O)nc(N(C)Cc2nc(C(F)(F)F)cs2)n1 952993456 XXLSIIOSBCTZQN-UHFFFAOYSA-N 304.297 2.602 0 50 DFAA Cc1ccc(-n2nc(C)cc2NC(=O)C2CCNCC2)c(C)c1 1875263285 XUUWUTRBPPRORI-UHFFFAOYSA-N 312.417 2.736 0 50 DFAA CN(C)[C@]1(C)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 1875288226 STJNPBCGTQKIGL-LJQANCHMSA-N 323.444 2.558 0 50 DFAA Cn1ccc(COc2ccc(-c3ccc4nccn4n3)cc2)n1 1875341127 HIFRVRYLBOCWDO-UHFFFAOYSA-N 305.341 2.709 0 50 DFAA c1ncc(CCc2nc([C@@H]3CC[C@@H]4COCC[C@@H]4C3)no2)cn1 1875308103 YTNXKOJKTWGYMR-RBSFLKMASA-N 314.389 2.565 0 50 DFAA Cc1ccccc1CN(C)C(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 886089080 VNEMWEGFHKXZMD-HZPDHXFCSA-N 313.401 2.844 0 50 DFAA CC(=O)Nc1ccc(NC(=O)CSc2nnc(C)s2)cc1 96156 CGDZDGGZKKJIGA-UHFFFAOYSA-N 322.415 2.536 0 50 DFAA C[C@@H](NC(=O)c1cncc2c(Cl)cccc12)[C@@H]1CCN(C)C1 2325802318 ZBJYOWICIFCBSF-VXGBXAGGSA-N 317.820 2.958 0 50 DFAA c1ccc(-c2n[nH]c(=NC[C@@H]3Cc4ccccc4CN3)s2)cc1 2325856686 ZLAASYOHSBDKIF-INIZCTEOSA-N 322.437 2.753 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1C 229227 RKGLIKBMZZAXSU-SNVBAGLBSA-N 303.811 2.912 0 50 DFAA Cc1ccc(C[n+]2c3n(c4ccccc42)C[C@@H](O)CS3)cc1 240937 KWBZEGQBSOOSNY-OAHLLOKOSA-N 311.430 2.752 0 50 DFAA O=C1C[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3 1461177 LVYYMTGZPIPTFW-SNVBAGLBSA-N 311.293 2.618 0 50 DFAA OCCN[C@H]1CCCc2c1[nH]c1ccc(Br)cc21 1837445 KMLNANRKCDKNGU-ZDUSSCGKSA-N 309.207 2.890 0 50 DFAA biogenic O=C(Cn1c(=O)n(C[C@@H]2CS2)c2ccccc21)c1ccccc1 4190517 SMJDCXRTXPYFHB-CQSZACIVSA-N 324.405 2.801 0 50 DFAA Cc1csc2ncc(C(=O)NC3CCCCCC3)c(=O)n12 6452295 DUAMQIDAAZMNSQ-UHFFFAOYSA-N 305.403 2.517 0 50 DFAA CC(C)(C)N1C[C@@H](C(=O)N2CCCc3ccccc32)CC1=O 6730335 BSNDYOLWQBTKRW-AWEZNQCLSA-N 300.402 2.613 0 50 DFAA C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2NC1=O 8942164 UGBOTALORWMAJI-SECBINFHSA-N 300.289 2.797 0 50 DFAA O=C1O[C@H](C(=O)Nc2nccs2)Cc2ccc(Cl)cc21 9668250 RTBNGVVCQMTPOW-JTQLQIEISA-N 308.746 2.517 0 50 DFAA CC[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1ncccc1C 55199858 VSJXKJGHVQZMHT-OAHLLOKOSA-N 317.433 2.796 0 50 DFAA Cc1nc2onc(-c3ccc(Br)s3)c2c(=O)[nH]1 101090344 WETPZETVDUXLCT-UHFFFAOYSA-N 312.148 2.711 0 50 DFAA O=C(N[C@@H]1CCCOc2ccccc21)[C@@H]1CCCc2[nH]ncc21 134217002 PLRPWOKCZNHFQA-IUODEOHRSA-N 311.385 2.860 0 50 DFAA CCOc1ccnc(N(C)Cc2cc(-c3ccncc3)no2)n1 65370353 OMWDARGYZBHXRT-UHFFFAOYSA-N 311.345 2.562 0 50 DFAA O=C(O)c1cc(Br)c(Br)cc1C(=O)O 20357711 ZIRYHOLKTROMQO-UHFFFAOYSA-N 323.924 2.608 0 50 DFAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1onc2ccccc12 67788740 JVGDLYVBNLDLGT-HNNXBMFYSA-N 321.380 2.614 0 50 DFAA O=C(O)[C@H](c1ccsc1)N1CCO[C@H](Cc2ccccc2)C1 328599486 SJRVAICLYCUNCQ-CVEARBPZSA-N 317.410 2.817 0 50 DFAA CC(C)c1cc(C2CCN(C(=O)C(=O)c3ccco3)CC2)[nH]n1 67820798 DAHOWEAQMNJDGV-UHFFFAOYSA-N 315.373 2.715 0 50 DFAA COc1cccc(C(=O)c2c(N(C)C)[nH]c(=O)c3ccccc23)c1 170621314 LTHWAPRYCCOXDG-UHFFFAOYSA-N 322.364 2.834 0 50 DFAA O=c1ccc(-c2ccccc2)nn1CCn1ccnc1C1CC1 71745438 HUPZHHKXRAXUSY-UHFFFAOYSA-N 306.369 2.684 0 50 DFAA N[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 237905738 XHAHMMKEJRASNQ-UONOGXRCSA-N 302.422 2.528 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)/C=C(/c1ccccc1)C(F)(F)F 238075905 FSYMXZNLMQTBBJ-UCQJPZFISA-N 313.275 2.708 0 50 DFAA Cc1c([C@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)cnn1C 367234048 JDEVGYLTNONLQL-QGZVFWFLSA-N 323.396 2.868 0 50 DFAA CC(C)(C)c1cc(C(=O)NCCc2ccc(C(=O)O)cc2)no1 262438221 NKARHOIGESCANH-UHFFFAOYSA-N 316.357 2.643 0 50 DFAA O=C(Cn1ccnc1)N1CCCC[C@H]1CCc1cccc(O)c1 77342916 OEVDWVNZULEBPN-INIZCTEOSA-N 313.401 2.603 0 50 DFAA C[C@@H]1C[C@H]1c1ccc(CN[C@@H](C(N)=O)c2ccc(F)cc2)o1 237462457 HIJLVULDDBZXKJ-QSGSBWRWSA-N 302.349 2.858 0 50 DFAA OCCCNc1nc(Nc2ccccc2O)nc2ccccc12 41150159 MDTFVAYJTPYTEJ-UHFFFAOYSA-N 310.357 2.873 0 50 DFAA Cc1ccc([C@H](C)N(C)C(=O)NCc2cc(C)nn2C)cc1 284312291 VCRDMWPGCXHWJA-AWEZNQCLSA-N 300.406 2.940 0 50 DFAA CN(C)CC[C@@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1 426412819 VOTSAANFMSLNGP-CYBMUJFWSA-N 322.359 2.701 0 50 DFAA CCc1nc2ccccc2n1CCC(=O)N[C@H](CO)CC(C)C 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CC(C)Oc1cccc(NC(=O)NCCc2csc(N)n2)c1 299770305 RHVMELFBZVZMRG-UHFFFAOYSA-N 320.418 2.877 0 50 DFAA CN1CCC(Oc2ccc(NC(=O)C3CCOCC3)cc2)CC1 823765153 YVQKVQXTEHRJKJ-UHFFFAOYSA-N 318.417 2.525 0 50 DFAA Cc1ccc([C@H](NC(=O)c2[nH]nnc2C)c2cccnc2)cc1C 670452353 UMWJZXIYUZHFNM-KRWDZBQOSA-N 321.384 2.644 0 50 DFAA Cc1cc(Cl)cc2c(=O)n(C[C@@H]3CCCCN3C)cnc12 584885220 KDOFYLZPQMOONR-ZDUSSCGKSA-N 305.809 2.843 0 50 DFAA C[C@H](NCCCn1cccn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952990942 NHJFOUGTVZZIHR-IDZDRKKHSA-N 303.450 2.583 0 50 DFAA CC(C)c1cc(N2CCOC[C@@H]2C[C@H](C)O)nc(C(C)C)n1 302193968 NKDALLLAPPCPID-KBPBESRZSA-N 307.438 2.700 0 50 DFAA CC(C)C[C@@H](CO)N(C)C(=O)Nc1ncn(C2CCCCC2)n1 185460700 UFSVCXGFOULMBO-AWEZNQCLSA-N 323.441 2.654 0 50 DFAA O=C(N[C@H]1CCCOCC1)N[C@@H](C1CCCC1)C(F)(F)F 185514278 QGVQNHYPUWETIB-RYUDHWBXSA-N 308.344 2.976 0 50 DFAA CCOC[C@@H]1CCN(C(=O)c2ccc3oc(S)nc3c2)C1 408517245 DFIZKDMXTIGNNJ-SNVBAGLBSA-N 306.387 2.615 0 50 DFAA Cc1cc(F)c(C(=O)N[C@@H](CO)Cc2ccccc2C)cc1F 170088285 UNCOTKNWSKJRHE-CQSZACIVSA-N 319.351 2.915 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)c1cc2ccccc2s1 189603670 BFVRZRRLVUIEOA-PWSUYJOCSA-N 302.399 2.699 0 50 DFAA CSCc1cccc(CNC(=O)NCC2CCOCC2)c1 189956763 ISJCNZUKIKDYOW-UHFFFAOYSA-N 308.447 2.775 0 50 DFAA COC[C@]1(C(N)=O)CCCN1Cc1c(Cl)oc2ccccc12 643764220 RGLAPWQDFJDKRB-INIZCTEOSA-N 322.792 2.553 0 50 DFAA CN(C[C@@H]1CCOC1)c1nc(-c2cc(F)cc(F)c2)ns1 645184510 VBVNEQSAISZWKL-VIFPVBQESA-N 311.357 2.956 0 50 DFAA CO[C@@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)CC[C@@H]1C 192620741 XATAUXGIZAWDON-QPUJVOFHSA-N 301.745 2.682 0 50 DFAA Cc1cc(F)cc(NC(=O)[C@H]2COCCN2C2CCCC2)c1 193608091 HZDBASHCTSIDFM-MRXNPFEDSA-N 306.381 2.716 0 50 DFAA CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCCO2 195413026 LLBSODNQEXOZBH-HNNXBMFYSA-N 316.401 2.597 0 50 DFAA Cc1cc(C(=O)CN2C[C@H](C)C(=O)Nc3ccccc32)c(C)[nH]1 679135201 RYNVNGXCVNEPRO-NSHDSACASA-N 311.385 2.909 0 50 DFAA Cc1c(C(=O)N2CCOCC[C@@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 775598392 UUZOPNKRHLLOBS-NSHDSACASA-N 318.417 2.729 0 50 DFAA CSCC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 14981731 BUDZHIQECIAJKE-LLVKDONJSA-N 300.374 2.731 0 50 DFAA O=C(NCCc1ccncc1)c1ccc(Br)cc1 16576616 YUIOBFKPFFJILV-UHFFFAOYSA-N 305.175 2.817 0 50 DFAA COc1cc(Cl)cc(CN2CCN(CC3CC3)CC2)c1OC 19221838 WNVIIWKJWXTSSN-UHFFFAOYSA-N 324.852 2.885 0 50 DFAA CC(=O)N[C@H]1CN(C(=O)c2cc(C)c(C)cc2C)C[C@@H]1C(C)C 212579071 VPWRFVJYJAMDBD-MSOLQXFVSA-N 316.445 2.845 0 50 DFAA NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)C1 241135399 JOZUEJGXGBBYFH-FHLIZLRMSA-N 322.408 2.667 0 50 DFAA COc1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)ccc1F 248034817 RJJHVKQEZRVROG-SWHYSGLUSA-N 321.348 2.692 0 50 DFAA Cc1nc(Cn2cc(C[C@@](C)(O)c3cccs3)nn2)cs1 849142080 PHZJCKZXQAVGKH-CQSZACIVSA-N 320.443 2.603 0 50 DFAA O=C(O)[C@H](CNCc1ccc(Cl)cc1F)C1CCOCC1 863747885 YQTVILNSQBKMCZ-CYBMUJFWSA-N 315.772 2.696 0 50 DFAA COC(=O)[C@@H](C)ONC(=O)CSc1ccc2ccccc2c1 1875298991 VHLLRHPKZDBZPI-LLVKDONJSA-N 319.382 2.541 0 50 DFAA C[C@H](Cc1cccs1)C(=O)NC[C@H](CCO)c1ccncc1 1875321058 SLCBHDUGGVQVKQ-HIFRSBDPSA-N 318.442 2.604 0 50 DFAA C=CC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccncc2)no1 1875383829 FPOBBGPUNWIGTI-HNNXBMFYSA-N 320.352 2.718 0 50 DFAA O=C(N[C@@H](CC(F)F)c1ccccc1)c1cn2c(n1)COCC2 888092967 SGNIBULEGSICSM-LBPRGKRZSA-N 321.327 2.540 0 50 DFAA O=C(Nc1nc(C2CC2)ns1)N1C[C@@H]2C[C@@]2(C(F)(F)F)C1 1776007366 MXBDNCNRLYLIMY-WRWORJQWSA-N 318.324 2.832 0 50 DFAA Cn1ccnc1[C@H]1CC[C@](C(=O)O)(n2cnc3ccccc32)C1 1776004422 RQPFWNOOJUIYRR-SJCJKPOMSA-N 310.357 2.517 0 50 DFAA CN(CCC[C@H]1CCCO1)C(=O)c1ccc2ccn(C)c2n1 2100477098 FMJUOWOIJKQJML-AWEZNQCLSA-N 301.390 2.605 0 50 DFAA O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1coc2c(F)cccc12 2325774796 UKFRBHAMHGWJEE-SNVBAGLBSA-N 317.316 2.740 0 50 DFAA N[C@@H](C(=O)NC[C@]1(C(F)(F)F)CC2CCC1CC2)C1CC1 2325779289 VKYPRRSTAJEQPU-TTZBHZLDSA-N 304.356 2.599 0 50 DFAA CCn1nc(C)cc1CN1C[C@H](C(=O)O)[C@@H](C2CCCCC2)C1 2325798285 FVZFDVMBUSPFPW-SJORKVTESA-N 319.449 2.924 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2cnc3cccnc3c2)cc1 2325861285 LFERPFAWMYFTAV-CYBMUJFWSA-N 319.364 2.642 0 50 DFAA CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 73959 MWILADYIHWAIPF-UHFFFAOYSA-N 323.374 2.522 0 50 DFAA C[C@@H]1CN(C(=O)C2CCCC2)[C@H](C)CN1C(=O)C1CCCC1 371562 FUDDKSPYCQVJHU-ZIAGYGMSSA-N 306.450 2.815 0 50 DFAA Cc1ccn(C(=O)COc2ccc(Br)cc2C)n1 578911 AXCVTZYKQJPAGB-UHFFFAOYSA-N 309.163 2.982 0 50 DFAA Cc1cc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc(C)c1Cl 614090 COHLZOQRXJFCBF-CHWSQXEVSA-N 311.809 2.971 0 50 DFAA O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccccc1Cl 1462057 SWJIKSUFWGEOBV-MRVPVSSYSA-N 302.972 2.758 0 50 DFAA COC(=O)CC(=O)c1ccc(OCCOc2ccccc2)cc1 2165734 PHNVOERBVCCQRP-UHFFFAOYSA-N 314.337 2.890 0 50 DFAA Cc1ccc(-c2nnc3n2[C@@H](C)C(=O)N(Cc2ccccc2)C3)o1 2356140392 HDCMFMVVHOFRCJ-ZDUSSCGKSA-N 322.368 2.950 0 50 DFAA Cn1c(/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O 3900192 QBUBLGRYOXSNRR-VQHVLOKHSA-N 306.321 2.833 0 50 DFAA Cc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1C 4993424 XRNDLBRMWMJMOY-UHFFFAOYSA-N 323.352 2.759 0 50 DFAA CC(C)n1cc(NC(=O)c2csc(-c3ncccn3)n2)cn1 66387282 CMLLEDXBYJBXFY-UHFFFAOYSA-N 314.374 2.630 0 50 DFAA COc1ccc(-c2ccccc2O[C@H](C)C(N)=O)c(OC)c1 67843134 IDFPEHXJQJPVRL-LLVKDONJSA-N 301.342 2.623 0 50 DFAA CCOC(=O)CCNC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 35511438 SFDNTGJWWHFSTA-ZDUSSCGKSA-N 323.393 2.598 0 50 DFAA COC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 1402220 YKTAPYIIWKHERA-UHFFFAOYSA-N 315.350 2.665 0 50 DFAA c1cnn(CC[C@H]2CCCCN2Cc2nnc(C3CC3)o2)c1 77436662 TYQJMEAZWSECDJ-CQSZACIVSA-N 301.394 2.588 0 50 DFAA CC(C)c1noc(-c2cn(Cc3c(F)cccc3F)nn2)n1 72161412 KAHLCPHYDSBYBT-UHFFFAOYSA-N 305.288 2.778 0 50 DFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)no1 328632122 RPKYDGIBHRTFGY-NSHDSACASA-N 305.403 2.940 0 50 DFAA CC(C)(C)c1nc(=Nc2cccc(N3CCC3=O)c2)s[nH]1 333341775 SYTROIAZJSEJHU-UHFFFAOYSA-N 302.403 2.738 0 50 DFAA O=C(Nc1cc(C(F)(F)F)ccn1)N1CC2(CCOCC2)C1 333304680 CMNZGJQWPUHNKP-UHFFFAOYSA-N 315.295 2.745 0 50 DFAA CN(CC(=O)O)C(=O)CCCCc1nc2ccccc2s1 237135431 PREOKPTYEVGCCC-UHFFFAOYSA-N 306.387 2.552 0 50 DFAA C[C@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2O)[C@H](c2ccccc2)CO1 280937780 LBDSWLROWFDJQO-RANZSIQMSA-N 317.429 2.916 0 50 DFAA C[C@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 334120031 KMWIIPNVMVARNW-LXZKKBNFSA-N 315.417 2.590 0 50 DFAA C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 242106150 WHHXWAWABRPFOC-QCLAVDOMSA-N 314.480 2.542 0 50 DFAA Cc1ccncc1CNC(=O)N1Cc2ccccc2O[C@H](C)C1 455448143 WNRCVKQAXFXCTR-CQSZACIVSA-N 311.385 2.883 0 50 DFAA CSCc1ccc(C(=O)N[C@H](C)c2cn3ncsc3n2)o1 223494388 PZUQUIFYRRBOFE-MRVPVSSYSA-N 322.415 2.738 0 50 DFAA CC[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 263575110 OLDADZXUFCYWRL-STQMWFEESA-N 317.307 2.942 0 50 DFAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CC=C(C(C)(C)C)CC1 284644556 CJEJAZUINFCJND-HUUCEWRRSA-N 317.433 2.703 0 50 DFAA Cn1ccc2ccc(C(=O)N[C@H](C(=O)O)c3ccccc3)cc21 95513228 CCDJYZFIODXEQQ-INIZCTEOSA-N 308.337 2.734 0 50 DFAA CCN1CC2(CCC1=O)CCN(Cc1ccncc1C)CC2 91486536 PIWIPMBQAMHGHL-UHFFFAOYSA-N 301.434 2.615 0 50 DFAA Cc1nn(CCNC(=O)c2cc(CC(C)C)no2)c(C)c1Cl 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N[C@H]1CC[C@H](NC(=O)c2ccccc2OC(F)(F)C(F)F)C1 216662475 OGMXUIDKORNPIB-IUCAKERBSA-N 320.286 2.533 0 50 DFAA COCCN(Cc1nc(Cc2cccc(F)c2)no1)C(C)C 12570797 FDLIQJTVYAODRQ-UHFFFAOYSA-N 307.369 2.656 0 50 DFAA CCOC(=O)CNC(=O)N1CCCCC[C@H]1c1cccs1 15867086 URXJMGQVWIQFBA-LBPRGKRZSA-N 310.419 2.938 0 50 DFAA OCC[C@@H]1CN(C2CCCC2)CCN1Cc1ccc(F)cc1 19761085 ZFLIAIWBRLGAGA-GOSISDBHSA-N 306.425 2.637 0 50 DFAA CN1CCN(CCOCCOc2ccc(C(C)(C)C)cc2)CC1 19792563 KFMIMVJEGMOSRG-UHFFFAOYSA-N 320.477 2.627 0 50 DFAA COc1ccc(C=C(C)CN2CCC[C@@H](CNC(C)=O)C2)cc1 1857528183 GHITVWGILXOKTR-SFHVURJKSA-N 316.445 2.947 0 50 DFAA O=C(c1ccccc1OC[C@H]1CC2CCN1CC2)N1CCCC1 1857681275 GHUGGVAVGGYBBW-MRXNPFEDSA-N 314.429 2.786 0 50 DFAA CCC[C@@]1(CO)CN(CCCCc2ccccc2)CC[C@@H]1O 1857734945 ZOZIJNSCJQJAFQ-OALUTQOASA-N 305.462 2.855 0 50 DFAA CCC[C@]1(CO)CCN(Cc2nc(C(C)C)cs2)C[C@@H]1O 1875248132 YURUOTHAOQFYBE-GOEBONIOSA-N 312.479 2.612 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2csc(=N)[nH]2)C[C@H](C(C)C)O1 1875249207 KYOYQUMWXNPCTD-DGCLKSJQSA-N 311.451 2.611 0 50 DFAA CSc1ncccc1NC(=O)c1nnc(O)c2ccccc12 1875249354 XDAHDVATLRMNOE-UHFFFAOYSA-N 312.354 2.705 0 50 DFAA CNCC(=O)N[C@H](c1cccc(OC)c1)c1ccccc1Cl 225473504 QGJKXCIADMQPEN-QGZVFWFLSA-N 318.804 2.774 0 50 DFAA Cc1ccc([C@@H](Cc2ccccc2)NCc2nnn(C)n2)cc1C 225622591 TUVFXZSNKPSRRP-GOSISDBHSA-N 321.428 2.901 0 50 DFAA O=C(O)c1csc(CNC(=O)c2cc3cccc(F)c3o2)n1 124339852 DUPAUAOYEUYBDK-UHFFFAOYSA-N 320.301 2.657 0 50 DFAA C[C@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)[C@@H](c2ccco2)C1 237704276 GWGVTLOVGACITE-SMDDNHRTSA-N 314.341 2.986 0 50 DFAA C[C@H](NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1)C1CCOCC1 253371001 ZHXIMJSTYMFTMV-YJLNNSPDSA-N 316.445 2.611 0 50 DFAA CCCS(=O)(=O)Nc1ccc(N=S2(=O)CCCC2)cc1 585129629 PXGRCTQOURKUSL-UHFFFAOYSA-N 316.448 2.732 0 50 DFAA O=C(O)[C@]12C[C@H]1CCCN2Cc1coc(-c2cccc(F)c2)n1 903936471 MDHXCJJIWFHCNW-PXAZEXFGSA-N 316.332 2.920 0 50 DFAA CCn1nc(C)c([C@@H](C)N[C@H]2C[C@H](Oc3ccccc3)C2)n1 926699364 UTXODRLXIUIUDQ-XNRPHZJLSA-N 300.406 2.867 0 50 DFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1cnc(C2CC2)o1 850317507 CBKPOFHRZBTDTH-DZGCQCFKSA-N 316.405 2.543 0 50 DFAA CC(C)(C)c1cc(=O)n(C[C@H](O)c2cc(F)ccc2F)cn1 952846961 PKGKEDKVWMZSKQ-ZDUSSCGKSA-N 308.328 2.553 0 50 DFAA CCc1nc2n(n1)CCC[C@@H]2n1c(C)cc(C(=O)O)c1C1CC1 1875269461 XWYMSJNCYPNYAG-ZDUSSCGKSA-N 314.389 2.909 0 50 DFAA CC[C@H](NC(=O)[C@H]1CC(C2CCOCC2)=NO1)c1ccccc1 1875301467 KKPLSNFCTJZPKO-DOTOQJQBSA-N 316.401 2.825 0 50 DFAA O=C(Nc1ccnnc1)N1CCC2(C=Cc3ccccc3O2)CC1 888102415 XALOHPBFNFOBET-UHFFFAOYSA-N 322.368 2.949 0 50 DFAA COC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCOC2(CCC2)C1 889329591 BSRDESDRYIISFJ-DLBZAZTESA-N 317.429 2.710 0 50 DFAA O=S(=O)(CCCCF)Nc1ccc(Cl)c2cn[nH]c12 1775992891 OUKOLZMNAQKQDV-UHFFFAOYSA-N 305.762 2.708 0 50 DFAA CCCCCCOc1cccc(N[C@@H]2C[C@H](O)[C@H](O)CO2)c1 4035934 IMFNPJKXFSYJIC-BBWFWOEESA-N 309.406 2.526 0 50 DFAA CCn1cc(NC(=O)N[C@H](C)c2ccccc2-n2ccnc2)cn1 2325700767 PFTLOHVGTRMJHM-CYBMUJFWSA-N 324.388 2.971 0 50 DFAA NC1(CCc2nc(-c3nccc4ccccc34)no2)CCOCC1 2325771000 JXWOGPYFIREXRQ-UHFFFAOYSA-N 324.384 2.725 0 50 DFAA COc1ccn2ncc(C(=O)Nc3ccc([C@@H](C)N)cc3)c2c1 2325858346 JSHBAIXSJOHZAP-LLVKDONJSA-N 310.357 2.615 0 50 DFAA Cc1cc(Br)oc1C(=O)N1CCCC[C@@H]1[C@H](C)N 121969726 MBMFGNLGDMHGSE-VHSXEESVSA-N 315.211 2.692 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CC(=O)O[C@]23CCOC(C)(C)C3)cc1 202653 LPIHGSMSHGSVKF-KDOFPFPSSA-N 317.385 2.824 0 50 DFAA biogenic CCC(=O)Oc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 470533 CKNKTPYANBNXET-UHFFFAOYSA-N 313.309 2.953 0 50 DFAA O=C(NCc1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 1055569 SRHDIEONAZHZIV-KRWDZBQOSA-N 324.380 2.734 0 50 DFAA Cc1n[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 6697204 DTWDQDHGGKHLTL-UHFFFAOYSA-N 316.308 2.863 0 50 DFAA CN1CCN(c2ccc(C(=O)O)s2)[C@@H](c2ccccc2)C1 227351961 OMYLQPFRSFRGAV-CYBMUJFWSA-N 302.399 2.939 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1 104236220 QAAVVBPODSJDGL-BZUAXINKSA-N 305.418 2.833 0 50 DFAA Cc1nc(C(=O)NCc2cccc(CN3CCCC3)c2)cs1 66313342 ZUBIZUHPYRPZAN-UHFFFAOYSA-N 315.442 2.977 0 50 DFAA CC(C)n1c(S)nnc1CCNC(=O)Nc1ccccc1F 118751752 UGFUPPDULOQHSL-UHFFFAOYSA-N 323.397 2.651 0 50 DFAA C[C@@H]1CC[C@]2(CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)C2)C1 328623103 IWCNQGANZWBFIH-VUNQQRPYSA-N 317.433 2.536 0 50 DFAA Cc1ccoc1C(=O)N(Cc1scnc1C)C[C@H]1CCNC1 328649873 VHSOQPGTMPLIDJ-ZDUSSCGKSA-N 319.430 2.605 0 50 DFAA CCn1cncc1-c1c(-c2ccccc2)ncn1CCNC(C)=O 65408633 QAMMQSNAFXVDRQ-UHFFFAOYSA-N 323.400 2.570 0 50 DFAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC(c2nnc3ccccn23)CC1 329189928 PWHDSHUCSWPEHU-BPUTZDHNSA-N 322.412 2.648 0 50 DFAA Cc1nc([C@@H]2CCCN(Cc3sccc3C)C2)cc(=O)[nH]1 63855506 XIFMYSQUPGFIFX-CYBMUJFWSA-N 303.431 2.828 0 50 DFAA CC(=O)Nc1ccc(-n2ncc3cccnc32)c2cccnc12 67695819 ZYNDABGAFUWIDY-UHFFFAOYSA-N 303.325 2.927 0 50 DFAA COc1ncccc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 439988268 ISPRKNVQKZJPNA-UHFFFAOYSA-N 312.281 2.787 0 50 DFAA CCOc1ccccc1CCC(=O)N1CCC[C@@H]([C@H](C)N)C1 236906395 SVROPWWJPHAQET-GOEBONIOSA-N 304.434 2.604 0 50 DFAA Nc1nc2c(s1)[C@H](c1ccccc1Br)CC(=O)N2 32090956 IMMNULREJITFPY-ZETCQYMHSA-N 324.203 2.962 0 50 DFAA Cc1ccc(SCCCNC(=O)[C@@H]2CCCN(C)C2)cc1 71375863 ZRGJNVBLOCNKCR-OAHLLOKOSA-N 306.475 2.935 0 50 DFAA COc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1 130188604 AUXNIEZVENYNNG-UHFFFAOYSA-N 311.429 2.798 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 240756944 HVPSEXFQKMPUBI-YXCITZCRSA-N 308.447 2.792 0 50 DFAA CC(C)(C)C[C@@H]1CCCN1c1cc(N2CCC[C@H]2CO)ncn1 241287108 LJZFRGQUAIJVHY-GJZGRUSLSA-N 318.465 2.843 0 50 DFAA O=C(NCCc1nc(C2CCCCC2)cs1)c1ccnnc1 151665634 KDSNLUFBNFEIMD-UHFFFAOYSA-N 316.430 2.953 0 50 DFAA CN1CCC(Oc2ccc(NC(=O)c3ccsc3)cn2)CC1 152986879 AIICHVVWXOAJRN-UHFFFAOYSA-N 317.414 2.868 0 50 DFAA O=C(O)COc1ccccc1CN1CCC[C@@H]1c1nccs1 216248102 BCDJKILMRSIPFD-CYBMUJFWSA-N 318.398 2.944 0 50 DFAA COc1ccccc1N1CCC(NC(=O)c2cncs2)CC1 363100611 IYLJSPSHZDTQRO-UHFFFAOYSA-N 317.414 2.551 0 50 DFAA Cc1nc2c(C(=O)N3Cc4ccccc4OC[C@@H]3C)ccnc2[nH]1 369065742 PSPMZZCVVWGLAU-NSHDSACASA-N 322.368 2.690 0 50 DFAA CSc1ccccc1C(=O)N1CC(n2nc(C)cc2C)C1 219211677 NLGKJJGXJGBTHH-UHFFFAOYSA-N 301.415 2.919 0 50 DFAA C[C@H](CNC(=O)N1C[C@@H]2CCCC[C@H]2C1)CC1(C)OCCO1 246707761 SEHSTROEKNKJSJ-KKUMJFAQSA-N 310.438 2.607 0 50 DFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cccs1 219141678 IOICBGOLEKRNKF-HUUCEWRRSA-N 317.410 2.852 0 50 DFAA Cc1csc(NC(=O)c2csc(NC[C@@H]3CCCO3)n2)n1 44918460 LUQRIUWIEWPMKC-VIFPVBQESA-N 324.431 2.751 0 50 DFAA Cc1ccccc1C1CCN(C(=O)CNCC(F)(F)F)CC1 264928031 ROJTUKYKFCJXCD-UHFFFAOYSA-N 314.351 2.853 0 50 DFAA Cc1nc2ccccc2n1CC(=O)Nc1nn(C)c2ccccc12 48435926 QCGRWIBMTQJRRZ-UHFFFAOYSA-N 319.368 2.870 0 50 DFAA CC(C)c1ccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 20614608 CMGMKTTXKUHYPL-LLVKDONJSA-N 315.373 2.733 0 50 DFAA COc1ccnc(Cn2c(C)cc(=O)c3ccccc32)c1OC 95361184 YOOUIJFUOMEVBN-UHFFFAOYSA-N 310.353 2.770 0 50 DFAA CCCCOC(=O)N1CCC(c2nccn2CCN(C)C)CC1 91663071 RBYKTQWENAXDDJ-UHFFFAOYSA-N 322.453 2.561 0 50 DFAA CCCc1ccc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)cc1 91645463 DWHRRDLQCKCXGJ-IBGZPJMESA-N 314.429 2.724 0 50 DFAA Cc1cncc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 181841317 VLLJCLMPCIJSKS-GFCCVEGCSA-N 322.405 2.783 0 50 DFAA CC(C)c1ccccc1NC(=O)CCN1CCC[C@H](CO)C1 244626629 FPLLACWIGWKBAZ-HNNXBMFYSA-N 304.434 2.843 0 50 DFAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)Cc2ccccn2)C1 244893028 YTYLGQXVIKXNAQ-QGZVFWFLSA-N 323.440 2.538 0 50 DFAA Clc1ccccc1[C@H](CNc1cnccn1)N1CCOCC1 298464482 ZNCNYXXFZBSRBR-HNNXBMFYSA-N 318.808 2.615 0 50 DFAA C[C@]12CC[C@H](O)[C@@H]1[C@@H]1CC[C@H]3C[C@H](O)CC[C@@]3(C)[C@@H]1C(=O)C2 257345972 NUENQQRLXHPLFI-CFUQPUIVSA-N 306.446 2.930 0 50 DFAA O=C(O)CN1Cc2ccccc2O[C@H](c2ccccc2F)C1 299777812 FOXBDIFASPJKFO-INIZCTEOSA-N 301.317 2.846 0 50 DFAA CSCCCNC(=O)c1cccc(-c2cccnc2O)c1 299787158 RZHFUFMWRBBLHE-UHFFFAOYSA-N 302.399 2.937 0 50 DFAA Cc1ccccc1CC1(NC(=O)c2sc(N)nc2C)CC1 299771439 XAMKIVRPYMDZEL-UHFFFAOYSA-N 301.415 2.847 0 50 DFAA CCc1nccn1CCC(=O)N[C@@H](c1ncccc1C)C1CC1 299755736 CQFHIZPKUXRZHL-GOSISDBHSA-N 312.417 2.807 0 50 DFAA COC(=O)N[C@@H](C)c1nc(C(C)C)nn1-c1cccc(F)c1 824156258 ZWRYWQZOJDKUNY-JTQLQIEISA-N 306.341 2.947 0 50 DFAA CCn1ccc(CN(C)C[C@H]2CCN(Cc3ccccc3)C2)n1 823587904 PWZDZTIRJXVMLH-GOSISDBHSA-N 312.461 2.857 0 50 DFAA CC(C)N1CCCN([C@H]2CCN(c3ccc(F)cc3)C2)CC1 670473711 DNWOAHSCGIRSAY-SFHVURJKSA-N 305.441 2.821 0 50 DFAA O=C(c1ccc(Cl)o1)N1CCc2[nH]nc(C(F)(F)F)c2C1 1875252039 SDHAPWCYEIFAOL-UHFFFAOYSA-N 319.670 2.873 0 50 DFAA Cc1ccc(CN2CC[C@@H](N[C@H](C)CCCN(C)C)C2)cc1 1875366896 VFPVWKGQLYTNIA-IEBWSBKVSA-N 303.494 2.889 0 50 DFAA O=C1CCCN1[C@@H]1CCC[C@H](N=c2c(F)c[nH]cc2Cl)C1 1875392788 UOMFRQNMVOQGQE-WDEREUQCSA-N 311.788 2.642 0 50 DFAA c1nc(C2CC2)oc1CNC1(c2nnc3n2CCCC3)CCC1 888100604 REBHCQCUFWHOJM-UHFFFAOYSA-N 313.405 2.649 0 50 DFAA O=C(c1conc1C(F)(F)F)N1CCOCC2(CCCC2)C1 1362389228 AWDDKEXQUYNYOU-UHFFFAOYSA-N 318.295 2.726 0 50 DFAA O=C(N[C@@H](CC1CC1)C(=O)O)c1ccc(C2CCOCC2)cc1 630157584 LGBQXVFBYCLMKL-INIZCTEOSA-N 317.385 2.564 0 50 DFAA Cn1cc([C@H]2CSCCN2c2nc3ccccc3o2)cn1 408522591 BTELPDIWFVHRSS-CYBMUJFWSA-N 300.387 2.856 0 50 DFAA O=C([C@H]1CCc2[nH]nnc2C1)N1CCCCC[C@H]1c1ccco1 282982833 HCOMMQUFXSGNAF-WFASDCNBSA-N 314.389 2.647 0 50 DFAA CCC1=C(C(=O)Nc2ccc3c(c2)NC(=O)CC3)CCCO1 188080766 QVZMWGOLIAOKLG-UHFFFAOYSA-N 300.358 2.984 0 50 DFAA COc1cccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)n1 191315932 OSBBPZMVRWAXLG-CYBMUJFWSA-N 318.808 2.507 0 50 DFAA CC(=O)Nc1ccccc1CNc1nncn1-c1ccccc1 191581092 KNIBECPSLLFFAH-UHFFFAOYSA-N 307.357 2.838 0 50 DFAA Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@H]1C[C@H]1C(=O)O 647740407 RVEGZKGWMYKWQM-HUUCEWRRSA-N 310.353 2.640 0 50 DFAA CCn1ncc2ccc(NC(=O)C3CCC(C(=O)O)CC3)cc21 194403436 FCIUQRYFTCZVSI-UHFFFAOYSA-N 315.373 2.886 0 50 DFAA Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C(=O)O)C(C)(C)C 663107145 CEGLLWPAPJCWNG-CQSZACIVSA-N 306.406 2.742 0 50 DFAA Cc1cc([C@H](C)NCc2cccc(Cn3cccn3)c2)n(C)n1 793524099 RXCJHZKBSDTYJJ-HNNXBMFYSA-N 309.417 2.824 0 50 DFAA COc1cccc(NC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1 1704344915 QKUNKCMILQJKQA-NVXWUHKLSA-N 304.390 2.854 0 50 DFAA O=C(Cc1ccc(Cl)s1)NC1CCC(C(=O)O)CC1 263182476 ROAOJLWRZQLWBV-UHFFFAOYSA-N 301.795 2.704 0 50 DFAA Nc1cc([C@@H](O)c2ccc(Cl)cc2)ccc1N1CCOCC1 16650524 IPMNVEMTQJYOFH-KRWDZBQOSA-N 318.804 2.841 0 50 DFAA Cc1ccc(C(C)C)cc1OCCOCCN1CCOCC1 19973759 CXFSKSHJFFABCR-UHFFFAOYSA-N 307.434 2.846 0 50 DFAA CCn1c(=O)c(NCc2ccc(CO)cc2)nc2ccccc21 1651977670 CAXQRCBAXXRSKO-UHFFFAOYSA-N 309.369 2.521 0 50 DFAA CCC[C@]1(CO)CCN(c2nc3ccccc3s2)C[C@@H]1O 1875244755 SOKGRBNIKFGUIP-GOEBONIOSA-N 306.431 2.646 0 50 DFAA CCOc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100274873 RXPRTPLKUKKLMV-GVARAGBVSA-N 301.342 2.547 0 50 DFAA Cc1cccnc1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 426125696 BUFCJPSJPPHQJI-UHFFFAOYSA-N 318.380 2.774 0 50 DFAA CSCc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)ccc1F 128510399 NFZDKYSDOGPBDX-LLVKDONJSA-N 311.378 2.626 0 50 DFAA O=C(O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 238175084 XCWSOAHVHMIKCY-VHSXEESVSA-N 302.157 2.688 0 50 DFAA CC(C)C[C@]1(CO)CCCN1Cc1ccn(CC(F)(F)F)n1 450835231 NMDZVONQNPRSIS-AWEZNQCLSA-N 319.371 2.818 0 50 DFAA Cc1n[nH]cc1C1CCN(C(=O)c2cc(F)cc(F)c2O)CC1 935879383 JZYLJXOXMOWPEH-UHFFFAOYSA-N 321.327 2.722 0 50 DFAA O=C([C@H]1CCCc2n[nH]cc21)N1CCC(Cl)=C(Cl)C1 2325749077 AVPQURFNALUPKJ-QMMMGPOBSA-N 300.189 2.751 0 50 DFAA O=C1CCc2cc(OC(=O)C3(c4cccnc4)CCC3)ccc2N1 2325790806 MKFZZIABUPRTJL-UHFFFAOYSA-N 322.364 2.994 0 50 DFAA CN(C)Cc1ccc(-c2noc([C@@H]3CCc4cncn4C3)n2)cc1 863951435 UPTSLRNCZZBMFL-OAHLLOKOSA-N 323.400 2.725 0 50 DFAA Cc1cc(N2CC(c3n[nH]c(C)n3)C2)nc(-c2cccs2)n1 895328022 JTLVWYCZDKFHMF-UHFFFAOYSA-N 312.402 2.544 0 50 DFAA O=C1C[C@@H]([C@@H]2CCCO2)C(=O)N1c1cccc(C(F)(F)F)c1 243586 LMGMILKVWAMLBG-RYUDHWBXSA-N 313.275 2.764 0 50 DFAA O=C(NC1CCCCC1)N1CCN(c2ccc(F)cc2)CC1 319206 AGBVZGSSHOSWTI-UHFFFAOYSA-N 305.397 2.990 0 50 DFAA CC(=O)Nc1cccc(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)c1 460298 HKEUABYAEWKEAO-OAHLLOKOSA-N 322.364 2.767 0 50 DFAA c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4 1709414 XYHOBCMEDLZUMP-UHFFFAOYSA-N 320.324 2.808 0 50 DFAA biogenic,in-vitro Cc1cscc1-c1cnc2c(N3CCC(O)CC3)nccn12 2356137628 SLOJKCCJHBWZCP-UHFFFAOYSA-N 314.414 2.727 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cc(C)ccn2)c(C)c1C 4913560 RPABTQNYRFSXLN-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)nc(CC)c2)C1 317548465 SVOSRNXYRNJFEZ-LLVKDONJSA-N 324.808 2.713 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 248123810 FNDQOXKDSZMDCS-USXIJHARSA-N 311.385 2.771 0 50 DFAA CNC(=O)[C@H]1CCCCN1Cc1ccccc1OC(F)(F)F 179338407 WZYOJDDEOIKSFS-GFCCVEGCSA-N 316.323 2.686 0 50 DFAA COc1ccccc1[C@@H]1CCCN1c1cc(CCN)nc(C)n1 67690907 HWXFGPOPSUJDCA-INIZCTEOSA-N 312.417 2.636 0 50 DFAA CSCC(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 20778324 CHVAWFPVTMHOKK-UHFFFAOYSA-N 324.352 2.868 0 50 DFAA CCCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc2c1OCO2 5596568 AHNIOCOSNYMFCF-SWLSCSKDSA-N 319.357 2.580 0 50 DFAA CCCSc1ncc(CN2CCC[C@@]3(CCNC3)C2)cn1 67934039 PJEGYXQYWFBKNI-INIZCTEOSA-N 306.479 2.554 0 50 DFAA COc1ccc(-c2ncc(-c3nccn3CCN(C)C)cn2)cc1 67757495 XHRVVAKKMKSTSO-UHFFFAOYSA-N 323.400 2.577 0 50 DFAA CCc1noc(C)c1CN1CCOC[C@H]1CC(=O)c1ccco1 120935908 OHBMXEZMTBNTKW-CYBMUJFWSA-N 318.373 2.612 0 50 DFAA CC(=O)c1cccc(-n2c(SCC(=O)O)nnc2C2CC2)c1 67834128 PDLUKLHJOURBMB-UHFFFAOYSA-N 317.370 2.524 0 50 DFAA CCN(Cc1ccncc1)c1cc(C2CCNCC2)nc(C)n1 67895665 OMXQYGVGAPGSMG-UHFFFAOYSA-N 311.433 2.674 0 50 DFAA O=c1c2ccccc2nc(S)n1[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 124122938 HVQGCHSMDJJGAI-BNOWGMLFSA-N 314.410 2.815 0 50 DFAA C[C@@]12CCCN1C(=O)N(C1CCN(C3CCCCC3)CC1)C2=O 241338599 MCFBYPKVGKXOBT-SFHVURJKSA-N 319.449 2.600 0 50 DFAA Cc1ccc(Cl)c(C(=O)N[C@H](C(=O)O)c2c(C)n[nH]c2C)c1 67490985 TUOHWVSDORFUCC-ZDUSSCGKSA-N 321.764 2.544 0 50 DFAA FC(F)(F)c1cc([C@H]2CCCN(Cc3cnns3)C2)[nH]n1 331851845 QSMRWYABTSODSP-QMMMGPOBSA-N 317.340 2.660 0 50 DFAA CCCc1ncc(C(=O)N2CCCC[C@@H]2CCC(=O)O)s1 236939513 IAUIAQFRIAXGIZ-LLVKDONJSA-N 310.419 2.955 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CC[C@@H](N)C[C@@H]2C)c1 237585845 OYCSUMAZIYQOEQ-JKSUJKDBSA-N 304.434 2.882 0 50 DFAA CSCCN1CCN(Cc2cccc([C@H](C)N(C)C)c2)CC1 216124354 YAWQMCJEBREGLC-INIZCTEOSA-N 321.534 2.790 0 50 DFAA Cc1noc(C)c1C(=O)NCCOc1cccc2cccnc12 219463465 RJZQFYQHHCPPBW-UHFFFAOYSA-N 311.341 2.648 0 50 DFAA CC(C)COC[C@H](C)NC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 252677549 ZCDPAOAQBAPTMV-GBJTYRQASA-N 312.454 2.550 0 50 DFAA Cc1cc(C)cc([C@H](O)CNC(=O)NC[C@@H]2CCCS2)c1 253393353 YXZRCQIDNFWZDW-LSDHHAIUSA-N 308.447 2.532 0 50 DFAA CC[C@H](c1nn2c(Cc3ccccc3)nnc2s1)n1cccn1 71749294 BILUJHMELDLWTB-CYBMUJFWSA-N 324.413 2.973 0 50 DFAA CNc1ccc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cn1 285590364 JFLQYOMXWBEDQB-SNVBAGLBSA-N 301.321 2.690 0 50 DFAA COc1ccc2nc(N3CCOC4(CCOCC4)C3)ccc2c1 133589185 LSVDTJFIGJLIOJ-UHFFFAOYSA-N 314.385 2.629 0 50 DFAA C[C@@H](NC(=O)C1(c2ccccc2)CCCCC1)c1ncnn1C 219451945 YOORGEIGSNNDRH-CQSZACIVSA-N 312.417 2.894 0 50 DFAA Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@@H]3C)c12 72419030 HFLOZLJBECKNCU-NSHDSACASA-N 308.389 2.722 0 50 DFAA C=CC(=O)Nc1cc(NC(=O)CC[C@@H]2CCOC2)ccc1F 136567853 AZZWWAQDEVAXLC-LLVKDONJSA-N 306.337 2.705 0 50 DFAA Nc1ncnc(N2CC[C@H](n3ncc4ccccc43)C2)c1Cl 375426292 MMJUURGHFYIJSW-NSHDSACASA-N 314.780 2.513 0 50 DFAA CC(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 377830969 ISOOHDQVHFNDCR-CQSZACIVSA-N 315.348 2.992 0 50 DFAA CC(C)(O)[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 221313413 NRLDWGWEWKIRPT-LBPRGKRZSA-N 315.335 2.867 0 50 DFAA CC(C)(C)c1ncc(NC(=O)NC2CCC(C(=O)O)CC2)cn1 263491049 OUYSOPRGNDWFBW-UHFFFAOYSA-N 320.393 2.539 0 50 DFAA CN(CCO)C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1 426563021 DTTOQQHSUSHLCF-UHFFFAOYSA-N 324.302 2.832 0 50 DFAA Cc1occc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 223705283 MKLOMOFVCYNLLK-HNNXBMFYSA-N 300.358 2.804 0 50 DFAA COC(=O)[C@]1(F)CCN([C@@H](C)Cc2nc3ccccc3s2)C1 229934155 RYPFOSUGWIYPOI-ZBEGNZNMSA-N 322.405 2.814 0 50 DFAA CCCn1cnc2cc(NC(=O)NC[C@@H]3CCOC3)ccc21 426438546 GXCSMMYWSPIZHD-LBPRGKRZSA-N 302.378 2.604 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]1(O)C1CCC1 91321815 UYMOCWSHJGGHFH-YJYMSZOUSA-N 315.413 2.635 0 50 DFAA COc1ccccc1CCC(=O)N1C[C@@H](C)[C@](O)(C2CCC2)C1 91780753 WJDUFJUXJKSDFX-KUHUBIRLSA-N 317.429 2.637 0 50 DFAA Cc1ccc(-c2ccc(C(=O)N3CCNC(=O)C3(C)C)s2)o1 180966048 VYIXXXCGZDHBQO-UHFFFAOYSA-N 318.398 2.667 0 50 DFAA Cn1ccnc1CN(Cc1ccccc1Cn1cccn1)C1CC1 97402483 OCEHTEFNQRRKAW-UHFFFAOYSA-N 321.428 2.830 0 50 DFAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1Cc2ccccc2C1 95526136 UVRKCZRZGSXPLJ-SFHVURJKSA-N 320.392 2.545 0 50 DFAA Cc1ccc(Cl)c(NC(=O)N[C@H](C(=O)N(C)C)C(C)C)c1 96148075 NWXIQDFPGWVNLD-ZDUSSCGKSA-N 311.813 2.883 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cccc3nonc23)C[C@H]1c1ccccc1 91411282 JLLCXOSSWVZERN-LSDHHAIUSA-N 323.352 2.523 0 50 DFAA CC[C@H](C(=O)NCCc1nc2c(s1)CCCC2)n1cccn1 91593736 HJPXQJHXDBKXTF-CYBMUJFWSA-N 318.446 2.528 0 50 DFAA CCCSCCNC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91756487 CIYKZYRCJXCVMF-UHFFFAOYSA-N 305.403 2.655 0 50 DFAA Cn1nc(CN2CCCC[C@H]2C(=O)O)c2c(Cl)cccc21 244734481 NGGTWXNASZWDRV-ZDUSSCGKSA-N 307.781 2.666 0 50 DFAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 244795915 RPRJRPXZEKRCRG-ZACQAIPSSA-N 315.413 2.659 0 50 DFAA CCn1ccc(CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)n1 252483645 FGJBDZLFTLDGLJ-ZDUSSCGKSA-N 301.390 2.867 0 50 DFAA CSc1ncc(C(=O)O)c(-c2ccc(-c3cc[nH]n3)cc2)n1 534632924 LCGDBJVIRWQHGT-UHFFFAOYSA-N 312.354 2.954 0 50 DFAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCCCC1=O 827801562 UJKRWXVODCGBSU-UHFFFAOYSA-N 318.461 2.722 0 50 DFAA CCc1nc(CNC(=O)c2cc3c(cc2C)OCCO3)cs1 670453948 JUPYZTVDGGQWSW-UHFFFAOYSA-N 318.398 2.715 0 50 DFAA Cc1occc1C(=O)NC[C@@H](c1cccnc1)N1CCCCC1 670446664 BQHNWNZHBYWKPA-KRWDZBQOSA-N 313.401 2.940 0 50 DFAA O=C(COc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2OCC[C@@H]12 1565531252 JQGPIVJQHQTIKP-TVYUQYBPSA-N 316.184 2.666 0 50 DFAA O=c1c2[nH]c3ccccc3c2cnn1Cc1cn2ccccc2n1 1875258306 YYFOWYMDTHHRMI-UHFFFAOYSA-N 315.336 2.574 0 50 DFAA c1cc2n[nH]cc2cc1Cc1noc(Cc2cc(C3CC3)no2)n1 1875285822 ATLCPLVFPDYXOD-UHFFFAOYSA-N 321.340 2.993 0 50 DFAA COc1ccc2c(c1)CC[C@H]1[C@@H]2OCCN1C(=O)N(C)C1CC1 1875326868 PQJCCEBFFKOPOJ-DLBZAZTESA-N 316.401 2.598 0 50 DFAA O=C(C[C@H]1CCC12CCC2)NS(=O)(=O)Cc1ccsc1 1875318178 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CC(=O)Nc1cc(C(=O)Nc2ccc3nccn3c2)ccc1F 603881866 XWDNSSKTQQXBPR-UHFFFAOYSA-N 312.304 2.684 0 50 DFAA CN(C)C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 707847328 HFBLYSOFWCWLRW-TVFCKZIOSA-N 313.445 2.510 0 50 DFAA CO[C@@H]1CC[C@@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1 191346876 ORNYJDKSECKMSS-ZIAGYGMSSA-N 315.417 2.886 0 50 DFAA Cc1[nH]ncc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 194543396 XYGIGGPJJSNNGR-UHFFFAOYSA-N 313.279 2.589 0 50 DFAA CC(C)N(CC1CCC1)C(=O)c1ccc(S(C)(=O)=O)cc1 195128729 VFSNNLBAELHRTA-UHFFFAOYSA-N 309.431 2.741 0 50 DFAA CC(C)c1noc(CCNC(=O)N2CCC3(CCC3)CC2)n1 585082830 QSRAXAXERHDPSY-UHFFFAOYSA-N 306.410 2.711 0 50 DFAA O=C(CC1CCN(CC(F)(F)F)CC1)NCCc1ccco1 585121835 BMQMZUXYABFXPA-UHFFFAOYSA-N 318.339 2.603 0 50 DFAA C[C@@H](NC(=O)C1CC(C(=O)O)C1)c1ccc2c(c1)CCCC2 682698410 MVZCEQZXMSKTTO-VHWKEVPUSA-N 301.386 2.853 0 50 DFAA OC1(CN[C@@H]2CCc3cccnc3CC2)CCC(F)(F)CC1 1616043840 FJAJUPIHDWGAQE-CQSZACIVSA-N 310.388 2.859 0 50 DFAA Cc1ccc2c(C(=O)N(C)CCC[C@@H]3CCCO3)cnn2c1 1772709665 PAUAOGCKKMXEJI-CQSZACIVSA-N 301.390 2.674 0 50 DFAA CC(C)c1nnc(CN2CCC(Cc3ccc(O)nc3)CC2)o1 1772811202 RAYLMUZKTSCISX-UHFFFAOYSA-N 316.405 2.748 0 50 DFAA CCOc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1 5051513 ICIUJIQTJVKETA-UHFFFAOYSA-N 312.369 2.649 0 50 DFAA CSCC[C@@H](CO)NC(=O)c1oc2ccc(C)cc2c1C 11661402 SGCKJVXFSOQHTI-LBPRGKRZSA-N 307.415 2.893 0 50 DFAA CCCCN(C)C(=O)c1nc2ccccn2c1CNC1CCC1 12445987 PPAVDIXJQINVHU-UHFFFAOYSA-N 314.433 2.849 0 50 DFAA Cc1ccoc1C(=O)N1CCO[C@H](Cc2ccc(F)cc2)C1 12580953 DXSLKYZTQLJGCK-OAHLLOKOSA-N 303.333 2.811 0 50 DFAA O=C1CCCc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3)cc21 13363435 MRHLWYHUEMBKQC-UHFFFAOYSA-N 316.744 2.800 0 50 DFAA CCc1csc(CNC(=O)c2ccc(N3CCCC3)nc2)n1 19218549 TVRRQKQEILFLNC-UHFFFAOYSA-N 316.430 2.631 0 50 DFAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1cc[nH]c1)CC2 1857697341 QHCOQGIOJOPALU-UHFFFAOYSA-N 320.396 2.656 0 50 DFAA COc1cccc(-c2nccn2CCc2cnn(C)c2)c1OC 1857710937 BWDDXAJJUBMPPG-UHFFFAOYSA-N 312.373 2.544 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)n1 329121701 WHOGIFALXUDXIW-AWEZNQCLSA-N 300.362 2.569 0 50 DFAA O=C(O)CCCOc1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)cc1 238012151 BFQQKMUNZITAQA-HOTGVXAUSA-N 317.385 2.593 0 50 DFAA O=C(Nc1ccncc1)[C@H](c1ccccc1)N1CCCCC1=O 263982898 QTWBGPDFTBDKHV-KRWDZBQOSA-N 309.369 2.774 0 50 DFAA Cc1cc(Cl)ccc1OCCCNC(=O)/C=C/CN(C)C 265681712 WBFSDFXUKYXXFQ-GQCTYLIASA-N 310.825 2.651 0 50 DFAA Cc1cc(O)c(COC(=O)CCc2cnc3ccccc3c2)nn1 802172678 PFBNNEIJEGMDIK-UHFFFAOYSA-N 323.352 2.715 0 50 DFAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2cccnc2)cc1 818024415 NHZLLALMPACWJT-RTBURBONSA-N 312.413 2.962 0 50 DFAA O=C(c1cc(F)cc2ccoc12)N1CCC[C@H](n2cncn2)C1 931992456 REXMOXNSRVYZHO-ZDUSSCGKSA-N 314.320 2.641 0 50 DFAA Cc1cnc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1C 935849589 KUCACYGFTSGXBR-FQEVSTJZSA-N 324.424 2.865 0 50 DFAA O[C@@]12CCN(c3nc(-c4ccncc4)nc4ccccc34)C[C@@H]1C2 853859583 UCKOSDPXTABEBO-IFXJQAMLSA-N 318.380 2.653 0 50 DFAA CCC1=NN(C(=O)c2ccccc2OC)[C@@](O)(C(F)(F)F)C1 66602 AHFYJIDNPPHILH-ZDUSSCGKSA-N 316.279 2.558 0 50 DFAA COc1ccc2ncc(CNc3ccc(CN)c(F)c3)n2c1 2325858996 JQOFVRMRNZBVEU-UHFFFAOYSA-N 300.337 2.553 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 44674 JCIBIKRGXPVAFY-HNNXBMFYSA-N 322.364 2.881 0 50 DFAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCCCC1 181506 FHAAFOYHSZXTLS-UHFFFAOYSA-N 309.719 2.876 0 50 DFAA CCOC(=O)C1CCN(Cc2ccc(Br)o2)CC1 207548 LFQOFYICNUPJEY-UHFFFAOYSA-N 316.195 2.817 0 50 DFAA COc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 270148 PEJWFRRHZJLUHK-UHFFFAOYSA-N 323.370 2.513 0 50 DFAA CCOC(=O)c1cc2nc(C)n(CC)c2cc1C(=O)OCC 281264 NJCPZDUTLKLKNV-UHFFFAOYSA-N 304.346 2.718 0 50 DFAA COc1cc(Br)c2cc(C(=O)O)[nH]c2c1OC 4234969 DLVLAURJBRQWOV-UHFFFAOYSA-N 300.108 2.646 0 50 DFAA Cn1c(SCC(=O)c2ccccn2)nnc1-c1ccccc1 6668172 NVBLSMRJHNDOBB-UHFFFAOYSA-N 310.382 2.852 0 50 DFAA CCS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@@H]2CO)cc1 225520947 FWEDBOFSXIIGHK-CJNGLKHVSA-N 311.447 2.833 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)N(CCO)Cc1cccs1 67714590 XJARUVDGUTZQRY-UHFFFAOYSA-N 314.410 2.793 0 50 DFAA O=C(O)c1ccc(-c2ncccc2C(=O)N2CCCC2)s1 67642356 AVWBFHFFKHTWNZ-UHFFFAOYSA-N 302.355 2.744 0 50 DFAA Cc1noc(C)c1CCCNC(=O)c1ccc(NC2CC2)nc1 20999550 QSISOFBCDIUCRE-UHFFFAOYSA-N 314.389 2.623 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H]1Cn1cccn1 69918872 UPEZSFSJMJGWRI-HNNXBMFYSA-N 322.368 2.843 0 50 DFAA CCn1nc(C)c([C@H](C)Nc2ncc(C)c(N(C)C)n2)c1C 65535864 YISMYIXJDCYVFE-NSHDSACASA-N 302.426 2.857 0 50 DFAA O=C(NCCCOC1CCCC1)Nc1cccc2nonc12 252507989 WZHZGXDJFCWBME-UHFFFAOYSA-N 304.350 2.694 0 50 DFAA Cc1noc(N)c1C(=O)Nc1ccc(OC(F)(F)Cl)cc1 99706 ICLGWOPNBMRGMN-UHFFFAOYSA-N 317.679 2.985 0 50 DFAA Brc1ccc2ncnc(NC[C@@H]3CCCO3)c2c1 4195026 JGMLHIFGTOQNMN-JTQLQIEISA-N 308.179 2.983 0 50 DFAA COC(=O)c1cncnc1/C=C/c1cncc(Br)c1 253432780 NZXCQGXFVZNOKM-NSCUHMNNSA-N 320.146 2.591 0 50 DFAA O=C(Nc1cccc(O)c1)[C@H]1CC(c2ccccc2F)=NO1 6738401 QUWZGTYAKVGRNU-OAHLLOKOSA-N 300.289 2.663 0 50 DFAA COc1ccccc1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 216216633 JARZCOMARKHBKL-OAHLLOKOSA-N 311.385 2.884 0 50 DFAA CN(c1ccccc1)c1ccc(CNC2(CC(N)=O)CCC2)cn1 437141984 MDDGTGCAJJXZFL-UHFFFAOYSA-N 324.428 2.737 0 50 DFAA CCc1ccccc1NC(=O)N1CCN(Cc2cccnc2)CC1 13325081 HIWKTVIVLMRFEB-UHFFFAOYSA-N 324.428 2.994 0 50 DFAA CCc1occc1C(=O)N[C@@H](C(=O)O)c1ccc(F)c(C)c1 262951917 HIONYUVOLNYLOA-CQSZACIVSA-N 305.305 2.845 0 50 DFAA COC[C@@H]1CCCN1Cc1ccc(OC)c(Cn2cccn2)c1 216138879 YEIGKIWRELWMPP-KRWDZBQOSA-N 315.417 2.551 0 50 DFAA Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(-n2ccnc2)nc1 130512934 SXQPWUDGSXSWLG-MRXNPFEDSA-N 322.416 2.944 0 50 DFAA C[C@H](c1nc(C2CC2)no1)N1CCO[C@@H](c2nccs2)C1 222213750 TXSNFKIFIDJUEW-MWLCHTKSSA-N 306.391 2.538 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 237951213 TYARPOXTBRLERC-NSHDSACASA-N 311.328 2.611 0 50 DFAA Cc1nc(CCN2CCN(c3nc(C)c(C)s3)CC2)cs1 132251706 YHGOAZPZSBZEKA-UHFFFAOYSA-N 322.503 2.890 0 50 DFAA CCOC(=O)COc1c(Cl)cc(Cl)cc1C(=O)OC 44199869 XFCQPWMGCVZYQX-UHFFFAOYSA-N 307.129 2.722 0 50 DFAA Clc1cnc(N[C@@H]2COCC[C@@H]2OCc2ccccc2)nc1 223355986 YCNYZLBGWDOIBE-CABCVRRESA-N 319.792 2.916 0 50 DFAA COC[C@@H](NC(=O)c1cnoc1-c1ccccc1)c1ccccn1 426424177 BNCKVKBJFIYCAW-MRXNPFEDSA-N 323.352 2.854 0 50 DFAA CCn1ccnc1[C@@H](Nc1nccc(C)n1)C1CCOCC1 284631097 SUBFRWRDIDSBMN-AWEZNQCLSA-N 301.394 2.581 0 50 DFAA CN(CC(=O)O)[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)CC1 263536781 ZRPMFEFHIKZMOS-NKEDHYFDSA-N 320.408 2.710 0 50 DFAA CO[C@@H](CNC(=O)CCC1CCN(C)CC1)c1cccs1 426495618 MXBLASBSLOIZRF-AWEZNQCLSA-N 310.463 2.674 0 50 DFAA Cc1cc(O)ccc1C(=O)NC[C@H]1CCN(C2CCCC2)C1 222676540 LPORPJVUMPXYID-CQSZACIVSA-N 302.418 2.695 0 50 DFAA O=C(O)CCCC(=O)N(Cc1cccnc1)Cc1ccsc1 426647924 NAFLYQLXVJEPSQ-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA CCn1cc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cn1 91416623 MFEROBMEHPWHLR-AZUAARDMSA-N 324.472 2.999 0 50 DFAA Cc1cccc2c(-c3ccc(N4CCN(C)CC4)nn3)c[nH]c12 97574989 NCYLQKWPGXUUDU-UHFFFAOYSA-N 307.401 2.685 0 50 DFAA O=C1C[C@@]2(CCN(Cc3nccn3C3CC3)C2)Oc2ccccc21 244707986 KLIHOPJZDJNIER-LJQANCHMSA-N 323.396 2.828 0 50 DFAA C[C@H](c1ccc(-c2cnc3cc(C(=O)O)nn3c2)cc1)N(C)C 534581227 JJZLHFOAXHVQBX-LLVKDONJSA-N 310.357 2.717 0 50 DFAA COCC(=O)Nc1ccc(NC(=O)c2cccn2C2CC2)cc1 824312926 FWZBEWGEOHBGRW-UHFFFAOYSA-N 313.357 2.660 0 50 DFAA O=C(NCc1nncn1C1CCCCC1)c1ccncc1Cl 828193958 QMLJMGDVDZXLRP-UHFFFAOYSA-N 319.796 2.762 0 50 DFAA O=C(NCC[C@@H]1CCCCN1C1CCCC1)[C@H]1CC[C@H](O)CC1 584890272 HVEVYDKHFATFDK-SZMVWBNQSA-N 322.493 2.841 0 50 DFAA Cc1csc(CN(C)C(=O)Cc2cnc3c(C)cccn23)n1 584889879 GODWBQCTURPYQY-UHFFFAOYSA-N 314.414 2.609 0 50 DFAA CC(C)(C)n1nc(CC(N)=O)nc1CCCCc1ccccc1 670444345 GGNNRWBOJNKVKH-UHFFFAOYSA-N 314.433 2.626 0 50 DFAA CC[C@H]1[C@H](NC(=O)CCc2ccc(C)c(OC)c2)[C@H]2CCO[C@@H]12 1565506841 UAODRGSMJPJQLJ-QXGSTGNESA-N 317.429 2.866 0 50 DFAA Cc1cccc(C2(C(=O)N3CCC[C@@H](c4n[nH]c(C)n4)C3)CC2)c1 268431179 IPBTYJUHQDARQV-OAHLLOKOSA-N 324.428 2.859 0 50 DFAA COCCNc1ccccc1NC(=O)c1cc(Cl)cn1C 191214137 SHMZYDURTGEJKS-UHFFFAOYSA-N 307.781 2.989 0 50 DFAA CCc1nc(CSCC2CCN(C(=O)C(C)(C)C)CC2)n[nH]1 193719198 FDHYYXDMXGNIEF-UHFFFAOYSA-N 324.494 2.885 0 50 DFAA CC(C)O[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 650324081 GNKLAYHJDORKGX-CQSZACIVSA-N 301.390 2.603 0 50 DFAA Cc1ccc(NS(=O)(=O)Cc2c(F)cccc2F)c(C)n1 194606294 RSYHZHFKWFQCKD-UHFFFAOYSA-N 312.341 2.919 0 50 DFAA CN(C)c1cccc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)c1 653328181 FRCOYSVIGQBECI-DLBZAZTESA-N 324.380 2.796 0 50 DFAA c1ccc(COCC2(c3noc(C4CCC4)n3)COC2)cc1 585120385 KJYWTGGPMHDLEY-UHFFFAOYSA-N 300.358 2.822 0 50 DFAA O=C(Nc1ccc(C2CC2)cn1)[C@H]1CC(=O)N(C2CCCC2)C1 1615618004 MPNGAYCHXLODMD-AWEZNQCLSA-N 313.401 2.689 0 50 DFAA OCCn1cnc2cc(-n3ccnc3-c3ccc(O)cc3)ccc21 1772804844 FTAGNKVDPFRZQW-UHFFFAOYSA-N 320.352 2.587 0 50 DFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@H]1C1(O)CC1 1772814423 YGUGBSFXZAKKEF-AWEZNQCLSA-N 303.406 2.587 0 50 DFAA C[C@H](CN1CCC(=O)N(Cc2ccccn2)CC1)c1ccccc1 12161346 YTLJPOMQJYFUKG-QGZVFWFLSA-N 323.440 2.920 0 50 DFAA Cc1ccc2oc(C(=O)Nc3cccc(-n4cnnn4)c3)cc2c1 12274834 OFHINMLBQNRVBG-UHFFFAOYSA-N 319.324 2.969 0 50 DFAA Cc1ccc(N2CCN(CC(=O)NC3CCCC3)C[C@H]2C)cc1 13321075 AQCMBKIZSDPFPS-MRXNPFEDSA-N 315.461 2.564 0 50 DFAA Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)no1 13331721 NZLDRQWHVFUVKO-UHFFFAOYSA-N 319.792 2.907 0 50 DFAA COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)C(=O)C(C)C 14500124 VLHOVPZUSXEINR-QGZVFWFLSA-N 318.325 2.631 0 50 DFAA biogenic,in-vitro CCC[C@H](C)NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 16624662 XHGSVULFHOVXTN-JTQLQIEISA-N 319.430 2.553 0 50 DFAA O=C(Cc1ccc(F)cc1)Nc1cccc(C(=O)NC2CC2)c1 16966050 KSTYCVVXGRXXAN-UHFFFAOYSA-N 312.344 2.899 0 50 DFAA CC[C@@H]1CN(Cc2c[nH]c(C)n2)Cc2cc(OC)ccc2O1 19939675 VVLDTHBMWKDKPA-OAHLLOKOSA-N 301.390 2.900 0 50 DFAA Cc1ccc(F)c(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c1 1857527302 BROLMCCYMVJOFE-MNOVXSKESA-N 317.364 2.809 0 50 DFAA CN1C[C@H](Cn2ccnc2-c2ccc(Cl)c(F)c2)CC1=O 1857698052 ULBGASDETCTKAL-SNVBAGLBSA-N 307.756 2.821 0 50 DFAA Cc1cccc(CC(=O)N2CC[C@@](C(=O)O)(c3ccccc3)C2)c1 649252988 MNJVXICCVKWNTO-FQEVSTJZSA-N 323.392 2.792 0 50 DFAA COC(=O)c1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)[nH]1 240423777 FQTJMDWBHGTCJC-GFCCVEGCSA-N 300.358 2.677 0 50 DFAA Cc1ccc(OCCC(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1C 156546979 NCYFFLAWUPAQFH-JKSUJKDBSA-N 304.434 2.658 0 50 DFAA CC(C)(O)c1ccc(OCc2nnc([C@@H]3CCCOC3)o2)cc1 818080854 IQNGWXYQSGLUSA-GFCCVEGCSA-N 318.373 2.770 0 50 DFAA O=C(CN1CCC(c2ncco2)CC1)Nc1cc(F)cc(F)c1 931451679 NGMWSFWBNOLDHC-UHFFFAOYSA-N 321.327 2.771 0 50 DFAA CN1CCN(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)CC1 1141348859 VCQMQRUEAKPCAI-UHFFFAOYSA-N 310.397 2.799 0 50 DFAA CC(F)(F)C1CCN(C(=O)C23CCC(C(=O)O)(CC2)C3)CC1 1875292175 ZCINVXIZQBPKDE-UHFFFAOYSA-N 315.360 2.915 0 50 DFAA Cc1ccc(N)c(C(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1 1875279158 VHYDMEPWIUSAHJ-MNOVXSKESA-N 316.323 2.759 0 50 DFAA CO[C@@]1(c2nnc(C3(Oc4ccccc4F)CC3)o2)CCOC1 886085544 JPHBRRRFHMPHPU-INIZCTEOSA-N 320.320 2.539 0 50 DFAA Cc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 886097086 MNGKIWBCDVLDKK-AWEZNQCLSA-N 316.792 2.998 0 50 DFAA O=C(c1ccc(F)c(O)c1F)N1CCCC[C@@H]1c1cc[nH]n1 1775999022 MGWMKGITVGVOGQ-GFCCVEGCSA-N 307.300 2.761 0 50 DFAA COc1ccc(CC(=O)Nc2nnc(C(F)(F)F)s2)cc1 60889 RJVVSCNZTIUVLK-UHFFFAOYSA-N 317.292 2.747 0 50 DFAA Nc1nc(COc2ccccc2Cl)nc(N2CCCCC2)n1 140556 DGRZEMKXKHZEGP-UHFFFAOYSA-N 319.796 2.677 0 50 DFAA Cc1nc(C2CCN(C[C@@H](O)C[C@]3(C)CCCO3)CC2)[nH]c1C 2325778699 KKILJZVIBVJWLR-WMZOPIPTSA-N 321.465 2.526 0 50 DFAA CN(C)[C@H]1CC[C@@H](C(=O)Nc2c[nH]nc2-c2ccccn2)CC1 2325784769 IJEVVOJKMYCQON-BETUJISGSA-N 313.405 2.531 0 50 DFAA CC(C)c1nnc(COc2ccc(N3CCCC3=O)cc2)o1 136635737 AIHICZGMWUKYHH-UHFFFAOYSA-N 301.346 2.899 0 50 DFAA CCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C 193296 MWJXAQQKHTYNRF-UHFFFAOYSA-N 307.375 2.527 0 50 DFAA aggregator CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 313925 OUQJSCNLCGTNKS-UHFFFAOYSA-N 319.382 2.688 0 50 DFAA COc1cccc(C=O)c1OCC(=O)Nc1ccc(F)cc1 453572 WPCOBBRHSCUWQR-UHFFFAOYSA-N 303.289 2.664 0 50 DFAA C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)OCc1ccccc1 1163742 HWIIPQQYPSOHAR-UKRRQHHQSA-N 304.390 2.608 0 50 DFAA CCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1CC 6702588 QJAKPUPUCCXTAB-UHFFFAOYSA-N 320.418 2.600 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)NCc2cccs2)C1 6738342 XTGYESXABWQCNG-HNNXBMFYSA-N 316.382 2.566 0 50 DFAA COCCOc1cccc(NC(=O)Cc2ccc(OC)cc2)c1 10155037 OVNWZQYPZGRMPW-UHFFFAOYSA-N 315.369 2.902 0 50 DFAA C[C@H](c1nc(-c2cccs2)no1)N(C)CCn1cccn1 111282907 WXJSKDXWBIMDRP-LLVKDONJSA-N 303.391 2.688 0 50 DFAA Cc1nsc(NC(=O)N2CCOc3ccc(Cl)cc3C2)n1 55327028 WFPMOJUNDAQOKS-UHFFFAOYSA-N 324.793 2.926 0 50 DFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2cc[nH]n2)c1 55120244 OKNCKTDFXWYTTA-UHFFFAOYSA-N 320.780 2.797 0 50 DFAA CCOC(=O)N1CCC(N[C@H](C)c2cn3ccsc3n2)CC1 65507509 CRHDTYIWEPHJEZ-LLVKDONJSA-N 322.434 2.667 0 50 DFAA O=C(NCc1ccn(C2CCCC2)n1)c1cccnc1S 134957918 HDMIERODLBVIDJ-UHFFFAOYSA-N 302.403 2.612 0 50 DFAA C[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H](C)n1cccn1 248231920 LAKHBYZGBHYYKB-LUKYLMHMSA-N 318.465 2.603 0 50 DFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)NCC(C)(C)c2ccccc2)C1 422592394 SSKOZCBSHMVKLE-KGLIPLIRSA-N 318.417 2.716 0 50 DFAA Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@@H]2C)c1Br 2780788 NGDFTEKEIIGRAK-WPRPVWTQSA-N 314.227 2.800 0 50 DFAA O=C(c1ccnn1CC(F)F)N1CCS[C@@H]2CCCC[C@@H]21 253432022 WBNNAGKUGMRVKZ-CMPLNLGQSA-N 315.389 2.648 0 50 DFAA C[C@@H](Oc1ccccc1)c1noc(-c2ccc3nnc(O)n3c2)n1 356922799 WGDOGLQUUOWNCH-SNVBAGLBSA-N 323.312 2.625 0 50 DFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@]1(C)CCCCO1 72408321 GWSJUEDZHJGLIP-SFHVURJKSA-N 313.401 2.790 0 50 DFAA Cc1ccnn1-c1ccc(C(=O)Nc2cccc(N(C)C)n2)cc1 359555129 OCUJUPJUDPRZAM-UHFFFAOYSA-N 321.384 2.894 0 50 DFAA CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccnc2)c(F)c1 360891661 MWKQWIRYVAJAFM-OAHLLOKOSA-N 320.389 2.966 0 50 DFAA CC(C)CN(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 72463668 WKQWYMFGWOSDCS-UHFFFAOYSA-N 315.417 2.946 0 50 DFAA COc1ccc(CN(C)C[C@H]2CCN(C)C2(C)C)cc1C(=O)O 214987689 HRUKZAWWAHMAEY-CQSZACIVSA-N 320.433 2.556 0 50 DFAA Cc1nccc(NC(=O)c2cccc(-n3ccnc3)n2)c1Cl 124745849 STEYYHCMOBKCHB-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA Cc1nc(CN2CCC[C@@H]2c2nc(-c3ccccn3)no2)co1 77406389 YNHWKWADWMDLAD-CQSZACIVSA-N 311.345 2.765 0 50 DFAA CC(C)c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)on1 70765702 XRPKEZATWWHMRA-UHFFFAOYSA-N 324.384 2.956 0 50 DFAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cccn(C)c1=O 216306959 CHQCDNYQVPASBD-MRXNPFEDSA-N 313.401 2.784 0 50 DFAA Cc1cccc(CCNC(=O)[C@@H]2CCCN2Cc2ccccc2)n1 219589422 YODIPPAXWPTSBO-IBGZPJMESA-N 323.440 2.713 0 50 DFAA CCn1cc(C(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)cn1 15066854 IFYABEDFKLPIEC-QGZVFWFLSA-N 318.465 2.678 0 50 DFAA CN(Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CCCO1 128015656 CVPGLAXLMPSAKY-GFCCVEGCSA-N 307.344 2.966 0 50 DFAA CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@H]2CCc3nncn3C2)C1 333529290 XULQUNLETAIJML-JKSUJKDBSA-N 324.428 2.840 0 50 DFAA COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@@](C)(C(=O)O)C1 237253033 PUUVBOWZFIJQNT-WUTVXBCWSA-N 323.776 2.685 0 50 DFAA COc1cccc(OC)c1C(=O)N[C@@H]1CCc2ccccc2C1 222550344 CPPVVUYKGCLYNX-OAHLLOKOSA-N 311.381 2.991 0 50 DFAA CC(C)N1C[C@@H](C(=O)N2CCC[C@H]3C[C@H](C)CC[C@H]32)CC1=O 241316877 LVQOKUQKOUTODW-FXUDXRNXSA-N 306.450 2.671 0 50 DFAA CCc1cc(N2CCC[C@@H](NC(=O)C3=CCCCC3)C2)ncn1 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C[C@H](CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C1CC1)C(=O)O 299745593 RHAAZFHZZASAFR-YUSALJHKSA-N 323.339 2.780 0 50 DFAA Cc1nc([C@@H](O)c2ccccc2Cl)n(CC(F)(F)F)n1 825290810 LHZVMGPGIIXNNE-JTQLQIEISA-N 305.687 2.884 0 50 DFAA O=C(CCCn1cncn1)N[C@H]1CCCc2c(F)cc(F)cc21 1450366318 VCRKLDDNZMKBRU-HNNXBMFYSA-N 320.343 2.530 0 50 DFAA O=C(C1CCC1)N1CCC(NCCCC[C@H]2CCCO2)CC1 827715308 MZTTVSQCOGJMER-KRWDZBQOSA-N 308.466 2.716 0 50 DFAA Cc1nn(CCC(=O)NCCOc2ccccc2F)c(C)c1C 670438912 RZILFUDMYZLPMM-UHFFFAOYSA-N 319.380 2.533 0 50 DFAA Cc1nc(-c2cccnc2)nc(NCC2(n3cccn3)CC2)c1C 1337283515 CPXRTYWZQURCMB-UHFFFAOYSA-N 320.400 2.953 0 50 DFAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCC(c2nnc3ccccn23)CC1 1565530055 PWHDSHUCSWPEHU-IMJJTQAJSA-N 322.412 2.648 0 50 DFAA CCOC[C@H]1CCN(c2cncc(OCC3CCCC3)n2)C1 185519135 CDTASXGFJIXWMW-HNNXBMFYSA-N 305.422 2.908 0 50 DFAA CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccoc1 271821360 NIHVINARJNUKDX-ABAIWWIYSA-N 306.337 2.994 0 50 DFAA CC1CCC(=CC(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC1 275331145 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JBIMGXKHEUXJQE-PBHICJAKSA-N 314.429 2.574 0 50 DFAA CN(C)Cc1nnc(NCc2cccc(OC(F)(F)F)c2)o1 1772711145 XPBMKWZAEWTUJT-UHFFFAOYSA-N 316.283 2.642 0 50 DFAA CSCc1noc(CNc2nc(C)nc3sccc23)n1 1772703166 CQFBHOZQMUKBCU-UHFFFAOYSA-N 307.404 2.858 0 50 DFAA COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCO)cc1 5347571 QPGZAHWCCYAXQJ-UHFFFAOYSA-N 312.373 2.793 0 50 DFAA CSCCCN1CC[C@H](C2CCN(c3ncccn3)CC2)C1 12072644 JGYNUSMFKQYDFB-INIZCTEOSA-N 320.506 2.768 0 50 DFAA Cc1ccc(OCC(=O)NCCCN2CCCCC2)cc1C 13668343 LTTCHRNQJSVZJV-UHFFFAOYSA-N 304.434 2.674 0 50 DFAA CCCCOc1c(Br)cc(C(N)=O)cc1OC 16527165 GMPUIBIROIYMJM-UHFFFAOYSA-N 302.168 2.736 0 50 DFAA CO[C@@H]1CC[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)C[C@H]1N 1857725759 LNXKFIIZRSGHPK-USXIJHARSA-N 318.461 2.743 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCOc2ccccc2Cl)C1 237410378 ICTYWBOZIQDYKO-CHWSQXEVSA-N 310.825 2.695 0 50 DFAA O=C(c1cccc(OC2CCCC2)c1)N1CC[C@](O)(C2CC2)C1 373253037 CWAWXSBFCRVVQV-LJQANCHMSA-N 315.413 2.995 0 50 DFAA O=C(O)c1ccc(CNc2cc(N3CCCCC3)ncn2)cc1 262166838 UISYDRRSXYYHCH-UHFFFAOYSA-N 312.373 2.777 0 50 DFAA CCc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)NC[C@H]2CCCO2)o1 265467812 OOGYPDORENBHRZ-IMJJTQAJSA-N 320.433 2.663 0 50 DFAA O[C@@H](CN[C@@H]1CCCOc2c(F)cccc21)c1ccc(F)cn1 819214416 QQPMSYSNIUTLTL-ZBFHGGJFSA-N 320.339 2.897 0 50 DFAA C[C@H](C[S@@](C)=O)Nc1ccc(-c2ccccc2Cl)nn1 864091244 AIEMZSPBAKAHHF-CFMSYZGJSA-N 309.822 2.976 0 50 DFAA CN(C)C/C=C/C(=O)N[C@@H](CC1CCCCC1)c1ncccn1 1875377071 RJZXDXPULRBCGN-DHINHOHASA-N 316.449 2.722 0 50 DFAA O=C1CCCCN1c1ccc(OC[C@H]2C[N@]2CC2CC2)cc1 1875381277 PGLIPNDIIQZMTB-APWZRJJASA-N 300.402 2.677 0 50 DFAA O=C(NC(c1ccccc1)c1ccccc1)c1ccc(O)nn1 18247483 ZNCCTMLFHLCTBC-UHFFFAOYSA-N 305.337 2.702 0 50 DFAA COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1OC 19322380 SWLNULCAKOYTBE-UHFFFAOYSA-N 302.418 2.750 0 50 DFAA biogenic FC(F)n1ccnc1CNCc1cccc(-c2cc[nH]n2)c1 2325707469 MHARVOQXOVELOQ-UHFFFAOYSA-N 303.316 2.958 0 50 DFAA Cc1cc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)O)[nH]c1C 2325769422 XAZJTSDLWMLWDG-QGZVFWFLSA-N 318.348 2.586 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCNC4(CC4)C3)cc2)c1C 2325795660 RZNLWZHMYJLZAM-OAHLLOKOSA-N 324.428 2.960 0 50 DFAA OCc1cc(CN2CCC(c3cccc(F)c3F)CC2)no1 2325803662 TXQBVSIPXUCYBJ-UHFFFAOYSA-N 308.328 2.825 0 50 DFAA Cc1cccc(C)c1CCNC(=O)c1cc(C(N)=O)ccc1F 2325864375 NHGRNXIESHYENE-UHFFFAOYSA-N 314.360 2.514 0 50 DFAA O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccco1 382640 URBKQJMPQZKRHR-UHFFFAOYSA-N 306.321 2.709 0 50 DFAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 804714 ZXNORTFHDNEKEW-UHFFFAOYSA-N 324.446 2.846 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)CC1 2356136272 NEGRNWAHHHZMTM-IHRRRGAJSA-N 323.462 2.648 0 50 DFAA COc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1OC 3908094 ZICQHKXYPFRHIW-UHFFFAOYSA-N 302.330 2.595 0 50 DFAA COc1ccc([C@@]2(O)CC(C)=NN2C(=O)OC(C)(C)C)cc1 4671815 YITAQKPNNZELDO-INIZCTEOSA-N 306.362 2.857 0 50 DFAA CCOC(=O)Cc1ccc(NC(=O)C(F)(F)C(F)F)cc1 4842339 OOGJDCILAMJMKI-UHFFFAOYSA-N 307.243 2.631 0 50 DFAA COc1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1Cl 4943021 DVISRSJEZMRYBF-UHFFFAOYSA-N 305.725 2.734 0 50 DFAA C[C@@H]1CN(CCSCc2ccccc2)C[C@H]1N1CCOCC1 248714177 DMUHIPRVTCREJN-SJLPKXTDSA-N 320.502 2.572 0 50 DFAA Cc1ccccc1CN1CCN(CC(C)(C)C)[C@@H](CCO)C1 20601489 IQBDHSHODVZGLZ-SFHVURJKSA-N 304.478 2.910 0 50 DFAA O=C(C[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccccc1 246115781 RAPVOFSNQVHPDZ-CBZIJGRNSA-N 313.397 2.533 0 50 DFAA C[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 136360491 WSSWVVAWUNCACH-TXEJJXNPSA-N 301.390 2.719 0 50 DFAA CCCOc1ccc(CNC(=O)N2CC[C@]23CCOC3)c(C)c1 422191157 XDURWPHHFLEXKQ-GOSISDBHSA-N 318.417 2.858 0 50 DFAA Cc1cccnc1C[C@@H](C)NC(=O)c1cccc(-n2cccn2)c1 67689271 IHNJINYHJGOCFC-OAHLLOKOSA-N 320.396 2.937 0 50 DFAA Cc1cc(Br)cc(C(=O)N[C@H](C)[C@H]2CCOC2)c1 128248586 JEQSCEFDNUXAEC-MNOVXSKESA-N 312.207 2.912 0 50 DFAA Cc1nc(CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)cs1 252467441 LDANIIYGQDHURX-NEPJUHHUSA-N 310.467 2.514 0 50 DFAA Cc1ccc(CN(C)Cc2cnc(NC[C@@H]3CCCO3)nc2)o1 216317037 AMCVBUYJTPTYKD-HNNXBMFYSA-N 316.405 2.601 0 50 DFAA COc1ccnc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1 121316962 BIKMXUVHXAHZSN-SUMWQHHRSA-N 320.339 2.676 0 50 DFAA CCOC(=O)N(C)c1ccc(N[C@@H](C)Cn2cccn2)cc1 121511564 MJFNESHOWRDIHX-ZDUSSCGKSA-N 302.378 2.976 0 50 DFAA CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1cscn1)C2 253431168 OICPYNURFBWSMY-MEDUHNTESA-N 322.430 2.727 0 50 DFAA O=C(c1cccc(-c2ccoc2)c1)N1CC[C@@](F)(C(=O)O)C1 262820650 VZGGDXKOVAOXSJ-INIZCTEOSA-N 303.289 2.585 0 50 DFAA C[C@@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F 362605994 KCJJANHNTHVZLA-SNVBAGLBSA-N 306.316 2.829 0 50 DFAA O=C(Cc1c[nH]c2ncccc12)Nc1cccc2nc(O)oc12 356831066 QCEKCFINNUMJKI-UHFFFAOYSA-N 308.297 2.591 0 50 DFAA C[C@@H]1[C@H](C(=O)N2CCC(c3nncn3C)CC2)[C@H]1c1ccccc1 374017139 IXLVFZZSRHOLJT-XKQJLSEDSA-N 324.428 2.571 0 50 DFAA Cc1cc([C@@H]2CCCN([C@H](C)c3nc(C4CC4)no3)C2)n[nH]1 257366350 UAZUWDMLONBGLS-DGCLKSJQSA-N 301.394 2.919 0 50 DFAA Cc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1 38108130 XPOCVSICIQRIPN-UHFFFAOYSA-N 305.334 2.811 0 50 DFAA COc1cc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)ccc1OC(C)C 156472915 LOZARRLMIBGHTJ-UKRRQHHQSA-N 320.433 2.682 0 50 DFAA CC(C)c1nc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cs1 236822463 PDZCAGGXXASRAX-NSHDSACASA-N 310.419 2.984 0 50 DFAA Cc1ncc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)c(C2CC2)n1 373021397 NHCKQVLOMWGHIK-QGZVFWFLSA-N 322.412 2.579 0 50 DFAA C/C=C(\C)CN1C[C@H](Sc2ccccn2)C[C@H]1C(=O)N(C)C 14990888 PNICLCAAYGMAOX-MZGVWUSBSA-N 319.474 2.671 0 50 DFAA CN(CC1CCC(C(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 158479474 XZLMNAXQSMZPCN-YMAMQOFZSA-N 301.496 2.958 0 50 DFAA O=C(NCc1ccn(C2CCCC2)n1)[C@@H]1CCc2cccnc21 333505838 SSEKQEDQJOGFTJ-MRXNPFEDSA-N 310.401 2.739 0 50 DFAA COc1cc(Cl)ccc1S(=O)(=O)n1ccnc1C(C)C 41095507 ZUBKIWMERSPZDU-UHFFFAOYSA-N 314.794 2.906 0 50 DFAA CNC(=O)c1ccc(Cl)c(NCc2noc(C(C)(C)C)n2)c1 172899477 PFLQMGOIZFQZNB-UHFFFAOYSA-N 322.796 2.992 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)CCc2ccc(F)cc2F)CC1 221354094 ZHVYRSGZBJBLHX-HNNXBMFYSA-N 310.388 2.840 0 50 DFAA CCOc1ccc(CN2CCN(c3ccc(C)nn3)CC2)cc1 605433052 IRYLDXNTDUMKRH-UHFFFAOYSA-N 312.417 2.506 0 50 DFAA CC1(C)CC[C@@H]1N[C@H](C(N)=O)c1cccc(Br)c1 284356042 NOZZEVPRLXOPLK-RYUDHWBXSA-N 311.223 2.754 0 50 DFAA COC[C@@H]1[C@@H](NC(=O)c2ccc3oc(C)cc3c2)[C@@H]2CCO[C@@H]21 222974796 ZRVXSYMJFRGMLS-FSDCSDTHSA-N 315.369 2.521 0 50 DFAA CC(C)c1csc(CCNC(=O)C2(Cn3ccnc3)CC2)n1 221234649 QEUOQCFMNOSLPO-UHFFFAOYSA-N 318.446 2.602 0 50 DFAA Cc1ccccc1[C@H](CNc1ncc(F)c(N(C)C)n1)N(C)C 95375930 OBHUUWRFRUAWEW-HNNXBMFYSA-N 317.412 2.705 0 50 DFAA CC(C)(C)c1nc(C(=O)N2CCC(F)(F)[C@H](CO)C2)cs1 291040401 HEXOMJPVAHVOJE-VIFPVBQESA-N 318.389 2.530 0 50 DFAA CN(C(=O)[C@H](c1ccc(F)cc1)N(C)C)C1CCSCC1 95370216 UHWGBEFQVNNAMW-HNNXBMFYSA-N 310.438 2.782 0 50 DFAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1cn[nH]c1 615902680 HDFNELIFJGMETJ-KRWDZBQOSA-N 321.384 2.881 0 50 DFAA CSCCc1nc(-c2cnc(C)cn2)n(CC(F)(F)F)n1 95502042 QVHCXZMYIPREKQ-UHFFFAOYSA-N 317.340 2.511 0 50 DFAA CCCCN(Cc1ccsc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C 91468804 JGFLIEXCIFDMCB-HNNXBMFYSA-N 320.462 2.917 0 50 DFAA C[C@H]1Cc2c(ncn2CC(=O)NOCc2ccccc2)C[C@H]1C 295129237 JPWXVKMZZFGPBU-KGLIPLIRSA-N 313.401 2.502 0 50 DFAA Cc1cc(C(=O)N[C@H]2CC[C@@H](CO)C2)cc(C)c1OC(F)F 295428057 JGWZWHUOUJUGRO-YPMHNXCESA-N 313.344 2.796 0 50 DFAA Cc1cc(O)nc(C(C)(C)NC(=O)CCc2ccccc2F)n1 622739190 YGKPZOFPDQHCOZ-UHFFFAOYSA-N 317.364 2.614 0 50 DFAA CCCNc1ccc(Cl)cc1NC(=O)CCc1nnc[nH]1 182445819 XFQRLSMHVWNKDP-UHFFFAOYSA-N 307.785 2.851 0 50 DFAA Cc1ccc2nc(CCCNC(=O)C[C@@H]3CCOC3)[nH]c2c1C 534576188 PYPGBTMNURCQOT-AWEZNQCLSA-N 315.417 2.655 0 50 DFAA CSc1ccccc1C(=O)N[C@H](c1ncnn1C)C(C)C 299795942 NQZOSEZLBQUFJQ-ZDUSSCGKSA-N 304.419 2.664 0 50 DFAA Cc1cc(C(=O)N2CCC(CN3CCCC3)CC2)cc(C)n1 299789677 AAZAGGJZJYJXIW-UHFFFAOYSA-N 301.434 2.646 0 50 DFAA CCO[C@H](CC)CNC(=O)N1CCCN(c2ccccc2)CC1 584893047 JOHPNFLOKWSZLY-QGZVFWFLSA-N 319.449 2.723 0 50 DFAA Clc1cccnc1N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565511548 NTVXJYGKZRDCPL-STQMWFEESA-N 305.765 2.778 0 50 DFAA CC(C)[C@H](NCc1cn2cccnc2n1)[C@@H](O)c1ccccc1 408516336 JVZXGQALXKBMOA-IRXDYDNUSA-N 310.401 2.577 0 50 DFAA CCc1nc(CNCc2c(C(F)(F)F)cnn2C)cs1 657354229 PUDBYNNNYAAZNJ-UHFFFAOYSA-N 304.341 2.748 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(OC)c(OC)c1 277759191 KFZYIQHQSAPGTL-KBPBESRZSA-N 307.390 2.525 0 50 DFAA C[C@H]1CN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 170592313 QSDFANNBERHBAI-QLFBSQMISA-N 312.454 2.743 0 50 DFAA COc1cccc([C@@H](NC(=O)[C@H](C)c2cccs2)C(=O)O)c1 659174562 HLOGQXJMTAPYIP-QMTHXVAHSA-N 319.382 2.802 0 50 DFAA COC[C@H](CN(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)OC 585094107 BJGTVVOVIZOGFM-QRQLOZEOSA-N 320.477 2.633 0 50 DFAA CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCc2nocc2C1 585122596 FGYJVPXGBIPKAP-MRXNPFEDSA-N 300.358 2.725 0 50 DFAA CO[C@@H](C)c1nc(CN(C)C(=O)c2ncoc2C2CC2)cs1 1615560511 ZAMADHWIUAEQMY-VIFPVBQESA-N 321.402 2.988 0 50 DFAA CCN1CCC[C@H](N[C@H]2CCc3ncnn3C2)c2ccccc21 1616031989 QCUWJMNDWIDZGR-HOCLYGCPSA-N 311.433 2.544 0 50 DFAA Cc1ncnc(N2CCN(c3nccc4ccccc34)CC2)c1C 1529166933 APRFJADJKQXOMJ-UHFFFAOYSA-N 319.412 2.968 0 50 DFAA COc1ccc(Br)c(/C=C2\SC(=N)NC2=O)c1 4628744 FVHVTYNEJBGIMR-UITAMQMPSA-N 313.176 2.596 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1ccccc1 1857678225 JAOSPQZLGDFDGO-HDMKZQKVSA-N 301.386 2.864 0 50 DFAA CCC[C@@]1(CO)CN(CCCCOc2ccccc2)CC[C@@H]1O 1857734129 KWQNQHBDDNSKJN-OALUTQOASA-N 321.461 2.691 0 50 DFAA O=C(N[C@@H]1CCc2c(Cl)cccc21)[C@H]1CC12CCNCC2 237895975 UONHYQKHIKIMDA-UKRRQHHQSA-N 304.821 2.833 0 50 DFAA O=C(O)C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)c2ccccc21 321783030 RVFOECKYQXHDQD-CJNGLKHVSA-N 307.349 2.931 0 50 DFAA Cn1cnnc1[C@H]1CN(Cc2ccc(C(C)(C)C)s2)CCO1 328629278 ICJDBUSFTDZURL-CYBMUJFWSA-N 320.462 2.748 0 50 DFAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1csc(CN)n1 237356579 RPJLJUXCABPRJT-PWSUYJOCSA-N 319.405 2.759 0 50 DFAA Cc1nc([C@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C2)n[nH]1 333998193 PLSXHKKMVUSUOE-LBPRGKRZSA-N 304.781 2.705 0 50 DFAA O=C(O)CCCOc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)cc1 238011387 BFQQKMUNZITAQA-CVEARBPZSA-N 317.385 2.593 0 50 DFAA CC[C@@H]1CN(Cc2cccc3cnccc23)C[C@@H](C)[S@]1=O 589186901 PXYNPAHBRFVNNI-NZCGUCNHSA-N 302.443 2.966 0 50 DFAA CC(C)c1ccc(N(C)C(=O)CNC(=O)N2CCCC2)cc1 901089536 RJNZJPDUJRTOQM-UHFFFAOYSA-N 303.406 2.578 0 50 DFAA CC(=O)N1CCC[C@H]1c1noc(-c2cc(O)nc3ccccc23)n1 867087947 RUEWBWHUMZHHPV-AWEZNQCLSA-N 324.340 2.674 0 50 DFAA CO[C@H]1C[C@@H](Cn2nnnc2N2CCC[C@@H]2c2ccsc2)C1 952878442 DSXIMXORBLIVHS-KWCYVHTRSA-N 319.434 2.501 0 50 DFAA O=C(C1C2(CC2)C12CC2)N1CCC2(CC1)C(=O)Nc1ccccc12 1875298732 LSGISRFCVGSCAB-UHFFFAOYSA-N 322.408 2.689 0 50 DFAA O=C(Nc1n[nH]c(C2CCCC2)n1)[C@@H]1CCc2cccc(O)c21 1875275489 BJMKQYCGVMHGRN-GFCCVEGCSA-N 312.373 2.836 0 50 DFAA C[C@H](ONC(=O)[C@@H]1C[C@@H](c2ccccc2)CO1)c1ccncc1 1875297938 IZEVKIJCSAAJRS-XKQJLSEDSA-N 312.369 2.763 0 50 DFAA CN(C)C(=O)c1cccnc1N1CCC(c2ccncc2)CC1 1875263733 LFVOTDBKCYVKFT-UHFFFAOYSA-N 310.401 2.562 0 50 DFAA Cc1cc(C)c(CC(=O)NCc2conc2C2CCC2)c(O)n1 1875297497 SWDNKCHQLCAQIY-UHFFFAOYSA-N 315.373 2.518 0 50 DFAA 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426490503 PJGSSABDWDXRJE-UHFFFAOYSA-N 324.428 2.547 0 50 DFAA Cc1cc(-c2cc(F)cc3cccnc23)nc(N2CCOCC2)n1 426716840 IFMMHBCPXRTCIB-UHFFFAOYSA-N 324.359 2.976 0 50 DFAA CC[C@@H]1[C@H](NC(=O)CCCc2ccc(OC)cc2)[C@@H]2CCO[C@@H]21 223906615 IZXKKTXGHHFEIG-KCITZHQASA-N 317.429 2.948 0 50 DFAA C[C@H](C(=O)Nc1cccc2c1COC2=O)N(C)Cc1ccccc1 288897265 JCWOEIBZONQENL-CYBMUJFWSA-N 324.380 2.816 0 50 DFAA Cc1ncsc1CCN(C)c1nccc(-c2cccnc2)n1 96140305 CXKVIEAYJYCEKA-UHFFFAOYSA-N 311.414 2.982 0 50 DFAA COc1ccc(-c2c(C(F)(F)F)nn(C)c2C)c(OC)n1 426730369 HDEMRNVBYKYLLL-UHFFFAOYSA-N 301.268 2.827 0 50 DFAA Cc1ccc2[nH]c(CNCC[C@@H]3CCCCO3)cc(=O)c2c1 91997446 KRMDEUKNWNOTNS-HNNXBMFYSA-N 300.402 2.885 0 50 DFAA N[C@H]1C[C@@H](c2nnc(COc3ccc(F)cc3F)n2C2CC2)C1 244734749 NLEYHDXGWDQNNP-JGZJWPJOSA-N 320.343 2.675 0 50 DFAA O=C(c1cccc(Cl)c1F)N1CCCC[C@@H]1c1nc[nH]n1 181361489 YDQQBCUPGHUWIR-LLVKDONJSA-N 308.744 2.965 0 50 DFAA CCCc1nc(C)c(CNC(=O)CCn2nc(C)cc2C)s1 534577257 AAXIEJLZVNTDPY-UHFFFAOYSA-N 320.462 2.924 0 50 DFAA CC1(C)C[C@@]1(C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N)c1cccs1 534587316 AFOWJJSXHKOVKB-IFOZYUSPSA-N 304.459 2.612 0 50 DFAA CN(C)c1ccc(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)cc1 299800735 IOCKMYOUHJIIEH-UHFFFAOYSA-N 314.433 2.632 0 50 DFAA Cn1c(CN2CC(Oc3ccc(F)cc3)C2)nc2ccccc21 299764069 RFFBHVOLWSTCAF-UHFFFAOYSA-N 311.360 2.976 0 50 DFAA CC(C)(C)c1ccc(-n2ncnc2CCCn2cncn2)cc1 822267668 JPAUWTZCDFJQSS-UHFFFAOYSA-N 310.405 2.789 0 50 DFAA CCn1cnnc1CN(C)C1CCN(c2ccccc2F)CC1 670454874 WWKAVEUVGZJZOE-UHFFFAOYSA-N 317.412 2.538 0 50 DFAA Cc1cc(=O)c2ccccc2n1CC(=O)N1C[C@H]2CCC[C@@H]1C2 1073327070 XISGVRXTJIPRGA-LSDHHAIUSA-N 310.397 2.711 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)c2ccc(F)cc2)C1 958528608 WHTHMECBLHHBPP-YOEHRIQHSA-N 324.396 2.588 0 50 DFAA Cc1nc(C(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)cs1 952977431 ICPSNVFKFSLMJP-SSDOTTSWSA-N 302.359 2.633 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)c2c(C)ncnc2C)C1 952962509 FTXWAYPZMHRFNB-UHFFFAOYSA-N 311.385 2.614 0 50 DFAA CCc1nccn1CCC(=O)Nc1cccc(-n2cccn2)c1 952987047 IVWLRAWRSGNONJ-UHFFFAOYSA-N 309.373 2.660 0 50 DFAA CC(C)CCn1c(CN2C[C@@H](O)[C@H](F)C2)nc2ccccc21 952971289 JPBGNUYGFCANHN-CZUORRHYSA-N 305.397 2.597 0 50 DFAA CC[C@H]1[C@H](NC(=O)CCc2ccc(N(C)C)cc2)[C@H]2CCO[C@@H]12 1565506385 ICXNTWZCFNZPNH-NBMJBFSESA-N 316.445 2.615 0 50 DFAA COC1CCN(c2ccnc(Cc3ccc(F)cc3)n2)CC1 408518769 YZHJTUGUQBNZMP-UHFFFAOYSA-N 301.365 2.822 0 50 DFAA Cc1cc(N[C@H]2CCO[C@@H](c3ccccc3)C2)n2ncnc2n1 274167038 NNKBJWZOSFSBPG-LSDHHAIUSA-N 309.373 2.765 0 50 DFAA O=C(N[C@@H]1CCc2ccccc2C1)[C@H]1CCO[C@@H]1c1cccnc1 276757037 ZHWXGQQCMREFOA-CEXWTWQISA-N 322.408 2.833 0 50 DFAA CNC(=O)CCCC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32 170602340 WUQLEFWSICQIBX-DZGCQCFKSA-N 300.402 2.584 0 50 DFAA COc1cc(CN(C)C)ccc1NC(=O)c1nc(C)oc1C 585088282 SPSDDVLWTKCYGX-UHFFFAOYSA-N 303.362 2.614 0 50 DFAA Cc1cccc(NC(=O)NCc2nc(C(F)(F)F)no2)c1 585119015 MRWNUBGJYMTXKV-UHFFFAOYSA-N 300.240 2.719 0 50 DFAA O=C(N1CCN(c2ccccn2)CC1)C(F)(F)c1ccccc1 193355690 HLCGYUARZZGUDB-UHFFFAOYSA-N 317.339 2.522 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H](C)CO 1615585432 FQBKKIYXIREJTM-ZNMIVQPWSA-N 314.470 2.629 0 50 DFAA COc1ccc(OCC(F)(F)C(F)F)c(C(=O)N(C)C)c1 424556967 CFOIMDDQMFGMFA-UHFFFAOYSA-N 309.259 2.676 0 50 DFAA Brc1ccnc(CNc2ncnc3c2CCCC3)c1 644942968 HFLNXIOVSCZQCB-UHFFFAOYSA-N 319.206 3.125 0 50 DFAA CC(C)c1cccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)c1 1704354601 JIRFSHJMMIHWEU-RTBURBONSA-N 324.424 2.881 0 50 DFAA CC(C)(C)C(=O)Nc1cncc(F)c1I 146925471 WBPSWPQXZPDDCL-UHFFFAOYSA-N 322.121 2.810 0 50 DFAA CCCCCCN1CC2=C(C1=O)[C@@H](c1ccccc1)NC(=O)N2 5094559 HPFXNHFMKDQDQZ-MRXNPFEDSA-N 313.401 2.717 0 50 DFAA COc1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1F 12246390 DGEUJNVPSRXPRT-LBPRGKRZSA-N 303.337 2.577 0 50 DFAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCN(C)CC1 16605168 SAJPIDYVGQFHES-QGZVFWFLSA-N 304.434 2.671 0 50 DFAA COc1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 168179854 WSYPDCZGUZHFBG-SERXHIIQSA-N 317.385 2.619 0 50 DFAA C[C@H](O)c1nc(-c2ccc3sc(=N)[nH]c3c2)n(C(C)(C)C)n1 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CC(=O)N1C[C@H](NCc2ccc(C)o2)CC[C@@H]1C(F)(F)F 886038131 NNFNDWSAWDOCOX-DGCLKSJQSA-N 304.312 2.619 0 50 DFAA O=C(Nc1ccnn1C1CCC1)c1cc(-c2ccccn2)no1 890355984 KVDLUCFOXKHTEN-UHFFFAOYSA-N 309.329 2.910 0 50 DFAA O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1C[C@H]2C[C@]2(C(F)F)C1 1776008247 ZRXBRMOXKVIYIT-HWPZZCPQSA-N 321.302 2.943 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1csc(-c2ccsc2)n1 237429101 YWPIHNQTRGHHJL-MWLCHTKSSA-N 307.444 2.823 0 50 DFAA C[C@H]1CN(CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H](C)O1 20572431 RUZKNNPQFKRHAI-UWVGGRQHSA-N 300.761 2.527 0 50 DFAA CC(=O)N1Cc2ccc(NCc3cccn4nccc34)cc2C1 2325739110 KSKDMKYSDQWIBX-UHFFFAOYSA-N 306.369 2.809 0 50 DFAA CCS(=O)(=O)Nc1cc(-c2nc(C)cc(C)n2)ccc1OC 2325762806 PDRZAACOAUXCRR-UHFFFAOYSA-N 321.402 2.531 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)n2)CC1 2325788217 TUGKQKACHQBRME-SNVBAGLBSA-N 302.296 2.787 0 50 DFAA Cc1cc(C2CN(C(=O)[C@@H]3COc4cc(C)c(C)cc43)C2)no1 2325791215 BOGYIJDKRVKJEC-OAHLLOKOSA-N 312.369 2.702 0 50 DFAA 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Cc1cccnc1CNC(=O)CCc1nnc(-c2ccccc2)o1 23251492 LBEJFPGPJJESJP-UHFFFAOYSA-N 322.368 2.689 0 50 DFAA CCc1nc(CCNc2ncnc3sc(C)c(C)c23)no1 65434872 XETPHTRYNJESLD-UHFFFAOYSA-N 303.391 2.908 0 50 DFAA Cc1ccc(C(=O)NCc2cc(O)nc(C3CC3)n2)cc1Cl 1363354059 DODQKEWQQIUCBF-UHFFFAOYSA-N 317.776 2.951 0 50 DFAA CCCc1cnc(C)nc1NCC1CCN(C(=O)C2CC2)CC1 65370632 YWEFSMNXFJYXET-UHFFFAOYSA-N 316.449 2.798 0 50 DFAA O=C(N[C@H]1CC(=O)c2cc3c(cc21)OCO3)c1ccc(F)cc1 1384213 QLPXZILWFRAFJP-ZDUSSCGKSA-N 313.284 2.612 0 50 DFAA CCN1CCc2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc21 252498231 TZGRIYPYVANQMM-MLGOLLRUSA-N 303.406 2.758 0 50 DFAA O[C@@H]1CCCN(C2CCN(CCSc3ccccc3)CC2)C1 72167692 ZSEQAPFQHOIPCZ-QGZVFWFLSA-N 320.502 2.700 0 50 DFAA CC(C)(C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(O)cc1 253404654 CXGBYZYMMCGLSP-OAGGEKHMSA-N 303.402 2.744 0 50 DFAA CN(CC1(CO)CCC1)C(=O)c1cccc(CCC(C)(C)O)c1 72435943 KYFVVJDNQBXJFA-UHFFFAOYSA-N 319.445 2.625 0 50 DFAA Cc1cc(C(F)(F)F)nn1Cc1n[nH]c(=S)n1C1CC1 8549426 TYOLREQZEHBZHL-UHFFFAOYSA-N 303.313 2.848 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@H]1OCCc2ccccc21 152090225 VPKAIGQTIXDFMT-GTNSWQLSSA-N 314.385 2.825 0 50 DFAA Cc1ccccc1Cc1nnc(CN2CC[C@@]3(CCOC3)C2)o1 152292758 YUVYATOBKLEKRA-GOSISDBHSA-N 313.401 2.581 0 50 DFAA Cc1cc(NC[C@H](O)c2cccc(F)c2)n2nc(C)c(C)c2n1 72463452 HOROLIZOQOOMED-HNNXBMFYSA-N 314.364 2.939 0 50 DFAA Cc1ccc(CNC(=O)C2(N(C)C)Cc3ccccc3C2)s1 12704481 PEZOFSBZKHVKLD-UHFFFAOYSA-N 314.454 2.772 0 50 DFAA CC1(C)C(O)=N[C@H]1C1CCN(C(=O)CC[C@H]2CCCO2)CC1 329337604 PXISYKLIAOHHQM-HIFRSBDPSA-N 308.422 2.549 0 50 DFAA FC(F)(F)c1cnc(N2CCOC3(CCOCC3)CC2)s1 365029102 NEVNBUVUQAQGTC-UHFFFAOYSA-N 322.352 2.938 0 50 DFAA CN1CCC[C@H](c2nn3c(Cc4ccccc4)nnc3s2)C1 71753892 QCWXYJZIIRALDE-ZDUSSCGKSA-N 313.430 2.586 0 50 DFAA O=C(/C=C/c1ccco1)N1CC[C@@](O)(c2ccc(F)cc2)C1 375024897 YNGPGDDTLUQYNA-OZSKJFCKSA-N 301.317 2.552 0 50 DFAA CCOc1ccccc1OC1CCN([C@H](CC)C(=O)O)CC1 372789465 DYCGVCIUUQRMMX-CQSZACIVSA-N 307.390 2.792 0 50 DFAA O=C(c1ccnc2ccncc12)N1CC[C@H](C2CCOCC2)C1 376960869 MPJJSSZUHZUAIP-AWEZNQCLSA-N 311.385 2.519 0 50 DFAA Cc1ccc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)nc1C 333697995 QKMSPNMEZJSGJL-UKRRQHHQSA-N 314.389 2.674 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cnc(Cc2ccccc2)s1 237427190 BZRKLAJPQBOQPN-TZMCWYRMSA-N 315.442 2.686 0 50 DFAA Cc1csc([C@@H]2CN(C[C@@H](O)c3cccc(F)c3)CCO2)n1 222187807 QXWOPMFENVOJCN-CABCVRRESA-N 322.405 2.698 0 50 DFAA CCn1ccnc1[C@H](NCc1cccnc1)C1CCOCC1 284415408 DKZSLBSZNSCMEL-MRXNPFEDSA-N 300.406 2.556 0 50 DFAA C[C@@H](C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1)N(C)C 426567147 UBRPAEMHCJPURK-NSHDSACASA-N 303.406 2.692 0 50 DFAA CCc1cccc(OCCN(C)C(=O)NC[C@]2(C)CCCO2)c1 426381378 ARWFUGLVVKTFQD-SFHVURJKSA-N 320.433 2.838 0 50 DFAA COCc1cc(N[C@H](Cn2cccn2)c2ccccc2)ncn1 91707977 QRPDMVCIDYZJNY-MRXNPFEDSA-N 309.373 2.673 0 50 DFAA Cc1ccc([C@H](C)Cc2cn(Cc3nnc4ccccn34)nn2)o1 95369600 WFWGYDXPJIIRQV-GFCCVEGCSA-N 322.372 2.617 0 50 DFAA CN(CCCc1cnn(C)c1)C(=O)C[C@@H]1CCc2ccccc21 91650637 HANRWVIYFVPJCO-KRWDZBQOSA-N 311.429 2.931 0 50 DFAA C[C@@H](O)c1cccc(N(C)Cc2cccc(-n3cccn3)c2)n1 95497769 HFNNENIGYPXHKL-CQSZACIVSA-N 308.385 2.957 0 50 DFAA COc1cccc(OCCN2CCC(c3n[nH]cc3C)CC2)c1 252480667 CBZWRYXRFBQAQN-UHFFFAOYSA-N 315.417 2.985 0 50 DFAA CC(C)(CN[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 182533641 SYMJKLUXKMOHAU-AWEZNQCLSA-N 315.866 2.784 0 50 DFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)N(C)CC(C)(C)CO)cc1 298286803 MVLWLTVXBPWBGY-JKSUJKDBSA-N 320.433 2.601 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc(C(=O)O)cc1Br 263619796 AWKHQZKKTZVWMI-UHFFFAOYSA-N 317.139 2.889 0 50 DFAA COCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 534575974 UKEQXEOZSIKSOC-OAHLLOKOSA-N 310.825 2.630 0 50 DFAA O=C(c1c[nH]nc1C1CC1)N1CCO[C@@]2(CCc3ccccc32)C1 184518633 IRRGHYNSNAFEHF-IBGZPJMESA-N 323.396 2.601 0 50 DFAA CCO[C@H](C)CNC(=O)N1CC(Oc2c(C)cccc2C)C1 534631131 HKBOYSRKSJVPCJ-CQSZACIVSA-N 306.406 2.501 0 50 DFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NC1(CO)CCCCC1 534659680 FNDLQQPRDTZJEX-DLBZAZTESA-N 322.493 2.843 0 50 DFAA CCc1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)cs1 299793819 INLBQOYKTPFMMT-UHFFFAOYSA-N 306.431 2.538 0 50 DFAA CCOc1cccnc1N1CCN(c2nc3ccccc3o2)CC1 1337268011 YIYLJSHUGGCJMM-UHFFFAOYSA-N 324.384 2.948 0 50 DFAA Cc1cc(NC(=O)[C@@H](C)N2CCCCC2)cc2sc(N)nc12 952979717 IIFKYGUEKXWNES-LLVKDONJSA-N 318.446 3.000 0 50 DFAA Cc1ccc2nc(CN(C)Cc3cnn4cccnc34)[nH]c2c1 952963625 LJEAFEXSLSQKNH-UHFFFAOYSA-N 306.373 2.546 0 50 DFAA CN(CC(=O)O)C(=O)C[C@H](Cc1ccccc1)c1ccco1 952968310 LLOPKASDMJJQMR-AWEZNQCLSA-N 301.342 2.539 0 50 DFAA COC[C@H](NC(=O)N1CCCO[C@H]2CCC[C@@H]21)c1ccc(C)o1 170014282 HHKQVNLTJJXQHS-DZKIICNBSA-N 322.405 2.629 0 50 DFAA CC(C)OCCC[S@@](=O)c1ccc(Br)cn1 170610981 LYLFCLSXBQZLQO-MRXNPFEDSA-N 306.225 2.767 0 50 DFAA Cc1ccc(C)c(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)c1 663160062 VTSICCICWRCCHT-ZDUSSCGKSA-N 309.373 2.864 0 50 DFAA OC1(c2ccccc2)CN(Cc2cnc(-c3ccccn3)s2)C1 585085064 ZTQWGUOVUHTAOI-UHFFFAOYSA-N 323.421 2.909 0 50 DFAA CC1(c2cc(NS(=O)(=O)c3ccc(F)cc3F)on2)CC1 1615589470 YGXFRPQXSLXFRB-UHFFFAOYSA-N 314.313 2.805 0 50 DFAA O=C(Cc1ccc2n[nH]cc2c1)OC[C@@H]1CCC2(CCC2)CO1 1647383504 NSNCMEVLCFWUOA-HNNXBMFYSA-N 314.385 2.998 0 50 DFAA CCN(CC)C(=O)c1ccc(I)cc1 443490 GHOMPHXKTJFWCV-UHFFFAOYSA-N 303.143 2.773 0 50 DFAA in-vitro COc1nccnc1N1CCC[C@@H]1c1ccc(CN(C)C)cc1 1529126837 RKQKFNOHEQJBBM-MRXNPFEDSA-N 312.417 2.888 0 50 DFAA CCc1nn(C)c(NC(=O)CCc2scnc2C)c1CC 1529178411 KRCPZAYRIOZIRC-UHFFFAOYSA-N 306.435 2.881 0 50 DFAA COc1cccc(SCC(=O)N2C[C@H](C)[C@@](O)(C(C)C)C2)c1 222479642 OCZZGXVWSUZHKU-GUYCJALGSA-N 323.458 2.653 0 50 DFAA CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 12282176 KMMAEEPBAYTWTR-GXTWGEPZSA-N 311.385 2.609 0 50 DFAA CCN1CCC(NC(=O)c2c(-c3ccccc3)noc2C)CC1 16605959 SQONCGRDEHYXIQ-UHFFFAOYSA-N 313.401 2.864 0 50 DFAA O=C(c1ccncc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19720129 VJCIKNOICKCDBL-UHFFFAOYSA-N 320.396 2.521 0 50 DFAA c1cnc2n[nH]c(Cn3ccnc3-c3cccc4ccnn34)c2c1 1857723355 BWNILGYNQRTKNL-UHFFFAOYSA-N 315.340 2.517 0 50 DFAA Nc1ccc(I)cc1OC(F)(F)F 4245002 CRHUIDOGQZJYBV-UHFFFAOYSA-N 303.021 2.772 0 50 DFAA in-vitro O[C@@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)Cn1cnc2ccccc21 104040345 CIJJBJLKHGUXOZ-YHUYYLMFSA-N 300.402 2.850 0 50 DFAA O=C(C1=CCCCO1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 365698263 NSDSVPYKPBPJQA-ZFWWWQNUSA-N 321.804 2.569 0 50 DFAA CCc1noc(C)c1CN1CCOc2ccccc2[C@H]1C(=O)O 903926151 FKVHBUBRGSYHCV-INIZCTEOSA-N 316.357 2.566 0 50 DFAA C[C@@H]1CNC[C@H]1Cc1nc(Cc2cccc(F)c2Cl)no1 904616114 WKXVVWLOBWEBJB-MWLCHTKSSA-N 309.772 2.851 0 50 DFAA CN(C)C1(CNC(=O)N[C@@H]2CCSc3ccccc32)CC1 864094135 GXWCDGOVRMPOJQ-CYBMUJFWSA-N 305.447 2.617 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2CC[C@H](C3CC3)O2)[nH]1 1875272137 LJJUUHQFOUNJPB-WMLDXEAASA-N 310.401 2.638 0 50 DFAA NC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2CCCC3)c1 1875279298 NXFRWLOMFUBEHV-UHFFFAOYSA-N 309.291 2.869 0 50 DFAA CC[C@@H](C)NC(=O)c1ccc(N=c2[nH]cnc3cnccc23)cc1 1875301673 OWBDIRUPLBPPTI-GFCCVEGCSA-N 321.384 2.719 0 50 DFAA COC(=O)Cc1ccc(OC[C@@H]2C[N@@]2CC(C)C)cc1Cl 1875381949 MCADXVHQUAFWOO-SCLBCKFNSA-N 311.809 2.775 0 50 DFAA C[C@@H](CC(=O)N1CC2(CCC2)[C@H]1C(=O)O)c1ccc(F)cc1F 1875320844 MPRHLJSXEWRMOW-ZUZCIYMTSA-N 323.339 2.924 0 50 DFAA OC1CCN(c2nccc(SCc3ccccc3)n2)CC1 888095754 XMKDPECTWUUHKL-UHFFFAOYSA-N 301.415 2.730 0 50 DFAA O=C(O)[C@@H]1CN(Cc2ccn(C3CCC3)n2)Cc2ccccc21 2325775330 XRXVDQMQUVDQBB-QGZVFWFLSA-N 311.385 2.792 0 50 DFAA Fc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 238406 NCZGGOSVDCGMAW-UHFFFAOYSA-N 314.360 2.877 0 50 DFAA COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 302916 MUXLZZHKKCQKBL-CQSZACIVSA-N 319.426 2.995 0 50 DFAA C[C@]1(O)CCOC2(CCN(c3ncnc4sccc34)CC2)C1 2356142248 KFTIEQYGCQHDJD-HNNXBMFYSA-N 319.430 2.592 0 50 DFAA O=C(CSc1nncn1-c1ccccc1)NCc1ccccc1 3292921 GSXDXONQRMNDNU-UHFFFAOYSA-N 324.409 2.676 0 50 DFAA N[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2N2CCCCC2)C1 346303408 ZLHZFIRCYXSMDO-NVXWUHKLSA-N 315.461 2.811 0 50 DFAA Cc1ccc(-c2noc(-c3ccccc3OCC(N)=O)n2)cc1 21524752 ANHUHFICPASPKF-UHFFFAOYSA-N 309.325 2.576 0 50 DFAA CN(CCn1ccc2ccccc21)C(=O)c1c(O)cccc1O 67934978 VUZMRFALEKDCQT-UHFFFAOYSA-N 310.353 2.825 0 50 DFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@@H](C)N 67770070 VMULVGGDSCNQRV-CQSZACIVSA-N 313.401 2.844 0 50 DFAA Cc1cc(C)c(CN(C)Cc2nc(C)no2)c(-n2cccn2)c1 67772990 AKKVJUFKZBYLCK-UHFFFAOYSA-N 311.389 2.813 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCc2noc(C3CCCC3)n2)n1 67649814 MHWMFBLQCRTCIJ-LBPRGKRZSA-N 303.410 2.719 0 50 DFAA CC(C)c1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)[nH]n1 67804035 TWFLJTBKLOHGMP-QGZVFWFLSA-N 312.417 2.662 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CCOCc1ccccc1)C(=O)O 2562511 RFDXPGUBDAKLDM-CYBMUJFWSA-N 309.362 2.571 0 50 DFAA biogenic,in-vitro Cn1ncc2c1ncn1nc([C@@H]3C[C@@H]3c3ccc(Cl)cc3)nc21 2802203 ZBKFHFYILDRZAF-VXGBXAGGSA-N 324.775 2.936 0 50 DFAA CC(=O)N[C@@H]1CN(c2ccncc2F)C[C@H]1c1ccc(C)cc1 77520004 QBMGYPOIBDDZQU-DOTOQJQBSA-N 313.376 2.638 0 50 DFAA CC(C)CCN1C[C@]2(CCCN(c3cnccn3)C2)CCC1=O 77339454 FEMNUTKEJDJQCD-GOSISDBHSA-N 316.449 2.732 0 50 DFAA CC(C)Cc1ncc(CN2CCC[C@@H](n3ccnn3)C2)s1 425358084 ZACSESBBBFTTQP-CYBMUJFWSA-N 305.451 2.770 0 50 DFAA c1ccc(CN(Cc2cccc3nonc23)C[C@H]2CCCO2)nc1 216325687 QYKIZIIDUUDSSU-MRXNPFEDSA-N 324.384 2.799 0 50 DFAA CCN(C(C)=O)[C@@H]1CCN(c2nccc(C3CCCC3)n2)C1 71735649 YVJGZHDIKIANLE-OAHLLOKOSA-N 302.422 2.581 0 50 DFAA Cc1cc(N(C)CCN(C)C2CCCC2)n2nc(C)cc2n1 72408618 HKGVWPIQUHNMPS-UHFFFAOYSA-N 301.438 2.657 0 50 DFAA C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCCOCC1 371956955 ZJETYSZUPJWMBI-GFCCVEGCSA-N 309.793 2.798 0 50 DFAA CCc1nnc(CN2CCC(O)(Cc3cccc(C)c3)CC2)o1 280657810 ZQWJMZYZKOPOIQ-UHFFFAOYSA-N 315.417 2.510 0 50 DFAA Cc1cnccc1CNC(=O)N1CCC(Cc2cccnc2)CC1 373554575 LSRJVHSVEXARSK-UHFFFAOYSA-N 324.428 2.949 0 50 DFAA CCN1CC[C@H](N(C)C(=O)Nc2ccnn2CC(C)C)[C@@H](C)C1 229845425 AOGPNVPHSVUWBT-GJZGRUSLSA-N 321.469 2.733 0 50 DFAA Cc1nn(C)c(C)c1CNC(=O)N1CCC[C@@H](C(F)(F)F)C1 173467228 GFHHEONFBUPNJQ-LLVKDONJSA-N 318.343 2.521 0 50 DFAA CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CN 44784102 KOFXBTGHKXIGKP-UHFFFAOYSA-N 314.229 2.641 0 50 DFAA Cc1ccc2[nH]c(CNC(=O)COc3ccccc3F)nc2c1 174903930 VBSBRRSAXCGJOS-UHFFFAOYSA-N 313.332 2.706 0 50 DFAA CC(C)(O)[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 221313355 NRLDWGWEWKIRPT-GFCCVEGCSA-N 315.335 2.867 0 50 DFAA CC(C)COc1ccccc1CN(C)C(=O)NCc1ncc[nH]1 426376307 KHTCLHYWOLTZGD-UHFFFAOYSA-N 316.405 2.786 0 50 DFAA Cn1cnc2cc(C(=O)NC[C@@H]3COc4ccccc4C3)ccc21 91651460 BGIXIQYSDLSMJQ-CYBMUJFWSA-N 321.380 2.554 0 50 DFAA Cc1ccccc1[C@@H](C(=O)NCCCc1ccncc1)N(C)C 95352298 ODNRWIJZQJAYIF-SFHVURJKSA-N 311.429 2.742 0 50 DFAA CCCc1cc(CNC(=O)[C@H](c2cccc(C)c2)N(C)C)on1 95389485 SQYITUJLRFJKDD-KRWDZBQOSA-N 315.417 2.855 0 50 DFAA O=C(c1cnc(-c2cccnc2)nc1)N1CCc2sccc2C1 95362225 QEMIOOOMDSVOFN-UHFFFAOYSA-N 322.393 2.799 0 50 DFAA C[C@@H](C(=O)N(CC1CCCCC1)c1ccccn1)n1cncn1 179285902 NVSIZINKSNNECI-AWEZNQCLSA-N 313.405 2.848 0 50 DFAA O=C1OC2(CCNCC2)CN1Cc1ccc(C(F)(F)F)cc1 95500658 PZHXPKFLYJJDIP-UHFFFAOYSA-N 314.307 2.780 0 50 DFAA O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccsn1 294966080 NXIYEMPIAPTGCQ-OCCSQVGLSA-N 306.362 2.932 0 50 DFAA O=C(CN1CCC[C@H]1c1cccnc1)NCC1CCCCC1 346972900 NUQDMBXTGTUVOG-KRWDZBQOSA-N 301.434 2.915 0 50 DFAA C[C@H](N[C@H](C)c1nccn1C)c1cccc(N2CCCC2=O)c1 182625989 RSFVZSXQOFAWBO-UONOGXRCSA-N 312.417 2.959 0 50 DFAA CC[C@@](C)(CCNC(=O)Cn1ccnc1)c1ccccc1OC 534580357 AVXWYJQARYQXDP-SFHVURJKSA-N 315.417 2.766 0 50 DFAA COc1ccc(-c2cc(CNC(=O)[C@@H]3CCCCO3)no2)cc1 299779692 SKNZDVQCYWBIKC-HNNXBMFYSA-N 316.357 2.536 0 50 DFAA O=C(c1ccnc(Cl)c1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O 1324560363 AMYOXTQGPUYMLJ-MJBXVCDLSA-N 308.809 2.891 0 50 DFAA COc1ccc(-n2nc(C)nc2Cc2csc(C)n2)cc1 670461931 NSLQTBQNTAPECE-UHFFFAOYSA-N 300.387 2.940 0 50 DFAA CC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)c(O)c1 584897737 PBIBDLDHYYYTPM-STQMWFEESA-N 302.374 2.613 0 50 DFAA CCCc1cnc(C)nc1NC[C@@H]1CCCN(CCOC)C1 952967605 BUTWTBPXVQVQDU-HNNXBMFYSA-N 306.454 2.508 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@]1(O)C1CC1 1565513740 QTCZWNYMBLAAIK-ZUZCIYMTSA-N 313.319 2.938 0 50 DFAA O=C(c1ccc[nH]1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 304211708 AKMCQJMKJKLQOI-INIZCTEOSA-N 302.349 2.740 0 50 DFAA C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccnc1S 163949330 CKAXEGGQHFTHKG-FZMZJTMJSA-N 302.399 2.612 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N(C)C[C@@H]1CCCN1C 408521792 INFZBRRHGISNOA-GJZGRUSLSA-N 304.434 2.741 0 50 DFAA O=S(=O)(Cc1noc2ccccc12)N1CCC[C@@H]1C1CCC1 185760441 MVRVYEKJXLIMTR-OAHLLOKOSA-N 320.414 2.922 0 50 DFAA Cc1nscc1C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 272694820 HDYYZMNWIYYDIK-LLVKDONJSA-N 318.402 2.732 0 50 DFAA COCc1nc(C)cc(N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 585092731 LRIFRLPEPDWHJQ-ARFHVFGLSA-N 319.449 2.841 0 50 DFAA CC(C)c1noc(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1 274139991 DCUBWPXLVSYMHC-AWEZNQCLSA-N 315.373 2.901 0 50 DFAA O=C(COC[C@H]1CCCO1)Nc1cnc(Cl)cc1Cl 585124607 JIJYWDNSICYSTG-MRVPVSSYSA-N 305.161 2.523 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2CCCC3(CCOCC3)C2)c1 634691440 HDDKTUWDSVIGOG-INIZCTEOSA-N 319.401 2.714 0 50 DFAA CN(C)c1ccccc1N(C)Cc1noc(C2CCOCC2)n1 170055004 PNEGEYBARAPVGS-UHFFFAOYSA-N 316.405 2.666 0 50 DFAA Cc1nc2n(c1C)CCN(C(=O)c1cccc3ccncc13)C2 648791254 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O=C(Nc1ccccn1)c1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1 1875384653 HZHMRJGGXMSZJC-AOMKIAJQSA-N 323.396 2.807 0 50 DFAA COc1ccc2nccc(N3CCC(Cn4cncn4)CC3)c2c1 893265558 KDLCIMBVBPLJOD-UHFFFAOYSA-N 323.400 2.752 0 50 DFAA CC(C)CN(CC(C)(C)C)C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O 2325740507 CIQFOFKBMSRRGI-QWHCGFSZSA-N 320.499 2.522 0 50 DFAA CC[C@H](NCc1c2c(nn1C)CCOC2)[C@H]1C[C@H]2CC[C@H]1C2 2325783952 NTKUVVFMGGDDIT-YXWQFLTLSA-N 303.450 2.797 0 50 DFAA C[C@@H](N[C@H]1CCCC(=O)N(C)C1)c1cccc(-n2cccn2)c1 2325801547 MWDLEXLJXFCEEI-ZBFHGGJFSA-N 312.417 2.534 0 50 DFAA CC1=NN(C(=O)c2ccccc2Cl)[C@](O)(C(F)(F)F)C1 108331 RFMFAGPUDLFGPV-LLVKDONJSA-N 306.671 2.813 0 50 DFAA CC(C)CC(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 558329 AFEDQEXUWFMJMM-UHFFFAOYSA-N 301.375 2.837 0 50 DFAA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 2828489 OKNHZUVGOSTHIJ-UHFFFAOYSA-N 322.386 2.610 0 50 DFAA CN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 3105596 QXPDJSVDGFBFHL-UHFFFAOYSA-N 308.337 2.617 0 50 DFAA O=S(=O)(NCc1ccncc1)c1ccc(Cl)cc1Cl 4414308 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CC(C)Oc1cncc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1 332312911 JZQDBNRJLWKWSB-CYBMUJFWSA-N 314.389 2.612 0 50 DFAA O=C1COc2cccnc2N1Cc1cncn1C1CCCCC1 95362667 ZOOLTLHVFZCARE-UHFFFAOYSA-N 312.373 2.709 0 50 DFAA Cc1[nH]nc(CN2CCC[C@H](C(=O)c3ccccn3)C2)c1Cl 97295360 BAXYUGHZZPZORB-LBPRGKRZSA-N 318.808 2.861 0 50 DFAA CONC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 162721979 GYMJWVZBSFZZQT-HNNXBMFYSA-N 310.357 2.523 0 50 DFAA CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 245231824 JVCWLPHGDRCCOH-CVPVQDPWSA-N 309.365 2.643 0 50 DFAA COCCN(CC(=O)N1CCCCC1)Cc1ccc(C)s1 243956931 CENJLCRIPQPTEM-UHFFFAOYSA-N 310.463 2.517 0 50 DFAA CC(C)[C@@H](NC(=O)c1c[nH]c(C(F)(F)F)c1)c1ncon1 295333055 MAYFTFKCIJYOBJ-SECBINFHSA-N 302.256 2.544 0 50 DFAA O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(O)c1 182228938 CRBSGBDDTDDCHV-UHFFFAOYSA-N 311.316 2.647 0 50 DFAA Cc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)on1 299742541 JZCVFXBLLMNTHW-WFASDCNBSA-N 304.321 2.630 0 50 DFAA Cc1nnc(NC2CCN(C(=O)C3CC3)CC2)c2ccccc12 534590177 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Cc1cc(NC(=O)N2CCC=C(F)C2)n(-c2ccccn2)n1 273908021 AEEUQCNYQNAXCE-UHFFFAOYSA-N 301.325 2.667 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1csc(C2CC2)n1 170002832 UQGHEBSEVCFABL-JLLWLGSASA-N 320.414 2.865 0 50 DFAA CO[C@H]1CCCCC[C@H]1NC(=O)N[C@H]1CCCCC[C@H]1OC 170653049 LROUKZASBSIMHF-SYMSYNOKSA-N 312.454 2.981 0 50 DFAA Cc1ccc2occ(CC(=O)N3C[C@H]4[C@H](N)CCC[C@H]4C3)c2c1 638164272 KGIVMHRQVPTIBP-IAOVAPTHSA-N 312.413 2.870 0 50 DFAA O=C(Nc1ncn(C2CCCCC2)n1)c1cn2ccnc2s1 188790372 KQAZLQPHZUWCKB-UHFFFAOYSA-N 316.390 2.745 0 50 DFAA COc1ccc(F)cc1CNC(=O)[C@@H]1COc2ccccc21 189343357 YJDUKYSFGAYCIY-CQSZACIVSA-N 301.317 2.627 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1cc(C2CCCC2)nn1C 189486316 DKHXGEOTUGGGCQ-UHFFFAOYSA-N 301.394 2.599 0 50 DFAA CCC[C@@]1(COC)CCCN1C(=O)NCc1ncccc1C 193737426 SDCPDPMSXJYOEN-KRWDZBQOSA-N 305.422 2.881 0 50 DFAA O=C(NCCc1cscn1)NCc1ccc2ncccc2c1 194262047 UVFZFCMEDRKXGB-UHFFFAOYSA-N 312.398 2.733 0 50 DFAA CC(C)CS(=O)(=O)Cc1ccn(-c2ccc(F)cc2F)n1 195580422 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COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1F 237357243 OAMSXYLGIMAFFZ-NSHDSACASA-N 309.337 2.551 0 50 DFAA O[C@H](CN1CCCN(c2ccccn2)CC1)C1CCCCC1 249143997 WNVPPQOKRKXCOM-QGZVFWFLSA-N 303.450 2.535 0 50 DFAA Cc1cc(F)ccc1CNCc1ccncc1O[C@H]1CCNC1 904452004 FZGVAHLCEMDJGJ-KRWDZBQOSA-N 315.392 2.560 0 50 DFAA Cc1cn2nc(N[C@H]3CCN(CC4CC(F)(F)C4)C3)ccc2n1 852081907 VUOKFOAAARHHPG-ZDUSSCGKSA-N 321.375 2.569 0 50 DFAA Cc1nccn1[C@@H]1CCCN(c2cc(O)nc3cccnc23)C1 853287662 PILMITJKBQJZNY-CYBMUJFWSA-N 309.373 2.682 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 873281406 IOZGWAFWIVBUMF-ZUZCIYMTSA-N 318.352 2.810 0 50 DFAA C[C@H](ONC(=O)[C@H]1C[C@H](c2ccccc2)CO1)c1ccncc1 1875297937 IZEVKIJCSAAJRS-RRQGHBQHSA-N 312.369 2.763 0 50 DFAA Cc1ccc(-c2cccc(NC(=O)[C@H]3CCN(C)C(=O)C3)n2)cc1 886983282 SIMNIUUYHPOREA-HNNXBMFYSA-N 323.396 2.864 0 50 DFAA Cc1cc(CN[C@@H](C)Cn2ncc3ccccc3c2=O)cc(C)n1 1308335788 WZMWIIXBLKCJPX-HNNXBMFYSA-N 322.412 2.587 0 50 DFAA Cc1ccc2oc(C(=O)N3CCOC[C@@]3(C)C3CC3)cc2n1 890582540 IUJYUAYZTYGWLR-KRWDZBQOSA-N 300.358 2.777 0 50 DFAA C[C@@H](CN(C)C(=O)NC[C@@H]1CNCCC1(F)F)C(C)(C)C 2325761957 FIHROEKACMHNQC-RYUDHWBXSA-N 305.413 2.555 0 50 DFAA CCCC[C@@H](C(N)=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 2325763667 ZRXCKPZFNYNTPA-CJNGLKHVSA-N 314.433 2.786 0 50 DFAA O=C(O)[C@]1(n2ncc(C3CC3)n2)CCC[C@H](c2cccnc2)C1 2325789437 QAVFQYYYOJXCDG-GUYCJALGSA-N 312.373 2.688 0 50 DFAA Cc1nn2c(C(=O)NC[C@H]3CCC[C@H]3C3CC3)c(C)nc2s1 2325791562 QFFOPOXVAOZIOA-OLZOCXBDSA-N 318.446 2.964 0 50 DFAA COc1ncc(Cl)c(C)c1C(=O)N=c1cc(C(C)C)o[nH]1 2325805781 XDEXFAZAYVSHNW-UHFFFAOYSA-N 309.753 2.838 0 50 DFAA NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 209524 JBEUBATVQBGMMP-UHFFFAOYSA-N 306.247 2.514 0 50 DFAA O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 374145 AWPNPQJKGCNRIH-UHFFFAOYSA-N 322.408 2.969 0 50 DFAA O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 568436 KATYZVRIPDDXDG-UHFFFAOYSA-N 321.130 2.825 0 50 DFAA Cc1ccc(N(C(=O)CC(C)C)[C@H]2C=CS(=O)(=O)C2)cc1 2836271 LBOXEAIJEGBSNX-HNNXBMFYSA-N 307.415 2.685 0 50 DFAA C[C@H](CNC(=O)c1cccc(F)c1)NC(=O)c1cccc(F)c1 3066250 VFOQIULVNZEUKM-LLVKDONJSA-N 318.323 2.513 0 50 DFAA COc1ccc(CCC(=O)Nc2nnc(C3CC3)s2)cc1 3325410 BXHCXCFTJAAXME-UHFFFAOYSA-N 303.387 2.995 0 50 DFAA Cc1ccccc1OCCn1c(CNC=O)nc2ccccc21 4810282 LTRWZXATXCDFAT-UHFFFAOYSA-N 309.369 2.670 0 50 DFAA CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccccc1 4834489 MMBXDQBLEZSESV-UHFFFAOYSA-N 317.410 2.509 0 50 DFAA Cc1cccc(CCCNC(=O)[C@H]2COc3ccccc3O2)c1 10110719 VIQZRQOHNYECJW-GOSISDBHSA-N 311.381 2.884 0 50 DFAA CC[C@@H](C)n1nccc1NC(=O)COc1ccccc1OC 55271858 OYJKCLIQWULASY-GFCCVEGCSA-N 303.362 2.880 0 50 DFAA Cc1cc(N(C[C@@H](C)O)C[C@@H](C)O)nc2cc(Cl)ccc12 23634669 ULWRXWLVWJGHKL-VXGBXAGGSA-N 308.809 2.765 0 50 DFAA C[C@@H](Sc1ccccn1)C(=O)NCCCc1ccccn1 178605712 IWEQDSZVABXGBO-CYBMUJFWSA-N 301.415 2.706 0 50 DFAA CCOC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 20167656 RWZBQETTXQBCQZ-UHFFFAOYSA-N 312.413 2.521 0 50 DFAA O=C(Nc1cccc(F)c1)c1nc(CCc2ccccc2)n[nH]1 67822042 ONNCYMGNIVWVCT-UHFFFAOYSA-N 310.332 2.981 0 50 DFAA COc1cccc2c1nc(-c1n[nH]c3cc(C(=O)O)ccc13)n2C 349055378 RQCJZJCLPXFENM-UHFFFAOYSA-N 322.324 2.823 0 50 DFAA CC(C)(C)c1cccc(OCCOCCN2CCOCC2)c1 20653162 HCCNOHGCECSGMZ-UHFFFAOYSA-N 307.434 2.712 0 50 DFAA CCO[C@H](C)c1nc(Cn2c(C)nn(C(C)C)c2=O)cs1 351778538 UNAAMGPJYDBZFM-SNVBAGLBSA-N 310.423 2.536 0 50 DFAA CC(=O)Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1 2850382 NXOFGVAYRFWCIB-UHFFFAOYSA-N 324.380 2.713 0 50 DFAA Cc1ccc(NC(=O)NCc2ccc(OC(F)F)cn2)cn1 252478735 AUADNEGAQJPGKC-UHFFFAOYSA-N 308.288 2.708 0 50 DFAA O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)[C@@H]1CCCNC1 119388543 BVIKFAWUCOYIHV-CYBMUJFWSA-N 318.808 2.523 0 50 DFAA C[C@@H](O)CN1C(=O)CS[C@H]1c1cccc(C(F)(F)F)c1 4110155 QRRWNECGAUWZFU-PELKAZGASA-N 305.321 2.660 0 50 DFAA Cc1ccc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)s1 39371684 QEIJCJOFZZTQRO-OAHLLOKOSA-N 310.507 2.971 0 50 DFAA CC[C@@H]1CN(c2nccc(C)n2)CCC(=O)N1Cc1ccccc1 71735921 QEIQBQYSDXDAMV-QGZVFWFLSA-N 324.428 2.803 0 50 DFAA Fc1cnc(N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)nc1 253630274 VLIRVDMRZXYCIL-CYBMUJFWSA-N 324.363 2.785 0 50 DFAA Cc1cc(C)n([C@H](C)CNC(=O)c2ccc3nc(C)oc3c2)n1 215891652 HBXRLXHIOYJSGF-GFCCVEGCSA-N 312.373 2.941 0 50 DFAA Cc1noc(Cl)c1CC(=O)N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 367102985 XYZHVJJZEZMLOV-MQIPJXDCSA-N 324.808 2.597 0 50 DFAA O=C(OC[C@@H]1CCCCN1C(=O)C(F)(F)F)N1CCCCC1 367349431 SBYQNOJTRWNMCZ-NSHDSACASA-N 322.327 2.552 0 50 DFAA Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]1C1CC1 452483916 CCESIRHLMBKAHA-CQSZACIVSA-N 305.328 2.634 0 50 DFAA C[C@@H](c1cccc(-c2cc(N(C)C)nc(N)n2)c1)N1CCCC1 215904321 VLZCASFANNVUTH-ZDUSSCGKSA-N 311.433 2.949 0 50 DFAA COc1ccc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)cc1F 371311604 XVLBOLLZSJMLFS-OAHLLOKOSA-N 319.380 2.748 0 50 DFAA CN1CC[C@@H](CNC(=O)c2cc[nH]c2C2CC2)[C@@H]1c1cccnc1 376092208 LOGGKEWWZTYFQR-YJBOKZPZSA-N 324.428 2.710 0 50 DFAA CN(C(=O)c1cc(-c2ccncc2)n[nH]1)C1Cc2ccccc2C1 71764117 WYHKOJWOLNDKNQ-UHFFFAOYSA-N 318.380 2.711 0 50 DFAA CCn1nc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cc1C 72418497 YWWMDJABJCKAGA-UHFFFAOYSA-N 323.400 2.669 0 50 DFAA CN(Cc1ccc(N(C)C)nc1)C[C@@H]1Cc2ccccc2CN1C 72156161 IVCCBOGWZCUQSB-IBGZPJMESA-N 324.472 2.636 0 50 DFAA CC1(C)CNCC[C@@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 449700538 UDHAYWFQTQRNJW-HNNXBMFYSA-N 318.465 2.633 0 50 DFAA COc1cccc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 172780181 JUUATYGRKVJQEY-SUMWQHHRSA-N 324.380 2.619 0 50 DFAA CCc1cnccc1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC 285126589 NVIZVBXTPKSZIG-UKRRQHHQSA-N 314.389 2.577 0 50 DFAA O=C(CCc1ccc(-c2cccs2)o1)NC[C@@H]1C[C@H](F)CN1 82120893 QCGPQFXCIYCMKF-RYUDHWBXSA-N 322.405 2.757 0 50 DFAA Cc1[nH]nc(C(=O)N2CCC(Cc3cccnc3)CC2)c1Cl 426369405 UJQUWHBYAWSVPX-UHFFFAOYSA-N 318.808 2.861 0 50 DFAA Cc1nonc1[C@@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1 92046879 FJCOHURSGAAQFF-AWEZNQCLSA-N 315.348 2.912 0 50 DFAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2ccnn2C)cc1 20602655 AGCISDMDTHIQAJ-CYBMUJFWSA-N 321.446 2.754 0 50 DFAA CCCc1cc(C(=O)N2CCO[C@H](c3ccccc3)C2)no1 20865870 VSMYXERXYJICIV-INIZCTEOSA-N 300.358 2.841 0 50 DFAA COc1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c(OC)n1 426503747 XIKVSPCDRVTFCS-UHFFFAOYSA-N 315.373 2.720 0 50 DFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2ccncc2C)cc1F 95374829 FNTAYHZNVFPCDJ-INIZCTEOSA-N 318.348 2.795 0 50 DFAA Cc1noc2ncnc(NCCc3noc(-c4ccccc4)n3)c12 95379481 PPYQIOHFRUCIBM-UHFFFAOYSA-N 322.328 2.631 0 50 DFAA NCc1ccc(C(F)(F)F)cc1I 238677520 MKPBENGEXUKOMY-UHFFFAOYSA-N 301.049 2.769 0 50 DFAA Cc1cnn(CCCN2CCC[C@H](OCc3ccccn3)C2)c1 244741866 NYDXCYBCLOZBGS-SFHVURJKSA-N 314.433 2.658 0 50 DFAA Cc1csc(C(=O)N2CC[C@H](OC(=O)N(C)C)C2)c1Cl 295588717 WHCOWZZVCUBONJ-VIFPVBQESA-N 316.810 2.623 0 50 DFAA Cc1ccc(C)n1CC(=O)Nc1nc(-c2cccs2)n[nH]1 253410673 NOVRONXZSLQQJM-UHFFFAOYSA-N 301.375 2.590 0 50 DFAA Cc1ccc2nc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)cn2c1 299742151 HXPGADAQXCRHQG-KBMXLJTQSA-N 313.401 2.860 0 50 DFAA CNC[C@@H]1CCN(C(=O)COc2cc(C(C)C)ccc2C)C1 299739632 QTGBRXZZXJHBCI-HNNXBMFYSA-N 304.434 2.565 0 50 DFAA CC[C@@H]1C(=O)Nc2c(sc3nc(C)cc(C)c23)C(=O)N1C 534655168 CCSUZWJNWAAGDM-SECBINFHSA-N 303.387 2.716 0 50 DFAA Cc1cnn(CCNC(=O)[C@@]2(c3cccs3)CC2(C)C)c1 534590027 QUVAKJXKFGHGFL-INIZCTEOSA-N 303.431 2.737 0 50 DFAA Cc1cc2nc(CN(C)C(=O)[C@]3(C)CCCO3)[nH]c2cc1C 299798211 WMQJUFVMHWWETB-KRWDZBQOSA-N 301.390 2.707 0 50 DFAA Cc1nc([C@H](C)NS(=O)(=O)N2CCCCCC2)c(C)s1 822276769 GNNJSDMXGKDJOK-JTQLQIEISA-N 317.480 2.531 0 50 DFAA OCC[C@H](CN[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 585134894 OIANEYHZGCFXAG-QRVBRYPASA-N 302.462 2.759 0 50 DFAA CO[C@@H]1COC[C@@H]1Nc1nc(-c2cccnc2)nc2ccccc12 840349787 JDKOMOYNEFMRAO-JKSUJKDBSA-N 322.368 2.518 0 50 DFAA C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H](C(=O)O)C1(C)C 400208853 ASHSSNFSRZCPKS-DDTOSNHZSA-N 306.362 2.820 0 50 DFAA CCOc1ccc(N(CC)C(=O)C2CCN(OC)CC2)cc1 630712068 VALFBPZEKNUYQY-UHFFFAOYSA-N 306.406 2.712 0 50 DFAA Cc1[nH]c2ccccc2c1NC(=O)[C@H](C)OC[C@H]1CCCO1 585127248 UPNCGUALCAEWPI-QWHCGFSZSA-N 302.374 2.999 0 50 DFAA CC(=O)C[C@@H]1COCCN1CCCSCc1ccccc1 170607236 BZXYQVVMUTVDKV-QGZVFWFLSA-N 307.459 2.990 0 50 DFAA Nc1cccc2c(N3CCC(Nc4cccnn4)CC3)nccc12 663552006 QIDRLSJQWMOPPD-UHFFFAOYSA-N 320.400 2.688 0 50 DFAA CCOC1CCN(c2nc3ccc(OC)cc3nc2C)CC1 645033468 QOLHFZTZCPMJGI-UHFFFAOYSA-N 301.390 2.952 0 50 DFAA Cc1ncc(CN(CCCO)[C@H]2CCCc3ccccc32)n1C 667676570 SYPJKNZUOIJIFM-IBGZPJMESA-N 313.445 2.991 0 50 DFAA Cc1cc(C)n2ncc(-c3noc([C@@H]4CCOC[C@H]4C)n3)c2n1 194882207 JYPFPSSCDAPCIC-BXKDBHETSA-N 313.361 2.536 0 50 DFAA C[C@]1(CNCc2ccnn2-c2ccncc2)CCO[C@H]1C1CC1 657438336 OZWKRNZSJZQJFX-ZWKOTPCHSA-N 312.417 2.562 0 50 DFAA CC(C)CN(Cc1ccccn1)C(=O)N[C@@H]1CC12CCOCC2 1615615964 VQJNTKAOKSEISG-MRXNPFEDSA-N 317.433 2.818 0 50 DFAA C[C@H](c1nccs1)N(C)Cc1ccc(S(C)(=O)=O)cc1 216228169 RCCGRXQSXHWHSC-LLVKDONJSA-N 310.444 2.740 0 50 DFAA CN(Cc1cc(-c2ccccn2)no1)c1ncc(Cl)cn1 1529152975 NYEIAESPMJDARU-UHFFFAOYSA-N 301.737 2.816 0 50 DFAA O[C@@H](CNC1CCCC1)COc1ccccc1Br 5068994 GDXRSRCPMBCPJQ-LBPRGKRZSA-N 314.223 2.721 0 50 DFAA COC(=O)CNC(=O)C[C@@H](c1ccccc1)c1ccccc1C 12708033 QSJWPQZHXNXALN-KRWDZBQOSA-N 311.381 2.806 0 50 DFAA O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)n2c(nc3ccccc32)N1 13123866 ICAISFJGTSPGIP-ZDUSSCGKSA-N 324.315 2.639 0 50 DFAA aggregator CC(C)(C)OC(=O)Nc1ccn2nc(Br)nc2c1 168102485 JRZKQXJJQXAXGN-UHFFFAOYSA-N 313.155 2.839 0 50 DFAA N[C@H]1CN(Cc2ncccc2Cl)C[C@@H]1c1cccc(F)c1 1857530058 GHOCHELAWSEQQS-HIFRSBDPSA-N 305.784 2.801 0 50 DFAA CC/C=C(/CN1C[C@@H]2CCOC[C@]2(CO)C1)c1ccccc1 1857669248 PFIVFXFLRWUQFN-GKDDVIJISA-N 301.430 2.811 0 50 DFAA Cc1nccc(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)n1 1857706082 JIIILZOOFZJXNC-UHFFFAOYSA-N 319.412 2.776 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)Cc1cccc(C(F)(F)F)c1 237396930 MQHJZEUHNSQBCA-ZWNOBZJWSA-N 300.324 2.586 0 50 DFAA CC1(C)[C@H](CNC(=O)CCc2ccc(C(=O)O)cc2)C1(F)F 659223796 UKQASFGTMVQRAF-LBPRGKRZSA-N 311.328 2.725 0 50 DFAA Cc1nc(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)s1 133785683 MHLSJHCZRZBBKI-CQSZACIVSA-N 304.419 2.779 0 50 DFAA Cc1ccsc1CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C 252474343 BGVZZKMDONELBK-MCIONIFRSA-N 320.458 2.710 0 50 DFAA CCNC(=O)C[C@@H]1CCCCN1Cc1nc2ccc(F)cc2o1 585081368 NURLPLCVVPXTJY-ZDUSSCGKSA-N 319.380 2.848 0 50 DFAA CCc1cc(N2CCC(NCc3occc3C)CC2)ncn1 267118053 SQTWSSYBSMAWBT-UHFFFAOYSA-N 300.406 2.699 0 50 DFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1ccccc1N1CCCCC1 905075536 WTYDAAAAVUPJKI-MRXNPFEDSA-N 315.417 2.626 0 50 DFAA COc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)ncn1 822006789 VAHWPSAOSKSSCI-AWEZNQCLSA-N 319.311 2.741 0 50 DFAA CC(C)c1cccc(NC(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1 929335613 WSECBFHZJTXLNC-HZPDHXFCSA-N 315.417 2.895 0 50 DFAA CCc1onc(C)c1NC(=O)N1CCn2nc(C3CC3)cc2C1 930574147 QWGOANQTBFCINM-UHFFFAOYSA-N 315.377 2.667 0 50 DFAA CC(C)(C)OC(=O)[C@@H](c1nc(Cc2cccnc2)no1)C1CC1 952964867 XPFOOYLCCVFKIT-CQSZACIVSA-N 315.373 2.891 0 50 DFAA O=C(c1ccoc1)N1CCC(NCc2cccn2C(F)F)CC1 1875285569 QXVCIXUIEXKOJV-UHFFFAOYSA-N 323.343 2.871 0 50 DFAA Cc1[nH]nc2ccc(C(=O)N(C)Cc3nccn3C(C)C)cc12 1875297442 QFWMGCOKAFBQQE-UHFFFAOYSA-N 311.389 2.921 0 50 DFAA Cc1ccc([C@]23C[C@H]2CN(S(=O)(=O)[C@]2(C)C[C@H]2C)C3)cc1 1875396759 UMDQVMAFXFGSRM-XLNGHYISSA-N 305.443 2.697 0 50 DFAA O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1cnnc2ccccc12 888092837 KGWCSLHDPZWGMU-CHWSQXEVSA-N 307.300 2.520 0 50 DFAA CN[C@H](Cc1ccc(F)cc1F)c1cn(C[C@@H]2CC23CC3)nn1 2325777187 LECCVQFFMROYNJ-SWLSCSKDSA-N 318.371 2.860 0 50 DFAA Cc1cccn2c(CN[C@H](C)c3ccc(N(C)C)nc3)cnc12 2325807264 MFRADIWNTVTOIZ-CQSZACIVSA-N 309.417 2.955 0 50 DFAA COC(=O)c1c(OC)c(C)c(OCC=C(C)C)c2c1[C@H](O)OC2 2332918061 DJFCDZUAMDWFPX-QGZVFWFLSA-N 322.357 2.656 0 50 DFAA Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 130100 NTAOUIIDZHRJHI-UHFFFAOYSA-N 309.369 2.609 0 50 DFAA aggregator O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(F)cc2)N1 187301 KUJITIQQDMJFKR-HZPDHXFCSA-N 310.328 2.995 0 50 DFAA biogenic O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccco1 470296 QIIYVDZULJETMK-UHFFFAOYSA-N 304.415 2.709 0 50 DFAA CCCc1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1Cl)C2 2356159558 GWUJXGJODFDLCP-NSHDSACASA-N 318.808 2.987 0 50 DFAA COC(=O)c1ccc(NC(=O)CC[C@@H](CC(C)C)C(=O)O)cc1 4828585 FAUFEYUEVKBHAS-ZDUSSCGKSA-N 321.373 2.939 0 50 DFAA CCCCC(=O)Nc1ccc(I)cn1 4842702 XCYYARPRLSEJPE-UHFFFAOYSA-N 304.131 2.815 0 50 DFAA COc1cc(/C=C2/[C@H](O)C3CCN2CC3)cc(Cl)c1OC 4869950 KBAIITFVWXNVSH-JEMSNHSXSA-N 309.793 2.785 0 50 DFAA COc1ccc(CNC(=O)NC(=O)c2ccc(Cl)cc2)cc1 6700715 CBXPEDNUUQFUHZ-UHFFFAOYSA-N 318.760 2.988 0 50 DFAA CCC(CC)n1nc(C)cc1NC(=O)[C@@H](N)Cc1cscn1 55133214 JYANEKRNZLXZDW-ZDUSSCGKSA-N 321.450 2.518 0 50 DFAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2ncn[nH]2)c1 55224669 LWFJSYKZFKZTIF-UHFFFAOYSA-N 321.340 2.618 0 50 DFAA CN(CCCNC(=O)C1CCC1)C(=O)c1cccc2cc[nH]c12 225449059 BGHXQQVUKRABKH-UHFFFAOYSA-N 313.401 2.546 0 50 DFAA CC(C)(C)OC(=O)CN(C[C@@H](O)c1ccc(F)cc1)C1CC1 225401459 GNESEOINGZQWPM-OAHLLOKOSA-N 309.381 2.665 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1 20279303 MALKSKQQPJCIAB-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA OCc1nc2ccccc2n1-c1ccc(O)c(-c2ccno2)c1 65488890 ZTBPBCAABFCNTQ-UHFFFAOYSA-N 307.309 2.878 0 50 DFAA O=C(c1coc(COc2cccc(F)c2F)n1)N1CCCCO1 15064652 YCWMXVVBYDLPBL-UHFFFAOYSA-N 324.283 2.699 0 50 DFAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](C(=O)O)C1 136167149 UXXGHWIGMAGPRH-GXTWGEPZSA-N 307.365 2.718 0 50 DFAA CCOC(=O)N1CCC(N[C@@H](C)c2cn3ccsc3n2)CC1 65507507 CRHDTYIWEPHJEZ-NSHDSACASA-N 322.434 2.667 0 50 DFAA C[C@@H](C(=O)NCCOc1ccccc1)n1cnc2ccccc21 30647388 IKQDJKOCRLXDMB-AWEZNQCLSA-N 309.369 2.793 0 50 DFAA CC(C)(O)CCc1ccc(C(=O)N2CCCCC[C@H]2CO)cc1 72424402 SVJGUBBTBFTGMW-KRWDZBQOSA-N 319.445 2.767 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)no1 215333331 XHZBGRUTZVEWER-GFCCVEGCSA-N 302.378 2.551 0 50 DFAA CCC(CC)N(C(=O)[C@H](C)S(C)(=O)=O)c1cccc(C)c1 279456440 CHEAOKDXLVHMNY-ZDUSSCGKSA-N 311.447 2.950 0 50 DFAA COc1cc(C)sc1C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 154187867 FBQVIMAFKOGNEP-CHWSQXEVSA-N 308.447 2.621 0 50 DFAA Cn1cc(C[C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)cn1 361407481 YDYUSUCENVRLFX-CQSZACIVSA-N 322.412 2.535 0 50 DFAA CC(C)(C(=O)N1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 71589492 DZAIDYKIBMSPSU-GFCCVEGCSA-N 301.308 2.754 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)Nc2ccccc2CC(=O)O)n1 262478473 KGRTXMPCWDQNTL-CYBMUJFWSA-N 315.373 2.717 0 50 DFAA c1cc(-c2noc(-c3ccn([C@@H]4CCCNC4)n3)n2)cs1 261781690 NWTUMNCLBLPEKV-LLVKDONJSA-N 301.375 2.586 0 50 DFAA O=C(c1c[nH]nc1C1CC1)N1CC[C@H](n2cc3ccccc3n2)C1 372762137 DKARUCFTBVYXEE-AWEZNQCLSA-N 321.384 2.724 0 50 DFAA Cc1cccc(CCCNc2cc(C3CC(N)C3)nc(N)n2)c1 219524022 ZDQUSXIECCWWOA-UHFFFAOYSA-N 311.433 2.617 0 50 DFAA COc1ccccc1O[C@@H]1CCCN(C(=O)C2=COCCC2)C1 376483580 FLTGNSJAPYSFLG-OAHLLOKOSA-N 317.385 2.759 0 50 DFAA CNC[C@H]1CCCN(C(=O)CCCOc2ccccc2C)C1 159091986 VLWFSTZZBYCCEP-MRXNPFEDSA-N 304.434 2.612 0 50 DFAA CC(C)(C)n1nnnc1S[C@H]1CCN(Cc2ccccc2)C1 241132807 JLUSASIFPFIYCW-AWEZNQCLSA-N 317.462 2.795 0 50 DFAA CC(C)c1cc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)nn1C 173405429 PLQYCRZNHFCYSC-CYBMUJFWSA-N 317.364 2.936 0 50 DFAA CC(C)(O)[C@@H]1CCCN(Cc2cnc(O)c3ccccc23)C1 1413049972 FWDNYOFMFKJKFC-CQSZACIVSA-N 300.402 2.923 0 50 DFAA O=C1CCc2cc(-c3cccc(C(=O)N4CC[C@@H](O)C4)c3)ccc21 426441692 CFZRBIURJZZKJN-QGZVFWFLSA-N 321.376 2.689 0 50 DFAA O[C@@H](CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1F 287570577 BTQPQWQWQCONJE-YJBOKZPZSA-N 316.376 2.545 0 50 DFAA O=C1CN(Cc2c(F)cccc2F)CCN1c1ccccc1 82120164 ZYBFMECXITWVRW-UHFFFAOYSA-N 302.324 2.814 0 50 DFAA O=C1CCCCCCCN1CC(=O)N1Cc2ccccc2C1 95529772 QVVPGHHQWQTMLZ-UHFFFAOYSA-N 300.402 2.712 0 50 DFAA O=C(c1nc(Cl)cs1)N1CC[C@](CO)(c2ccccc2)C1 291189443 LGUYDHBCHRWFLD-HNNXBMFYSA-N 322.817 2.573 0 50 DFAA O=C1NCC[C@H]1N1CCC(Sc2ccc(Cl)cc2)CC1 179167606 NVAZTNVATZHRPO-CQSZACIVSA-N 310.850 2.785 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@@H]1[C@@H]3C[C@H](O)C[C@@]3(C)CC[C@H]12 257357997 REVXZRCVOUBLKK-NRYVWNMXSA-N 306.446 2.930 0 50 DFAA CSCCC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 181810281 QXQHTLJMHWDXKT-OCCSQVGLSA-N 301.358 2.664 0 50 DFAA COc1ccc(CCCCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 299745230 WWIYKFOIINWQKG-OAHLLOKOSA-N 319.401 2.731 0 50 DFAA CC(C)Cc1noc([C@H](C)NC(=O)N(C)CC(F)(F)F)n1 534656840 GFWXRPYSCUOZKH-QMMMGPOBSA-N 308.304 2.533 0 50 DFAA CCc1cccc(NC(=O)CN2CCC[C@H]2c2noc(C)n2)c1 363841934 DIWKASDPISHVAT-HNNXBMFYSA-N 314.389 2.716 0 50 DFAA CCN(C[C@@H]1CCCCO1)C(=O)c1nn(C)c2ccccc12 299765867 COWPWECTQURDAP-ZDUSSCGKSA-N 301.390 2.605 0 50 DFAA Cc1cccc(N2CC[C@@H](CNC(=O)CCn3cccc3)C2)c1 299801780 XSGDFTNSBKVNJV-KRWDZBQOSA-N 311.429 2.829 0 50 DFAA Cc1cc(F)ccc1N1CCC(NC[C@@H]2CCCN2C)CC1 584896259 QJVPJQWVAWCBTP-KRWDZBQOSA-N 305.441 2.787 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCCCn2nc(C)c(C)c2C)n1 670434045 BTWPEHYQUZSDFG-CYBMUJFWSA-N 303.454 2.690 0 50 DFAA CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccn(C)n1 274870094 VOEILNAIOXMTBW-UHFFFAOYSA-N 312.295 2.514 0 50 DFAA Cc1nnc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)s1 277291211 ZNCSGKRSGVYNMF-OAHLLOKOSA-N 318.446 2.550 0 50 DFAA COC[C@@H](C)[C@@H](C)NCc1nnc2ccc(C(F)(F)F)cn12 170070024 RATLRTSDBDMMOC-NXEZZACHSA-N 316.327 2.509 0 50 DFAA COc1cccc(N2CCN(CC[C@@H]3CCCCO3)CC2)c1 170594595 XJKULOYAXUAKMC-KRWDZBQOSA-N 304.434 2.776 0 50 DFAA Cc1cc(S(=O)(=O)NC2(C)CCOCC2)sc1Cl 188127820 NDEQSIYRSDWPNU-UHFFFAOYSA-N 309.840 2.557 0 50 DFAA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ncccn2)C1 192125005 WKVDPRSGAJTOHY-KBPBESRZSA-N 323.318 2.803 0 50 DFAA O=C(NCc1cccc(C(=O)O)c1)NCC1CCC(F)CC1 646162067 JWGRWLVBDQBQNX-UHFFFAOYSA-N 308.353 2.712 0 50 DFAA Cc1nc([C@@H](NC[C@H]2CCC=CO2)c2ccccc2F)no1 194457566 YROHSMHFGXGMMK-DOMZBBRYSA-N 303.337 2.889 0 50 DFAA CN(C)c1ncnc2c1ncn2Cc1ccc(Cl)nc1Cl 195500914 FAJZJQXCYBIVTR-UHFFFAOYSA-N 323.187 2.642 0 50 DFAA Cc1ccncc1CNC(=O)C1CC(O)(C2CCCCC2)C1 1615538154 ZCTTZVUCTUMRHY-UHFFFAOYSA-N 302.418 2.728 0 50 DFAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)C1CCCCCC1 1615964560 QIKAVJFTLMPHGG-IRXDYDNUSA-N 302.418 2.726 0 50 DFAA Cc1cc(F)cc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)c1 1615940495 ZCEBHKLUVOIFQQ-WMZOPIPTSA-N 300.377 2.565 0 50 DFAA O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1O 511749 RNLLQPORVBXUMN-BQYQJAHWSA-N 304.396 2.980 0 50 DFAA Cc1ccc(C(=O)N[C@H](C)[C@H](C)CO)cc1Br 160403936 PWULXNJPQCMQJX-NXEZZACHSA-N 300.196 2.504 0 50 DFAA O=C(NC1Cc2ccccc2C1)[C@H]1CC(Cc2ccccc2)=NO1 14979170 GUFOBHRPECPFMV-LJQANCHMSA-N 320.392 2.658 0 50 DFAA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 16605193 VZMVHJDTSAXSHE-OAHLLOKOSA-N 310.825 2.708 0 50 DFAA CC(C)[C@H]1CC[C@H](c2nc([C@H]3CCS(=O)(=O)C3)no2)CC1 408514082 UWJLOJQQGVOMAQ-AVGNSLFASA-N 312.435 2.902 0 50 DFAA CCOCCCN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@@H](C)C1 229694919 OZQMYCZXBHLJAG-BBWFWOEESA-N 308.466 2.596 0 50 DFAA COc1ccc2nc(NC(=O)N(C)C[C@H](O)C3CC3)sc2c1 674313807 OGQVUDRWWNKAFB-LBPRGKRZSA-N 321.402 2.540 0 50 DFAA C[C@@H](NC(=O)CCCc1ccc2ccccc2c1)c1nnnn1C 252496312 PGLSXZNENOYNBN-CYBMUJFWSA-N 323.400 2.563 0 50 DFAA CC(C)[C@@H]1OCC[C@H]1c1nc(CC(=O)Nc2ccccc2)no1 252483164 DWJKCFHQKAVWGU-CJNGLKHVSA-N 315.373 2.779 0 50 DFAA O=C(NCCCN[C@H]1CCCC[C@H]1CCCO)c1cccs1 820814623 LILWCZOMOMCYAI-GJZGRUSLSA-N 324.490 2.789 0 50 DFAA O=C(O)c1cc(NC(=O)[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)ccc1O 1118974578 MGRGGBWPFIZEDA-GGVZMXCHSA-N 311.284 2.710 0 50 DFAA CC(C)[C@@H](O)CNC(=O)c1ncc(C(F)(F)F)cc1Cl 934779121 UOLZPXIPYAVRSX-VIFPVBQESA-N 310.703 2.501 0 50 DFAA CN(Cc1ccon1)C(=O)Cc1nc(C2CCCC2)cs1 952991908 DZFRKGGFQUYJNB-UHFFFAOYSA-N 305.403 2.990 0 50 DFAA C[C@H]1Cn2nc(C(=O)O)cc2CN1CCc1ccc(Cl)cc1 1875283201 JLJGNEYFNBFEBI-NSHDSACASA-N 319.792 2.682 0 50 DFAA O=C(CC1CCC(C(=O)O)CC1)Nc1ccc2c(c1)OCC2 1875277638 VWVWLEBIXRVBDU-UHFFFAOYSA-N 303.358 2.841 0 50 DFAA CCOc1ccc2c(c1)CCN(c1nc3ccncc3n1C)C2 1875305515 UWIZJMFFYWYLCH-UHFFFAOYSA-N 308.385 2.930 0 50 DFAA Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)nn1 885661439 CFXDQUJUQSRCHM-CQSZACIVSA-N 313.357 2.632 0 50 DFAA Cc1nnc([C@H]2CCCN(C(=O)c3ncoc3C3CC3)[C@H]2C)o1 886084853 LLKBFUSGLNNJKS-CABZTGNLSA-N 316.361 2.652 0 50 DFAA O=C(Nc1nc(CC2CC2)ns1)c1c(F)ccc(O)c1F 888100672 DJTLMGHDZLMWDK-UHFFFAOYSA-N 311.313 2.727 0 50 DFAA Fc1cnc(N2CCC[C@@H]2c2ncc(Br)cn2)nc1 895706708 DHQQDSAAWUQEKR-SNVBAGLBSA-N 324.157 2.510 0 50 DFAA CC1(C)CCN(c2nccn3nnnc23)C[C@H]1c1ccccc1 896830001 KUVDCGDWPYCBCF-AWEZNQCLSA-N 308.389 2.539 0 50 DFAA O=C(O)c1ncoc1[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 2325802914 FANWLCYDGDGKOB-VXGBXAGGSA-N 304.346 2.783 0 50 DFAA COc1cc(F)c(C(=O)N(C)C[C@@H]2CCCCN2C)c(F)c1 20166377 HMMGZEJFKVEBQJ-NSHDSACASA-N 312.360 2.530 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Cl)c1 190541 CCFLALOBYPFOPH-GFCCVEGCSA-N 310.806 2.696 0 50 DFAA O=C(COc1ccccc1)Nc1ccccc1N1CCOCC1 792169 QKKJSZQYIPTZLF-UHFFFAOYSA-N 312.369 2.541 0 50 DFAA OCc1nc2ccccc2n1C[C@@H](O)Cn1ccc2ccccc21 1057722 WTGSVBSOJQMRQK-HNNXBMFYSA-N 321.380 2.544 0 50 DFAA CN1CCC[C@]2(CCCN2C(=O)c2ccccc2Cl)C1=O 2356148120 IERIXGXFJMVTIK-INIZCTEOSA-N 306.793 2.567 0 50 DFAA Cc1c(NC(=S)NC(C)(C)C)c(=O)n(-c2ccccc2)n1C 4176955 UZQVADXJNFKINJ-UHFFFAOYSA-N 318.446 2.569 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccccc1 10474225 FDOWVJBZNLLJDK-AWEZNQCLSA-N 308.381 2.784 0 50 DFAA C[C@H](CC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1 225299565 IYGZTLQOQJZDNP-SKDZVZGDSA-N 321.392 2.774 0 50 DFAA Cc1ccccc1C[C@H](CO)NC(=O)[C@@H]1CCCc2cccnc21 225526070 HJSATEPIBSPVAP-QZTJIDSGSA-N 324.424 2.530 0 50 DFAA CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1cncc(C)c1 55413408 GBTLJZIPMWPCLO-HNNXBMFYSA-N 304.415 2.865 0 50 DFAA Cc1ccc(CN2CC[C@H](CNC(=O)c3cccc(C)n3)C2)cc1 67872321 CDRFFILKRKPKLO-GOSISDBHSA-N 323.440 2.950 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 246882438 IFERJDJJRRXUOX-BIMULSAOSA-N 313.228 2.904 0 50 DFAA CCCSc1ncc(CN2CCC3(CCNCC3)C2)cn1 67678922 WBEWGFJEPLAQIT-UHFFFAOYSA-N 306.479 2.554 0 50 DFAA O=[S@](O)c1ccc(OC(F)(F)F)cc1Br 309505991 PMIVHUPUVCWYOJ-UHFFFAOYSA-N 305.071 2.928 0 50 DFAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H](NC(C)C)C3 20118102 VAWUXGPFVCMQNR-LBPRGKRZSA-N 319.474 2.969 0 50 DFAA CN(C[C@H]1CCCCO1)C(=O)c1c[nH]nc1-c1cccc(F)c1 67743889 ZXLNGPUSEWSYPX-CQSZACIVSA-N 317.364 2.857 0 50 DFAA CCCC1(CNC2CCN(C(=O)c3cnccn3)CC2)CCC1 67757019 DKCARQGWZMGVJZ-UHFFFAOYSA-N 316.449 2.641 0 50 DFAA O[C@H]([C@H]1CCCCN1Cc1nc2ccccc2[nH]1)C(F)(F)F 353744646 GWPXNEOADNIKMZ-TZMCWYRMSA-N 313.323 2.841 0 50 DFAA CCn1ncc(Cl)c1C(=O)Nc1ccc(N(C)C(C)=O)cc1 2760288 CHINSGSHKYXXQQ-UHFFFAOYSA-N 320.780 2.791 0 50 DFAA C[C@H]1CC(CCN2CCO[C@@H](c3nncn3C)C2)C[C@H](C)C1 328625631 DJQKSURFAIPQKG-IIAWOOMASA-N 306.454 2.651 0 50 DFAA Cc1csc(CN(Cc2scnc2C)C[C@H]2CCNC2)n1 328639445 PMXZTOOUVLAXBK-ZDUSSCGKSA-N 322.503 2.828 0 50 DFAA N[C@@H]1CCOc2cc(Br)cc(Br)c21 76914479 CAOLVCMMOQJLSX-SSDOTTSWSA-N 306.985 2.994 0 50 DFAA Cc1ccc(CNC(=O)c2cn(C)c(=O)c3ccccc23)s1 428188914 XJXIUZRRJNXXDD-UHFFFAOYSA-N 312.394 2.838 0 50 DFAA CCCn1ccnc1CN1CCCC[C@@H]1CCn1cccn1 215787901 OMBGVVBNYFISIE-MRXNPFEDSA-N 301.438 2.934 0 50 DFAA COc1ccc([C@H]2CNCCN2C(=O)c2cccs2)cc1 257332817 XYULKSXOWPDIMB-CQSZACIVSA-N 302.399 2.543 0 50 DFAA C[C@H]1CN(C(=O)/C=C/c2ccccc2Br)C[C@H](C)N1 153749152 VPNGQDZMQNYKEJ-BRQSLIGTSA-N 323.234 2.671 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)c2cc(-c3ccccc3)on2)[nH]n1 77297958 ZEERRIJQCFYZSA-NSHDSACASA-N 310.357 2.734 0 50 DFAA O=C(NC1CCNCC1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 262524003 ZHDQCSIURKQEGZ-ABSDTBQOSA-N 312.457 2.904 0 50 DFAA C[C@]1(c2ccccc2)CCCN(C(=O)CC2OCCCO2)C1 279726612 BVVGNFIKGLBJEV-SFHVURJKSA-N 303.402 2.720 0 50 DFAA O=C(Cc1cccs1)N1CCO[C@@]2(CCc3ccccc32)C1 158514002 ACAHGGQWPWWVTB-SFHVURJKSA-N 313.422 2.991 0 50 DFAA Cc1nc2ccc(C(=O)NCCNc3cccnc3)cc2s1 215898258 QIJNYMLPWQNPLN-UHFFFAOYSA-N 312.398 2.842 0 50 DFAA Cn1c(SC[C@@H]2CCCC[C@@H]2O)nc2ccsc2c1=O 332647355 SULKSVUTCNUSJF-ONGXEEELSA-N 310.444 2.638 0 50 DFAA CC1=NO[C@H](C(=O)NCCCc2nc3ccccc3s2)C1 71763123 XCYBYZKIPCDACU-LBPRGKRZSA-N 303.387 2.510 0 50 DFAA Cc1ccccc1C1(CNC(=O)c2ccc(C(N)=O)s2)CC1 171098494 LOLLNMPCPCHVNR-UHFFFAOYSA-N 314.410 2.617 0 50 DFAA CCc1noc(C)c1CNC(=O)N1CC[C@@H](C2CCOCC2)C1 333545773 SWIDEXRDISRAQG-CQSZACIVSA-N 321.421 2.504 0 50 DFAA COc1cccc([C@](C)(CC(=O)O)NC(=O)[C@@H]2CC=CCC2)c1 263255025 VSPLBIHRFFMLLV-ACJLOTCBSA-N 317.385 2.858 0 50 DFAA C[C@H]1C[C@@H](C(=O)O)CN(c2nnc(-c3ccccc3)s2)C1 263208396 NDQQWZBMKUHXIB-CMPLNLGQSA-N 303.387 2.752 0 50 DFAA O=C(Cc1ccc(F)cc1)NCc1nc(-c2ccccc2)no1 41151766 KTQKNAJXAQOAKM-UHFFFAOYSA-N 311.316 2.735 0 50 DFAA 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311.381 2.765 0 50 DFAA O=C([C@H]1CCCC(F)(F)C1)N1CC[C@H](c2cn(C3CC3)nn2)C1 2325827084 UUMOWWYYKXVDSW-RYUDHWBXSA-N 324.375 2.754 0 50 DFAA Cc1ccn(CC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n1 2325840534 DTCKFLKIYOLACM-UHFFFAOYSA-N 309.373 2.633 0 50 DFAA Cc1ncc2ccc(C(=O)Nc3ccc(CCCN)cc3)cn12 2325858711 XVIAQFGEKQVMTG-UHFFFAOYSA-N 308.385 2.786 0 50 DFAA Cc1ccc2c(c1)N(CC(=O)N[C@@H](C)c1ccccc1)C(=O)CO2 423117 HLBLSVDPJBJBNN-AWEZNQCLSA-N 324.380 2.598 0 50 DFAA O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ncccn1 4386580 LNMPHJLKSMRJQJ-UHFFFAOYSA-N 319.777 2.737 0 50 DFAA COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Cl)cc1 8683713 JIVZHUVGPBDKFX-LBPRGKRZSA-N 310.806 2.648 0 50 DFAA O=C(CCc1nc2ccccc2[nH]1)N1CCC(c2ccn[nH]2)CC1 172382609 CJLKAKUOSKCYSX-UHFFFAOYSA-N 323.400 2.625 0 50 DFAA O=C(c1cccnc1N1CC(c2ccncc2)C1)N1CCCCC1 72140123 JLWBTPGLBGEVMQ-UHFFFAOYSA-N 322.412 2.707 0 50 DFAA O=C(OCc1ccccc1)[C@H]1COCCN1Cc1ccccc1 26894983 PFVNMNCFVVSLRA-GOSISDBHSA-N 311.381 2.631 0 50 DFAA CC[C@@H](C)Oc1ccc(CNCCCc2nnn[nH]2)cc1Cl 63856120 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CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1nc(C)oc1C 295376791 OTMQCIVGDNCLIR-INIZCTEOSA-N 308.378 2.629 0 50 DFAA CC1(C)[C@H](NCc2nc(-c3cccs3)no2)[C@H]2CCO[C@H]21 296133020 JEIIVKCTGNKGMT-OASPWFOLSA-N 305.403 2.701 0 50 DFAA C[C@H](CC(=O)NC1(c2cc(F)cc(F)c2)CC1)n1ccnc1 299789487 YGAKZWJINLDHKV-LLVKDONJSA-N 305.328 2.918 0 50 DFAA CN(C(=O)[C@@H]1CCCC(=O)N1)[C@H]1CCCC[C@H]1c1ccccc1 643611190 YXTCAMPMKKHZLV-ULQDDVLXSA-N 314.429 2.840 0 50 DFAA Cc1cccc(C[C@H](C)NS(=O)(=O)c2cc(C)sc2C)n1 825230606 HZYYDOXLEJSLSZ-NSHDSACASA-N 324.471 2.978 0 50 DFAA CC(C)Cc1nc([C@@H](C)N2CCCC2=O)n(-c2ccncc2)n1 821477609 QKPPIYNJAHGCJQ-CYBMUJFWSA-N 313.405 2.544 0 50 DFAA COC(=O)c1cc(O)cc(C(=O)N2CCC3(CCCC3)C2)c1 584889046 VSEXVRKPMWAKGK-UHFFFAOYSA-N 303.358 2.585 0 50 DFAA CC[C@@H](C)Cc1nc(CCn2ccc(C)n2)n(-c2ccncc2)n1 670435298 CYLUYDMEJPMFSA-CQSZACIVSA-N 324.432 2.999 0 50 DFAA C/C(=C(/F)C(=O)NC1CCN(CCOC(C)C)CC1)C1CC1 585134006 ALPPDFRAAWMWNC-SSZFMOIBSA-N 312.429 2.646 0 50 DFAA O=C(Nc1ccc(-n2ccnn2)cc1)c1c[nH]nc1-c1ccco1 1442942322 UDFYAXZJKCWFJM-UHFFFAOYSA-N 320.312 2.503 0 50 DFAA COCCn1cnnc1CN(C)Cc1csc2ccccc12 952967112 LXERGQYMGJWOAB-UHFFFAOYSA-N 316.430 2.771 0 50 DFAA O[C@@H](COCc1ccccc1)CN1CCCNc2ccccc21 303422774 LCZKDOLSEIRUSO-QGZVFWFLSA-N 312.413 2.886 0 50 DFAA CC(C)Oc1cc(F)ccc1NC(=O)c1ccn(C)c(=O)c1 272614296 KWQXDKJOVQQQGR-UHFFFAOYSA-N 304.321 2.564 0 50 DFAA CCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccccn1 169980115 LFRWXKFOCNSXFU-AMSCCUFHSA-N 314.385 2.562 0 50 DFAA C[S@](=O)c1nncn1CC1CCC(c2ccccc2)CC1 187869998 VAKIMWJEACDIQS-CQGXBLDFSA-N 303.431 2.990 0 50 DFAA O=C(O)CC(=O)NCc1ccccc1Oc1cccc(F)c1 738556760 UHRZYVQNFZMKEX-UHFFFAOYSA-N 303.289 2.709 0 50 DFAA Cc1n[nH]c([C@H]2CN(CC[C@@H](C)c3ccccc3)CCO2)n1 194042284 FSEJMCHHVHYTPL-CZUORRHYSA-N 300.406 2.680 0 50 DFAA CCn1ncc2cc(C(=O)NC[C@H]3Cc4ccccc43)c(C)nc21 669596767 OPUQEYDKSLDIRE-CQSZACIVSA-N 320.396 2.829 0 50 DFAA CCOC(=O)c1nc2ccccc2cc1NC(=O)[C@H]1CCCO1 585125352 OXNKGYFXHREPQQ-CQSZACIVSA-N 314.341 2.529 0 50 DFAA C[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 661173470 GHJJXHVLAPSDTA-IARIHHJXSA-N 302.418 2.687 0 50 DFAA Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](CCO)C2CC2)s1 778989150 DONJNHBTKASYGC-AWEZNQCLSA-N 304.415 2.942 0 50 DFAA CN(CC[C@H]1CCCCO1)C(=O)c1cccc2c1CCC2=O 1506409812 UPLLKIOAPSZUKB-CYBMUJFWSA-N 301.386 2.847 0 50 DFAA C[C@@H](CNc1noc(-c2ccccc2)c1C(=O)O)CN(C)C 1704325368 KTGWOYOJJRRFHX-NSHDSACASA-N 303.362 2.649 0 50 DFAA CN(CCC[C@@H]1CCCO1)c1ncccc1C(=O)N1CCCC1 1704277924 XGLCFZZHQQDFLS-OAHLLOKOSA-N 317.433 2.713 0 50 DFAA CC[C@@]12C[C@H]1CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)C2 1772814960 BFCVTLKIWSDPSY-LIRRHRJNSA-N 310.397 2.568 0 50 DFAA COc1ccc(/C=C/CN2CCC(=O)N(CC3CC3)CC2)cc1 12127362 VNIOXLMFMPPLBE-NSCUHMNNSA-N 314.429 2.653 0 50 DFAA C[C@H](NC(=O)CN1CCCCCC1)c1ccc2c(c1)OCCO2 15255708 GLKKXGLFICDABK-AWEZNQCLSA-N 318.417 2.511 0 50 DFAA O=[S@@](Cc1ccccc1)C[C@@H](O)COCc1ccccc1 16662092 SAMOSLRICVPKOU-LAUBAEHRSA-N 304.411 2.513 0 50 DFAA CN(Cc1ncc[nH]1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328645184 SBYGJGKBYFTTMN-STQMWFEESA-N 308.426 2.516 0 50 DFAA CCNC(=O)C(C)(C)CNC(=O)c1cc(F)c(Cl)cc1F 124525721 AUEYXXCFRULTTD-UHFFFAOYSA-N 318.751 2.510 0 50 DFAA O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCNC1 237786136 CUWFIQPYWLSRDK-GXSJLCMTSA-N 306.715 2.669 0 50 DFAA O=C(c1ccc(COc2ccccc2)cc1)N1CCCNCC1 237873172 FFVYNFCRVBZQPH-UHFFFAOYSA-N 310.397 2.701 0 50 DFAA CCOc1nc2cc(C(=O)NCc3cnc(C)s3)ccc2[nH]1 242339388 ZHJWDSPMJRMIQA-UHFFFAOYSA-N 316.386 2.657 0 50 DFAA Cc1ccn(C)c1C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 375545193 JSCZXLJCTKDMOS-CYBMUJFWSA-N 314.389 2.614 0 50 DFAA Cc1ccccc1CC(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 262780165 AYIFBZKACSKTEP-QZTJIDSGSA-N 323.392 2.864 0 50 DFAA Cc1ccccc1[C@@H](O)CN1CC[C@H](OCc2ccncc2)C1 805753682 RRCOQLJSBCDURO-HKUYNNGSSA-N 312.413 2.715 0 50 DFAA O=C(O)CC1CCN(c2cc(C3CC3)nc(C3CC3)n2)CC1 910308176 ALGBDWRJXSTRQR-UHFFFAOYSA-N 301.390 2.923 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@]2(C)CCCC[C@@H]2O)[nH]1 1875255425 ZLEUXFPCIYHFDK-WMZOPIPTSA-N 312.417 2.622 0 50 DFAA CO[C@@H](C)c1cn(CCNC(=O)C2(C)CCCCCCC2)nn1 1875323201 BHNRCGFEWBGBFF-AWEZNQCLSA-N 322.453 2.852 0 50 DFAA O=C(NC1CC1)c1cc(-c2cccc(CO)n2)nc2ccccc12 1875323906 CPJZNTDELPWQCJ-UHFFFAOYSA-N 319.364 2.681 0 50 DFAA Oc1nc(CN2CCCOCC23CC3)nc2ccc(Cl)cc12 885745011 QOZLPIZQYUXQQN-UHFFFAOYSA-N 319.792 2.744 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOCC2CCCC2)C1 888102902 UCORBURPGSFSNW-SJORKVTESA-N 321.465 2.995 0 50 DFAA Fc1cccc2nc(NC[C@H]3CCN3C3CCOCC3)oc12 896525501 LJZYUOTVSPYHSM-GFCCVEGCSA-N 305.353 2.632 0 50 DFAA O=C1NCc2ccc(C(=O)N3CC(c4ccccc4)C3)cc2N1 1776003221 GMGKFOPLAOZWFI-UHFFFAOYSA-N 307.353 2.561 0 50 DFAA CC[C@H](C(=O)O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 263573413 MHSOPGHHSDQYQX-KZNAEPCWSA-N 316.445 2.836 0 50 DFAA Cn1cnc2nc(-c3cccc(C(=O)N4CCCCC4)c3)ncc21 2100555601 YQPHXLHTQLIEDF-UHFFFAOYSA-N 321.384 2.656 0 50 DFAA CCC[C@H](CC(=O)O)NC(=O)c1ccc2nc(C)sc2c1 426693697 IDPIIHBBQCQQAK-LLVKDONJSA-N 306.387 2.978 0 50 DFAA CCOC(=O)c1ccc(SCc2cc(Cl)n(C)n2)nc1 2325758795 FASVSROCKYIUOQ-UHFFFAOYSA-N 311.794 2.938 0 50 DFAA NC(=O)c1ccc(F)c(C(=O)NCCC23CCC(CC2)C3)c1 2325786709 WUEAFJFGHHPHET-UHFFFAOYSA-N 304.365 2.625 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC1CCC2(CC1)CC(N)C2 2325795351 AZKJEDDFSVVECA-AVMRTLILSA-N 318.465 2.686 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(CO)o3)cc2)c1C 2325824459 BPMQMEZNIMQBKQ-UHFFFAOYSA-N 311.341 2.827 0 50 DFAA O=c1c(-c2cccc3ccccc23)[n+]([O-])c2ccccc2n1O 547285 COOGPWUPEJTRLV-UHFFFAOYSA-N 304.305 2.692 0 50 DFAA CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 570511 LCFBAENDBFENQW-UHFFFAOYSA-N 302.296 2.891 0 50 DFAA COc1ccc([C@@H]2O[C@H]2C(=O)O)cc1OCc1ccccc1 2155690 ZEPGLAKHUZBGSK-JKSUJKDBSA-N 300.310 2.799 0 50 DFAA COC(=O)CCCCc1onc(C)c1CCCCC(=O)OC 2519431 PGWMGCFGBFACFA-UHFFFAOYSA-N 311.378 2.755 0 50 DFAA N=C(N)SCc1nc2ccccc2c(=O)n1-c1ccccc1 4256099 SNUNBQVCXWBALX-UHFFFAOYSA-N 310.382 2.512 0 50 DFAA C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 6697087 HDZYEPRAIJOLBW-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA COc1ccc(Nc2ccc3c(c2)=NC2(CCCCC2)[N+]=3[O-])cc1 100436781 HWFYFSNVLANFJX-UHFFFAOYSA-N 323.396 2.721 0 50 DFAA Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NS(C)(=O)=O 10369311 DCPBRFZJBQZJHD-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](CNC(C)=O)C1 458939115 JUPUKCPUTASPBE-BBWFWOEESA-N 323.481 2.761 0 50 DFAA CCc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)no1 9597910 GIMNEBUMVJEXCT-UHFFFAOYSA-N 306.318 2.515 0 50 DFAA CCCSc1ncc(CN(C)Cc2noc(CC)n2)cn1 55269505 QDKPSAXSSSXYQX-UHFFFAOYSA-N 307.423 2.556 0 50 DFAA O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1cccn1 2771048 ZLXPXGGJONQQLX-UHFFFAOYSA-N 318.686 2.970 0 50 DFAA C[C@H](CNC1(CO)CCOCC1)c1ccc(C(F)(F)F)cc1 225720445 OQDOIVOEOQASRX-GFCCVEGCSA-N 317.351 2.940 0 50 DFAA CC(C)N(CCN1CCCCCC1)C(=O)c1ncccc1O 55270122 LRUBXYHNNVJOMK-UHFFFAOYSA-N 305.422 2.514 0 50 DFAA CC(C)CN1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CCO 20540162 OLJFPEHPKWBXHZ-KRWDZBQOSA-N 310.869 2.865 0 50 DFAA O=C([C@@H]1CCc2cccnc21)N1CCOC2(CCCCC2)C1 343128563 AJWRIKRGLHBJPP-OAHLLOKOSA-N 300.402 2.673 0 50 DFAA Cc1nnc(SCC(=O)N(C)[C@H](C)c2ccncc2)s1 67921897 CAMBEACKDKMMNQ-SECBINFHSA-N 308.432 2.553 0 50 DFAA CCn1ncc2c1NC(=O)C[C@@H]2c1ccccc1Cn1cccn1 65373162 IZEBRNQWUNVSDA-OAHLLOKOSA-N 321.384 2.622 0 50 DFAA CC(C)n1ncc2cc(CN3CCC[C@H]3C(C)(C)O)cnc21 119105923 LJSWNWAOQINUCD-HNNXBMFYSA-N 302.422 2.748 0 50 DFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1ncc[nH]1 67909463 FQZAAKJYLCSNCV-UHFFFAOYSA-N 304.400 2.867 0 50 DFAA COc1cc2c(cc1CN(C)CCCc1nccn1C)CCC2 215355641 DVHWJADZKRTRDV-UHFFFAOYSA-N 313.445 2.982 0 50 DFAA CCCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1 2764097 REPCVUNOJLLSCO-UHFFFAOYSA-N 301.346 2.722 0 50 DFAA C[C@@H]1[C@@H](C)N(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CCN1C 356901105 MCPSWBPSSNCLIT-VXGBXAGGSA-N 319.836 2.915 0 50 DFAA Cn1cnnc1[C@H]1CCCN(c2ncncc2-c2ccccc2)C1 328834237 LVVZIJHCBHZCNQ-HNNXBMFYSA-N 320.400 2.656 0 50 DFAA O=C(c1scc2c1CCCC2)N1CCC(c2ncn[nH]2)CC1 215635271 DDMUIAPXKJTYFW-UHFFFAOYSA-N 316.430 2.765 0 50 DFAA CC1(C)C[C@@H]1C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1 124600293 IHCSPMFWOOMMOV-OAHLLOKOSA-N 301.386 2.860 0 50 DFAA CCCc1cc(C(=O)Nc2nc3cc(F)ccc3n2C)no1 449990952 SXXBBOWUOAADMM-UHFFFAOYSA-N 302.309 2.905 0 50 DFAA Cc1ccccc1CN1CCCN(CC[C@H]2CCCN2C)CC1 367215707 LQVZLFUINGCFHX-HXUWFJFHSA-N 315.505 2.987 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCc3c(Cl)cccc3C2)o1 238002137 HHYFURDWOHASJP-UHFFFAOYSA-N 305.717 2.830 0 50 DFAA O=C(CC[C@@H]1CCNC1)N(CCc1ccc(F)cc1)C1CC1 261822461 MPRFRYHJCXFCLK-OAHLLOKOSA-N 304.409 2.749 0 50 DFAA Cc1nc(CCN2CCCN(c3ncccc3F)CC2)cs1 375527493 YJYPQGXCJUREGR-UHFFFAOYSA-N 320.437 2.740 0 50 DFAA O=C(NC1Cc2ccccc2C1)c1cccc(-n2cccn2)c1 77388970 WVIHPMPDDLONLD-UHFFFAOYSA-N 303.365 2.770 0 50 DFAA Cc1nc[nH]c1-c1nccn1Cc1ccccc1-n1ccnc1 72133312 WBPHYRAQXUXQMO-UHFFFAOYSA-N 304.357 2.816 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 237491616 SOVOQGJWXDKOFM-IGHBBLSQSA-N 308.372 2.654 0 50 DFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 237616478 RQDHUQVOAMWSQS-KCXAZCMYSA-N 301.386 2.810 0 50 DFAA COc1cc2c(cc1O)C[C@H]1NCCc3cc(OC)c(O)c-2c31 410428658 HORZNQYQXBFWNZ-GFCCVEGCSA-N 313.353 2.525 0 50 DFAA endogenous,in-man CN(C)Cc1ccccc1CNC(=O)[C@@H]1COc2ccccc21 172011573 CIVODWBBMPKEON-QGZVFWFLSA-N 310.397 2.541 0 50 DFAA Cn1cc([C@H]2CCN(C(=O)NCc3ccc(Cl)s3)C2)cn1 172111441 OLEKWISQHOEJDV-JTQLQIEISA-N 324.837 2.834 0 50 DFAA Cc1cc(O)ccc1C(=O)NC[C@@H]1CCN(C2CCCC2)C1 222676471 LPORPJVUMPXYID-AWEZNQCLSA-N 302.418 2.695 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cc(C)oc2C)c1 282644796 XJHRSXMYIDLQMG-WMLDXEAASA-N 315.369 2.853 0 50 DFAA CCCc1oncc1C(=O)N1CCC([C@@H](O)CC(C)C)CC1 82114382 GGLVQJUOLOQRQE-HNNXBMFYSA-N 308.422 2.886 0 50 DFAA Cc1cccc(C[C@@H](C)NC(=O)CCN2CCCCCC2)n1 426656831 BYLXLXPIHQHNHN-MRXNPFEDSA-N 303.450 2.703 0 50 DFAA CCc1nc(C)c(CNC(=O)c2scc3c2OCCO3)s1 223883134 WWODSRUKIZXTKC-UHFFFAOYSA-N 324.427 2.777 0 50 DFAA CC[C@H](C)n1c(S)nc(=O)c2c(C(=O)O)cc(C3CC3)nc21 20615422 HHYXNEPPILQIBJ-ZETCQYMHSA-N 319.386 2.627 0 50 DFAA Cc1nc(COC[C@@H]2CCCO2)n(-c2ccc(C)c(C)c2)n1 96164791 OHIWYGQLPDDZTD-INIZCTEOSA-N 301.390 2.888 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)CCCOc2ccccc2)C1 91987941 LVFVQNGCFFSXHX-INIZCTEOSA-N 316.445 2.931 0 50 DFAA CN(C)c1cccc(NC(=O)NCCCCN2CCCC2)c1 96133601 PUUJRVIGXLLCBJ-UHFFFAOYSA-N 304.438 2.750 0 50 DFAA CCOC(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 91350706 VRJCRGGOQAHRAP-QGZVFWFLSA-N 310.438 2.894 0 50 DFAA CCCc1nc(C(=O)N(C)CCCc2cnn(C)c2)cs1 91872084 TYMJQDWFYZEATB-UHFFFAOYSA-N 306.435 2.534 0 50 DFAA N[C@H]1CC[C@@H]([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)CC1 244852545 UUHZPOGPSHXKMT-VNHYZAJKSA-N 310.401 2.816 0 50 DFAA COc1cc(CN2CCC3(CC2)C[C@](C)(O)CCO3)ccc1F 257191610 QTCUSKHCKZOORW-QGZVFWFLSA-N 323.408 2.730 0 50 DFAA C[C@]12CC[C@@H]3[C@H]([C@@H]1C[C@H](O)C2)[C@H](O)C[C@H]1C[C@H](O)CC[C@]13C 257345944 NJFDVXNNCYQDEC-SZWQPCPMSA-N 308.462 2.722 0 50 DFAA COc1cc2c(cc1CNC(=O)Nc1cc(C)nn1C)CCC2 299783883 VILCDEBHHQFLPX-UHFFFAOYSA-N 314.389 2.548 0 50 DFAA Cc1nc(O)c2c(n1)CN(C(=O)Nc1ccc3c(c1)CCC3)C2 299765908 ZGINSKDZOCJQDV-UHFFFAOYSA-N 310.357 2.527 0 50 DFAA O=C(Nc1cc(F)c(F)c(F)c1)N1CCC2(CCO2)CC1 299760404 GIJGDBMIBNMCLR-UHFFFAOYSA-N 300.280 2.891 0 50 DFAA Cc1cccc(NC(=O)CCNC(=O)NCc2cccs2)c1 952969888 DGNBEKJOCMJZAM-UHFFFAOYSA-N 317.414 2.885 0 50 DFAA C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@H](C)S1=O 408340162 DKJWBKOTTYUCDC-UWVGGRQHSA-N 324.833 2.803 0 50 DFAA CC(=O)N1CCCc2cc(NCc3ccc(C(N)=O)cc3)ccc21 269322227 QBBICFQTVHCGCJ-UHFFFAOYSA-N 323.396 2.697 0 50 DFAA COC(=O)c1coc(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)c1 185001977 SWUZBJHDBNMYJL-GFCCVEGCSA-N 320.370 2.712 0 50 DFAA Cc1cscc1C(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 275544258 ZUUKTKWXKUTELG-GFCCVEGCSA-N 321.402 2.777 0 50 DFAA Cc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)cn1 186603330 OTPVERUZHHCXRR-SFHVURJKSA-N 324.428 2.570 0 50 DFAA C[C@@H](CC(N)=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 170068551 CWCHIUAUDNCXRN-VIFPVBQESA-N 312.295 2.567 0 50 DFAA COc1cccc(CNCCc2ccc(Br)o2)n1 170090404 IPAVSZSRFPBGTO-UHFFFAOYSA-N 311.179 2.778 0 50 DFAA CSC1(CNC(=O)NCC(C)(C)C(C)C)CCOCC1 186878520 CXDFHONRSIXRBQ-UHFFFAOYSA-N 302.484 2.880 0 50 DFAA Cn1cc(NC(=O)c2cnn(CC3CC3)c2)c(-c2ccco2)n1 633680754 GUDHSXTUPPEPPK-UHFFFAOYSA-N 311.345 2.539 0 50 DFAA CC(C)c1nnc2ccc(NC(=O)C[C@H](O)c3ccccc3)cn12 189082600 INDWTSSMDYCMQC-HNNXBMFYSA-N 324.384 2.915 0 50 DFAA Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cccnc3)C2=O)c(C)c1 189921831 JNMYRVFPYFMWJR-MRXNPFEDSA-N 323.396 2.542 0 50 DFAA COc1cc(NC(=O)c2ccc(CN(C)C)cc2)ccc1O 798100740 JEVLMTLIFIAVAI-UHFFFAOYSA-N 300.358 2.715 0 50 DFAA CN(C)c1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)nc1 193862774 VHAWIFVYLZNKNX-UHFFFAOYSA-N 316.327 2.954 0 50 DFAA O=C(C[C@H]1CCC(F)(F)C1)NCc1nnc(C2CC2)n1C1CC1 797984972 KDOUMIPKDRFODW-SNVBAGLBSA-N 324.375 2.932 0 50 DFAA CN1C[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H](C(F)(F)F)C1 1616037633 DOMMJJYFOSJBNP-RKDXNWHRSA-N 308.250 2.643 0 50 DFAA CCc1nc(CN(C)Cc2ccccc2CN2CCCC2)no1 1506395728 FKFLOZPXTVURMD-UHFFFAOYSA-N 314.433 2.860 0 50 DFAA O=C(/C=C/c1ccc(F)cc1)N1CCN(c2ccccn2)CC1 308134 JYIYODBZPFADMC-RMKNXTFCSA-N 311.360 2.583 0 50 DFAA CCn1ncnc1[C@@H](C)Nc1cc(C)nc(N2CCCCC2)n1 1704352151 UNMXTBHJPGIFTI-CYBMUJFWSA-N 315.425 2.560 0 50 DFAA OC[C@@H](O)C1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 1772712366 LCPZQJFAYSRDES-OAQYLSRUSA-N 323.436 2.823 0 50 DFAA CCc1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 13784699 KJWXNVUXSYVZLQ-UHFFFAOYSA-N 306.431 2.785 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N(C)C 14006179 VUUJLNCUFBQIQN-ZDUSSCGKSA-N 312.369 2.794 0 50 DFAA COc1ccc(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)cc1F 169773354 NXZBJVOURNKLFW-UHFFFAOYSA-N 300.293 2.805 0 50 DFAA Cc1cccc(-c2nccn2[C@@H]2COC[C@H]2N2CCCCC2)n1 1857736563 MUJOGYPITYBAQW-IAGOWNOFSA-N 312.417 2.679 0 50 DFAA CO[C@@H]1CCC[C@@H](OC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1 229579472 ZFIBESOQZBDTNW-BPLDGKMQSA-N 311.422 2.572 0 50 DFAA O=C(c1ccc2[nH]nnc2c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 119559304 PSDUDODBILEFBG-ZDUSSCGKSA-N 324.359 2.802 0 50 DFAA COc1cccc(C2=CCN(C(=O)NCC(F)(F)F)C2)c1 241368065 MJTMHFDMDZGSQK-UHFFFAOYSA-N 300.280 2.666 0 50 DFAA CC(C)CCOc1ccccc1CCNC(=O)[C@@H]1CC[C@H](N)C1 248290523 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0 50 DFAA CC[C@H]1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccsc1 1875318862 XJFVOFOYQPLXLE-RYUDHWBXSA-N 301.433 2.520 0 50 DFAA CO[C@H](C)c1cn(CCNC(=O)C2(C)CCCCCCC2)nn1 1875323202 BHNRCGFEWBGBFF-CQSZACIVSA-N 322.453 2.852 0 50 DFAA COC(=O)CC1(CNC(=O)NCc2ccc(C(C)C)cc2)CC1 1875353699 CVKPUCRYXBUHHW-UHFFFAOYSA-N 318.417 2.953 0 50 DFAA CCCN(CCC)C(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 202702 PCSKXAUYICVDHF-CXAGYDPISA-N 311.422 2.526 0 50 DFAA biogenic CCCN(CC(F)(F)F)C(=O)C[C@@H]1CN[C@@H]2CCCC[C@H]12 2325778262 MYVAAUVTXQEEEQ-JHJVBQTASA-N 306.372 2.956 0 50 DFAA CN1CCO[C@@H](c2nc(-c3c[nH]c4ncccc34)cs2)C1 2325801621 PXCLUGAFBUBWOD-CYBMUJFWSA-N 300.387 2.690 0 50 DFAA COC(=O)c1cccc2c(CN[C@@H](C)c3cnn(C)c3)c[nH]c12 2325808357 STLQHEGTFZAVNJ-NSHDSACASA-N 312.373 2.539 0 50 DFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 2884637 QVQQDKIQFHHVNY-CQSZACIVSA-N 303.406 2.799 0 50 DFAA CCOC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1 4819163 XHJQSSKKHRXRPS-UHFFFAOYSA-N 319.401 2.647 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC(C)C)C1 132871629 ZLFFEFLPAVHFSP-CYBMUJFWSA-N 310.825 2.951 0 50 DFAA Cc1nnc(Nc2ccc(OCC(N)=O)cc2)c2ccccc12 9046889 VATAUTYTFDGCBA-UHFFFAOYSA-N 308.341 2.546 0 50 DFAA CCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341441 MPLNDYSEUSDKTJ-ZDUSSCGKSA-N 320.408 2.983 0 50 DFAA Cc1ccc(CN2CC[C@H](CNC(=O)NC(C)C)C2)c(C)c1F 67818586 QPXHEMQXUPKIQF-OAHLLOKOSA-N 321.440 2.972 0 50 DFAA Cc1ccc(NC(=O)CCn2c(C)c(C)sc2=O)c(C)n1 119041323 UQPWNJYPWHQCLO-UHFFFAOYSA-N 305.403 2.567 0 50 DFAA COc1ccc(-c2nc(CN3CC[C@H](N)C3)c(C)o2)c(C)c1C 67696700 OCUNSMGYRRPFSZ-AWEZNQCLSA-N 315.417 2.808 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCO[C@H](Cc2ccccc2)C1 122512743 KHULSLFIICIPBH-OAHLLOKOSA-N 315.348 2.696 0 50 DFAA Cc1c(O)cccc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 67741312 UJBITSZIQLCTAL-CYBMUJFWSA-N 313.353 2.613 0 50 DFAA O=C(NC[C@H](O)CNc1ccc(Cl)cc1)c1ccccc1F 332407 YINVCJFPBSYYMW-CYBMUJFWSA-N 322.767 2.682 0 50 DFAA CC(C)[C@@H](Cn1ccnc1)NC(=O)C1(c2ccccc2F)CC1 65526390 ZMNJIWDKHSAGIC-MRXNPFEDSA-N 315.392 2.895 0 50 DFAA Cn1nccc1CCNC(=O)c1ccc(Oc2ccccc2)o1 185854098 FTDUYWWQXGNYKY-UHFFFAOYSA-N 311.341 2.778 0 50 DFAA Cc1csc(SCC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)n1 77472542 XCLAXEKBZVBFQC-LLVKDONJSA-N 322.459 2.673 0 50 DFAA CC1(C)CN(C(=O)[C@@H]2CCc3nncn3C2)[C@H]1c1cccs1 329080878 CTRPIOJYEZTSRI-RISCZKNCSA-N 316.430 2.512 0 50 DFAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCn1cncn1 153314814 CVGCFIJPSUTLIK-GFCCVEGCSA-N 321.450 2.776 0 50 DFAA Cc1ccc(Sc2ccc(CN3CC[C@@](O)(CO)C3)o2)cc1 216536136 OKTXTHHBNCUUSY-KRWDZBQOSA-N 319.426 2.668 0 50 DFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2C)on1 332006883 NRHQMXMMVMOZKO-HNNXBMFYSA-N 320.414 2.958 0 50 DFAA CC(C)n1ccc(NC(=O)c2cccc(NC(=O)N(C)C)c2)n1 280354300 CHWLBLJTQGIEAP-UHFFFAOYSA-N 315.377 2.810 0 50 DFAA CCc1noc(CC)c1CNC(=O)c1ccc(C(=O)O)cc1F 262853281 SPUDVQWRWFBNNZ-UHFFFAOYSA-N 320.320 2.567 0 50 DFAA CNC(=O)c1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 378397818 QXVCXNXNGNTIBG-SJORKVTESA-N 316.445 2.685 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 72149635 NOFUBZQSDZOSNH-AWEZNQCLSA-N 312.417 2.633 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cnc(C(=O)O)cn2)c2ccccc21 263282440 OUHWDJDMELAQPK-LLVKDONJSA-N 311.341 2.719 0 50 DFAA C[C@H](Cc1cccc(F)c1)C(=O)NCCN1CCCC[C@H]1C 241121720 JDKSXFSNWGQQEO-HUUCEWRRSA-N 306.425 2.995 0 50 DFAA O=C(NCc1ccc(OCC2CC2)nc1)N[C@@H]1C[C@H]2CC[C@H]1C2 606496038 CUSBTFHXMONDMJ-CWRNSKLLSA-N 315.417 2.858 0 50 DFAA CSc1ccc(CN2CCN(c3cnccn3)CC2)cc1 42632909 XMUAZHZYHQAGIF-UHFFFAOYSA-N 300.431 2.521 0 50 DFAA CCN1CCC[C@H]1CNCc1cc(O)c2cccc(F)c2n1 91987972 RXVQFQZJFFDKAT-ZDUSSCGKSA-N 303.381 2.653 0 50 DFAA COCCN(CC1CC1)C(=O)c1c[nH]nc1C1CCCCC1 97674068 FWGKWKOPWTUKJA-UHFFFAOYSA-N 305.422 2.956 0 50 DFAA Cn1cc(CN2CC[C@@H](N3CCCC3)C2)c(-c2ccccc2)n1 97480250 HRLJLNBFLBDISZ-GOSISDBHSA-N 310.445 2.757 0 50 DFAA Cc1c[nH]nc1CN1CCOc2ccc(Br)cc2C1 291489281 GKPJKCZFNJJDDM-UHFFFAOYSA-N 322.206 2.875 0 50 DFAA CCN1CC2(CCC1=O)CCN(c1cnc3ccccc3n1)CC2 91410270 NJOKDBNLECZQBJ-UHFFFAOYSA-N 324.428 2.859 0 50 DFAA Cc1nc(-n2cnnc2)ccc1CC[C@@H]1COc2ccccc2O1 244828549 TYEXHSNSPCVZGK-OAHLLOKOSA-N 322.368 2.743 0 50 DFAA CC(C)c1cc(CN2CCCN(C(=O)C3CCC3)CC2)no1 244893100 YVTPJYCWFOUNAQ-UHFFFAOYSA-N 305.422 2.632 0 50 DFAA Cc1nn(C(C)(C)C)c(=O)n1CCOc1cccc(Cl)c1 180614006 ZLIZTBKHJMNSSZ-UHFFFAOYSA-N 309.797 2.841 0 50 DFAA O=C(N[C@H]1CCCOc2c(F)cccc21)c1cc2n(n1)CCC2 295122867 XAJGZWSNTZEAJR-AWEZNQCLSA-N 315.348 2.612 0 50 DFAA NC(=O)C[C@H]1CCCCN1CCc1cccc(C(F)(F)F)c1 628156269 JQWWVQQFJSHDPO-CQSZACIVSA-N 314.351 2.978 0 50 DFAA C[C@H](NC(=O)N1CCN(c2cccnc2)CC1)C1CCCCC1 534676748 PKQMVTIJQASLGM-HNNXBMFYSA-N 316.449 2.882 0 50 DFAA CCc1nn2c(c1C(=O)NCC1CC1)N[C@H](c1ccccc1)C2 263619655 ZUUNEDDNWGXMPW-HNNXBMFYSA-N 310.401 2.752 0 50 DFAA CC(C)Oc1cccc(NC(=O)NCCCc2ncc[nH]2)c1 299777320 OBBNFBVZURCHRB-UHFFFAOYSA-N 302.378 2.951 0 50 DFAA CC(C)(C)c1ccc(OCc2nc(C3(CO)CC3)n[nH]2)cc1 828685375 KCUJCTJOORMING-UHFFFAOYSA-N 301.390 2.705 0 50 DFAA C[C@@H](CCn1cccn1)NCc1cnn(-c2ccc(F)cc2)c1 584892231 NXYMEZIUJIVZFU-AWEZNQCLSA-N 313.380 2.776 0 50 DFAA O=C(O)[C@H](c1ccsc1)N1CCC(Oc2cccnc2)CC1 95378583 VWXRLFQHRMMJAO-HNNXBMFYSA-N 318.398 2.812 0 50 DFAA Cc1noc([C@H]2COCCN2Cc2ccc(Cl)cc2F)n1 189180934 VDGPSZNKXPJYOO-CYBMUJFWSA-N 311.744 2.744 0 50 DFAA c1cc2c(cc1-c1noc(CN[C@@H]3CCC[C@H]4C[C@H]43)n1)OCO2 646091958 HLODPADRCDFSIZ-CYZMBNFOSA-N 313.357 2.744 0 50 DFAA C[C@H](NC1CCN(c2ncccn2)CC1)c1ccc2c(c1)CCO2 192973157 USSUYDXJULYZIE-AWEZNQCLSA-N 324.428 2.731 0 50 DFAA O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccccn2)o1 675733225 AMXNLUQUBQGFGG-UHFFFAOYSA-N 308.297 2.574 0 50 DFAA C[C@@H](C(=O)NC1(c2ccccc2Cl)CCC1)n1cncn1 585090134 AGPOOCVINYKIDG-NSHDSACASA-N 304.781 2.688 0 50 DFAA Brc1cnccc1CN=c1nc(C2CC2)[nH]s1 585135018 UOGNZBZBPCQGME-UHFFFAOYSA-N 311.208 2.607 0 50 DFAA O=C([C@@H]1C[C@]12CCCNC2)N1CCC(Cc2ccccc2)CC1 655420303 OPPGLSWCWKPGGW-ICSRJNTNSA-N 312.457 2.857 0 50 DFAA CCN(CC)c1ccc(C(=O)Nc2cnc3n2CCCC3)cn1 1615627054 QHVONVWPHRLQIZ-UHFFFAOYSA-N 313.405 2.713 0 50 DFAA Fc1ccc(-c2nc(-c3nc([C@@H]4CCCOC4)no3)no2)cc1 1616031392 VULUYOOYPNVKAI-SNVBAGLBSA-N 316.292 2.820 0 50 DFAA CN(CCCOc1ccccc1Cl)CC[C@H]1COCCO1 1775976989 COGMOXATICVJSM-AWEZNQCLSA-N 313.825 2.846 0 50 DFAA COc1ccc(O)c(C2=NCCNC(C(F)(F)C(F)F)=C2)c1 19706723 DMHLLHQJXIRWLT-UHFFFAOYSA-N 318.270 2.577 0 50 DFAA Cc1ccc2ncnc(N(C)CC[C@H](O)c3ccccc3)c2n1 1857695230 AJLBVIYKYIJMMH-INIZCTEOSA-N 308.385 2.893 0 50 DFAA CO[C@H]1CCC[C@H](CC(=O)Nc2ncccc2NC(C)=O)C1 331043461 FKQILLKAESDNBA-STQMWFEESA-N 305.378 2.574 0 50 DFAA O=C(c1cc(-c2ccc(-c3cn[nH]c3)cc2)c[nH]1)N1CCOCC1 1875242658 WVOXKOVFCKSLEH-UHFFFAOYSA-N 322.368 2.544 0 50 DFAA COCc1ccc([C@@H]2CCCN2C(=O)c2ncc(C)cc2O)o1 331854252 RULQZFJYFLMFBO-ZDUSSCGKSA-N 316.357 2.812 0 50 DFAA CNC(=O)NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 127076536 HIQCSCAXHGNEHX-MRXNPFEDSA-N 309.369 2.776 0 50 DFAA COc1ccccc1C(=O)NC[C@](C)(CO)Cc1ccccc1 252478413 ALWQIRFEGADZFL-LJQANCHMSA-N 313.397 2.666 0 50 DFAA CC(C)Cn1cccc(-c2nc(-c3cnsc3)no2)c1=O 904133226 MGTYSUYWJLJBHN-UHFFFAOYSA-N 302.359 2.678 0 50 DFAA CCn1cc(Cl)cc1C(=O)N1CCNC(=O)c2ccccc21 904412821 ZUYZMIJGXHDTFW-UHFFFAOYSA-N 317.776 2.552 0 50 DFAA CC(C)[C@H](C(=O)O)C(=O)NC1(c2ccc(F)cc2F)CCC1 909553984 SHOHAERNNVFJQK-ZDUSSCGKSA-N 311.328 2.817 0 50 DFAA O=C(CC1CCCCCC1)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910619561 JPQXIBBTCZTIPW-SWKXRBFHSA-N 323.433 2.876 0 50 DFAA Cc1cnn([C@@H]2CCN(C[C@H]3COC4(CCCCC4)O3)C2)c1 952880425 KJPKSJMYGMYQJH-CVEARBPZSA-N 305.422 2.514 0 50 DFAA C[C@@H](CCN(C)C)C(=O)NC[C@@H](C)COCc1ccccc1 952994737 UQXRGOKFEQYAPH-CVEARBPZSA-N 306.450 2.543 0 50 DFAA COC(=O)/C=C/CNC(=O)c1ccc(N2CCCCCC2)cc1 1875273034 YHGFIMPDIZITKZ-VOTSOKGWSA-N 316.401 2.526 0 50 DFAA O=c1cc(CO)occ1OCc1ncc(-c2ccccc2)s1 1875262375 NDYUTCUFAKRTFH-UHFFFAOYSA-N 315.350 2.835 0 50 DFAA CCOc1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 1875275480 ZOZGKVZOVPHOJH-UHFFFAOYSA-N 305.334 2.645 0 50 DFAA CC(C)C1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875293106 CJQYJTVFIFYPMY-NWDGAFQWSA-N 305.422 2.940 0 50 DFAA CC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1nccs1 1875285646 UWZHTANNRNTWHY-CYBMUJFWSA-N 304.419 2.938 0 50 DFAA CN(Cc1ccccn1)C(=O)[C@H](N)c1cccc(C(F)(F)F)c1 876787889 VUGAQOFNPJXXKN-CQSZACIVSA-N 323.318 2.759 0 50 DFAA CCc1cc(CNCc2cnn(-c3cccc(F)c3)c2)on1 1875391732 CCEFLVINAUKIAH-UHFFFAOYSA-N 300.337 2.852 0 50 DFAA Fc1cc(Cl)cnc1NCc1nnc([C@H]2CCCOC2)o1 886079016 BITDMQXBTOERRM-QMMMGPOBSA-N 312.732 2.763 0 50 DFAA Cc1noc(C)c1CSCC(=O)Nc1cc(F)nc(F)c1 1775997943 PSOYBGLLAVEAPV-UHFFFAOYSA-N 313.329 2.837 0 50 DFAA O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccn1 445950 JIRXQMGVOXNBFW-UHFFFAOYSA-N 311.370 2.598 0 50 DFAA Cc1nn(C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 1428588 JIXUXQOHMGQSCQ-UHFFFAOYSA-N 319.308 2.548 0 50 DFAA C[C@@H](c1ccccc1)N1CCC(Nc2ncc3ncnc-3[nH]2)CC1 2325780444 GXKMRFQNELYVHR-ZDUSSCGKSA-N 322.416 2.942 0 50 DFAA C/C(=C\c1cc(F)cc(F)c1)CN(C)C[C@H](O)c1ccnn1C 2325784323 UEKLARLQBILGHR-NIUUYTMRSA-N 321.371 2.767 0 50 DFAA Cc1ccc(-c2csc3ncn(CC(=O)O)c(=O)c23)cc1 98468 SJLMSNIMEWSQCH-UHFFFAOYSA-N 300.339 2.518 0 50 DFAA Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 327664 SCMJGYSDDVFMMS-UHFFFAOYSA-N 308.337 2.901 0 50 DFAA CN(C)c1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 1461182 CCGQNAIXVJYJRU-ZDUSSCGKSA-N 310.353 2.955 0 50 DFAA O=C(NCCc1ccccc1)[C@H]1CC(c2ccccc2F)=NO1 6738465 LXYVAGXDTYPRHI-QGZVFWFLSA-N 312.344 2.678 0 50 DFAA C[C@@H](NC(=O)COc1ccc(F)cc1Cl)[C@@H]1CCCO1 6741320 BGESBDLSAPLNGY-SKDRFNHKSA-N 301.745 2.542 0 50 DFAA Cc1ccccc1OCCN1CCNC(=O)C[C@H]1c1ccccc1 225532330 YUYGPIMOZGEMBX-SFHVURJKSA-N 324.424 2.937 0 50 DFAA O=C(OCc1conc1C(F)(F)F)c1cc(C2CC2)[nH]n1 225858585 QSLRLOCSBACUES-UHFFFAOYSA-N 301.224 2.651 0 50 DFAA CCN1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 20739338 RUJLTLKJZNTXHJ-UHFFFAOYSA-N 302.809 2.939 0 50 DFAA CC[C@H](C)Oc1cc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ccn1 248727853 CYSSYWIUDDQXJE-APHBMKBZSA-N 318.417 2.946 0 50 DFAA CCCc1cn(C2CCN(C[C@@H]3CCCN(CC)C3)CC2)nn1 55168559 XJCQMNHVHYPWTK-MRXNPFEDSA-N 319.497 2.599 0 50 DFAA Cc1ccc2c(C(=O)N(C)C)cc(-c3cnn(C)c3)nc2c1C 63847174 VMMSAIBMFJCJLD-UHFFFAOYSA-N 308.385 2.954 0 50 DFAA Fc1ccc(N2CCN([C@H]3CCCN(C4CCC4)C3)CC2)cc1 22914665 KATMUWLOAYXOBV-IBGZPJMESA-N 317.452 2.965 0 50 DFAA COc1ccc2c(ccn2CC(=O)NCc2ccccc2OC)c1 20735259 ILGWECPBOLTDBH-UHFFFAOYSA-N 324.380 2.975 0 50 DFAA CCOc1ccccc1CN1CCN(C2CCC2)C[C@@H]1CCO 20231767 RHDKGOWYJBZCNX-SFHVURJKSA-N 318.461 2.506 0 50 DFAA C[C@@H](CC(=O)Nc1cncnc1-n1cccn1)c1ccccc1 133656305 SJGXSSCCFDTVOO-ZDUSSCGKSA-N 307.357 2.795 0 50 DFAA CN(C)CCCn1ccc(-c2cccc(-c3cncnc3)c2)n1 20255117 QWWRMLFNOQJCHT-UHFFFAOYSA-N 307.401 2.959 0 50 DFAA CSc1ccc(-c2nc(CN3CCNCC3)c(C)o2)cc1 67821393 YZPQMSPAYNBKJT-UHFFFAOYSA-N 303.431 2.777 0 50 DFAA COc1ccc(C(=O)CN2CCN(c3ccccc3)CC2)cc1 39647907 VRHRIDLEWNUJGA-UHFFFAOYSA-N 310.397 2.700 0 50 DFAA CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O 1081342 FHEPEWKHTOVVAT-AWEZNQCLSA-N 316.357 2.914 0 50 DFAA biogenic,in-vitro CC[C@H](C)OC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OC 4119197 MOOCTZBECICCOY-SMDDNHRTSA-N 317.385 2.914 0 50 DFAA Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2nccs2)nc1 328633260 LXYLFYKWZDTJKQ-ZFWWWQNUSA-N 320.437 2.549 0 50 DFAA COc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c(C)c1C 252669463 HPJAUEHDONGRNA-WSMBLCCSSA-N 321.442 2.731 0 50 DFAA Cc1[nH]c2c(c1C(=O)NCCCc1ccccn1)C(=O)CCC2 219175740 PKTQWKWOXWDAGY-UHFFFAOYSA-N 311.385 2.600 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)NCCCc1ccncc1 215035682 UPIAJKABANMMDJ-UHFFFAOYSA-N 304.777 2.732 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)NCCCN2CCCC2)c1 72117475 DTYONTMSCHVAAX-MRXNPFEDSA-N 304.434 2.673 0 50 DFAA C[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)CCCC3)c2nccn21 333564640 XBXIHGJEOBWADZ-XHDPSFHLSA-N 311.389 2.984 0 50 DFAA CN(Cc1cc2n(n1)CCCNC2)Cc1cccc2cccnc12 72164934 RWJXZVHTYHSQCA-UHFFFAOYSA-N 321.428 2.557 0 50 DFAA Cc1cc(Cl)ccc1CNc1cccc(C(=O)NCCO)c1 130262127 MFXCZGLSQKANFK-UHFFFAOYSA-N 318.804 2.983 0 50 DFAA Cc1noc(C)c1CNC(=O)c1cc(Cc2ccccc2)[nH]n1 339799972 BBQYMRNRKJUBPM-UHFFFAOYSA-N 310.357 2.535 0 50 DFAA CSC[C@@H]1CCCN(C(=O)c2cccc3nccnc23)C1 97394038 LINWJKFVNVMQEA-GFCCVEGCSA-N 301.415 2.845 0 50 DFAA CC1(C)C[C@H]1C(=O)N(CCCn1ccnc1)Cc1cccnc1 426470827 RLLCMUORDYBYOH-INIZCTEOSA-N 312.417 2.743 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)N2CCCc3ccccc3C2)n[nH]1 178526979 SRDRKSVWZHSBTP-ZDUSSCGKSA-N 312.417 2.807 0 50 DFAA CCNC(=O)c1ccc(-c2ccc(CC(=O)OC)cc2)cc1F 97757231 CYMDROPPSJUMMG-UHFFFAOYSA-N 315.344 2.958 0 50 DFAA CCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2C 97600972 BOBZSXQGGMKMNM-HNNXBMFYSA-N 316.401 2.623 0 50 DFAA OC[C@]1(CC2CC2)CCCN(C2CSCCSC2)C1 91575372 RIDZFKWSUAEWQV-HNNXBMFYSA-N 301.521 2.710 0 50 DFAA Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H]2CC=CCC2)nn1 179401559 HGZDRGYWEQTKQX-CYBMUJFWSA-N 300.337 2.553 0 50 DFAA COc1ccc(F)c(F)c1CN1C[C@@H](N(C)C)[C@H](C(C)C)C1 95504304 PGEBIZIFJYDUEB-SWLSCSKDSA-N 312.404 2.991 0 50 DFAA CC(C)n1ccnc1CNC(=O)Nc1ccc2c(cnn2C)c1 96141916 IUHCIBPPBQOMJX-UHFFFAOYSA-N 312.377 2.672 0 50 DFAA Cn1ccnc1[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 95508431 AARVXDUGERGLMX-NSHDSACASA-N 314.414 2.983 0 50 DFAA COCCc1nc(Cc2cccs2)nn1CC(F)(F)F 824462533 YIFHCKNPAJCJDA-UHFFFAOYSA-N 305.325 2.682 0 50 DFAA Clc1cnc(NC2(CN3CCOCC3)CCCCC2)nc1 825608280 AWRNTBVKSHBVLA-UHFFFAOYSA-N 310.829 2.577 0 50 DFAA Cc1ccc(SC2CCN(CCn3cnnc3)CC2)cc1 670457988 DSMSBAOAINWSEM-UHFFFAOYSA-N 302.447 2.843 0 50 DFAA Cc1ccc([C@@H](O)CNC(=O)Cc2ccc3nc(C)[nH]c3c2)cc1 670473355 NOFGXSSYTNVFJR-SFHVURJKSA-N 323.396 2.572 0 50 DFAA CC(=O)N1CCC(c2nc(-c3cccc4c3ccn4C)n[nH]2)CC1 670459549 PRORCVSQPSHVLV-UHFFFAOYSA-N 323.400 2.689 0 50 DFAA CCS(=O)(=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 670441521 IGGYMPAEUKZYMR-CQSZACIVSA-N 311.378 2.880 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N1CCC(c2cc[nH]n2)CC1 670439987 VTWIVWNZCNTLRY-UHFFFAOYSA-N 321.327 2.716 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](N)c3ccccc3O2)C1 685943875 GAOYLRFKWCYDDW-GUYCJALGSA-N 304.390 2.849 0 50 DFAA CCOc1cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)ncn1 275698422 RKAMKFNEEAJMSW-CQSZACIVSA-N 313.405 2.819 0 50 DFAA Cc1cccc(-c2cncc(C(=O)N[C@H](C)c3ncon3)c2)c1 170069385 IXFIRGKJDZMWKF-GFCCVEGCSA-N 308.341 2.931 0 50 DFAA CC(C)(C)n1cc(C(=O)N(CC(F)(F)F)C2CCC2)nn1 191917208 VQPYEEUYOTVPIR-UHFFFAOYSA-N 304.316 2.590 0 50 DFAA CCn1ccnc1CN(Cc1cccc(F)c1)[C@H](C)C(=O)O 1615554018 VUUGUWSPCMIQEE-GFCCVEGCSA-N 305.353 2.517 0 50 DFAA CCC[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1NC(C)=O 216928888 LOPNGERWXOGUHT-QWRGUYRKSA-N 314.838 2.778 0 50 DFAA Cc1cc(Br)cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1 135347073 RGMJWAHLJBMDKZ-MFKMUULPSA-N 312.207 2.600 0 50 DFAA C/C=C(\C)CN1CCC(=O)N(Cc2cccc(OC)c2)CC1 12160727 QVKPMZFLNBYSEE-SYZQJQIISA-N 302.418 2.696 0 50 DFAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)C1CC1)C2 12243998 KZGRQIILJMVDGH-OAHLLOKOSA-N 308.381 2.887 0 50 DFAA CN(Cc1cccnc1)C(=O)c1coc(COc2ccccc2)n1 12305895 JIBDOMYARIXIJX-UHFFFAOYSA-N 323.352 2.921 0 50 DFAA C1=CC[C@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 19633368 UTOCJUCVDDVQCG-INIZCTEOSA-N 314.429 2.889 0 50 DFAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3ccon3)C2)c1 12072757 QBRWBWJQWFGDKF-CQSZACIVSA-N 300.358 2.778 0 50 DFAA Cc1cnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)nc1C 301882650 ITBMOACDGMSFEW-INIZCTEOSA-N 324.428 2.740 0 50 DFAA COC[C@@]1(C)CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 452358791 FIMUPCVQWAUUMI-KRWDZBQOSA-N 305.422 2.956 0 50 DFAA COc1ccc(CC(=O)N2CC[C@@H]2c2ccccc2F)nc1 365326582 WNRZMWYBNJCDOH-MRXNPFEDSA-N 300.333 2.745 0 50 DFAA c1cncc([C@@H](NC2CC(N3CCCCC3)C2)c2ncc[nH]2)c1 373521068 JTXCRBPNPJVJJW-OFLPRAFFSA-N 311.433 2.501 0 50 DFAA O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[C@@H](Cc2ccccc2)C1 378113800 XTXJFEXRSILBSX-HOTGVXAUSA-N 324.428 2.541 0 50 DFAA CCOc1cc(N2CCC[C@H](c3ccnc(C)n3)C2)nc(C)n1 585098356 PGEDHGSFDVYWLS-AWEZNQCLSA-N 313.405 2.666 0 50 DFAA Cc1c(F)cccc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 263145532 HBUAJQKLHWBZKG-CYBMUJFWSA-N 319.254 2.613 0 50 DFAA Cc1cccc(C(=O)NCCN[C@@H](C2CCC2)[C@@H]2CCOC2)c1 864097430 VUIKWWUDROBGAW-MSOLQXFVSA-N 316.445 2.520 0 50 DFAA CN(CCCC(=O)Nc1ccccc1)C(=O)N1C[C@H]2CC[C@H]2C1 1875290403 BNXBRPADFZQLCY-GASCZTMLSA-N 315.417 2.799 0 50 DFAA CC(C)n1ncc2c(C(=O)N[C@@H]3C[C@@H]3F)cc(C3CC3)nc21 1875297045 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O=C(c1cnc(O)c(Cl)c1)N1CCc2ccccc2CC1 2100540475 JOBOSEJONLUGNQ-UHFFFAOYSA-N 302.761 2.682 0 50 DFAA O[C@@H]1CCN(Cc2cccc(NCc3ccnc4[nH]ccc34)c2)C1 2325737365 RNWIUPYRYKVROV-QGZVFWFLSA-N 322.412 2.742 0 50 DFAA CC(=O)N1C[C@@H]2CCC[C@@H](NCc3nccc4ccccc34)[C@H]2C1 894786210 BZYCZWZNPPSLRW-YTQUADARSA-N 323.440 2.971 0 50 DFAA COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O 115809 FCIHHZLZCQQREA-CQSZACIVSA-N 310.353 2.748 0 50 DFAA COc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1O 202262 HZXPSZZFGSDEHZ-UHFFFAOYSA-N 316.376 2.862 0 50 DFAA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2F)NC(=S)N1 521366 HMBDDRKLENLDSJ-ZDUSSCGKSA-N 322.405 2.960 0 50 DFAA COc1cccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1 533812 RHGYQZOVAJOWTB-GOSISDBHSA-N 311.337 2.806 0 50 DFAA CC(C)(C)[C@@H]1CC[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C(=O)C1 4111748 VNXXYFWGVZJSLC-SUFBMKPHSA-N 301.386 2.858 0 50 DFAA c1ccc(OCCn2c(N3CCOCC3)nc3ccccc32)cc1 4386077 AAFCCOALBACOSP-UHFFFAOYSA-N 323.396 2.952 0 50 DFAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1 8132941 VRGIEBZERGTIMZ-UHFFFAOYSA-N 312.778 2.935 0 50 DFAA CCc1cccc(C)c1NC(=O)c1cnc2sccn2c1=O 10404942 JHOAFLNYVFRPFW-UHFFFAOYSA-N 313.382 2.879 0 50 DFAA COc1cc(CNC(=O)c2ccccc2C)cc(OC)c1OC 10542728 BVUWWDPMRJGNHP-UHFFFAOYSA-N 315.369 2.951 0 50 DFAA Cc1ccccc1NC(=O)[C@H](C)NC(=O)c1cccc(F)c1 20292870 AKABRLQNRPRCPZ-LBPRGKRZSA-N 300.333 2.891 0 50 DFAA OCC[C@@H]1CN(C2CCCC2)CCN1CCCc1ccccc1 20352178 DSRRKGGPUJFDAD-HXUWFJFHSA-N 316.489 2.930 0 50 DFAA Cc1ccccc1CSCc1nc2c([nH]1)CCCNC2=O 65370658 PTIBBCZHGTTWEK-UHFFFAOYSA-N 301.415 2.828 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(C2CC2)s1 248148804 SRIJKHINXDHQQS-CHWSQXEVSA-N 305.447 2.719 0 50 DFAA c1ccc(CCc2nc([C@@H]3CCOC3)n(-c3ccccn3)n2)cc1 65394027 XMGXBFIQIKVRLL-MRXNPFEDSA-N 320.396 2.951 0 50 DFAA CC(C)CN1CC[C@H](CNC(=O)c2cccc3cccnc23)C1 67587941 REAYGDFZZHPJGW-OAHLLOKOSA-N 311.429 2.943 0 50 DFAA NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCC2 37917 APSCBHPLIJURCC-UHFFFAOYSA-N 304.346 2.727 0 50 DFAA C[C@H]1CCCN1C1CCN(C(=O)c2cc(C3CC3)on2)CC1 252551318 UBSNKGMNGNURPK-LBPRGKRZSA-N 303.406 2.641 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)COCc1ccccc1Cl 121779834 LPHJCDOHABEDJI-WFASDCNBSA-N 310.825 2.585 0 50 DFAA CNC[C@H]1CCCN(C(=O)/C=C(/C)Cc2ccccc2OC)C1 237307223 MOUIJBUOFKOWGQ-RTYFKUQISA-N 316.445 2.642 0 50 DFAA O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2N1 262429141 IRONBASHNZPDLX-XKQJLSEDSA-N 310.401 2.732 0 50 DFAA COc1ccc(F)c(CN2CCC[C@H](Cn3ccnc3)C2)c1 72125436 WRQBQCAYDCYSIA-AWEZNQCLSA-N 303.381 2.943 0 50 DFAA CC1(C)C[C@H](NC(=O)CCn2cnc3ccccc32)CCO1 155615438 AQPMRFONTKECML-CYBMUJFWSA-N 301.390 2.500 0 50 DFAA COc1cccc(-c2cccc(CN3CCOC[C@@H](O)C3)c2)c1 77470426 GXYXAYOVQXUWEJ-SFHVURJKSA-N 313.397 2.555 0 50 DFAA Cc1ccccc1OC1CCN(C(=O)[C@@H](O)CC(C)C)CC1 77438056 VMTWOMSWFLEPDE-INIZCTEOSA-N 305.418 2.772 0 50 DFAA Cc1cccc(Cc2cnc(-n3nnc(C(=O)O)c3C)s2)c1 138878173 HRDOOUXYLALZER-UHFFFAOYSA-N 314.370 2.630 0 50 DFAA COc1cccc(C2CCN(C(=O)Cc3cc(C)on3)CC2)c1 172120222 RROMXXKPNPHXSO-UHFFFAOYSA-N 314.385 2.940 0 50 DFAA C[C@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2c2ccco2)C1 242273676 YEXYKWAOVTVWEE-KBPBESRZSA-N 312.435 2.783 0 50 DFAA CCN1CC[C@H](NC(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 242339147 ZFHMNQJNWGSLKY-DZGCQCFKSA-N 312.335 2.765 0 50 DFAA O=C(O)c1ccnc(C(=O)N2CCC[C@H]2c2cccs2)c1 263448547 ZMGGTACZXULOHW-LBPRGKRZSA-N 302.355 2.819 0 50 DFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc[nH]n2)C1 263748227 BJCSJBORFPTJRC-GFCCVEGCSA-N 318.808 2.628 0 50 DFAA Cc1ccc2c(CC(=O)N[C@@H]3CCc4c[nH]nc4C3)coc2c1 426599762 PHJFTOKESDYOMZ-CQSZACIVSA-N 309.369 2.681 0 50 DFAA Cc1cc2oc(=O)cc(CN3CCN(C)CC3)c2cc1Cl 20412513 UOYMMMBMKPLQQD-UHFFFAOYSA-N 306.793 2.502 0 50 DFAA biogenic O=C(O)C[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 89714501 JRXGIULBKKIIKM-NSHDSACASA-N 303.280 2.882 0 50 DFAA CN(C)C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)C[C@@H]1CO 91849090 MJIVDVSYXQAXOB-NHCUHLMSSA-N 324.468 2.956 0 50 DFAA C[C@H](c1cccc(-c2cn(CCN3CCCC3)nn2)c1)N(C)C 91781758 ASYSUVIKFJOMDY-OAHLLOKOSA-N 313.449 2.664 0 50 DFAA Cc1cc(Cn2cc(-c3ccc([C@@H](C)N(C)C)cc3)nn2)n[nH]1 91550650 VIICPRABFGOXQT-CYBMUJFWSA-N 310.405 2.648 0 50 DFAA Cc1cnc(CNC(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)cn1 91726007 JROAUETWRZGYDM-SFHVURJKSA-N 313.376 2.908 0 50 DFAA CN(Cc1ccc(CN2CCCC2)s1)Cc1nccn1C 97213103 GDIBGZMABSXHOC-UHFFFAOYSA-N 304.463 2.709 0 50 DFAA Cc1[nH]c2c(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)cccc2c1C 91351049 JWQWRJDZLMWVKV-HUUCEWRRSA-N 311.429 2.951 0 50 DFAA CCN1CC2(CCC1=O)CCN(c1cc(C)nc(C)c1)CC2 95373987 AOCXMCCKDOSPPA-UHFFFAOYSA-N 301.434 2.927 0 50 DFAA Cc1nc(CC2CCN(Cc3n[nH]c(C)c3Cl)CC2)no1 97156157 CHGUTZWFZRYSSC-UHFFFAOYSA-N 309.801 2.518 0 50 DFAA CN(Cc1ccccc1Cn1cccn1)Cc1n[nH]c2c1CCC2 97575041 DYWLFSXZMIKUGN-UHFFFAOYSA-N 321.428 2.775 0 50 DFAA COc1cccc([C@@H]2CN(C3CCCC3)C[C@H]2C(=O)O)c1OC 91486798 ZSWCKCPMHHTSBH-LSDHHAIUSA-N 319.401 2.746 0 50 DFAA CC(=O)N[C@@H]1CN(Cc2nc3ccccc3s2)C[C@H]1C(C)C 95517579 HCKZMAFAJRJFKH-DZGCQCFKSA-N 317.458 2.889 0 50 DFAA CCOc1ccccc1OCCN1CCC2(CCNCC2)C1 244691577 JFEMEHQKXJCSCU-UHFFFAOYSA-N 304.434 2.540 0 50 DFAA COc1ccc2nc(N3CC[C@H](n4cc(C)cn4)C3)c(C)nc2c1 293118417 QUORUTSKPOQAPZ-AWEZNQCLSA-N 323.400 2.903 0 50 DFAA CC[C@@H](NC(=O)c1cc(OC)c2ccccc2n1)[C@H]1C[C@H](O)C1 244794788 QTLPNEPSYUUGGG-YRGRVCCFSA-N 314.385 2.523 0 50 DFAA CN(C(=O)[C@H]1CCn2ccnc2C1)c1ccc(F)c(Cl)c1 182141172 AOJLDPYBZLGUCY-JTQLQIEISA-N 307.756 2.901 0 50 DFAA O=C(NCC1CCCCC1)N[C@H]1COC[C@H]1Cc1ccncc1 1940197818 UEIPGSNOUNTRNS-SJORKVTESA-N 317.433 2.519 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)NC[C@@H]2CCN(CC(C)C)C2)c1C 299772155 ZCORRRDXWVCZGP-HNNXBMFYSA-N 319.449 2.542 0 50 DFAA Cc1cc(-c2cccc(C(=O)NCC3CCNCC3)c2)ccn1 299801697 XFRHWCAREVKLTM-UHFFFAOYSA-N 309.413 2.786 0 50 DFAA CCN1CC[C@H](NC(=O)N(C)CCSc2ccccc2)C1 584901233 IBCSLFFQWRIKOM-AWEZNQCLSA-N 307.463 2.514 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](N)c3ccccc3O2)C1 685943876 GAOYLRFKWCYDDW-SUMWQHHRSA-N 304.390 2.849 0 50 DFAA CCc1nc(CNC(=O)c2cnn(CC(C)C)c2C2CC2)co1 1361557165 QEWIYWCJICTPKN-UHFFFAOYSA-N 316.405 2.897 0 50 DFAA OC[C@H]1CCCN(CCNc2ncc(Cl)cc2Cl)C1 952860056 AZTVOKYWRSHMDX-JTQLQIEISA-N 304.221 2.505 0 50 DFAA CC[C@H]1[C@H](NC(=O)c2cc(CC(C)C)nn2CC)[C@H]2CCO[C@@H]12 1565531342 JTUSOQAQZNLMAZ-FSDCSDTHSA-N 319.449 2.645 0 50 DFAA CO[C@H]1CCCN(C(=O)N=c2cc[nH]cc2-c2ccccc2)C1 1467199223 AFFVCIJVIYYBIN-HNNXBMFYSA-N 311.385 2.813 0 50 DFAA CCC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCOc2ccccc21 271011895 ZLFIFANMNNPXGD-CABCVRRESA-N 301.386 2.913 0 50 DFAA C[C@H](Oc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1F)C(=O)O 630260004 TXIPQWTZPPVPDJ-WDEREUQCSA-N 307.321 2.972 0 50 DFAA COCC1=CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1 186232417 WYNYZOQRSDUEOE-UHFFFAOYSA-N 302.349 2.655 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H]2CCCS2)cc1 170594843 ZAEWSLMTFILGJQ-ZIAGYGMSSA-N 313.488 2.642 0 50 DFAA Cc1ccc(=O)n(CC(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)n1 170602377 HMWQDMBAFZBOHW-HUUCEWRRSA-N 319.449 2.663 0 50 DFAA CO[C@@H]1CCC[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 170607680 NFRWWGXWSJDXNT-VHSXEESVSA-N 302.296 2.788 0 50 DFAA CN(C)C1(C)CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1 585129005 UGTPDIUUNYAVDL-UHFFFAOYSA-N 318.314 2.799 0 50 DFAA CCOC(=O)c1n[nH]c([C@H](CC(C)C)N[C@H](C)CC2CC2)n1 585116673 FAYFDGRHSOYELA-YPMHNXCESA-N 308.426 2.847 0 50 DFAA CC(C)(CCCNc1ncnc2ncccc12)C1OCCO1 195545108 OJNGLIHXFKJTMQ-UHFFFAOYSA-N 302.378 2.616 0 50 DFAA CCc1nocc1CN(C)C(=O)c1c(F)cc(OC)cc1F 1615613427 WPUXDFGMZRMDNX-UHFFFAOYSA-N 310.300 2.796 0 50 DFAA C[C@@H](NC(=O)c1ccc(Br)s1)[C@H]1CCCO1 1056671 HIOQDZBEJGRRTQ-HTQZYQBOSA-N 304.209 2.808 0 50 DFAA CCCn1nc(C)cc1NC(=O)c1cc(OC)ccc1OC 1529172825 PMKHTMGRJJNTPI-UHFFFAOYSA-N 303.362 2.871 0 50 DFAA Cc1cc(Cl)ccc1CN(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704300852 AEJAVCDQVXNHIM-IJEWVQPXSA-N 306.837 2.995 0 50 DFAA O=C(CCC(F)(F)F)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775977676 LRUPQMMFUOHALT-CYBMUJFWSA-N 301.312 2.559 0 50 DFAA COc1ccc(NC(=O)c2ccc3nnsc3c2)c(OC)c1 11692754 VYYKYFKBJHCWSA-UHFFFAOYSA-N 315.354 2.961 0 50 DFAA Cc1c(C(=O)CSc2nccc(O)n2)c2ccccc2n1C 17903948 SQZQIWZHWREEJX-UHFFFAOYSA-N 313.382 2.957 0 50 DFAA c1coc(Cn2ncc3[nH]c(-c4cccc5nonc45)nc32)c1 19740482 OUDVMYKKQAIUQZ-UHFFFAOYSA-N 306.285 2.604 0 50 DFAA Cc1ccc(F)cc1-c1noc(CSc2nnc(N)s2)n1 19800428 PGNWPUUFKOBZCE-UHFFFAOYSA-N 323.378 2.910 0 50 DFAA COc1cc(=O)n2c(c1C(=O)NC1CCCCCC1)CCCC2 169752831 NIXTTYPVJISBCT-UHFFFAOYSA-N 318.417 2.646 0 50 DFAA C[C@H]1CN2C[C@H](NC(=O)c3ccc(C(C)(C)C)cc3)C[C@H]2CO1 1857717764 XKCXITUAUCPPIK-XKQJLSEDSA-N 316.445 2.576 0 50 DFAA Cc1ccccc1OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C 2710237 SOSJBBSTVSPUQD-MRXNPFEDSA-N 321.461 2.749 0 50 DFAA CN(Cc1ccc(OC(F)(F)F)cc1)CC1(O)CCOCC1 152916867 JHIBAZLCZDBVOB-UHFFFAOYSA-N 319.323 2.559 0 50 DFAA O=C(c1cccc2c1OCO2)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 407961296 CPKHTLRWZQQKSA-NWANDNLSSA-N 317.385 2.571 0 50 DFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)C1CCCC1 709977906 WGKBEJLYSKUCCM-IRXDYDNUSA-N 303.402 2.667 0 50 DFAA COc1cc(CN[C@H]2c3ccccc3CC[C@@H]2CO)ccc1O 225670759 GXUGIIDWBXFUMU-DNVCBOLYSA-N 313.397 2.786 0 50 DFAA Cn1cc(C(=O)N=c2cc[nH]cc2)c(-c2ccc(Cl)s2)n1 355180497 WRTWHKIZWQAXTC-UHFFFAOYSA-N 318.789 2.871 0 50 DFAA CCC(C)(C)OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 20727188 LHKPKQGGTMKYHG-QGZVFWFLSA-N 324.440 2.514 0 50 DFAA Cc1oc2ccccc2c1CC(=O)N1CC(F)(F)C[C@@H]1CO 372553595 MZDJEVZPTHWXEQ-LLVKDONJSA-N 309.312 2.512 0 50 DFAA COc1cc(OC)cc([C@@H]2CCN(Cc3ncccc3O)C2)c1 585084328 BZLARQGNTQGOSN-CYBMUJFWSA-N 314.385 2.794 0 50 DFAA O=C(c1ncn2c1COc1ccccc1-2)N1CC=CCC2(CC2)C1 1875309860 RIQNHVLPQWURFI-UHFFFAOYSA-N 321.380 2.947 0 50 DFAA c1ncc(CCc2nc([C@@H]3CC[C@H]4COCC[C@H]4C3)no2)cn1 1875308105 YTNXKOJKTWGYMR-ZNMIVQPWSA-N 314.389 2.565 0 50 DFAA Cc1cnn(C[C@@H](C)NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 888094249 BGWDTYXBTFHYRO-HZPDHXFCSA-N 316.449 2.966 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)CCc2ccccc2C)C1 888077799 VNIDLKMNLCOHKV-HZPDHXFCSA-N 313.401 2.639 0 50 DFAA O=C1[C@@H](Nc2nccnc2Cl)CCCN1Cc1ccccc1 893031620 DFBIKCJCWIIDIG-ZDUSSCGKSA-N 316.792 2.733 0 50 DFAA CCc1cncc(C(=O)N2CCCc3ccnc(N(C)C)c32)c1 894156734 OILPVOKDJQXMFC-UHFFFAOYSA-N 310.401 2.698 0 50 DFAA C[C@H]1CN(c2ccncc2)CCN1C(=O)c1cc(F)cc(F)c1 895280115 ZSAAFDAYLQITSL-LBPRGKRZSA-N 317.339 2.711 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 899834491 JIYYQKMTWRITMF-JWZBEHFJSA-N 301.386 2.578 0 50 DFAA Cc1ccccc1[C@@H]([C@@H](C)N=c1[nH]cnc2cnccc12)N(C)C 2325751987 NPURETQAIPKSSF-RDTXWAMCSA-N 321.428 2.858 0 50 DFAA O=C(c1ccc2c(c1)NCCCN2)N1CCC[C@@H]1c1ncc[nH]1 2325812104 LYBFHRILVCQJFN-OAHLLOKOSA-N 311.389 2.615 0 50 DFAA c1ccc2c(-c3noc(C4(N5CCNCC5)CC4)n3)cccc2c1 2325825946 ISNCVNRVQJCFAN-UHFFFAOYSA-N 320.396 2.784 0 50 DFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccs2)c1 29356 WZVDIXFDNGAMOO-UHFFFAOYSA-N 319.338 2.574 0 50 DFAA COc1ccc(CN2CCN(c3ccccc3F)CC2)cc1O 237802 TYQWNVKREOIFGY-UHFFFAOYSA-N 316.376 2.862 0 50 DFAA CCOc1ccc(OCC)c(S(=O)(=O)n2nc(C)cc2C)c1 264640 LPSOUXNGAPLUHJ-UHFFFAOYSA-N 324.402 2.534 0 50 DFAA C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1 295047 WXPRLJXHPFPOGM-KSSFIOAISA-N 311.381 2.964 0 50 DFAA CCOc1cccc(C(=O)NC(=S)Nc2ccccc2O)c1 456813 QPQXIYFBVSELHU-UHFFFAOYSA-N 316.382 2.918 0 50 DFAA CC(C)CNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 2820644 BOHIEBOCJNKRNS-UHFFFAOYSA-N 303.387 2.521 0 50 DFAA CCc1ccccc1NC(=O)CSc1nnc(C)n1CC 6725435 DVNPIVXNRXZWAQ-UHFFFAOYSA-N 304.419 2.900 0 50 DFAA O=C(N[C@@H]1CCc2nccn2C1)[C@H]1CCC[C@@H](C(F)(F)F)C1 222180139 KYSXNVXJRMWWRR-QJPTWQEYSA-N 315.339 2.683 0 50 DFAA Cc1cnn(C)c1C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 412365955 KQSYQMYOZGHNRF-AWEZNQCLSA-N 305.328 2.814 0 50 DFAA COc1ccc(OC)c(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)c1 104732477 CNXYMRWSASQIAE-KBPBESRZSA-N 315.369 2.940 0 50 DFAA CCc1nc(C)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)s1 225419900 RENULUNTVWPJLA-UHFFFAOYSA-N 323.462 2.847 0 50 DFAA CC[C@@H](C)N(Cc1cccnc1)Cc1nccn1CCOC 55182581 ALMCBJJHSHFIIF-OAHLLOKOSA-N 302.422 2.725 0 50 DFAA CC(C)NC(=O)NCC[C@@H]1CCCN(CCC(F)(F)F)C1 67805726 GWIRRLVJWIHWEI-LBPRGKRZSA-N 309.376 2.749 0 50 DFAA CC1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CC1 136397442 ICWPIIILCHTXOQ-UHFFFAOYSA-N 301.390 2.579 0 50 DFAA O=C(NCCCCOc1ccc(F)cc1)N1CCSCC1 298782603 UZCKEASBDLZKHW-UHFFFAOYSA-N 312.410 2.743 0 50 DFAA O=C(NCC[C@@H]1CCCN(CC2CCCC2)C1)C1CCOCC1 67983179 DTPVTNINGIYTAY-KRWDZBQOSA-N 322.493 2.822 0 50 DFAA O=C1Cc2cc(CNc3ncnc4c(F)cccc34)ccc2N1 252490209 KMABVQMSTRIMHH-UHFFFAOYSA-N 308.316 2.876 0 50 DFAA CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(F)C1 306145197 HRLXPPSNCJWXEO-UHFFFAOYSA-N 318.389 2.812 0 50 DFAA CCCC(O)(CCC)CC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252511624 IUVYFKTUCODQHZ-ULQDDVLXSA-N 322.493 2.651 0 50 DFAA CCn1cc(CNC(=O)c2cc(Br)cs2)cn1 2731403 OIQBWZMKAWCLMC-UHFFFAOYSA-N 314.208 2.657 0 50 DFAA O[C@@H](CN1CCC[C@@H](N2CCCC2)C1)c1ccccc1Cl 229246278 ARXRLDAKICEJLT-PBHICJAKSA-N 308.853 2.934 0 50 DFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 34792218 PKHHJECXXHOADW-IAGOWNOFSA-N 306.365 2.945 0 50 DFAA biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCC(C)(C)N(C)C 229503891 GTZHYKZYKOIXRS-PMPSAXMXSA-N 312.498 2.920 0 50 DFAA O=C(c1ccc[nH]1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71748342 RCTJDYHFKLLCME-QXAKKESOSA-N 321.424 2.717 0 50 DFAA O=C([C@@H]1CCC(F)(F)C1)N1CCN(CCc2ccccc2)CC1 358935007 NMFBRYBAFGDLRA-MRXNPFEDSA-N 322.399 2.809 0 50 DFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc2[nH]ccc12 238040671 PGGGVOBQYPARSN-QGZVFWFLSA-N 320.348 2.820 0 50 DFAA C[C@H](NC(=O)c1ncn(C(C)(C)C)n1)c1ccc(Cl)cn1 360718787 UINHZEXEBKYMTJ-VIFPVBQESA-N 307.785 2.573 0 50 DFAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCCC[C@H]2C)cc1 239306207 GNRJQDBYGXSGCJ-ZBFHGGJFSA-N 305.418 2.893 0 50 DFAA Cc1ccc(SCCC(=O)N[C@@H]2CCNC[C@@H]2C)cc1C 262700035 ANRRDVXVDHHLDZ-GOEBONIOSA-N 306.475 2.900 0 50 DFAA CCc1nc(N[C@H]2CC(=O)N(CC3CCCCC3)C2)ncc1C 72144749 HJYWEJSNEFQQRI-HNNXBMFYSA-N 316.449 2.941 0 50 DFAA Cc1ccc(C)c(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 47976919 AXNMIIMIBZEPJJ-UHFFFAOYSA-N 303.406 2.636 0 50 DFAA CCSCCC(=O)N1CCC[C@H](OCc2cccnc2)C1 220006330 MQNBWXZKFNBAHL-HNNXBMFYSA-N 308.447 2.732 0 50 DFAA C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCN(C)[C@@H](C)C1 240900792 IUABLPMUICLBIS-AVGNSLFASA-N 308.447 2.556 0 50 DFAA O=C1CCCc2cc(NC(=O)NC[C@H]3CCSC3)ccc2N1 241160509 JXWGHDPVBMJQPX-LLVKDONJSA-N 319.430 2.836 0 50 DFAA COC1CCC(N(C)C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 242155925 WUJOBCSKGVTDEQ-LYAPFXNSSA-N 304.434 2.739 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1ncc(F)cc1F 223495856 JJMRHVSVHJYTJW-JTQLQIEISA-N 309.341 2.932 0 50 DFAA O=C(CCc1ccc(F)cc1F)NCC1(Cn2cccn2)CC1 223509603 ATSGDHRDIPNJBT-UHFFFAOYSA-N 319.355 2.691 0 50 DFAA O=S(=O)(c1ccccc1Cl)N1CCO[C@H]2CCCC[C@H]21 230067319 OJQJZUOCJQBAHX-OLZOCXBDSA-N 315.822 2.672 0 50 DFAA O=C(Cc1cccnc1)N1CCC[C@H](c2nccn2CC2CC2)C1 95504141 CHZOUWMKXQADTH-KRWDZBQOSA-N 324.428 2.637 0 50 DFAA CCn1ccnc1CN1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2 95384291 PEPNFJLMRMDTDY-DLBZAZTESA-N 302.466 2.765 0 50 DFAA Cc1ccccc1N1CCCN(C(=O)[C@H](N)c2ccccc2)CC1 91416692 QBOXDCLMSKHABA-LJQANCHMSA-N 323.440 2.734 0 50 DFAA COc1ccccc1OCCCN1CC[C@@](O)(C2CC2)[C@H](C)C1 92047053 COQOSCYGXQNMRZ-BEFAXECRSA-N 319.445 2.947 0 50 DFAA Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 239310479 IMDFZIJZZVRMEW-AFHWFKKNSA-N 301.386 2.919 0 50 DFAA COc1ccccc1C[C@@H](C)CC(=O)N1CC[C@](C)(C(=O)O)C1 237193173 KNXFQEGNBWAGKK-ACJLOTCBSA-N 319.401 2.587 0 50 DFAA COc1ccc(NC(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c(C)c1 95506006 AHZRPYJYGYGVDG-CYBMUJFWSA-N 319.405 2.525 0 50 DFAA COCCC1CCN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1 95353302 XQHAXTGFBBMBNM-QGZVFWFLSA-N 322.424 2.704 0 50 DFAA CC(C)=CCC/C(C)=C/CN1Cc2nc[nH]c2C[C@H]1C(=O)O 97532238 MFMLZHBCLMCXGL-UDYBNVKDSA-N 303.406 2.914 0 50 DFAA COCc1ccc(C(=O)NCCCN2CCc3ccccc32)o1 97674060 ISDHQHPHOZYWDB-UHFFFAOYSA-N 314.385 2.609 0 50 DFAA O[C@H]1C[C@@H](c2cc(NC3CCN(c4ccccc4)CC3)ncn2)C1 243932043 BRSAOTODIUBYRO-KDYLLFBJSA-N 324.428 2.796 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)Nc1ccc(O)c(OC)c1 438108452 GRDZMGMJBSYGIF-UHFFFAOYSA-N 303.362 2.993 0 50 DFAA OCC[C@@H](CNc1ncnc2c1ncn2C1CC1)c1ccccc1 292650248 GNGOKWJGEIFMIO-AWEZNQCLSA-N 323.400 2.739 0 50 DFAA CCc1cccc(CC)c1NC(=O)CCN1CCC[C@@H](O)C1 244884152 YGKBLWSVAIZLNY-MRXNPFEDSA-N 304.434 2.597 0 50 DFAA CC[C@H](NC(=O)CSCCN1CCCC1)c1cc(C)ccn1 299789108 WYLVXGNQJJGIHM-HNNXBMFYSA-N 321.490 2.786 0 50 DFAA COc1ccc(C2(CNC(=O)c3cncn3C)CCCC2)cc1 299765676 PVJIGKURLVUZDC-UHFFFAOYSA-N 313.401 2.671 0 50 DFAA Cc1cc(CC(=O)NCc2nc3ccccc3n2C(C)C)on1 299768071 IKTATYDIQHDZCU-UHFFFAOYSA-N 312.373 2.773 0 50 DFAA CCCOc1c(Cl)cccc1NC(=O)CCS(C)(=O)=O 952988268 NCCLGLXWRIALSV-UHFFFAOYSA-N 319.810 2.502 0 50 DFAA CC[C@@H]1CN(c2ncnc3ccc(F)cc23)CCN1CC(F)F 301864702 FSIOGAJJIKIRDL-GFCCVEGCSA-N 324.350 2.935 0 50 DFAA CCCCN(CCCC)C(=O)CCCCCCS(N)(=O)=O 408521417 SUGWODCWNLZCEY-UHFFFAOYSA-N 320.499 2.654 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCO[C@H](C(C)C)C2)c1 271677697 MESWZBYYAKMIQX-GJZGRUSLSA-N 311.447 2.785 0 50 DFAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc2cc(F)ccc2o1 275448083 GIKVBMFVFRKESU-ZUZCIYMTSA-N 316.336 2.890 0 50 DFAA CCN(Cc1ccc(OC)cc1OC)C(=O)[C@H]1CCCO[C@H]1C 276584976 NOJCGYABJMDPFQ-BBRMVZONSA-N 321.417 2.867 0 50 DFAA O=C(N[C@@H](CO)Cc1ccc(F)cc1)C1(c2ccccc2)CC1 276735773 CEQDJEJLVHTQKA-QGZVFWFLSA-N 313.372 2.577 0 50 DFAA CCCN(CC(=O)O)C(=O)c1ncoc1-c1ccc(C)cc1 170078251 HXXAKGSNUJVDAF-UHFFFAOYSA-N 302.330 2.587 0 50 DFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)CC(C)(C)C2CC2)CC1 585085772 WHKBMFPQGNCRMD-INIZCTEOSA-N 319.449 2.518 0 50 DFAA C[C@@H](C(=O)NCC(=O)Cc1cccc(Br)c1)C1CC1 585083354 URUCEHLIWFSBSE-SNVBAGLBSA-N 324.218 2.723 0 50 DFAA O=C1CCN(C(=O)c2cc(F)cc3cccnc23)[C@@H](C2CC2)C1 585125179 JGBVMSMBQRGATF-MRXNPFEDSA-N 312.344 2.958 0 50 DFAA O=S(=O)(Nc1ccsn1)c1ccc(Br)cc1 705833109 DPOXHLKMWZOONZ-UHFFFAOYSA-N 319.205 2.706 0 50 DFAA C[C@H](Cc1ccccc1F)NCc1nc([C@@H]2CCCO2)n[nH]1 655795161 YTWBLSNUYXYCFR-RISCZKNCSA-N 304.369 2.516 0 50 DFAA COC(=O)C[C@@H](NC(=O)c1cc(C)ccc1C)c1ccccn1 1615613602 BBEHBMDFTGTYHF-MRXNPFEDSA-N 312.369 2.733 0 50 DFAA C[C@@](O)(CN1CCCCC[C@@H]1/C=C/c1ccccc1)C(=O)O 1616031805 UITDXOYWPHWXNO-OFHUKCQUSA-N 303.402 2.780 0 50 DFAA CC(C)(CN[C@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccccc1 1647413314 MWAIZCAJTGLHCC-RCDNUKIMSA-N 317.429 2.966 0 50 DFAA CSC[C@H](NC1CCN(c2cccc(C)c2C)CC1)C(=O)O 1506399926 RJDFHZXMDQSVQO-HNNXBMFYSA-N 322.474 2.678 0 50 DFAA C[C@H]1C[C@H](C(=O)O)CN(c2cncc(-c3ccc(F)cc3)n2)C1 1857529246 BFPHEVKBOAFTKM-AAEUAGOBSA-N 315.348 2.830 0 50 DFAA c1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 615683 PKGFXUOXABVNBM-UHFFFAOYSA-N 310.405 2.816 0 50 DFAA CC(C)c1n[nH]c(CNC(=O)N2Cc3ccccc3C[C@@H]2C)n1 458924286 PTDDLBSSOVXUQI-LBPRGKRZSA-N 313.405 2.585 0 50 DFAA COc1cc(O)cc(OC)c1CCC(=O)c1ccc(O)cc1 14505475 WRSUVSOOJHAIRI-UHFFFAOYSA-N 302.326 2.931 0 50 DFAA biogenic,in-vitro N[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 158228037 SRHJBPSKBYPZJX-GFCCVEGCSA-N 305.765 2.558 0 50 DFAA Cc1cccc(C)c1CNc1ccc(S(=O)(=O)CCO)cc1 158924055 DQMIAXNFCHLEQR-UHFFFAOYSA-N 319.426 2.682 0 50 DFAA CO[C@@H](CN)c1nc(C2(c3c(F)cccc3F)CCCC2)no1 904118252 IDHYOLSWAYHABZ-LBPRGKRZSA-N 323.343 2.854 0 50 DFAA Cc1nnccc1NC(=O)NCC[C@@H]1OCCc2ccccc21 930816723 OIPJIZBECNFXGT-INIZCTEOSA-N 312.373 2.611 0 50 DFAA O=C(O)c1cccnc1CN1CC[C@]2(CCc3ccccc3O2)C1 851708849 MYMQSPPDEJFYBE-LJQANCHMSA-N 324.380 2.750 0 50 DFAA CC(C)(C)OC(=O)N1CCC(c2ncccc2C(=O)O)CC1 1857780507 LYJBBTTYUXEJII-UHFFFAOYSA-N 306.362 2.894 0 50 DFAA CCO[C@H]1CCN(C(=O)c2coc(-c3c(F)cccc3F)n2)C1 885329388 SSZNRXJXMWIBAM-JTQLQIEISA-N 322.311 2.871 0 50 DFAA Oc1cc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)ncn1 892778411 WSJSMVDZNGMZBM-IBGZPJMESA-N 324.428 2.675 0 50 DFAA Cc1ccc(F)c(OS(=O)(=O)CC[C@@H]2CCCOC2)c1 1775989257 IOAGCAKGHFFTAB-LBPRGKRZSA-N 302.367 2.659 0 50 DFAA COc1cc(C(=O)N[C@H]2CC[C@H](C)CC2)c(N)c(OC)c1OC 1775986778 YGGBERGLSXUHQQ-XYPYZODXSA-N 322.405 2.603 0 50 DFAA C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(F)cc1 2100557443 SOYVQUMWWPISJD-VHRBIJSZSA-N 308.353 2.829 0 50 DFAA Cc1ccc([C@@H]2COCCN2C(=O)Nc2cn(C)nc2Cl)o1 2325769543 VDTJAHYGQNZKGT-NSHDSACASA-N 324.768 2.580 0 50 DFAA CC(=O)N1CCC[C@H]1[C@@H]1CCN(C(=O)c2cc(F)ccc2C)C1 2325875456 SNAGMSCJNQVOKB-PBHICJAKSA-N 318.392 2.607 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 52526 OISWPCKCEJIAHE-AWEZNQCLSA-N 309.369 2.690 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1C 229225 RKGLIKBMZZAXSU-JTQLQIEISA-N 303.811 2.912 0 50 DFAA CCC[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 373217 OIWHTYPTRNREOF-SNVBAGLBSA-N 307.346 2.635 0 50 DFAA Cc1nc(N2CC3(COc4ccccc4C3)C2)c2c(C)noc2n1 2356168715 CFMXEFGBVBCYKB-UHFFFAOYSA-N 322.368 2.676 0 50 DFAA CCCc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 6745100 LIYCFYQFCKWAMR-UHFFFAOYSA-N 302.359 2.577 0 50 DFAA Cc1cccc(NC2CCN(C(=O)[C@H]3CCCCN3C)CC2)c1 225410716 QFHANCZVVULVMJ-GOSISDBHSA-N 315.461 2.882 0 50 DFAA O=C(CCc1nc(-c2cccs2)no1)Nc1ccncc1 21523984 MXFMEUCWNKGSPY-UHFFFAOYSA-N 300.343 2.764 0 50 DFAA CCCc1nc(CN(CC)C(=O)CN2[C@@H](C)CCC[C@H]2C)no1 55341705 LSDZYFQAWYZCBF-OKILXGFUSA-N 322.453 2.634 0 50 DFAA CC(C)N(C)c1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cn1 248803867 AUGAJGULYJXJNV-MRXNPFEDSA-N 313.449 2.649 0 50 DFAA Cc1cc(N2CCCC[C@@H]2CNC(=O)c2ccccc2)nc(C)n1 133088961 RJRPASSXSRLRJE-QGZVFWFLSA-N 324.428 2.882 0 50 DFAA COc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1O 245716809 CWVZCRJYASJZRW-UKRRQHHQSA-N 301.390 2.680 0 50 DFAA Cc1ccsc1CN(CC(C)C)C(=O)c1ccc(O)nn1 63883620 FPWOINQBWQEYEG-UHFFFAOYSA-N 305.403 2.851 0 50 DFAA Cc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C)s2)n1 55344090 OIBUJIOCBNEHNK-UHFFFAOYSA-N 317.458 2.964 0 50 DFAA CCc1c(C)sc2ncnc(NCc3noc(COC)n3)c12 65492237 MROXSQUGJDADCO-UHFFFAOYSA-N 319.390 2.704 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 247564340 RXVQGPUDMJIOMO-SLBVQIDZSA-N 303.406 2.742 0 50 DFAA CC(C)CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843970 HDFMWJAZTOQYBC-HNNXBMFYSA-N 320.408 2.840 0 50 DFAA CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 123170103 CJOIDUBDFNYFKX-VQIMIIECSA-N 314.429 2.861 0 50 DFAA CC(C)c1noc(-c2ccc(N3CCC(CCO)CC3)nc2)n1 39371634 KVTNQXFNGFCBAK-UHFFFAOYSA-N 316.405 2.854 0 50 DFAA Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 87626 DODJAPHNUIAUHU-STQMWFEESA-N 311.447 2.718 0 50 DFAA CN(C)[C@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 72453574 XKBSPAZCFAIBJL-HNNXBMFYSA-N 307.401 2.537 0 50 DFAA COc1cccc(C2=NO[C@H](C(=O)NC3CCCCC3)C2)c1 4110867 GOKNYOHQPLPAOF-INIZCTEOSA-N 302.374 2.637 0 50 DFAA Cc1ccsc1CNC(=O)CN(C(C)C)[C@@H]1CCCC[C@H]1O 252477169 JKUYWPIDPBSRGI-HUUCEWRRSA-N 324.490 2.687 0 50 DFAA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)c1ncccn1 328646904 SWPUSKNRTRDBBP-STQMWFEESA-N 306.410 2.587 0 50 DFAA C[C@H]1CCc2onc(C(=O)Nc3nc4ccccc4n3C)c2C1 6399275 FMILONDZCZHTDI-JTQLQIEISA-N 310.357 2.938 0 50 DFAA Cc1cccc(=O)n1CCCNC(=O)c1nc(C(C)C)cs1 215813784 VZTGILAJDAKJRJ-UHFFFAOYSA-N 319.430 2.557 0 50 DFAA COc1ccc(CCNC(=O)c2csc(NC3CC3)n2)cc1 36354829 BYFWIASAHDEHIJ-UHFFFAOYSA-N 317.414 2.699 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nc3ccccc3[nH]2)c1 337403542 LQHWHOAOAPINIP-KBXCAEBGSA-N 323.396 2.879 0 50 DFAA COC(=O)c1cccc(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1 130338831 INEMQYXTTNCCIU-HIFRSBDPSA-N 318.373 2.506 0 50 DFAA Cc1cc(CO)oc1C(=O)N[C@H]1COc2cccc(Cl)c21 366522708 DTFAXWUTBMWPRE-NSHDSACASA-N 307.733 2.597 0 50 DFAA CC(C)c1cc(N2CCO[C@H](C(F)(F)F)C2)n2nccc2n1 72120922 AQHUMSQMRLFRHU-NSHDSACASA-N 314.311 2.620 0 50 DFAA COCCC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 77421364 KVSJXKOJBBPMBL-KRWDZBQOSA-N 304.434 2.838 0 50 DFAA CC[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)OC 602918534 SQCNBGMDYNUIPO-MCIONIFRSA-N 315.772 2.850 0 50 DFAA CCCn1ccc2c(nnc3c(-c4ccccc4)c(C)nn32)c1=O 40390861 OEYYLQVVUBAJKJ-UHFFFAOYSA-N 319.368 2.825 0 50 DFAA CCCCOc1ccc(C)cc1-c1cnn(CCC(N)=O)c1 426526270 NLPSCSATUYZGBP-UHFFFAOYSA-N 301.390 2.913 0 50 DFAA C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@@H]1C(=O)O 263534269 NVRIHIZFLMDGKI-IUODEOHRSA-N 313.353 2.683 0 50 DFAA O=C(CSCC1CC1)N[C@@H](Cn1cccn1)c1ccccc1 222320087 JWWAHOGFIIGTIU-INIZCTEOSA-N 315.442 2.884 0 50 DFAA Cn1ncc2c(NC[C@@](C)(O)c3cccc(Cl)c3)ccnc21 287077698 YBWWNWMPQARSII-MRXNPFEDSA-N 316.792 2.941 0 50 DFAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1c[nH]cn1 91755890 BRKVMOZFZUAXHY-ZDUSSCGKSA-N 309.369 2.689 0 50 DFAA CCOCCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91441774 XTEJGQCDETXKHR-SFHVURJKSA-N 319.401 2.623 0 50 DFAA COc1ccc(CNC(=O)c2c(C)c3ccccc3[nH]c2=O)cc1 145304825 XDHGZZWOTKCSBF-UHFFFAOYSA-N 322.364 2.775 0 50 DFAA CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1N[C@H]1CC[C@H](O)CC1 239654024 BMGLUUMFBKTEGR-KBUPBQIOSA-N 312.454 2.573 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1Cc2ccccc2O[C@H](C)C1 293630176 FEZRQWPQUPPFIS-NEPJUHHUSA-N 313.401 2.940 0 50 DFAA Cc1cccnc1[C@@H](NC(=O)c1ccc(N(C)C)nc1)C1CC1 97307664 VSGYZIMPTMACCA-KRWDZBQOSA-N 310.401 2.732 0 50 DFAA CCOc1cccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 295307252 JZUIIBPPVZEMPO-CQSZACIVSA-N 302.418 2.642 0 50 DFAA CSCC[C@H](C(=O)NCCc1nc(C)cs1)n1cccc1 263588446 UHHVCVGVXSBQID-CYBMUJFWSA-N 323.487 2.906 0 50 DFAA CCc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)s1 554574512 ZJZJHHASOPOQRG-HNNXBMFYSA-N 308.491 2.855 0 50 DFAA C[C@H](c1ccccc1)c1cc(C(=O)N(C)Cc2ncc[nH]2)on1 299771824 VUZVOAXTHLXCLZ-GFCCVEGCSA-N 310.357 2.822 0 50 DFAA CCc1nc(C)sc1CNC(=O)N(C)Cc1nccs1 584885762 UAVJZCWHAGYVRN-UHFFFAOYSA-N 310.448 2.812 0 50 DFAA Cc1c[nH]ccc1=NCCNC(=O)c1csc(C(C)C)c1 828207925 KMVFRJWQMQEFHP-UHFFFAOYSA-N 303.431 2.839 0 50 DFAA CC(C)(Cc1ccc(F)cc1)NC(=O)N1CCCC[C@H]1CN 827268053 VQAOGRRGVXZJCW-HNNXBMFYSA-N 307.413 2.670 0 50 DFAA CN1CCC(NC[C@@H](c2ccccc2F)N2CCCC2)CC1 584893240 VRABMQAIBQVHLC-SFHVURJKSA-N 305.441 2.646 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC1)c1ccccc1 62063822 ZVYGJRFJPXLXEA-CQSZACIVSA-N 304.390 2.875 0 50 DFAA in-vitro CCOc1cccc2[nH]cc(CC(=O)N[C@H](C)c3cc[nH]n3)c12 408516705 QPBGYSBRBQYHMC-LLVKDONJSA-N 312.373 2.710 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 170067773 BXVMHQHVNDAQRN-GHMZBOCLSA-N 305.717 2.917 0 50 DFAA O=C(c1cc(-c2cccc(O)c2)on1)N1CCCSCC1 585121094 FVKGYONDZWOYJJ-UHFFFAOYSA-N 304.371 2.626 0 50 DFAA O=C(N[C@@H]1COc2ccccc21)c1cccc(N2CCOC2=O)c1 194886583 JJWVBCYCNMZBIU-OAHLLOKOSA-N 324.336 2.507 0 50 DFAA CC(C)C[C@@H](NC(=O)/C=C/C(=O)NC1CC1)c1ccccc1 1615548255 FGOBJAGLBVXOBV-SIFUEBAJSA-N 300.402 2.725 0 50 DFAA CCCO[C@@H]1CCCN(c2nc3cc(C(=O)O)ccc3n2C)C1 1529112869 SWLQUJAGQQMZQL-CYBMUJFWSA-N 317.389 2.667 0 50 DFAA Cc1cccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1F 1529139323 PFIXEVFXVKXEGS-ZBFHGGJFSA-N 314.360 2.517 0 50 DFAA COCC(C)(C)CNc1nnc(CSc2ccncc2)o1 1772701455 MQYZAOYMVLXSKF-UHFFFAOYSA-N 308.407 2.841 0 50 DFAA CC(C)COc1cccc(CN2C[C@@H]3COCC[C@]3(CO)C2)c1 1772710970 XODJVVCEYWEKEV-IEBWSBKVSA-N 319.445 2.552 0 50 DFAA Cc1cccn2ncc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)c12 1772710326 PSPMTGRUVNHVOO-UHFFFAOYSA-N 323.400 2.517 0 50 DFAA Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 5709515 XZDPYDMEWPVEPF-UHFFFAOYSA-N 304.733 2.718 0 50 DFAA CC(C)CSc1nnc(CCNC(=O)CC2CCCC2)n1C 12041676 ISWKCGKETAGREZ-UHFFFAOYSA-N 324.494 2.802 0 50 DFAA COc1cccc(C(=O)[C@H]2CCCN(Cc3c[nH]c(C)n3)C2)c1 12305382 GSAFSPPASRHFND-HNNXBMFYSA-N 313.401 2.822 0 50 DFAA O=C1NC(=O)c2cc(Oc3cccc(NC(=O)C4CC4)c3)ccc21 13955102 SWQJSOCDDZEAFE-UHFFFAOYSA-N 322.320 2.711 0 50 DFAA CCc1ccc(O[C@@H](CC)C(=O)NC2CCN(C)CC2)cc1 16579926 QNGPBHUDIBXZAF-KRWDZBQOSA-N 304.434 2.617 0 50 DFAA Cc1cc2c(cn1)CN(C(=O)c1cc(=O)c3ccccc3o1)C2 1857672199 BUIPNHTWXYWEBC-UHFFFAOYSA-N 306.321 2.652 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)[C@@H]2CCO[C@H]21 230095316 PWHLDZHFTGSYJC-YAYDYNKSSA-N 321.367 2.998 0 50 DFAA Cc1cccc(NC2CCN(C(=O)c3ccc(O)nc3)CC2)c1 151905491 RUIHACGNWCVTDQ-UHFFFAOYSA-N 311.385 2.812 0 50 DFAA CN(Cc1cc(Cl)ccc1F)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 263050023 DTCSTCADISZONO-ZJUUUORDSA-N 313.756 2.938 0 50 DFAA Cc1cccc(C(=O)O)c1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 905268292 HBULFDHZOMPMRM-OLZOCXBDSA-N 321.373 2.606 0 50 DFAA CC1=CC2(CCN(C(=O)CCn3nc(C)cc3C)CC2)OCC1 1704304373 DNYAXGYNBVPFQE-UHFFFAOYSA-N 317.433 2.618 0 50 DFAA O=C(O)CCc1ccc(NC(=O)[C@H]2CCOC3(CCC3)C2)cc1 909284137 HKACZJXIXPLIHV-AWEZNQCLSA-N 317.385 2.992 0 50 DFAA C=CC(=O)N(C)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 861563922 GQQYHWBLMIZUDO-BJWYYQGGSA-N 312.413 2.568 0 50 DFAA C[C@@H](NC(=O)C1CCNCC1)c1ccc2nc(C3CC3)[nH]c2c1 1875276555 BBFKBLUOUOMWFB-LLVKDONJSA-N 312.417 2.617 0 50 DFAA COc1ccc2c(c1)C[C@H](C)C[C@@H]2NC(=O)/C=C/CN(C)C 1875376635 DLBFMHVCEACNAP-WGIDWCPNSA-N 302.418 2.553 0 50 DFAA Cc1ccccc1OCCN[C@H]1c2cnn(C)c2CC[C@@H]1F 1775993334 YMPDOFYKEZVRGG-YOEHRIQHSA-N 303.381 2.723 0 50 DFAA CCCC[C@H](NC(=O)c1cccc(Br)c1)C(=O)O 2271163 FWMMSVSAQWDVNF-NSHDSACASA-N 314.179 2.822 0 50 DFAA COc1cc(-c2cc(OC)c(OC)c(OC)c2)c(=N)[nH]c1C 2100540357 ITFZTMYVBZCXMK-UHFFFAOYSA-N 304.346 2.504 0 50 DFAA Nc1nnc(SCc2cc3c(cc2Cl)OCO3)s1 207957 SYXGZNOHHHTOKD-UHFFFAOYSA-N 301.780 2.795 0 50 DFAA COc1ccc(C(=O)c2ccc(OC)c(OC)c2)cc1OC 235662 HSVLSGPNFMVFOY-UHFFFAOYSA-N 302.326 2.952 0 50 DFAA biogenic O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(c2ccccc2F)C1 300248 OZZAGGSWBRERLW-LLVKDONJSA-N 316.307 2.956 0 50 DFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 1053550 TUMXZWSARBDFMH-UHFFFAOYSA-N 308.381 2.852 0 50 DFAA CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1 1236616 UIFNETQVZLKZMO-QGZVFWFLSA-N 308.381 2.704 0 50 DFAA CCC[C@@]1(CO)CN(Cc2cccc3[nH]ccc23)CC[C@H]1O 2356164070 CXFGTWZSJPIAKY-MSOLQXFVSA-N 302.418 2.513 0 50 DFAA O=C(NCc1ccncc1)C(=O)Nc1cc(Cl)ccc1Cl 4865808 LYZICLFGBIPAQM-UHFFFAOYSA-N 324.167 2.643 0 50 DFAA Cc1cc(C)c(S(=O)(=O)NCCCN2CCCCC2)c(C)c1 10278582 GKHJHROBKCVFOR-UHFFFAOYSA-N 324.490 2.766 0 50 DFAA C[C@H]1Cc2ccccc2N1CC(=O)/N=c1\cc[nH]n1[C@H](C)C1CC1 225388022 SHYCBPRQOBAZDO-OXYJXQILSA-N 324.428 2.666 0 50 DFAA O[C@@]1(Cn2cnc(-c3cccs3)c2)CCCN2CCCC[C@@H]21 63883668 CASIAIOZHZCSKX-IAGOWNOFSA-N 317.458 2.991 0 50 DFAA CCC(=O)Nc1ccc(NC(=O)c2cccnn2)cc1Cl 55393610 MARDDPVLUQGLOS-UHFFFAOYSA-N 304.737 2.731 0 50 DFAA CC(C)[C@H](C(=O)Nc1ccncc1)N1Cc2ccccc2C1=O 65362964 XWPRFOVMWIPMPY-MRXNPFEDSA-N 309.369 2.701 0 50 DFAA Cc1cccc(-n2c(COC(C)C)nnc2SCC(=O)O)c1 65534468 GBLUSBQTSKFYNW-UHFFFAOYSA-N 321.402 2.677 0 50 DFAA Cc1nc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)n[nH]1 129357737 BMXRYXNFZGQNNT-UHFFFAOYSA-N 321.340 2.618 0 50 DFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCC(C)(C)N(C)C 229503914 GTZHYKZYKOIXRS-OAGGEKHMSA-N 312.498 2.920 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)c2ccc3ncsc3c2)CC1 72141783 INISZXRPNHEKEW-ZDUSSCGKSA-N 303.431 2.853 0 50 DFAA O=C(O)[C@@H]1[C@H]2CN(Cc3nc(-c4ccccc4)cs3)C[C@H]21 217453112 PAFAUGMDYPLGSZ-JYAVWHMHSA-N 300.383 2.573 0 50 DFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N[C@@H]1C[C@@H]1c1cccc(F)c1 230169125 GKRNLBDCAXEKTB-UTSKFRMZSA-N 318.392 2.938 0 50 DFAA O=C(O)[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 238081750 OTZUJKJXVWJJFI-LBPRGKRZSA-N 304.321 2.777 0 50 DFAA Fc1ccc([C@H]2CCCCN2c2ccc3nnnn3n2)c(F)c1 370748818 TUANKAHWOSRQKV-CYBMUJFWSA-N 316.315 2.529 0 50 DFAA Cc1ccccc1-n1ncc(C(=O)NC[C@]2(C)CCOC2)c1C 331711467 CKNAROMDSLUSNI-SFHVURJKSA-N 313.401 2.646 0 50 DFAA C[C@@H]1COCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 372214788 AVFWHZZVHQGOMR-NSHDSACASA-N 319.792 2.839 0 50 DFAA NC1(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)CCC1 71745921 IWPOHSYLISQTKC-CQSZACIVSA-N 304.409 2.878 0 50 DFAA Cc1cc(S(=O)(=O)N2CCCc3ncccc32)cc(C)c1F 332249645 CBTXPWPVLPYCAH-UHFFFAOYSA-N 320.389 2.979 0 50 DFAA Cc1cc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)on1 215158300 QESJAIGANNJWCD-GOSISDBHSA-N 311.429 2.658 0 50 DFAA COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)O)CC1 262864088 BRCUPKJXRZEPAS-SRVKXCTJSA-N 323.364 2.903 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)C2)cc1 237293118 PYWLOWKBYDQLSP-ARFHVFGLSA-N 302.418 2.529 0 50 DFAA C[C@@H](CC(=O)N1CCC[C@H](C(=O)O)C1)Cc1cccc(F)c1 128508543 HWJKETLJJJBXIY-OCCSQVGLSA-N 307.365 2.718 0 50 DFAA Cn1nc(C2CCCCC2)cc1NC(=O)C[C@H]1CSCCN1 237826179 HVDVTAXSGVTVAU-ZDUSSCGKSA-N 322.478 2.501 0 50 DFAA Cc1nnc(CCNC(=O)c2ccc3c(c2)CCCC3)s1 221226731 QDJVQYIDIOZPIR-UHFFFAOYSA-N 301.415 2.698 0 50 DFAA Cc1ccc(OC2CN(C(=O)c3ccc4nccn4c3)C2)cc1 221422415 NDTWGKOEIQGWPT-UHFFFAOYSA-N 307.353 2.546 0 50 DFAA CCn1ccnc1[C@@H](NCc1cccnc1)C1CCOCC1 284415403 DKZSLBSZNSCMEL-INIZCTEOSA-N 300.406 2.556 0 50 DFAA CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1OC 607142176 OELHIGYDEPXMSC-UHFFFAOYSA-N 311.345 2.813 0 50 DFAA CN(CCCOc1ccccc1Cl)c1ncncc1C(=O)O 95388947 ABKBECMXNKYIKO-UHFFFAOYSA-N 321.764 2.734 0 50 DFAA Cc1nc2cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)ccc2[nH]1 97117061 FCIIYTBAYRBVDI-GFCCVEGCSA-N 312.417 2.570 0 50 DFAA Cc1ccccc1[C@@H](C(=O)NCCc1ccc(O)cc1)N(C)C 95361830 YYBMORDTWNYJLV-SFHVURJKSA-N 312.413 2.662 0 50 DFAA CO[C@](C)(c1nc(-c2cn(C)nc2C(F)(F)F)no1)C1CC1 293118673 VAPVBSAKIYGUEK-LBPRGKRZSA-N 316.283 2.761 0 50 DFAA CC[C@H](OC1CCCCC1)C(=O)Nc1ccc2nncn2c1 180695653 QCNOFMOURNHFNS-AWEZNQCLSA-N 302.378 2.796 0 50 DFAA Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1n[nH]c2c1CCC2 252493169 NAQVTDXBYWGTQH-ZDUSSCGKSA-N 312.417 2.666 0 50 DFAA COc1cc(C)nc(NC(=O)C2(c3ccccc3F)CC2)n1 297779282 LERWTUDJLUGVGO-UHFFFAOYSA-N 301.321 2.603 0 50 DFAA Cc1cccc([C@H](C)NC(=O)C2(N3CCCC3)CCCC2)n1 534585826 RRBABXWHURWZHY-HNNXBMFYSA-N 301.434 2.976 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)Nc1ccccc1C1CC1 299767170 GUNVIIOCAGEMOF-UHFFFAOYSA-N 303.406 2.990 0 50 DFAA Cc1ccc(CN2CCC(CNC(=O)c3ccoc3)CC2)o1 825197914 GGFFZUPGMMVUKF-UHFFFAOYSA-N 302.374 2.823 0 50 DFAA O[C@@H]1CCCN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 585136883 XNVISOMVTKXSDX-GZBFAFLISA-N 315.335 2.625 0 50 DFAA OC[C@@H](Cc1cncs1)Nc1ccc(C(F)(F)F)cn1 585136748 RFBDFWVOUWNCHD-SECBINFHSA-N 303.309 2.572 0 50 DFAA CN(CCCOc1ccccc1Cl)C(=O)c1ccnnc1 952869112 XKDXSTVXPIKFSL-UHFFFAOYSA-N 305.765 2.671 0 50 DFAA C[C@H]1CN(C(=O)c2ccnn2-c2ccccc2)CC2(CCC2)O1 584840748 IUUQROJYSUSNLX-AWEZNQCLSA-N 311.385 2.656 0 50 DFAA Cc1nc(C2(NC(=O)N(C)Cc3ccccc3)CCCC2)no1 185760344 LAEMBISRFATXFB-UHFFFAOYSA-N 314.389 2.989 0 50 DFAA Cc1nn(C)c(C)c1CNc1ncc(F)cc1Br 585139142 LVODPQWEKOGLQG-UHFFFAOYSA-N 313.174 2.946 0 50 DFAA COc1ccc(CN2CCC[C@H]2CN(C(C)=O)C2CC2)cc1 275628152 JOKJRQBJTRAXCQ-KRWDZBQOSA-N 302.418 2.671 0 50 DFAA Cc1nn(-c2ccccc2)cc1C(=O)N(C[C@H]1CCCN1)C1CC1 186502691 GRVMAHSLOBILPH-OAHLLOKOSA-N 324.428 2.537 0 50 DFAA O=C(c1cccc(O)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 186892629 CDTKZLKVFXREJA-INIZCTEOSA-N 319.307 2.884 0 50 DFAA CC(C)(O)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1 170090157 BLZRVZIKJGVWNW-UHFFFAOYSA-N 322.368 2.747 0 50 DFAA O=C(NCC1CCCCC1)[C@H]1CCCN1C[C@@H]1CCC=CO1 170607079 PVSFBYAHONVDHR-DLBZAZTESA-N 306.450 2.840 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1 188191262 SZBPVVPTCKEFGF-HUUCEWRRSA-N 312.454 2.935 0 50 DFAA Cc1ccc(CNC(=O)c2ccco2)c(-n2cc(Cl)cn2)n1 190337414 ZWGHVWYZSNMWGW-UHFFFAOYSA-N 316.748 2.752 0 50 DFAA CC(=O)Nc1nc(CN[C@H]2CCO[C@H]2c2ccccc2)cs1 191946290 QINIJZWXDYOHTK-GJZGRUSLSA-N 317.414 2.721 0 50 DFAA Cc1nc(-c2cc(C(=O)N[C@H](CN)C(C)(C)C)n(C)c2)cs1 1615581349 NWRDNMPRGAUIPE-CQSZACIVSA-N 320.462 2.560 0 50 DFAA Cc1cc(C(=O)O)nc(N[C@@H](C)c2ccccc2-n2cccn2)n1 1506396262 JIHZXKMIZCJXBU-LBPRGKRZSA-N 323.356 2.842 0 50 DFAA CCCNc1ncc(CN2CC[C@](C)(O)[C@H](CC(C)C)C2)cn1 211695742 WVCWJTGXEDQEBQ-AEFFLSMTSA-N 320.481 2.918 0 50 DFAA CC[C@@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@]1(C)O 213094514 QYQJQVXOGUBFJH-ACJLOTCBSA-N 315.417 2.505 0 50 DFAA C[C@]1(O)CCOC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 1704357073 BRKLOUHWYNMYKK-INIZCTEOSA-N 322.380 2.754 0 50 DFAA Cn1ccc(C2CCN(Cc3ccc(F)cc3)CC2)cc1=O 1772819628 XIASQKIGNZITQV-UHFFFAOYSA-N 300.377 2.904 0 50 DFAA CSCCC(=O)N(C)[C@H]1CCCN(CCc2ccccc2)C1 12717224 VNDSZHUNGVMPHX-KRWDZBQOSA-N 320.502 2.905 0 50 DFAA Cc1nc(-c2c(-c3ccccc3)n[nH]c2C)n(-c2cnn(C)c2)n1 1857679051 DNBIQDOOXFLYQA-UHFFFAOYSA-N 319.372 2.675 0 50 DFAA Cc1cc(NC(=O)CN2CCC[C@H](C(=O)O)C2)cc(C)c1Cl 911466817 YWQKIPLEUGHXSN-LBPRGKRZSA-N 324.808 2.692 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)C(C)(C)n2cccc2)CC[C@]1(C)O 211456560 UKEXHQVNJYTNNV-QAPCUYQASA-N 306.450 2.869 0 50 DFAA CCn1cnnc1[C@H]1CN(CC[C@H](C)c2ccccc2)CCO1 225586283 NZSQAKYQTSCRQV-DOTOQJQBSA-N 314.433 2.865 0 50 DFAA CC[C@@](C)(CC(=O)O)NC(=O)c1coc(-c2ccccc2)n1 119555320 DUGVCPFQXNDXCD-INIZCTEOSA-N 302.330 2.715 0 50 DFAA CN(C)c1ccc([C@H]2CCCN2C(=O)C2C(C)(C)C2(C)C)nn1 643889892 OWLAMAKDXRSFBF-CYBMUJFWSA-N 316.449 2.888 0 50 DFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)C1[C@@H]2CCC[C@@H]12 238137993 VLNXRQMCGAQADE-VXGBXAGGSA-N 323.339 2.814 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cccc(F)c1F 246404949 UILAMYVQWMKMTB-SWHYSGLUSA-N 323.339 2.752 0 50 DFAA Cc1ccc2c(c1)CC[C@@H](C(=O)NC(C)(C)C(C)(C)CO)O2 356729017 GAOXJEJIUHWFNJ-HNNXBMFYSA-N 305.418 2.602 0 50 DFAA CO[C@H](CNC(=O)N1CCOCC2(CCC2)C1)c1ccccc1 363883702 LGHPBNCYIPXZFR-MRXNPFEDSA-N 318.417 2.586 0 50 DFAA C=CC(=O)N(CC)CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 900858822 NXPLXOPDKBRBKP-CQSZACIVSA-N 306.793 2.648 0 50 DFAA C[C@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CC(=O)N3)CC1 1875265000 MQQUISHUWVCJLS-WFASDCNBSA-N 315.417 2.949 0 50 DFAA CCc1nn(C)c(CC)c1CN(C=O)Cc1ccc(OC)cc1 1875324815 BZFOIGZZMNOODP-UHFFFAOYSA-N 315.417 2.712 0 50 DFAA CC(C)C[N@]1C[C@H]1COc1ccc(N2CCCCC2=O)cc1 1875380845 BVWYQGOIZVIZFW-QFBILLFUSA-N 302.418 2.923 0 50 DFAA CCCC(=O)Nc1ccc(OCc2cnccn2)c(C(C)=O)c1 888095906 KIRHYSUXCUXBNR-UHFFFAOYSA-N 313.357 2.997 0 50 DFAA O=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc(F)cc3)c12 15110166 HGXDVFJCSWYDDH-UHFFFAOYSA-N 310.332 2.724 0 50 DFAA CN(Cc1cc2ccccc2c(O)n1)C[C@H]1CCn2ccnc2C1 2325735158 MHTUPCJLVPFUNA-AWEZNQCLSA-N 322.412 2.831 0 50 DFAA CCc1cnc(CN(C)C(=O)[C@H]2CCCc3c2ncn3C)s1 2325779549 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Cc1cccnc1CCN=c1[nH]oc(-c2ccccc2)c1C(=O)O 2356160110 DJRXRKFNTONECR-UHFFFAOYSA-N 323.352 2.820 0 50 DFAA COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C 2873722 MOBXHKDKYFECJL-UHFFFAOYSA-N 303.383 2.755 0 50 DFAA COc1cc2c(c(OC)c1OC)[C@H](c1cccnc1)CC(=O)N2 4413725 JLLDVVXILCAXAB-NSHDSACASA-N 314.341 2.582 0 50 DFAA CCN(CC)C(=O)NCCCCCCNC(=O)N(CC)CC 4794747 VJHDWPCXKVNNLE-UHFFFAOYSA-N 314.474 2.650 0 50 DFAA O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCC[C@H]1C(=O)O 6726614 ADYXVQVLTHLZKR-KWKJMZLKSA-N 305.418 2.818 0 50 DFAA CC(=O)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O 9266884 JDPUJTBYXTYQCD-UHFFFAOYSA-N 321.380 2.780 0 50 DFAA Cc1cc(NC(=O)N2CCO[C@@]3(C[C@H]4CC[C@H]3C4)C2)ccn1 225656802 DUFFWXOJPNVODR-ZQIUZPCESA-N 301.390 2.813 0 50 DFAA CNCCNCc1ccc(OCc2cn3cccc(C)c3n2)cc1 414830136 NKFRVLZPBOMGNF-UHFFFAOYSA-N 324.428 2.531 0 50 DFAA C[C@](O)(CNCc1ccc2cn[nH]c2c1)c1ccc(F)cc1F 114509199 OOEIADZQLKJBNC-KRWDZBQOSA-N 317.339 2.838 0 50 DFAA Cc1ccc(F)c(NC(=O)CN[C@H](c2nccn2C)C2CC2)c1 65395430 VTTZOFHWXFUXRV-INIZCTEOSA-N 316.380 2.547 0 50 DFAA COc1cc2[nH]cc(C(=O)c3ccccc3)c(=O)c2cc1OC 67172448 BCTBGFHJDISZRS-UHFFFAOYSA-N 309.321 2.776 0 50 DFAA COc1cccc(SCC(=O)Nc2cnc3n2CCCC3)c1 67741737 OAQQHNJYFVYKKJ-UHFFFAOYSA-N 317.414 2.959 0 50 DFAA CC1(C)CN(CC(=O)NC2CCCC2)CC[C@H]1C(F)(F)F 252489350 JOQDHFTYSKLUGQ-GFCCVEGCSA-N 306.372 2.956 0 50 DFAA CSc1nc(C(=O)NCc2cn3c(C)cccc3n2)cs1 215741824 OQAIXGSNBBYEFF-UHFFFAOYSA-N 318.427 2.751 0 50 DFAA C[C@H](c1ccccc1)[C@@H](NCc1ccc(F)c(F)c1)C(N)=O 428841427 CLZLSZKJOXAKOG-BDJLRTHQSA-N 304.340 2.712 0 50 DFAA COc1ccc(CN2CCCO[C@H](C)C2)cc1CN1CCCC1 215111027 NXFGKGCXBNNOCJ-MRXNPFEDSA-N 318.461 2.902 0 50 DFAA CCOCc1ccccc1CNS(=O)(=O)CCC1CCC1 253430109 PXGDXFFMOTVNIW-UHFFFAOYSA-N 311.447 2.833 0 50 DFAA Cc1cccc(Cl)c1S(=O)(=O)NC(=O)CC1CCC1 153786705 VVUPHPKLKRAMCQ-UHFFFAOYSA-N 301.795 2.644 0 50 DFAA COCCCNC(=O)N(C)Cc1cccc(C(F)(F)F)c1 79795119 CAGOCOUZXYBLRC-UHFFFAOYSA-N 304.312 2.883 0 50 DFAA C[C@H](c1nncn1C)N1CCC(OCc2ccccc2F)CC1 367874911 QZJNJABXKJFMOM-CYBMUJFWSA-N 318.396 2.696 0 50 DFAA OCCOc1cccc(CN2CCC[C@@H]2c2nccs2)c1 215311379 ZGFRFKFOPMLKAC-OAHLLOKOSA-N 304.415 2.851 0 50 DFAA CCN(CC)CCNc1nc(-c2cccnc2)nc2c1CCC2 489496360 MKGSFXKRKNNDDS-UHFFFAOYSA-N 311.433 2.781 0 50 DFAA CC1=C(C)CN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 280330781 ZSEGHAKNTKPUTH-UHFFFAOYSA-N 317.364 2.538 0 50 DFAA CCc1sc(C(=O)NC[C@H]2CCCO2)cc1Br 13327646 CHEDXYCWIQVVQO-MRVPVSSYSA-N 318.236 2.982 0 50 DFAA CN1CC[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@H]21 77338263 ZBGUOSNLJSIHET-XJKSGUPXSA-N 318.848 2.924 0 50 DFAA c1cncc(-c2n[nH]cc2CN2CCCC[C@@H]2Cn2cccn2)c1 371374412 QVUSTAXUDZXKEQ-QGZVFWFLSA-N 322.416 2.723 0 50 DFAA C[C@@H]1CN(C(=O)c2cc(O)nc3ccccc23)c2cccnc2O1 158663144 DFCZYAYLEHVBTR-LLVKDONJSA-N 321.336 2.763 0 50 DFAA CC[C@@H](C)[C@H](CO)NC(=O)CCn1ccc2cccc(OC)c21 230216802 YOJQUJWSDLYHCD-HIFRSBDPSA-N 318.417 2.563 0 50 DFAA O=C(NCC1(C(=O)O)CCCCC1)c1ccc2cc[nH]c2c1 179192839 DICHOXOFNBIBQC-UHFFFAOYSA-N 300.358 2.933 0 50 DFAA CCCn1nccc1C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 615705513 QXEONFIAWRQSIX-HNNXBMFYSA-N 321.808 2.752 0 50 DFAA CC(C)(C)c1noc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)n1 236748902 SELQUAFSLJWFTF-SRVKXCTJSA-N 307.394 2.585 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2sc(C)nc2-c2ccccc2)C1 178962278 CKNDAANXRKSYRB-ZDUSSCGKSA-N 315.442 2.800 0 50 DFAA C[C@@H]1CC(NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 179688845 XSSBEJDMLOZZPS-GHMZBOCLSA-N 306.362 2.535 0 50 DFAA C[C@@H]1CCCN(C(=O)CCn2cnccc2=O)c2ccccc21 293496926 MTQHOUMRAWIYQF-CQSZACIVSA-N 311.385 2.564 0 50 DFAA Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc(O)n1 180441658 ACAYYOBJMCDBTD-AWEZNQCLSA-N 314.360 2.940 0 50 DFAA COc1ccc(C(=O)N2CCCC3(CCOCC3)C2)c(F)c1 266094055 ASGGSKRTLPOVLR-UHFFFAOYSA-N 307.365 2.867 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)c2c(C)oc3c2C(=O)CCC3)[nH]1 534634734 PXIFPXVCYVAYGG-SECBINFHSA-N 301.346 2.630 0 50 DFAA NCc1nc(C(=O)NCc2sc3ccccc3c2Cl)co1 670446552 SNIGEFVAMVCXOH-UHFFFAOYSA-N 321.789 2.931 0 50 DFAA CSCC[C@H](N)c1nc(CC(C)C)nn1-c1ccncc1 952867841 TXPRNAAIMODMRQ-ZDUSSCGKSA-N 305.451 2.614 0 50 DFAA CCc1cccc(OCCCN(C)C(=O)C2=C(C)OCCO2)c1 952965181 CDFHRYORGSXASA-UHFFFAOYSA-N 319.401 2.755 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)c(F)c1 630276165 ATDWKDUKMJEANF-SLEUVZQESA-N 321.348 2.550 0 50 DFAA C[C@H](CN[C@H]1CCc2c(Br)cccc21)[S@](C)=O 170063122 KIVLOTDTQRUJHS-JEIZZZKLSA-N 316.264 2.793 0 50 DFAA CN(C)c1[nH]c(=O)c2ccccc2c1C(=O)c1ccc(F)cc1 170621312 AFOILBHEEYJQMD-UHFFFAOYSA-N 310.328 2.964 0 50 DFAA Cc1ccnc2ccc(C(=O)N[C@@H]3CCN(CC4CC4)C3)cc12 671707202 LHUVEVJKIHXTGB-MRXNPFEDSA-N 309.413 2.757 0 50 DFAA Cc1ccccc1CC(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653333852 USMLRVDSVVFCLV-IRXDYDNUSA-N 309.365 2.967 0 50 DFAA CCc1ccc([C@@H](O)CNC2CCN(CC(F)F)CC2)cc1 585081804 GHYDZEVNNSVNPF-INIZCTEOSA-N 312.404 2.602 0 50 DFAA CN(C)[C@H]1CCC[C@@H]1NC(=O)CC1CC(C)(C)NC(C)(C)C1 1616108759 RCSDLCLEUHBRFN-GJZGRUSLSA-N 309.498 2.532 0 50 DFAA Cc1cc(CC(=O)N2CCC([C@@H](O)c3cccs3)CC2)on1 1506413447 RLYCIDMJYVDTQP-MRXNPFEDSA-N 320.414 2.559 0 50 DFAA O=C(CN1CCCCCC1)Nc1cnn(Cc2ccccc2)c1 1506419825 KISKJYGKHBNYHI-UHFFFAOYSA-N 312.417 2.746 0 50 DFAA CCc1cc(CN(C)[C@H](C(=O)O)c2ccc(OC)c(F)c2)on1 1506395980 KZCRNMATLWEISH-HNNXBMFYSA-N 322.336 2.642 0 50 DFAA Cc1c(Br)cccc1C(=O)N1CC[C@@H](N)C[C@H]1C 124732189 PHOLRQXTDXRFCX-MWLCHTKSSA-N 311.223 2.709 0 50 DFAA Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CCCN2C(=O)[C@@H]1C 1772700232 APSMPYXEXFEZCT-NWDGAFQWSA-N 321.808 2.875 0 50 DFAA C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccon1 12380962 UQQQBFILEQTRTG-QMMMGPOBSA-N 311.135 2.843 0 50 DFAA CN(CCc1ccccc1)Cc1cc(C(=O)N2CCCC2)no1 19642102 SNEAJAHKRRFQHY-UHFFFAOYSA-N 313.401 2.585 0 50 DFAA CN(C)CCN(C)[C@H]1CCCN(CCCc2ccccc2)C1 19771209 MFELLWVUFSFTBC-IBGZPJMESA-N 303.494 2.577 0 50 DFAA Cc1ccc(-c2nccn2CCc2cnn[nH]2)c2cccnc12 1857688123 UXLRZGJNJSXXSU-UHFFFAOYSA-N 304.357 2.768 0 50 DFAA Cc1cccc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)n1 1857703480 RLKIOYLVAVRFKY-UHFFFAOYSA-N 322.416 2.885 0 50 DFAA COc1cccc2c1OC[C@@H](n1ccnc1-c1cc[nH]c(=N)c1)C2 1857735275 AWQMPPNLOQMHFJ-AWEZNQCLSA-N 322.368 2.542 0 50 DFAA CC[C@@](CNC(=O)c1c[nH]cc1C)(C(=O)OC)c1ccccc1 408521275 OAZXVVQLILHQEJ-SFHVURJKSA-N 314.385 2.574 0 50 DFAA C[C@@H](C(=O)NCCCCc1ccc(Cl)s1)n1cncn1 225463845 FNXGCBUBJLGNMX-JTQLQIEISA-N 312.826 2.693 0 50 DFAA C[C@H](CO)C1CCN(C(=O)NCc2cc(F)ccc2F)CC1 650848704 MRIYEORHKNOZIU-LLVKDONJSA-N 312.360 2.515 0 50 DFAA CC(=O)N1CCCC[C@H]1C(=O)Nc1cnn(CCC(C)C)c1C 354194799 IQIFQMIINNELJO-INIZCTEOSA-N 320.437 2.577 0 50 DFAA C[C@H]1COC(C)(C)CN1C(=O)c1cccc(Cn2ccnc2)c1 357236270 YSEIKMXGAHZTPN-AWEZNQCLSA-N 313.401 2.571 0 50 DFAA O=C(O)[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 362493020 RKWYHRRQINWXMN-STQMWFEESA-N 321.336 2.889 0 50 DFAA O=C(COc1ccc(Cl)cc1)N1CCC([C@H]2CCOC2)CC1 363768344 RBKWPGZKYSMWGW-AWEZNQCLSA-N 323.820 2.994 0 50 DFAA Fc1cccc(NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)n1 378228589 DVXXDMAZIPDBHG-QMMMGPOBSA-N 315.274 2.549 0 50 DFAA NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)[C@@H](O)CCCC3)cc1 855553920 OXXXQEZLRXRYCD-KRWDZBQOSA-N 324.380 2.798 0 50 DFAA COCC1CC(n2nnnc2N2CCC[C@H]2c2ccsc2)C1 952878406 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2.701 0 50 DFAA CCC[C@@H](C(=O)NCc1c(C)nn(CC)c1C)n1cccc1 299788616 YOZKJZXDEKGIBU-INIZCTEOSA-N 302.422 2.979 0 50 DFAA Cc1ccc(NC(=O)CCNC(=O)c2ccncc2F)c(C)c1 828055742 UUZUHRXKMLIZCS-UHFFFAOYSA-N 315.348 2.596 0 50 DFAA CCc1nnc(CN(C)C[C@H](C)Cc2ccc3c(c2)OCO3)o1 670454197 FOKORXHUFJDXAR-GFCCVEGCSA-N 317.389 2.671 0 50 DFAA Cc1cc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c(F)cc1F 393343040 HCIGMQRRJYUAFG-UFBFGSQYSA-N 322.277 2.767 0 50 DFAA Cc1cnc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)o1 275575490 FMGPZHYJDGRMRL-OAHLLOKOSA-N 300.406 2.932 0 50 DFAA Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]1C(N)=O 633681792 GSQYLZDQARSCPB-BBRMVZONSA-N 317.433 2.541 0 50 DFAA CO[C@@H](C(=O)NCCc1cn2cccc(C)c2n1)c1ccccc1 170593390 WMUIQAZOYAXTQY-QGZVFWFLSA-N 323.396 2.689 0 50 DFAA CC[C@H]1CCc2sc(C(=O)NOC[C@@H]3CCOC3)cc2C1 170606380 JKNKLZAYWAZAEX-NWDGAFQWSA-N 309.431 2.961 0 50 DFAA CO[C@@H](C)[C@H](C)NC(=O)NCc1cccc(-c2ccccn2)c1 190286298 OKOIXYGVTUSAFD-KBPBESRZSA-N 313.401 2.971 0 50 DFAA 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COCc1nc(=N[C@H]2CCOc3c(C)cc(C)cc32)s[nH]1 370205428 AIIRQDVDVLILNL-LBPRGKRZSA-N 305.403 2.659 0 50 DFAA C[C@@H](NC(=O)Nc1ncc(C(F)(F)F)s1)[C@H]1CCOC1 333976564 RAOFXSCFRIXHTD-RQJHMYQMSA-N 309.313 2.708 0 50 DFAA Cc1cccc2c(CN3CCN4CCN(C)C[C@H]4C3)cccc12 225326954 LEJACEFCQCFHPF-SFHVURJKSA-N 309.457 2.580 0 50 DFAA CC(C)S(=O)(=O)CCCN1CCCN(C)c2ccccc21 176895738 YJSBAKCZYVVNSM-UHFFFAOYSA-N 310.463 2.546 0 50 DFAA Cc1ccc(CN(C)CC(=O)NCC[C@@H]2CCCCO2)cc1 220509568 YHTTXIMEZSPILY-KRWDZBQOSA-N 304.434 2.502 0 50 DFAA CCCOc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCC3)cc1 136158627 BHWZLTZNKCTQGL-UHFFFAOYSA-N 301.366 2.893 0 50 DFAA CCN(CC1CCOCC1)C(=O)c1cc(C(C)C)nn1CC 91966043 NAXXLVUYQDXMLR-UHFFFAOYSA-N 307.438 2.915 0 50 DFAA CSCCCN1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91468468 UILFNARRAAAPLT-DLBZAZTESA-N 305.491 2.731 0 50 DFAA CC(C)Cc1cc(C(=O)NCCN(C)c2ccccc2)on1 91713772 QSJRYUYJCVIXRW-UHFFFAOYSA-N 301.390 2.739 0 50 DFAA Cc1cc(C)n(CC(=O)N[C@@H]2CCCOc3c(F)cccc32)n1 179922694 KRKALKCYBQOFHP-OAHLLOKOSA-N 317.364 2.669 0 50 DFAA CN(CC[C@@H](O)c1ccccc1)Cc1nc(C(F)(F)F)no1 244723756 MGTIWZZZZBDGQK-LLVKDONJSA-N 315.295 2.644 0 50 DFAA CN(Cc1cc(-c2ccccn2)no1)Cc1nccn1C1CC1 244633559 GEYMHEDJPLCBJS-UHFFFAOYSA-N 309.373 2.900 0 50 DFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1nc(C(=O)O)cs1 181862187 ACOHTEXGRVSQIN-RKDXNWHRSA-N 322.411 2.631 0 50 DFAA CC1(C)CN(C(=O)Nc2ccon2)CCN1Cc1ccccc1 183485428 FIVPGPBQOYUYTD-UHFFFAOYSA-N 314.389 2.803 0 50 DFAA CCCCN1CCn2nc(CNc3nc(C)cc(C)n3)cc2C1 299791178 CBGNCTIMZGFGQA-UHFFFAOYSA-N 314.437 2.518 0 50 DFAA COc1ccc(-n2nc(C(C)C)nc2[C@H](C)NC(C)=O)cc1 824698922 JRLARLXLTGZGGP-NSHDSACASA-N 302.378 2.596 0 50 DFAA CC[C@@H](C(=O)Nc1cccc(-c2nncn2C)c1C)n1cccn1 952962182 BOVNMVAZYHWZLG-HNNXBMFYSA-N 324.388 2.577 0 50 DFAA c1cc(CNc2ncnc3c2ncn3C2CC2)c2c(c1)COCC2 631509504 XNRNXPKIYCRTOG-UHFFFAOYSA-N 321.384 2.846 0 50 DFAA CCCCO[C@H]1C[C@H](N(C)C(=O)c2snnc2C)C1(C)C 170612301 OTKMNWSHCICCAV-RYUDHWBXSA-N 311.451 2.902 0 50 DFAA CC(C)c1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)cc(O)n1 189591700 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C[C@@H]1CN(C2CCN(Cc3cccc(F)c3)CC2)C[C@@H](C)O1 19889903 LAZNVXWGHHPATP-HUUCEWRRSA-N 306.425 2.899 0 50 DFAA Cc1nc(N2CCC(Cc3ccc(O)nc3)CC2)c2[nH]ccc2n1 1857686413 VKNNPMOUBBWZFG-UHFFFAOYSA-N 323.400 2.826 0 50 DFAA COc1ccc(-c2nccn2[C@H]2CCNC[C@@H]2O)c2ccccc12 1857729411 ZRJLPXSYUNWSDI-IRXDYDNUSA-N 323.396 2.607 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1c(F)cccc1F 246292762 UQDFOGLBLIECPX-VQISRLSMSA-N 323.339 2.752 0 50 DFAA O=S1(=O)CCCN1Cc1cccc(-c2cc(Cl)ccn2)c1 665198091 ROFQUCYSGPPZIS-UHFFFAOYSA-N 322.817 2.938 0 50 DFAA CC(C)CN1C[C@@H]2OC(=O)N(CCc3ccc(F)cc3)[C@@H]2C1 248212432 DUWHUNFVMSOTBJ-CVEARBPZSA-N 306.381 2.529 0 50 DFAA CCC[C@@H]1CCCN1C(=O)NCc1ccc(S(C)(=O)=O)cc1 912039969 KRPDSMKQRLOKRE-CQSZACIVSA-N 324.446 2.564 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2noc(C)n2)cc1 1252144125 BYNNJLRVCAUKJC-CQSZACIVSA-N 321.402 2.602 0 50 DFAA CN(Cc1ccnn1C)C(=O)Cc1cc2cc(Cl)ccc2[nH]1 1875265928 XTWJYEKVIUYXCY-UHFFFAOYSA-N 316.792 2.756 0 50 DFAA CC(C)(C)n1cc(CS(=O)(=O)Cc2ccccc2F)cn1 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DFAA C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(F)c1 20399087 GBJMPEZJBFBQEP-JTQLQIEISA-N 304.296 2.722 0 50 DFAA CNc1cc(C(=O)NCc2ccccc2-n2ccnc2C)ccn1 65374912 YUCRHXCPEMTGSS-UHFFFAOYSA-N 321.384 2.547 0 50 DFAA CCn1ccnc1CN(C)CC(=O)Nc1ccc(Cl)cc1F 65370183 BGKOAJVXGICWAL-UHFFFAOYSA-N 324.787 2.766 0 50 DFAA COCc1noc([C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 350528432 QNMFAAPENUFRIU-RKDXNWHRSA-N 307.316 2.592 0 50 DFAA CCc1nnc(CN(Cc2nc(-c3ccco3)no2)C(C)C)o1 65374707 UDBFADFSBDPMKV-UHFFFAOYSA-N 317.349 2.686 0 50 DFAA CCOCCCn1ccnc1-c1cc2ccccc2n(C)c1=O 67757815 XWNGBZZPICZUHS-UHFFFAOYSA-N 311.385 2.829 0 50 DFAA CC(=O)c1cc(CN(C)Cc2cnc3ccccc3n2)n(C)c1 216023718 PMPHMLFSNVQKND-UHFFFAOYSA-N 308.385 2.803 0 50 DFAA COc1ccc(F)c(CN2CCC[C@@H](Cn3ccnc3)C2)c1 72125437 WRQBQCAYDCYSIA-CQSZACIVSA-N 303.381 2.943 0 50 DFAA CC[C@H](Nc1cccc(N2CCN(C(C)C)CC2)c1)C(=O)OC 253425336 SNQQHFDFYKOKGV-KRWDZBQOSA-N 319.449 2.581 0 50 DFAA Cc1nc(CN2CCOC[C@@H]2CC(=O)c2ccco2)cs1 120985636 QFSBRRGWWCPRCW-ZDUSSCGKSA-N 306.387 2.518 0 50 DFAA CCc1cnc(N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)nc1 71763354 ZQAAIGBFBRXWPV-MRXNPFEDSA-N 316.449 2.512 0 50 DFAA CC[C@@](C)(O)Cn1cnc2c(NCc3ccccc3)ncnc21 123395864 UZSYMSGCBNSGDM-QGZVFWFLSA-N 311.389 2.599 0 50 DFAA COCc1ccccc1S(=O)(=O)N1CCCc2occc2C1 329343125 SWZYHEAWNAJSFY-UHFFFAOYSA-N 321.398 2.563 0 50 DFAA Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c2c(C)n[nH]c2n1 329540748 DCGBSCQEKCXIIC-OAHLLOKOSA-N 310.401 2.979 0 50 DFAA CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(C)c1 124786488 IEEMDHAYDXPWMP-AWEZNQCLSA-N 319.405 2.525 0 50 DFAA CCOCc1nccc(-c2ccc(OCC)c(C(=O)O)c2)n1 71712156 IAWQQEAFRDUCOC-UHFFFAOYSA-N 302.330 2.777 0 50 DFAA O=C(Cc1ccc(NC(=O)c2ccsc2)cc1)NC1CC1 38945297 CMQGTJQIHSLLGY-UHFFFAOYSA-N 300.383 2.822 0 50 DFAA CCc1nc(C)cc(N2CC[C@H](OCc3c(C)noc3C)C2)n1 367327780 UHBNFTICZAGJCM-AWEZNQCLSA-N 316.405 2.748 0 50 DFAA COc1c(C)cnc(CN2CCC(c3ccnn3C)CC2)c1C 171235427 IRFGAOGSSQJGHP-UHFFFAOYSA-N 314.433 2.820 0 50 DFAA CCc1cc(NCc2cccc(OC)c2OC)n2nccc2n1 72418312 VWSSLVHSWVVYCE-UHFFFAOYSA-N 312.373 2.921 0 50 DFAA Cc1ccc(CN2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)c(C)c1 371472038 XVPLBMQGHBMZMW-GUDVDZBRSA-N 302.462 2.987 0 50 DFAA CCn1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)cc2ccccc21 237197784 SBKZCWRCXINBII-QGZVFWFLSA-N 300.358 2.598 0 50 DFAA Cc1ccc(CCNC(=O)CCn2c(C)nc3ccccc32)o1 219843403 BEOVPVRDHTVROD-UHFFFAOYSA-N 311.385 2.995 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)s1 237999903 SUMHECRCMPFUPM-NXEZZACHSA-N 311.428 2.947 0 50 DFAA CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C)c1ccc(F)cc1F 173143974 ZMDGUVOSJUWKTG-BONVTDFDSA-N 310.344 2.543 0 50 DFAA COC[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 173782687 NOICOQSNHWCBID-DAWZGUTISA-N 317.429 2.834 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)Cc1ccc(F)cc1Cl 82092397 ILQHPUQSXVLXFD-UHFFFAOYSA-N 324.787 2.853 0 50 DFAA Cc1noc(C)c1NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 606444785 TWXFRCZRSSYPLH-UWVGGRQHSA-N 321.299 2.913 0 50 DFAA Cc1nc(C(=O)NC2(Cc3ccccc3)CC2)ccc1C(=O)O 263531880 MWSCBOWVPNOFIY-UHFFFAOYSA-N 310.353 2.593 0 50 DFAA 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302.378 2.673 0 50 DFAA CNC(=O)c1cccc(-c2nnc(-c3ccccc3OC)o2)c1 1324083242 RMESPWGNXQLCHW-UHFFFAOYSA-N 309.325 2.772 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 257346240 WARJRVLSUJRZKT-HDPXPVFHSA-N 306.446 2.930 0 50 DFAA Cn1nccc1/C=C/c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299739180 LPFHGEKZSRNMLS-GSKXSAQWSA-N 302.378 2.892 0 50 DFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc2ccccc2s1 299793758 HOYDJGDAZGCDRP-KBPBESRZSA-N 318.442 2.739 0 50 DFAA CC1(C)CCN(C(=O)c2ccoc2C(F)(F)F)CC[S@]1=O 408466625 MNZODRWVOWQXOC-OAQYLSRUSA-N 323.336 2.672 0 50 DFAA CC(C)SCCN(CC(=O)OC(C)(C)C)C1CCOCC1 408523475 KJZUBPOMXIPVBA-UHFFFAOYSA-N 317.495 2.951 0 50 DFAA CCOc1cc(N2CCc3c(ncn3-c3ccccc3)C2)ncn1 274657565 DYGWUCIVSJROMO-UHFFFAOYSA-N 321.384 2.624 0 50 DFAA O=C(c1cnn2ncccc12)N(Cc1ccc(F)cc1)CC1CC1 170596524 AURSSPZGUOPHTR-UHFFFAOYSA-N 324.359 2.921 0 50 DFAA CC(C)c1cnc(S(=O)(=O)Cc2ccccn2)n1C(C)C 170610960 UORUVQLLQNDXJZ-UHFFFAOYSA-N 307.419 2.956 0 50 DFAA 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CCN(CC)S(=O)(=O)c1ccc(NCc2ccccc2)nc1 19938614 VCXFJACILFTMAK-UHFFFAOYSA-N 319.430 2.724 0 50 DFAA CN(C)C1CCN(c2c(Br)cccc2C=O)CC1 169725236 HOZDPVHVOZIDLQ-UHFFFAOYSA-N 311.223 2.792 0 50 DFAA CC[C@@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@@H](CC)O1 421982432 QDEPZCNDNOGTAE-ZIAGYGMSSA-N 315.417 2.532 0 50 DFAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCC1 649998853 RKKGJFFYDPUWSA-RISCZKNCSA-N 320.820 2.545 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)[C@H]2CCO[C@H]21 252477699 UHKBUHFSQKTTIH-QRUUQIEESA-N 321.367 2.998 0 50 DFAA CC[C@](NC(=O)[C@@H]1Cc2ccccc21)(C(=O)O)c1ccccc1 262096229 GZLBMBMEMCKNTG-VQIMIIECSA-N 309.365 2.833 0 50 DFAA O=C(O)C1CCN(Cc2conc2Cc2ccccc2)CC1 901481633 XZEZNPNEGYMRRA-UHFFFAOYSA-N 300.358 2.562 0 50 DFAA Nc1ncc(-c2cc(F)ccc2OC[C@H]2CCCCO2)cn1 952878669 HDLSCXBWXYHQOD-CYBMUJFWSA-N 303.337 2.813 0 50 DFAA Cc1ccc(-c2nc(-c3cc4c(nc3O)CCNC4)no2)cc1C 1875283282 MJANAIKTGHJHRH-UHFFFAOYSA-N 322.368 2.767 0 50 DFAA COC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1C[C@@]12CCOC2 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BLYCAFFURMKTNW-KRWDZBQOSA-N 301.342 2.548 0 50 DFAA S=C(NC[C@H]1CCCO1)Nc1cc(-c2ccccc2)n[nH]1 529065 PIJOAAVAYWMCHK-GFCCVEGCSA-N 302.403 2.542 0 50 DFAA O=C(c1ccco1)N1CCC(C(=O)N2CCc3ccccc32)CC1 4976245 KPXBIHAVJSOLAT-UHFFFAOYSA-N 324.380 2.721 0 50 DFAA Cc1ccccc1[C@H]1CC(=O)c2cnc(N3CCOCC3)nc2C1 10156872 QZFQNTKJSFGNAA-CQSZACIVSA-N 323.396 2.534 0 50 DFAA CN[C@H]1CCCN(C(=O)/C=C/c2ccccc2Br)C1 133681485 PFMZUYRBPWOEHI-XEHSLEBBSA-N 323.234 2.673 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1O 104236228 CXVFHRILQQIYJB-NILFDRSVSA-N 311.809 2.869 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NC(=O)CCN2CCCCCCC2)n1 55118892 FZFNNSHGRKMDFA-MRXNPFEDSA-N 320.481 2.661 0 50 DFAA C[C@@H](CN1CCN(C)CC1)NCc1ccc2sccc2c1 65380285 GPPKACYTGUSIPP-AWEZNQCLSA-N 303.475 2.627 0 50 DFAA CCc1noc(CN(CC)C(=O)c2ccc3ncsc3c2)n1 67676358 LMBCWBBETRYACI-UHFFFAOYSA-N 316.386 2.904 0 50 DFAA Cc1nccn1C[C@H](C)NCC1CCN(C2CCCC2)CC1 65404264 VHUYFVQZZGNYBV-HNNXBMFYSA-N 304.482 2.824 0 50 DFAA O=C1CCN(C(=O)CSC(F)(F)F)c2ccccc2N1 118655307 UVLUHRQXUXDWBU-UHFFFAOYSA-N 304.293 2.615 0 50 DFAA CN(C)c1noc([C@@H]2CCCN2C(=O)CC2=CCCCC2)n1 328587250 OARPDVOCXISLOD-ZDUSSCGKSA-N 304.394 2.690 0 50 DFAA Cc1cc(C)n(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)n1 2779001 ONBHXPWGXADMSW-UHFFFAOYSA-N 306.675 2.594 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccncc3)C[C@H]21 230109452 GEBGLYXJQNSKEK-ARFHVFGLSA-N 317.433 2.817 0 50 DFAA C[C@H]1CC(C(=O)Nc2ccc3nc(S)[nH]c3c2)C[C@H](C)O1 121717480 WVWZYIIEPDBTIL-IUCAKERBSA-N 305.403 2.994 0 50 DFAA CC[C@H](CSC)N(C)C(=O)Cn1ccc2ccccc2c1=O 279775669 GUYYCQSHPZYUTF-CQSZACIVSA-N 318.442 2.602 0 50 DFAA c1cncc(OCCCn2ccnc2-c2cccc3nonc23)c1 71752201 BYGGOMDDQRQHNB-UHFFFAOYSA-N 321.340 2.950 0 50 DFAA Cc1n[nH]c(C)c1CNC(=O)[C@H](O)c1ccc2ccccc2c1 217032669 SWRGJVGDNJMFMY-QGZVFWFLSA-N 309.369 2.530 0 50 DFAA CN(Cc1nccs1)S(=O)(=O)CC12CCC(CC1)CC2 330343323 BWFGNXBPHATZLU-UHFFFAOYSA-N 314.476 2.875 0 50 DFAA Cc1cscc1CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 365569189 WZOZIVMRFUSOHL-HEHGZKQESA-N 324.446 2.534 0 50 DFAA Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)C3CC3)cc2)n1 125477049 FELSFHYVAPBDOY-CYBMUJFWSA-N 319.430 2.632 0 50 DFAA Cc1csc(CCCNC(=O)C2CCN(C(C)C)CC2)n1 73266204 NNQQBVLIUXYXMF-UHFFFAOYSA-N 309.479 2.621 0 50 DFAA O=C([C@@H]1CCCN1Cc1cnc[nH]1)N1CCC[C@@H]1C1CCCC1 371467211 WVNGVXWGYDHUPT-SJORKVTESA-N 316.449 2.555 0 50 DFAA CCc1cc(NC(=O)N[C@H](C)c2nc[nH]n2)c2ccccc2n1 240225423 DHSAJBTXYSOMBX-SNVBAGLBSA-N 310.361 2.798 0 50 DFAA C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)n1ccnc1 241470657 NWWBSWXJBFRJJI-WQVCFCJDSA-N 317.364 2.620 0 50 DFAA C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[S@](=O)C1 242047816 VQIWKSKLQPIARW-WLRWDXFRSA-N 300.493 2.641 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CCC(c2ccc(F)cn2)CC1 606445387 BNIJMCFPOZLVLX-UHFFFAOYSA-N 316.380 2.509 0 50 DFAA CN(CC[C@@H]1CCCCN1C)C(=O)N[C@@H]1COc2ccccc21 174441357 ZMDBSTVFNSQRRT-GOEBONIOSA-N 317.433 2.636 0 50 DFAA COc1ccc([C@@H]2CN(Cc3ccco3)C[C@H]2N(C)C)cc1 91494443 ICONIOSUMPYKIL-ZWKOTPCHSA-N 300.402 2.818 0 50 DFAA O=C1CCCN1CC(=O)N1CCCCC[C@H]1c1cccc(F)c1 95496681 PNNRPABKBPINSU-INIZCTEOSA-N 318.392 2.892 0 50 DFAA CCN(CC)c1ncc(I)nc1Cl 230530940 RICRGHSSYXDHIA-UHFFFAOYSA-N 311.554 2.581 0 50 DFAA COc1ccc2[nH]c(C(=O)N3CCC[C@]4(CCOC4)C3)cc2c1 91327054 RRNZBPFNFMSREO-SFHVURJKSA-N 314.385 2.819 0 50 DFAA CSCCc1nc(-c2ccc(Cl)s2)n(CC(=O)O)n1 97213059 YJWJGRHPJDDJSL-UHFFFAOYSA-N 317.823 2.650 0 50 DFAA CCCc1cnc(C)nc1N1CCC(N2CCSCC2)CC1 95502726 VMCOEGYRGRGCHN-UHFFFAOYSA-N 320.506 2.755 0 50 DFAA COC[C@H]1CN(c2ccc(C(F)(F)F)c(Cl)n2)CCO1 266275177 RWRRGFJFYLMTGZ-MRVPVSSYSA-N 310.703 2.605 0 50 DFAA Cc1nn(C)c2nc(N3CCCC[C@H]3CN3CCCC3)sc12 95497374 GCTMFDOJCGPDOS-ZDUSSCGKSA-N 319.478 2.793 0 50 DFAA CN1CCCCC[C@H]1C(=O)N(CCO)Cc1ccccc1Cl 97475074 KDMJOYAWVHKIEA-INIZCTEOSA-N 324.852 2.535 0 50 DFAA CC[C@@H](NC(=O)c1cc2cccc(C)c2n1C)[C@H]1C[C@H](O)C1 252552034 UMOBAHWENWJOKK-RBSFLKMASA-N 300.402 2.766 0 50 DFAA O=C1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)N1 184390144 MDCJZYZKPKXTBN-INIZCTEOSA-N 306.365 2.521 0 50 DFAA Cn1cccc1CCC(=O)NCCOc1cccc2cccnc12 534662711 LBFNLRGHMYVREZ-UHFFFAOYSA-N 323.396 2.701 0 50 DFAA Cc1ccc(C(=O)Nc2ccccc2NC(=O)CN(C)C)s1 823678181 AVZJKPFROPBTGM-UHFFFAOYSA-N 317.414 2.809 0 50 DFAA Cc1cc([C@H]2CCCN2C[C@@H]2COc3ccccc3O2)on1 585145880 OMGWVTYTXOBDGP-ZIAGYGMSSA-N 300.358 2.960 0 50 DFAA Cc1cc(C)cc(CSCC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1 1074591923 QNRQTQARWKYUKU-ARFHVFGLSA-N 305.443 2.830 0 50 DFAA CC(C)NC(=O)CCCC(=O)Nc1ccc2nc(S)oc2c1 163635119 IUTJYRAYXJNCHV-UHFFFAOYSA-N 321.402 2.750 0 50 DFAA C[C@H](c1nc(-c2cccc(NS(C)(=O)=O)c2)no1)C1CC1 273734845 NEDPUTIGSBQOTG-VIFPVBQESA-N 307.375 2.622 0 50 DFAA CCO[C@@H](C)c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 274116847 WCNYRSDBSYTJCQ-GXTWGEPZSA-N 315.373 2.683 0 50 DFAA CCc1nnc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)o1 276128634 YGAGYZUKDLNYMS-ZDUSSCGKSA-N 301.394 2.571 0 50 DFAA Cn1ncc(Cl)c1CN1CCO[C@]2(CCc3ccccc32)C1 187360501 CJETVVLMWLIBNT-QGZVFWFLSA-N 317.820 2.747 0 50 DFAA O=C(Nc1ncc2c(n1)COC2)[C@@H]1C[C@@H]1c1cc(F)ccc1F 637739223 MDCAUIXAGMPOPI-ZYHUDNBSSA-N 317.295 2.527 0 50 DFAA Cn1cnnc1NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 189134328 ICEOXZGERMSLQK-UHFFFAOYSA-N 324.306 2.795 0 50 DFAA COCC1CN(C(=O)c2csc(-c3ccccc3C)n2)C1 640559588 RDNBXMJWCXSUSK-UHFFFAOYSA-N 302.399 2.837 0 50 DFAA CCOC1CC(CC(=O)N2CCc3c(nc(C(C)C)n3C)C2)C1 191607375 OGASJDINLTUGOQ-UHFFFAOYSA-N 319.449 2.633 0 50 DFAA Cc1noc2ncnc(NC[C@@H](C)Oc3ccc(F)cc3)c12 192468351 RQHYXELBLXWUME-SECBINFHSA-N 302.309 2.945 0 50 DFAA CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2cnoc2C)c1 656626792 VILTWWIXJBPWTE-SNVBAGLBSA-N 310.375 2.961 0 50 DFAA Cn1cccc1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 585129870 AFMQYQBUDCFTLQ-HOTGVXAUSA-N 310.397 2.680 0 50 DFAA Cc1ccc(C(=O)N2CCCc3[nH]c4ccc(F)cc4c3C2)nn1 585140114 LCBPKVQZGMUPNI-UHFFFAOYSA-N 324.359 2.994 0 50 DFAA N[C@H]1CC12CC(NC(=O)CC1CCC(C(F)(F)F)CC1)C2 1615547737 VBKXOXOWVNILGB-UYIBLKNYSA-N 304.356 2.741 0 50 DFAA Fc1cccc(CN2CCCN(Cc3cncs3)CC2)c1 1529154355 KYXUCDRRCKEOLQ-UHFFFAOYSA-N 305.422 2.990 0 50 DFAA CC[C@]1(O)CCN(c2cc(C)nc3c(F)cc(F)cc23)C[C@@H]1O 211995188 QEYBBEQEWPMSHT-RDJZCZTQSA-N 322.355 2.534 0 50 DFAA COc1cccc(OCc2nn3c(CSC)nnc3s2)c1 1775972255 QBFGRRXHUFYWOZ-UHFFFAOYSA-N 322.415 2.636 0 50 DFAA CCCCOC(=O)CCCCSc1nc(O)nc2[nH]cnc12 5349468 UCSQWDVBEWNZTK-UHFFFAOYSA-N 324.406 2.664 0 50 DFAA COc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)c(OC)c1 12402885 QOVXKGGJAWAQDO-KBPBESRZSA-N 315.369 2.940 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@H](C)Cn1nc(C)nc1C 12420406 MHZJDUAPOWJQGX-SECBINFHSA-N 322.796 2.832 0 50 DFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)CN(C)C 12440639 ZFNQLRMRNHKHGD-UHFFFAOYSA-N 313.401 2.669 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1ccc(OC)c(COC)c1 1857674224 YUZQGTQOLXRPNL-UHOSZYNNSA-N 319.445 2.967 0 50 DFAA O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCCC[C@H]1C1OCCO1 225399049 RDEZJFWXSRKWRB-OAGGEKHMSA-N 322.449 2.892 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n[nH]1 331510146 FHQLWBNCCBMWKK-BBRMVZONSA-N 317.364 2.620 0 50 DFAA O=C(O)[C@H]1CCCCN1Cc1cc(F)ccc1OC(F)F 662204410 HXWXXIAEMVHCQG-LLVKDONJSA-N 303.280 2.866 0 50 DFAA CN(C)C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(Cl)cc1 252504014 VHVGRZFXXQEOCZ-HUUCEWRRSA-N 310.825 2.628 0 50 DFAA Cc1cc(C)n(CCCC(=O)N2CCCC[C@@H]2c2ncc[nH]2)n1 931226143 KOTAZBHWONWOFV-OAHLLOKOSA-N 315.421 2.757 0 50 DFAA O=C(Nc1ccnc2ccnn12)N[C@H](c1ccccn1)C1CCC1 934981224 FLGRIBJOUHVJSO-INIZCTEOSA-N 322.372 2.787 0 50 DFAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cncn2C)no1 1875259558 UOEMQAIVKOADSD-QMMMGPOBSA-N 305.725 2.659 0 50 DFAA COC(=O)NC(C)(C)C(=O)Nc1nc(C)cc2ccccc12 1875299796 WLDHETREBFQCOH-UHFFFAOYSA-N 301.346 2.616 0 50 DFAA C=CC(=O)N(Cc1cc(C(N)=O)cs1)c1cc(F)cc(F)c1 1875388231 RYRBSIXCQIGWLE-UHFFFAOYSA-N 322.336 2.844 0 50 DFAA C/C=C/c1cn(C[C@@H]2CCCCN(C(=O)[C@@H]3C[C@H]3CC)C2)nn1 1875323311 DSFKYRFMMPVIPB-CKSSLWEDSA-N 316.449 2.986 0 50 DFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)NC(C)(C)c1ccc2c(c1)OCO2 885721930 UYEBXOSNSMVMKT-BBRMVZONSA-N 319.401 2.828 0 50 DFAA COC[C@@H](O)CN[C@@H](Cc1ccccc1Cl)c1ccoc1 888099222 XEKMLZXWAJVPGO-HOCLYGCPSA-N 309.793 2.814 0 50 DFAA C[C@H](O)c1cccc(N(C)Cc2ccc3c(c2)OCCO3)n1 891495412 MVIIQGNLKYEQMK-LBPRGKRZSA-N 300.358 2.543 0 50 DFAA O=C(O)c1ccc(CNC(=O)C2CCC(F)(F)CC2)s1 263229414 QJFMWQSYRXNQCA-UHFFFAOYSA-N 303.330 2.888 0 50 DFAA CCc1nc(CNc2nccn3nc(C(F)(F)F)cc23)co1 894098471 SQEFDLHBNKHAOE-UHFFFAOYSA-N 311.267 2.911 0 50 DFAA O=C(Nc1cccc(-c2n[nH]c3c2COCC3)c1)c1cccnc1 2325866125 ATXYMBBKKWYKKF-UHFFFAOYSA-N 320.352 2.797 0 50 DFAA C[C@H](NS(C)(=O)=O)c1ccc(-c2cnc3ccccn23)cc1 2325872409 WJCSVPCCJJSKJF-LBPRGKRZSA-N 315.398 2.612 0 50 DFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1 184129 UASXCCOIZXMTDS-UHFFFAOYSA-N 315.369 2.610 0 50 DFAA COc1cc(OC)c(C(=O)N[C@@H](C)c2ccncc2)cc1OC 1459074 JFQIMZFNMZMFQH-NSHDSACASA-N 316.357 2.598 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)CC1 2356158076 CBFLZRHTWHUDDX-HAQNSBGRSA-N 304.390 2.530 0 50 DFAA COc1cc(CNCCO)ccc1OCc1cccc(C)c1 6703989 LXNMTBUXMGZAGX-UHFFFAOYSA-N 301.386 2.665 0 50 DFAA Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc4ccccc4n32)c1 9668784 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CC(C)c1nnc(CN(C)CCc2nc3cc(F)ccc3[nH]2)o1 252500583 SYKCUZVJOYNTOU-UHFFFAOYSA-N 317.368 2.883 0 50 DFAA O=C(CSC[C@H]1CCCCO1)N1CCCc2cccc(O)c21 182946640 UFODRJGUMCACCC-CQSZACIVSA-N 321.442 2.974 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)Cc1ccsc1 617405081 CVPXJRSGFFQOIH-LLVKDONJSA-N 305.447 2.778 0 50 DFAA CCCCn1nccc1NC(=O)NC[C@H](C)n1nc(C)cc1C 299766963 FPWZPIKIFZJEAR-AWEZNQCLSA-N 318.425 2.879 0 50 DFAA Cc1nonc1[C@@H]1CCCN1C(=O)c1cccc2ncsc12 1940193535 PORBFFHDWYTDCC-LBPRGKRZSA-N 314.370 2.965 0 50 DFAA CCc1noc(NC(=O)[C@@H]2COc3ccccc3O2)c1CC 1940194773 OIKYKMLAABACPY-AWEZNQCLSA-N 302.330 2.578 0 50 DFAA Cc1ccc([C@H](C)NC(=O)CCCn2nc(C)cc2C)cn1 584889269 XJVVQOGQMHAXGW-HNNXBMFYSA-N 300.406 2.861 0 50 DFAA OCCCn1nc(-c2ccc(F)cc2)nc1C[C@H]1C=CCC1 670460450 VUCLOKHHIDJHQD-ZDUSSCGKSA-N 301.365 2.975 0 50 DFAA COC[C@@H]1[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]2CCO[C@@H]12 1074599208 CFVKAGSJYZCRBF-QBPKDAKJSA-N 303.402 2.590 0 50 DFAA CCC[C@](C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2 269034606 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CN(Cc1nc2ccccc2s1)C(=O)c1ccc2[nH]nnc2c1 61071378 MXGTYMCIDTUFKD-UHFFFAOYSA-N 323.381 2.840 0 50 DFAA COc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1 23549850 NBGASGGFLFOTFZ-UHFFFAOYSA-N 304.733 2.700 0 50 DFAA COc1ccc(CCN[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC 20264081 ASIXXJPWMHNLIN-OFQRWUPVSA-N 306.450 2.565 0 50 DFAA Cc1ccc(-n2nc(NC(=O)N[C@@H]3CC[C@@H](F)C3)cc2C)cc1 350811288 KFJMAWXILHDYIF-ZIAGYGMSSA-N 316.380 3.501 0 50 DFAA Cc1cc(Br)cc(Br)c1OCC(=O)O 54721 ONPBJJDXODEHDD-UHFFFAOYSA-N 323.968 2.983 0 50 DFAA Cc1nonc1CSc1nc2ccccc2c(=O)n1C1CC1 2802553 GGXDTFNLGJSLOX-UHFFFAOYSA-N 314.370 2.715 0 50 DFAA COC[C@H](c1ccccn1)N(C)Cc1c(C)nc2ccccn12 216030379 SFSBXPFMIWVVLG-QGZVFWFLSA-N 310.401 2.857 0 50 DFAA CON(C(=O)CCc1cnn(C)c1)[C@@H](C)c1ccccc1C 328593653 TWKWPRXKOYQWCN-AWEZNQCLSA-N 301.390 2.812 0 50 DFAA COCCC[C@@H]1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 77452488 XKKOLJLZVHKOEA-AWEZNQCLSA-N 320.433 2.777 0 50 DFAA Cc1nc(C(F)(F)F)sc1C(=O)NCCc1cccnc1 360008996 YOSBROQURKUCKZ-UHFFFAOYSA-N 315.320 2.838 0 50 DFAA O=C(Nc1cccc(COc2cccc(F)c2)c1)[C@@H]1CCNC1 237775784 CKBBOPPXLBYSFD-CQSZACIVSA-N 314.360 2.953 0 50 DFAA CCC(CC)n1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)n1 363724672 OYYXCHBYMLQBCI-HNNXBMFYSA-N 304.438 2.555 0 50 DFAA CC(C)C[C@@H](N)C(=O)N(C)CCc1nc2cc(Cl)ccc2[nH]1 71498789 AXPHJQRMQDFBRS-GFCCVEGCSA-N 322.840 2.591 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCc3ccc(Cl)cc32)cn1 237983476 YEEPOWASELGVHX-UHFFFAOYSA-N 302.717 2.636 0 50 DFAA COCCc1noc(CN2Cc3ccccc3SC[C@H]2C)n1 375406831 WJWOFWMHSCTSCY-GFCCVEGCSA-N 319.430 2.755 0 50 DFAA CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC=C(C)C1 373908800 ZFDFTBOGFHXINY-GOSISDBHSA-N 312.413 2.701 0 50 DFAA C[C@H]1CCCc2nc(S(=O)(=O)N[C@@H](C3CCC3)C3CC3)cn21 333111272 DZWABGFJHUTXJL-ZBEGNZNMSA-N 323.462 2.637 0 50 DFAA CCc1cc(N(C)CC[C@@H](O)c2ccccc2)n2nccc2n1 72467844 UBQVIROWYOOKTF-MRXNPFEDSA-N 310.401 2.852 0 50 DFAA CCc1ccccc1CN1CCC(CO)(CN2CCCC2)CC1 220392390 HMLVTLAXHYJXCU-UHFFFAOYSA-N 316.489 2.919 0 50 DFAA Cc1cc(C)c(CCNC(=O)N2CCCC[C@H]2CN)c(C)c1 417919633 BYXIBTAHJJXZHT-INIZCTEOSA-N 303.450 2.677 0 50 DFAA COC[C@@H](O)CN[C@H](Cc1cccnc1)c1cccc(Cl)c1 338789955 ITPHMXPUIMKBCZ-DLBZAZTESA-N 320.820 2.616 0 50 DFAA Cc1ccc(N2CC[C@@H](Nc3ccc4oc(=O)[nH]c4c3)C2=O)cc1 173922939 IBGBCWQTPYIAPA-CQSZACIVSA-N 323.352 2.647 0 50 DFAA CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ccccn3)C2)[nH]1 220142731 PYSVGHCSCHUIGZ-AWEZNQCLSA-N 312.417 2.619 0 50 DFAA CN1CC[C@@H](Nc2cccc(NC(=O)C3CCCCC3)c2)C1=O 175285390 LREYFWHYLIGZJF-MRXNPFEDSA-N 315.417 2.848 0 50 DFAA COCc1n[nH]c([C@H]2CCCCN2C(=O)c2ccoc2Cl)n1 289117580 NJETUGOWQXKEJS-SNVBAGLBSA-N 324.768 2.565 0 50 DFAA Cc1onc(N)c1S(=O)(=O)N(C)c1ccc(C(C)(C)C)cc1 289293037 HCUSCLPOVNLAEX-UHFFFAOYSA-N 323.418 2.688 0 50 DFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 237297564 BDANERLBTZDZJO-LSDHHAIUSA-N 306.425 2.852 0 50 DFAA CCC1=NO[C@@H](CNC(=O)Nc2cccc(-n3cccn3)c2)C1 97716772 JBZAVMQXJQAYRE-OAHLLOKOSA-N 313.361 2.549 0 50 DFAA Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc(C)n1 97772839 UCCBCOSSPRPFSF-HNNXBMFYSA-N 300.406 2.740 0 50 DFAA COCC1(C(=O)NCc2cc3c(cc2OC)CCC3)CCC1 97813715 SZWXFRAGWUODFY-UHFFFAOYSA-N 303.402 2.617 0 50 DFAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2ncc(F)cc2F)n1 91575219 VXBSOSOQCRDHQB-NSHDSACASA-N 322.315 2.844 0 50 DFAA O=C(CN1CCC[C@H](c2ccccc2)C1)NCc1ccc(O)cc1 95356425 PSZWKJBEPJFMLV-SFHVURJKSA-N 324.424 2.888 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CO1 617059603 YNBPYNAZBOSKJQ-GFCCVEGCSA-N 303.337 2.513 0 50 DFAA CN(CCn1ccc2ccccc21)c1cc([C@H]2C[C@@H](N)C2)ncn1 244882444 XRSRFDBDUUTEAO-IYBDPMFKSA-N 321.428 2.772 0 50 DFAA CN(C(=O)Nc1ccon1)[C@@H]1CCCN(Cc2ccccc2)C1 183626151 KZLAJBQPEIZXLG-OAHLLOKOSA-N 314.389 2.803 0 50 DFAA O=C(Nc1ccon1)N(CCCO)[C@H]1CCCc2ccccc21 183559956 DAZNHWUAPCLXIU-HNNXBMFYSA-N 315.373 2.969 0 50 DFAA BrC1(Br)C[C@]12C1[C@H]3[C@H]4[C@H]3C2[C@H]2[C@@H]1[C@@H]42 254875238 SAJYWOSOSGXRGO-HLHNDIEASA-N 302.009 2.860 0 50 DFAA O=C1CC[C@H](NCC2(c3ccc(F)cc3)CCCC2)CCN1 534657507 IAXRYGSFXWKLOW-INIZCTEOSA-N 304.409 2.896 0 50 DFAA Cc1cc(Cl)cc2c(NC[C@@H]3CN(C)CCO3)ccnc12 534651150 OQLZQDHEBHPWQW-CYBMUJFWSA-N 305.809 2.939 0 50 DFAA COc1ccc(Cn2cc(-c3ncc(C(=O)O)s3)cn2)cc1 534584184 RAJUUFQZZBLKJS-UHFFFAOYSA-N 315.354 2.762 0 50 DFAA Cc1nccn1CCC(=O)NCc1nc(C(C)(C)C)cs1 299760492 UIQMWLHEFKZMER-UHFFFAOYSA-N 306.435 2.652 0 50 DFAA CCc1nccn1CCCNC(=O)c1cccc(-c2ncc[nH]2)c1 823557560 UVGJTMCVQFYRMT-UHFFFAOYSA-N 323.400 2.656 0 50 DFAA Cc1ccc(C)c(-n2ncnc2CN(C)Cc2cccnc2)c1 670473454 YFPVXDCILKTZET-UHFFFAOYSA-N 307.401 2.911 0 50 DFAA Cc1cccc(-n2nc(CC(N)=O)nc2CCC2CCCC2)c1 670448897 MAZXWLHUGJZTHA-UHFFFAOYSA-N 312.417 2.726 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 269292531 VASBYDRMBZOSSZ-UZGDPCLZSA-N 308.372 2.654 0 50 DFAA Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)Nc1cccnc1 164579575 JWVMUIBEDKIPLH-UHFFFAOYSA-N 324.384 2.567 0 50 DFAA CC/C=C(\C)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 213772895 UBOZLBYXROCDLY-DHZHZOJOSA-N 320.389 2.700 0 50 DFAA CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C)c1 185953413 PIOMUTPHUPFTQB-CQSZACIVSA-N 313.394 2.656 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1nc(C)cs1 275447730 GEZOFVJCKFCCGU-SWLSCSKDSA-N 306.435 2.535 0 50 DFAA COc1ccccc1[C@H]1CCCN1C(=O)c1coc(CN)c1 187656419 ARYPBOZJQGXNIU-OAHLLOKOSA-N 300.358 2.724 0 50 DFAA Cc1csc(CN2CC[C@H](CN(C)Cc3cccnc3)C2)n1 190486353 QABLHXMIPKWQRO-MRXNPFEDSA-N 316.474 2.800 0 50 DFAA O=C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@H](C2CC2)C1 585126328 WPNIDVIZYWYVJR-NSHDSACASA-N 315.266 2.827 0 50 DFAA Cc1cc([C@@H](C)NCc2cccc(Cn3cccn3)c2)n(C)n1 793524102 RXCJHZKBSDTYJJ-OAHLLOKOSA-N 309.417 2.824 0 50 DFAA NCC1([C@H]2CCCCN2C(=O)c2ccc3[nH]ccc3n2)CCC1 1650412604 KSBFJHIOYQNRQT-MRXNPFEDSA-N 312.417 2.687 0 50 DFAA CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cnccc2Cl)C1 1616034536 IDKOSUYPSOBSSI-VPZZIHKRSA-N 300.855 2.904 0 50 DFAA Cc1nc(N)nc(C)c1C(=O)NCc1cccc(C(F)(F)F)c1 1649282316 WFMDLCBYDCSZJP-UHFFFAOYSA-N 324.306 2.624 0 50 DFAA COc1ccc(CS(=O)(=O)Cc2sccc2Cl)cn1 622036684 PXICBYHSPOGIHO-UHFFFAOYSA-N 317.819 2.920 0 50 DFAA CC[C@H](NC(=O)N1C[C@@H]2CCCN2C(=O)[C@@H]1C)c1ccccc1 1772711202 ROGGEUOEHPUSJC-BPUTZDHNSA-N 315.417 2.542 0 50 DFAA O=C(CC1CCCC1)N1CCC(=O)N(Cc2ccccc2)CC1 14977787 SOOFMUAMQWOISQ-UHFFFAOYSA-N 314.429 2.828 0 50 DFAA O=C(NCc1ccc(F)cc1)NC[C@H]1CCN(C2CCCC2)C1 16623966 QRCNGYSHNGCVQI-OAHLLOKOSA-N 319.424 2.889 0 50 DFAA Cc1cc2c(cn1)CN(C(=O)c1cc(C)c3[nH]c(=N)sc3c1)C2 1857676305 QNOQVGOCRWMFTH-UHFFFAOYSA-N 324.409 2.877 0 50 DFAA CS(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 253426652 LIUNCFKKCXVZIP-ZETCQYMHSA-N 310.238 2.607 0 50 DFAA COC(=O)[C@@H]1CCn2c(CSc3ccc(C)cc3)nnc2C1 601045238 UMLHAJOSSSQESC-GFCCVEGCSA-N 317.414 2.614 0 50 DFAA O=C(O)C1(C(=O)NCc2ccc(OC3CCCCC3)cc2)CC1 118994518 FVBWZASFUGACAD-UHFFFAOYSA-N 317.385 2.879 0 50 DFAA Cc1ccc(C)c([C@H]2CN(C(=O)C3CCNCC3)[C@H](C)CO2)c1 237529359 GJRSARRCJWRNBP-CRAIPNDOSA-N 316.445 2.591 0 50 DFAA Cc1cc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)c(C)o1 678946906 RMIGBXGAVCKPGC-OAHLLOKOSA-N 306.387 2.721 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(F)c2Cl)C1 379228969 RYDVKVRBSCZABX-OIBJUYFYSA-N 324.705 2.973 0 50 DFAA C[C@H](NC(=O)c1ccc(NC[C@H]2CC=CCC2)cc1)C(=O)O 901717531 YXWFGTRWYCNRGB-STQMWFEESA-N 302.374 2.658 0 50 DFAA Cc1cc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)sn1 901827434 LUBNMRUOBWYSBQ-INIZCTEOSA-N 302.399 2.680 0 50 DFAA Cc1cncc(CCC(=O)N2C[C@H](C(=O)O)c3ccccc32)c1 909579759 VERPRSHKNYDHSO-HNNXBMFYSA-N 310.353 2.538 0 50 DFAA CCc1nccn1C[C@H]1CCCN1C(=O)c1cc(C)c(C)cn1 826916136 AJXLEACHAXYYCV-OAHLLOKOSA-N 312.417 2.762 0 50 DFAA Cc1cscc1NC(=O)NCc1nc(C(F)(F)F)no1 930503214 MDUFVSADOJCTSJ-UHFFFAOYSA-N 306.269 2.780 0 50 DFAA Cc1cc(NC(=O)c2cccc(C(=O)N3CCCCC3)c2)ncn1 1875276066 JDRQHHFJBPEIQJ-UHFFFAOYSA-N 324.384 2.663 0 50 DFAA Cc1c(C)n(C2CCCC2)c2ncnc(N3C[C@@H]4C[C@H]3CN4)c12 1875269703 APTXOVWMIVRKKY-ZFWWWQNUSA-N 311.433 2.714 0 50 DFAA COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)ccn1 888098079 CPIUNKHKAIGTMY-TZMCWYRMSA-N 318.417 2.947 0 50 DFAA CNc1nc(C)ccc1C(=O)N1CC[C@H](Cc2nccs2)C1 890206064 KTVFKGJDXBYCDG-GFCCVEGCSA-N 316.430 2.593 0 50 DFAA CCN1C[C@](C)(CSc2nnc(-c3ccoc3C)o2)C1=O 1775990455 GEPBOVAFLPCMSU-CQSZACIVSA-N 307.375 2.599 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](O)[C@H]2C)c(Br)s1 296243735 XGFVMSIGUFVADF-PSASIEDQSA-N 318.236 2.804 0 50 DFAA CN(Cc1cc2ccccc2nc1O)C[C@@H](O)c1cccnc1 2325716449 KKVJNWNDUANGNC-QGZVFWFLSA-N 309.369 2.501 0 50 DFAA Cc1ccc(-c2noc(-c3sc([C@H](C)N)nc3C)n2)cn1 2325777227 MXAAMNYRGIAJSK-QMMMGPOBSA-N 301.375 2.892 0 50 DFAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)OCc1ccncn1 2325780733 KZQKDACFNREXKO-VNQPRFMTSA-N 306.406 2.997 0 50 DFAA CC(C)n1nc(-c2ccncc2)nc1CC1CC(n2cnnc2)C1 2325849484 QPVGLYKQQXHMCN-UHFFFAOYSA-N 323.404 2.706 0 50 DFAA COC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 44170 SOUSDHKZTMCUMJ-UHFFFAOYSA-N 323.304 2.832 0 50 DFAA biogenic Cc1cccc(C)c1N1C(=O)C(Cl)=C(N2CCCC2)C1=O 300602 ONLHRXKHDJYNCP-UHFFFAOYSA-N 304.777 2.723 0 50 DFAA CC(C)NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 612877 NGEUIQUBRRPBFU-UHFFFAOYSA-N 323.190 2.741 0 50 DFAA CCC(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 4733295 QODSMOLKRXXSPY-UHFFFAOYSA-N 324.705 2.955 0 50 DFAA CCOC(=O)c1c(C)nsc1NC(=O)Cc1cccs1 6699550 JEVNHSHRPQZNGY-UHFFFAOYSA-N 310.400 2.871 0 50 DFAA O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(F)cc1 10747954 PZJGMTKOQWAVAU-UHFFFAOYSA-N 301.317 2.803 0 50 DFAA COCc1cc(CNC(=O)c2cc(C)nc3c(C)cccc23)n[nH]1 55384040 LDHRKZQLDLXFRK-UHFFFAOYSA-N 324.384 2.651 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)[nH]1 225539813 KWTKFNXZDJRHOH-GJZGRUSLSA-N 302.349 2.719 0 50 DFAA COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 101359477 FWHAWEQYBQLNQH-NXNVCVFFSA-N 309.365 2.953 0 50 DFAA CN1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1 20971058 FHLDVCOJXVNKKA-UHFFFAOYSA-N 319.792 2.937 0 50 DFAA CNC(=O)CCc1ccc(NC(=O)NC2CCCCC2)cc1 66197271 VAJKLTPWNZAZMO-UHFFFAOYSA-N 303.406 2.819 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cn1 20255300 FKFGPWWJXCYTLY-CYBMUJFWSA-N 301.390 2.510 0 50 DFAA COc1ccccc1CNc1c(C(=O)O)c(=O)[nH]c2ccccc12 170624643 NYDPIYRFQKFVPK-UHFFFAOYSA-N 324.336 2.847 0 50 DFAA CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N 1473 JUUFBMODXQKSTD-UHFFFAOYSA-N 304.325 2.983 0 50 DFAA biogenic,world Cn1ncc(Cl)c1CN1C[C@@H](C(F)(F)F)OC(C)(C)C1 430218915 MZYOHDOCBSGUQF-JTQLQIEISA-N 311.735 2.615 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1F 127699500 OXAWATFXAJPUNL-SECBINFHSA-N 304.287 2.669 0 50 DFAA CCOc1cc(N2CCC[C@@H]2C[C@@H](O)c2ccco2)ncn1 253397488 WOVRASIOEOYVKT-CHWSQXEVSA-N 303.362 2.561 0 50 DFAA C[C@@]1(c2ccccc2)CN(C(=O)NCc2cccnc2)CCO1 362823801 WRFGNLBAGMKZJY-SFHVURJKSA-N 311.385 2.539 0 50 DFAA CCOCC1(CNc2nc(C)nc3c2c(C)nn3C)CCC1 72439400 CISANIVVARIIOS-UHFFFAOYSA-N 303.410 2.599 0 50 DFAA OCc1ccccc1C1CCN(CCO[C@H]2CCCCO2)CC1 365196988 KPFNCYMHEYCRCW-IBGZPJMESA-N 319.445 2.902 0 50 DFAA C[C@H](c1ccccc1)c1nccn1-c1cccc(-n2cnnn2)c1 71479658 MRHPOSHUNYKXTQ-CQSZACIVSA-N 316.368 3.000 0 50 DFAA Cc1ccccc1NC(=O)N1CCN(Cc2ccccn2)CC1 13325065 PTCDLKIMEJIESF-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA O=C(Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1-n1cnnn1 32096024 DXLLBKOPLZRVAJ-UHFFFAOYSA-N 322.303 2.535 0 50 DFAA Cc1ccoc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72128327 FZJGBZDMVBWQMQ-GOSISDBHSA-N 310.353 2.714 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c2c1 77343006 ICQANLYBGKUCSF-GASCZTMLSA-N 309.413 2.682 0 50 DFAA CC(C)n1nccc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282403691 DQNHCUWXZICGFB-HOCLYGCPSA-N 317.364 2.551 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cn(C)nc1C 328637417 VYDDUPJFEAWZNE-LBPRGKRZSA-N 318.446 2.686 0 50 DFAA CC(C)(C)C(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 220301835 KHUFHTXTLXGZFC-XUJLQICISA-N 303.402 2.596 0 50 DFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2oc(C)cc2c1 222328996 ZRVXSYMJFRGMLS-ABFRBSLYSA-N 315.369 2.521 0 50 DFAA OC1CC(c2cc(NCCc3c[nH]c4ccccc34)ncn2)C1 220550363 BJCKDDSEJDRWPY-UHFFFAOYSA-N 308.385 2.851 0 50 DFAA CC(C)c1nnc(COC2CN(C(=O)[C@@H]3CC=CC[C@H]3C)C2)o1 606445824 RPNAPAVBWHBYOA-TZMCWYRMSA-N 319.405 2.523 0 50 DFAA CCOCCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 426393104 YGTQDXIIBNMWMT-UHFFFAOYSA-N 301.390 2.878 0 50 DFAA CC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20385433 XWWQXRQAGLRPGD-MRVPVSSYSA-N 321.686 2.900 0 50 DFAA O=C(O)[C@H]1CS[C@H](c2ccc(COc3ccccc3)o2)N1 20606370 GDMDNRGBTOBYSJ-TZMCWYRMSA-N 305.355 2.647 0 50 DFAA CN1CC[C@@H](N(C)C(=O)c2ccc(-c3ccccc3CO)cc2)C1 426628703 DDOPFULPXTYBQS-GOSISDBHSA-N 324.424 2.622 0 50 DFAA COCCCN1CCC[C@H](c2nccn2Cc2cscn2)C1 95391572 GPNOSOQWCARHLA-AWEZNQCLSA-N 320.462 2.604 0 50 DFAA O=C(c1ccc(F)cc1)N1CCC[C@@](CC2CC2)(C(=O)O)C1 91645764 FZOKUBCPUCYQRZ-KRWDZBQOSA-N 305.349 2.933 0 50 DFAA Cc1cccnc1N1CCC[C@@H](c2nccn2CCN(C)C)C1 95375322 CVUGDLZYMXWDGX-MRXNPFEDSA-N 313.449 2.532 0 50 DFAA CCCc1nnc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)o1 95379097 ITESTHLTQLYILH-AWEZNQCLSA-N 316.405 2.804 0 50 DFAA CCCc1cc(CNC(=O)Cn2ccnc2-c2ccccc2)on1 91617087 RQCZWHLUASIHLR-UHFFFAOYSA-N 324.384 2.807 0 50 DFAA Cn1ccnc1CN(CCC(=O)NC1CCCCCC1)C1CC1 244678585 IGHQDKLCUPLJTQ-UHFFFAOYSA-N 318.465 2.614 0 50 DFAA O=C(Nc1ccc2[nH]ncc2c1)c1cc(OCC(F)F)ccn1 182374124 QNXKTSHUKBSCTI-UHFFFAOYSA-N 318.283 2.854 0 50 DFAA 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2.506 0 50 DFAA CN1CC[C@@H]2CN(Cc3cnc(C4CCCCC4)nc3)C[C@@H]21 248102122 FDKSGVZAOQPKCZ-SJORKVTESA-N 300.450 2.660 0 50 DFAA Cc1cc2c(cc1CN1C[C@H](C(=O)O)[C@@H](C(C)C)C1)OCCO2 248337839 QKPNWDFPGNVKIE-CABCVRRESA-N 319.401 2.555 0 50 DFAA CC(C)(C)OC(=O)N1CCC(Nc2ccccc2CO)CC1 16696610 JYEZFXKKAYQZOC-UHFFFAOYSA-N 306.406 2.990 0 50 DFAA in-vitro CCc1cnc(CC(=O)NCCc2ccc(OC(C)C)cc2)[nH]1 585121213 IOLFEKQPOAJQDI-UHFFFAOYSA-N 315.417 2.661 0 50 DFAA CCN1CC[C@H](N[C@@H](C)C(=O)O)[C@H]1c1ccc(Cl)c(F)c1 263575560 PETKJGTZDIBBPE-QCZZGDTMSA-N 314.788 2.677 0 50 DFAA CN(C)C(=O)c1cnc(N[C@H]2CCC[C@@H](N(C)C)C2)c(Cl)c1 267234421 GDWBLXAIAXTEBY-QWHCGFSZSA-N 324.856 2.722 0 50 DFAA C[C@@H]1CCC[C@@H](C)C1NC(=O)/C=C/CN(C)CC(F)(F)F 815637249 QUOCUPVZFBOAKA-ZOUVEMKTSA-N 306.372 2.978 0 50 DFAA C[C@H](O)[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1F 843086845 JMKNOKXEBZBLIX-MZPVMMEZSA-N 307.340 2.710 0 50 DFAA CCCn1c(NC(=O)[C@@H]2NCC23CCCC3)nc2ccccc21 852779797 JGUCRHFUNIEYDE-HNNXBMFYSA-N 312.417 2.917 0 50 DFAA Cc1ncc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)cn1 865771853 QHCTVWNFXKVDTK-MRXNPFEDSA-N 305.809 2.522 0 50 DFAA COc1ccc(N[C@@H](C)c2cc(C3CCOCC3)nn2C)cn1 1875285494 OVLIEBLHISKKHJ-LBPRGKRZSA-N 316.405 2.891 0 50 DFAA Cc1ccc([C@@H](C)C(=O)N2CCC(c3ncon3)CC2)s1 1875284237 RVBJPHIVMLCEOU-LLVKDONJSA-N 305.403 2.949 0 50 DFAA CO[C@]1(c2nnc(Cc3c(F)cccc3Cl)o2)CCOC1 886082149 DZECCYHPKDDRTB-CQSZACIVSA-N 312.728 2.715 0 50 DFAA CCCN1C[C@@H](CNCc2cc3c(O)cccc3s2)CC1=O 895032348 XVYHBTIXVOKFGG-GFCCVEGCSA-N 318.442 2.955 0 50 DFAA O=c1cc(CN2CCCCC[C@@H]2c2ccncc2)[nH]c2ccnn12 1775996393 RVLVUYOSVKKWQL-MRXNPFEDSA-N 323.400 2.535 0 50 DFAA O=C(N=c1cc2n([nH]1)CCC2)c1ccc(Oc2ccccc2)cn1 2325786832 HUTHTYSMWYOSTF-UHFFFAOYSA-N 320.352 2.691 0 50 DFAA COc1c(COC(=O)c2c[nH]c3cccc(F)c23)occc1=O 2325874759 ZXZSXZGTNHFAQP-UHFFFAOYSA-N 317.272 2.626 0 50 DFAA CC(C)(C)c1coc(CN2CCC(Nc3cccnn3)CC2)n1 891954258 BEQZTZBNOGJUDV-UHFFFAOYSA-N 315.421 2.839 0 50 DFAA COc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 102692 QELHVECPRXPXPP-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC 127160 YHYCQZACDQTHLU-ZUZCIYMTSA-N 318.373 2.665 0 50 DFAA COn1c2c(c3c4nonc4c(Br)cc31)CCCC2 501149 DFLMQFJXIIWGBG-UHFFFAOYSA-N 322.162 2.877 0 50 DFAA O=C(N[C@@H](O)C(Cl)(Cl)Cl)c1ccccc1Cl 1462058 SWJIKSUFWGEOBV-QMMMGPOBSA-N 302.972 2.758 0 50 DFAA COc1cc([C@H]2OC(=O)c3c2ccc(OC)c3OC)ccc1O 1506477 GGLIVZOPFCLGSH-OAHLLOKOSA-N 316.309 2.678 0 50 DFAA Cn1ccc2ccc(C(=O)N3CCC[C@H]3c3cccnc3)nc21 2356137226 SZTPDQXZVJVTIQ-INIZCTEOSA-N 306.369 2.946 0 50 DFAA Cc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1 2865405 OJMSVYUHHSVEIM-UHFFFAOYSA-N 318.185 2.893 0 50 DFAA CCCCS(=O)(=O)Nc1cc(Cl)c(OC)cc1OC 6726953 SXCFETJCVZMLER-UHFFFAOYSA-N 307.799 2.899 0 50 DFAA CCn1c(C)cc(C(=O)CN2C(=O)COc3ccccc32)c1C 10683231 VWXHQMMNWHXSFB-UHFFFAOYSA-N 312.369 2.733 0 50 DFAA O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 9236194 UOPNTSRIYURSMD-GFCCVEGCSA-N 304.365 2.628 0 50 DFAA Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](CN)CC(C)C)c1 225468815 QVTCSMPGPCVTQU-HNNXBMFYSA-N 304.434 2.756 0 50 DFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCNC2)c2cccc(C)c2n1 55036165 ITYYIHOMXMDPSE-OAHLLOKOSA-N 311.429 2.923 0 50 DFAA CCc1csc(CNC(=O)c2ccc(N(C)C(C)C)nc2)n1 20907347 CPJBFUHAEAJDKZ-UHFFFAOYSA-N 318.446 2.875 0 50 DFAA C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1 246684570 KACFGRDACMIPRI-JSGCOSHPSA-N 314.351 2.618 0 50 DFAA C[C@@H](NCCC(=O)Nc1ccc(C(N)=O)cc1)C1=CCCCC1 65382276 CPNYLJWGRNRHOV-CYBMUJFWSA-N 315.417 2.593 0 50 DFAA CC(C)(C)CN1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 23359025 VIQCXGLMJNODCY-KRWDZBQOSA-N 308.441 2.740 0 50 DFAA CSc1ccc(CC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 23250673 URYMJATULWODEA-WBVHZDCISA-N 318.486 2.894 0 50 DFAA CN(CCc1ccccc1)[C@@H]1CCCN(Cc2cnn(C)c2)C1 20911808 RFZDZEWKNSDXQD-LJQANCHMSA-N 312.461 2.559 0 50 DFAA CSCCC(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 174917220 FIOOWHCKKANNAW-INIZCTEOSA-N 306.475 2.720 0 50 DFAA Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)C3(N)CC3)CC2)c1 67804006 VDFKVAXWUHSJSI-UHFFFAOYSA-N 324.428 2.582 0 50 DFAA Cc1sc(NC(=O)c2cc(F)ccc2F)c(C(N)=O)c1C 6527602 YXASMQCFCOPXGD-UHFFFAOYSA-N 310.325 2.994 0 50 DFAA O=C(CCC1CCOCC1)Nc1ccc2nc(S)[nH]c2c1 121783734 MLNDKVZFMIQOMV-UHFFFAOYSA-N 305.403 2.997 0 50 DFAA CCc1noc(C)c1CN1C(=O)N[C@@](C)(c2ccsc2)C1=O 123011827 WJGVGBRBJPIQBF-HNNXBMFYSA-N 319.386 2.574 0 50 DFAA CCN1CCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 72432600 UHZBPFOBHGNVGS-KRWDZBQOSA-N 318.461 2.604 0 50 DFAA CC(C)c1noc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)n1 72135307 QHZZZZXRDFFJOP-LSDHHAIUSA-N 306.454 2.889 0 50 DFAA Nc1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)cn1 215878251 XTCWAZRMVANMJM-INIZCTEOSA-N 310.401 2.686 0 50 DFAA CC(=O)Nc1ccc(O)c(C(=O)N(C)C2Cc3ccccc3C2)c1 71748779 JAJTVCFZUDLYEM-UHFFFAOYSA-N 324.380 2.590 0 50 DFAA COc1ccc(OC)c(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 155495817 WZBQGSHPUGJXNV-UHFFFAOYSA-N 324.340 2.741 0 50 DFAA c1ccc([C@H]2[C@H]3CC[C@@H](C3)CN2Cc2nnc3n2CCOC3)cc1 374841061 DDKHTLCVARCQCX-QOKNQOGYSA-N 324.428 2.782 0 50 DFAA CCCO[C@H]1CCCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 158205294 MTQNFBHTRNRNOC-BBRMVZONSA-N 322.453 2.640 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)NC1CCC(C(=O)O)CC1 261747498 OPZPIOOCGLJNAF-UHFFFAOYSA-N 314.385 2.778 0 50 DFAA Cn1cncc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72143648 LSSZFJZUQDOICT-UHFFFAOYSA-N 304.357 2.971 0 50 DFAA C[C@H](CNC(=O)COc1ccc(Cl)c2ccccc12)C(=O)O 262057903 GMSFFQCXGBMWRB-SNVBAGLBSA-N 321.760 2.709 0 50 DFAA CC(C)(C)CCCC(=O)N1CCN(CC2CCOCC2)CC1 172458504 VWYVBSGDLFGSFT-UHFFFAOYSA-N 310.482 2.774 0 50 DFAA COC[C@@H]1[C@@H](NC(=O)Nc2c(C)cccc2Cl)[C@@H]2CCO[C@@H]21 223716008 IZUDSGJNPCZTOV-JLUCKKNBSA-N 324.808 2.820 0 50 DFAA C[C@H](C(=O)N(C)c1ccc(OCC(=O)O)cc1)c1cccs1 263158037 VGQOHIDLXZIFSJ-NSHDSACASA-N 319.382 2.978 0 50 DFAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)[nH]n1 226848281 KQHDSZGLKRRGSO-YOEHRIQHSA-N 318.465 2.603 0 50 DFAA C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 148047998 VDQPNOWYYSSZQK-CQSZACIVSA-N 318.417 2.869 0 50 DFAA Cc1cccc([C@H](C(=O)NCCc2ccc(O)cc2)N(C)C)c1 95391755 OQRYZNVDPNKCNV-GOSISDBHSA-N 312.413 2.662 0 50 DFAA CCc1cc(N2CCC(NC(=O)C(C)(C)C3CC3)CC2)ncn1 289312857 WRLMPMMXHUDGJP-UHFFFAOYSA-N 316.449 2.560 0 50 DFAA Cc1nn(C)c2nc(NCCCn3nccc3C3CC3)sc12 96160915 PDKURMLFQGHVPG-UHFFFAOYSA-N 316.434 2.914 0 50 DFAA Cc1ccc2nc(C(=O)NCc3sc(C)nc3C)cn2c1 91304921 FNOGUYOZWBOVPW-UHFFFAOYSA-N 300.387 2.646 0 50 DFAA CCn1cc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)nn1 95530400 LCDGHOFDGTWMSR-UHFFFAOYSA-N 315.352 2.758 0 50 DFAA CC(C)(N)C(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 91745454 BOPPVWRPXYHOFD-KRWDZBQOSA-N 324.424 2.998 0 50 DFAA CC(C)CN(CCn1cnc2ccccc21)Cc1cnn(C)c1 244595052 DNVANIIICCFTKP-UHFFFAOYSA-N 311.433 2.928 0 50 DFAA NC(=O)c1cc(NC(=O)CC2CCC(C(F)(F)F)CC2)c[nH]1 180717906 DTPLZAJQFRZEJP-UHFFFAOYSA-N 317.311 2.811 0 50 DFAA COCCNc1nc2ccccc2n1C[C@H](O)c1ccccc1 252507990 WZJAIQCNDZDIHC-KRWDZBQOSA-N 311.385 2.828 0 50 DFAA CN(CC[C@@H]1CCCCO1)C(=O)Nc1ccc2c(c1)CC(=O)N2 299765861 CMBMRTZHAVBLPB-AWEZNQCLSA-N 317.389 2.604 0 50 DFAA CSCc1nc(CNC(=O)C[C@H](C)n2ccnc2C)cs1 299799718 YYKCFOJEASCSFV-JTQLQIEISA-N 324.475 2.779 0 50 DFAA Cc1nccn1CCN(C)Cc1cc(CN2CCCC2)cs1 823719874 ULLCQFHNWHIRSV-UHFFFAOYSA-N 318.490 2.981 0 50 DFAA O=C(c1cccc2c1NCCC2)N1CCC[C@H](c2ccncn2)C1 584897980 JWVJLMYYSXPZGU-HNNXBMFYSA-N 322.412 2.855 0 50 DFAA Cc1n[nH]cc1CN(C)C1CCN(C(=O)c2cccs2)CC1 952989156 HSUSYNFMESQKSU-UHFFFAOYSA-N 318.446 2.516 0 50 DFAA CCOC1CC(CC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(C)C)C1 1457091197 LQWCLMKVJKQRRA-JYSRZZCRSA-N 322.493 2.913 0 50 DFAA Cc1ccc(F)c(CN2CCN(c3ccnc(C)n3)CC2)c1 273691394 BKGCKZJBJMRLSF-UHFFFAOYSA-N 300.381 2.555 0 50 DFAA CCO[C@@H](C)c1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1 274116851 WCNYRSDBSYTJCQ-JSGCOSHPSA-N 315.373 2.683 0 50 DFAA CCCc1cc(NCc2cccc(CN(C)C)c2)n2ncnc2n1 170646405 YWYSSZGXELUISN-UHFFFAOYSA-N 324.432 2.751 0 50 DFAA O=C(c1ccnc(C2CC2)n1)N1CCO[C@@H](c2cccs2)C1 675512288 PVPVERSOJFUPQN-CYBMUJFWSA-N 315.398 2.629 0 50 DFAA O=C(N[C@H](C(=O)O)c1ccccc1Br)C1CC=CC1 659187792 BDLOQZSQQAVYQQ-LBPRGKRZSA-N 324.174 2.657 0 50 DFAA Oc1ccc2nc(CN3CC[C@@H](n4cc(Cl)cn4)C3)oc2c1 1615054843 ZLKUQKDTPQOZHC-LLVKDONJSA-N 318.764 2.830 0 50 DFAA Cc1cnc(C(=O)N2CCCC[C@@H]2C2(CN)CCC2)cc1C 1615553485 HBPXYGSYHKXWRL-MRXNPFEDSA-N 301.434 2.822 0 50 DFAA Cc1nc(S(=O)(=O)N2CCC[C@@H]3C[C@H]32)c(-c2ccccc2)o1 1615586537 OJIFWHNSNRZXGH-ZIAGYGMSSA-N 318.398 2.823 0 50 DFAA CCCC[C@H]1CN(C(=O)c2cccc(O)n2)C[C@@H](C2CC2)O1 1616082816 FAXMKQPNLHNRPW-ZFWWWQNUSA-N 304.390 2.597 0 50 DFAA C[C@H]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)[C@@H](C(N)=O)C1 1616036192 PHXZGGIDDZONLJ-IONNQARKSA-N 321.730 2.844 0 50 DFAA CN1C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H](C(F)(F)F)C1 1616037630 DOMMJJYFOSJBNP-IUCAKERBSA-N 308.250 2.643 0 50 DFAA COCC1(CNC(=O)/C=C/c2cc(CO)cs2)CCCC1 1506398066 JHCHKYPJWDBUJY-SNAWJCMRSA-N 309.431 2.577 0 50 DFAA Cc1cccc(C(=O)N/C(=C/c2ccco2)C(=O)N2CCCC2)c1 337319 WUJMCOMZHKWKPI-GHRIWEEISA-N 324.380 2.981 0 50 DFAA CC(C)Cc1ccc(CNCCN2CCC[C@H](CO)C2)s1 1506405482 BVBQPUBIAUFDCV-HNNXBMFYSA-N 310.507 2.741 0 50 DFAA CCCCCc1nc(-c2cnc(C)cn2)n([C@@H]2CCOC2)n1 1772812936 SRMWMPRRJMZNRB-CYBMUJFWSA-N 301.394 2.738 0 50 DFAA O=C(C[C@@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCCO1 11716376 KBCRKXAVOAFHRM-KRWDZBQOSA-N 313.353 2.784 0 50 DFAA C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccon1 12380967 BSPUGOKISDSMSK-MRVPVSSYSA-N 311.135 2.843 0 50 DFAA O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)n2c(nc3ccccc32)N1 13123867 ICAISFJGTSPGIP-CYBMUJFWSA-N 324.315 2.639 0 50 DFAA aggregator CCc1sc(C(=O)NC[C@@H]2CCCO2)cc1Br 13327644 CHEDXYCWIQVVQO-QMMMGPOBSA-N 318.236 2.982 0 50 DFAA COc1cc(C)c(/C=C2\NC(=S)N(C)C2=O)cc1C(C)C 15010517 XLIHHDGMSBTWCM-JYRVWZFOSA-N 304.415 2.814 0 50 DFAA CC(=O)[C@@H]1[C@@H](c2ccccc2F)c2c(noc2C)C[C@@]1(C)O 15724181 RYOXSGBQXZYRKQ-GVDBMIGSSA-N 303.333 2.766 0 50 DFAA Cc1cc(OCCOCCN2CCOCC2)cc(C)c1Cl 16666919 MCZUAZJRTAITSD-UHFFFAOYSA-N 313.825 2.684 0 50 DFAA CCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O 18266662 QQXAZCAMMAWWIS-UHFFFAOYSA-N 309.373 2.944 0 50 DFAA Cc1cc(N[C@@H](C)[C@H](O)c2ccc(O)cc2)n2nc(C)cc2n1 217010139 DRHZHFXDTUSYGA-SJCJKPOMSA-N 312.373 2.586 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1 225538782 PSZJGLYCPRMPKQ-RDJZCZTQSA-N 315.344 2.782 0 50 DFAA Cc1sc2ncn(CC(=O)NC3CCCCC3)c(=O)c2c1C 6147450 YBYRRZDFLPQVKR-UHFFFAOYSA-N 319.430 2.524 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@H]1OCCc2ccccc21 237934003 KDLXAKJGGUAREU-YOEHRIQHSA-N 317.385 2.546 0 50 DFAA CC(C)[C@]1(CO)CCCN(Cc2cnn(C)c2C(F)(F)F)C1 339699539 AEWXJMAQTUQESW-CQSZACIVSA-N 319.371 2.669 0 50 DFAA O=C(NCc1cccc(C(=O)O)c1)NC[C@H]1CCc2ccccc21 666527415 DZPSOKNYOUNGJP-MRXNPFEDSA-N 324.380 2.914 0 50 DFAA O[C@H]1CN(c2ncnc3c2oc2ccccc23)CC(F)(F)C1 682477844 USPOKXIUXJWGRI-SECBINFHSA-N 305.284 2.582 0 50 DFAA CNC[C@H]1CCCN(C(=O)CCCOc2ccc(C)c(C)c2)C1 159110969 AKDCBVMNBHVFQI-QGZVFWFLSA-N 318.461 2.920 0 50 DFAA CC[C@@H](C)C[C@H](NCc1ccc(N(C)C(C)C)nc1)C(=O)O 901683518 RPOVLPNHBNCJCH-HIFRSBDPSA-N 307.438 2.905 0 50 DFAA C=CC(=O)N(Cc1cccc(C)c1F)[C@H]1CCN(C2CC2)C1 1875382576 HNABDTRRBGWXGK-INIZCTEOSA-N 302.393 2.885 0 50 DFAA O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC[C@@H]1c1ccccc1 1875349575 BYYHRLJDSKQQMZ-SJORKVTESA-N 319.368 2.795 0 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305.369 2.944 0 50 DFAA Cn1nnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 3513228 FNNLYGULAOCILY-UHFFFAOYSA-N 310.382 2.852 0 50 DFAA CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 3991834 QCYBLCRWQLEQKP-UHFFFAOYSA-N 322.361 2.609 0 50 DFAA Cc1c(C)n(CCN(C)C)c2ncnc(NCc3cccnc3)c12 6672899 HXUOAEHJANFCMI-UHFFFAOYSA-N 324.432 2.617 0 50 DFAA CCc1nc(N2CCC[C@H]2C(=O)O)c2oc3ccccc3c2n1 55157334 VHWPVFLQOPFZLH-NSHDSACASA-N 311.341 2.992 0 50 DFAA CO[C@@H](CC(C)C)CN1CCn2c(nnc2-c2ccccc2)C1 419218726 SBIFBBOCNWMFIM-INIZCTEOSA-N 314.433 2.822 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 246882488 IFERJDJJRRXUOX-ZWKOPEQDSA-N 313.228 2.904 0 50 DFAA CC1CCN(c2nc3nccc(-c4cccnc4)c3c(=O)[nH]2)CC1 67601767 HTGZOXOZUBZAKE-UHFFFAOYSA-N 321.384 2.616 0 50 DFAA CCN(CC)CCn1ccnc1-c1cnc(-c2ccccn2)nc1 67604725 JYSJKVNIFBJGDY-UHFFFAOYSA-N 322.416 2.744 0 50 DFAA Cc1cc(C)n(C[C@H](C)Nc2nncc(-c3ccc(C)o3)n2)n1 12000709 QJZNIGUJRBRKOL-NSHDSACASA-N 312.377 2.754 0 50 DFAA Cc1cc(C(=O)NC[C@@H]2CCCN(CC(C)C)C2)ccc1O 67723815 IQNNPZGUXUEYIF-HNNXBMFYSA-N 304.434 2.798 0 50 DFAA CCc1nn(-c2ccccc2)c(NC(=O)c2nnc(C)o2)c1C 65527002 RBRDHOXAPSVFHC-UHFFFAOYSA-N 311.345 2.687 0 50 DFAA Cc1[nH]cnc1CC(=O)NCc1ccc(Oc2ccccc2)nc1 253417821 DSASKVFSPXIXLE-UHFFFAOYSA-N 322.368 2.764 0 50 DFAA CN1C[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CCC1=O 328596888 BFXLNLYVEXVPFX-LBPRGKRZSA-N 316.323 2.638 0 50 DFAA CC(C)(C)c1csc(CNC(=O)NC[C@H]2CCCOC2)n1 170923147 GBFQMKCTENYURO-LLVKDONJSA-N 311.451 2.666 0 50 DFAA Cc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)s1 38149271 MKEIXYPKFBWTOL-MRXNPFEDSA-N 308.491 2.868 0 50 DFAA COCCC[C@H]1CCCN(Cc2ccc(O)c(C(=O)O)c2)C1 77377370 AZAACEIIDUBMLU-CYBMUJFWSA-N 307.390 2.729 0 50 DFAA O=C(c1cc2occc2[nH]1)N1CCN(c2cccs2)CC1 153637221 HWFRTVXXMCRMHG-UHFFFAOYSA-N 301.371 2.785 0 50 DFAA O=C(Cc1ccc(F)cc1)Nc1nnc([C@H]2CCCO2)s1 36354227 UIXPJZUHSXRLSK-LLVKDONJSA-N 307.350 2.710 0 50 DFAA C[C@@H]([C@H]1COc2ccccc2O1)n1cnc2ccccc2c1=O 32553411 AQNQERHRZLHEKZ-YVEFUNNKSA-N 308.337 2.798 0 50 DFAA CCc1[nH]c2ccc(CNC(=O)c3ccc(=O)oc3)cc2c1C 71747204 ICWKKJZWHUHOIA-UHFFFAOYSA-N 310.353 2.922 0 50 DFAA COc1cc([C@H](C)NC(=O)N[C@@H](C)[C@H]2CCCO2)ccc1F 240744044 HUDRHILGYQXUDX-COPLHBTASA-N 310.369 2.762 0 50 DFAA C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CC(c2cccnc2)C1 72171099 RAIUZVYTZRJDNA-LLVKDONJSA-N 318.323 2.753 0 50 DFAA COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 17353042 ZWNHWIIWCRFOOW-UHFFFAOYSA-N 316.273 2.958 0 50 DFAA biogenic C[C@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H]1c1ccccc1 174000791 WOMQUXNVSVKJSH-SUMWQHHRSA-N 323.396 2.688 0 50 DFAA NC1CC(c2cc(NCC3(N4CCCC4)CCCC3)ncn2)C1 222287204 MRHNCPCNDXIOSZ-UHFFFAOYSA-N 315.465 2.502 0 50 DFAA CCn1nc(C)c(CCNC(=O)c2cc(C(C)C)on2)c1C 82098553 PAVBPWIPVQUWNW-UHFFFAOYSA-N 304.394 2.604 0 50 DFAA Cc1cnccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 192558632 AYZNEVOVUMABOV-UHFFFAOYSA-N 317.339 2.631 0 50 DFAA Fc1ccccc1-c1cc(-c2nc([C@@H]3CCOC3)no2)[nH]n1 96180299 RZLAXICDORIUHG-SECBINFHSA-N 300.293 2.770 0 50 DFAA COc1cc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)ccc1C 97475480 SOQWIVRTENDBHK-NSHDSACASA-N 302.378 2.788 0 50 DFAA COCc1n[nH]c([C@@H]2CCCCN2Cc2ccccc2F)n1 289147444 PYSURAHTWLMKNL-AWEZNQCLSA-N 304.369 2.817 0 50 DFAA COc1ccc(-n2cccn2)c(CN2CCCCC[C@H]2CO)c1 97346723 HIRLIPYVKZVSOO-INIZCTEOSA-N 315.417 2.618 0 50 DFAA CCSc1ccccc1NC(=O)NCCn1nc(C)nc1C 96148247 DIKHPFHXMKWDOS-UHFFFAOYSA-N 319.434 2.829 0 50 DFAA COc1cccc([C@@H]2CCN2C(=O)CCc2n[nH]c(C)c2C)c1 97505826 HIBMDXQHZXLAQQ-KRWDZBQOSA-N 313.401 2.941 0 50 DFAA O=C1Nc2ccccc2C12CCC(N[C@@H]1CCCOC1)CC2 177933507 VGXGSGYCTDDWPB-TXKKKEFDSA-N 300.402 2.588 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)c2cccc3nccnc23)c1 97674272 PFYUTNUOHKOUPI-UHFFFAOYSA-N 306.369 2.914 0 50 DFAA O=C1CCCN1c1ccc(CNc2ncc(Cl)cn2)cc1 267127132 VCNICGGOWSSLRP-UHFFFAOYSA-N 302.765 2.869 0 50 DFAA Cn1ccc(-c2noc([C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)n1 634667726 XKFHUIXGPUTAJS-NEPJUHHUSA-N 324.340 2.512 0 50 DFAA O=C(COC[C@@H]1CCCO1)NCc1cc2ccccc2s1 299774129 AVLOVARJTKHGLS-ZDUSSCGKSA-N 305.399 2.713 0 50 DFAA O=C(NCCCc1ccccc1F)NCC1(O)CCCCC1 475489713 UXOUOKBQBVHPER-UHFFFAOYSA-N 308.397 2.753 0 50 DFAA Cc1ncsc1CCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 664152853 VTNAJPZZHBLNQH-LBPRGKRZSA-N 304.419 2.513 0 50 DFAA CCc1nnc(CN(C)C[C@@H](C)Cc2ccc3c(c2)OCO3)o1 670454198 FOKORXHUFJDXAR-LBPRGKRZSA-N 317.389 2.671 0 50 DFAA C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CC=CCC1 408484378 LYWSFDUUAZDRCF-LBPRGKRZSA-N 319.835 2.953 0 50 DFAA C[C@H](Cc1ccc(NC(=O)c2cnn(C(F)F)c2)cc1)C(=O)O 630162481 LZRUQQKBRHIAHE-SECBINFHSA-N 323.299 2.794 0 50 DFAA Cn1ncc(N[C@@H]2CCCOc3cc(F)ccc32)c(Cl)c1=O 272030148 RNIGKTQUVTZKPK-LLVKDONJSA-N 323.755 2.899 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2ccccc2)cn1 275241193 FHSFUPRCSUYYCS-XOKHGSTOSA-N 313.401 2.858 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)no1 684789335 RBQYLLIIIZQNCL-UONOGXRCSA-N 305.765 2.992 0 50 DFAA O=C(O)[C@H]1CC[C@@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)C1 194490340 JXBICAXNSIOPGH-CMPLNLGQSA-N 323.339 2.756 0 50 DFAA Cc1csc(Cl)c1C(=O)NC[C@@H](CO)c1cccnc1 1615541908 VGQIHFICQSJHAA-NSHDSACASA-N 310.806 2.611 0 50 DFAA N[C@@H]1CC12CCC(NC(=O)c1cc(F)c3ncccc3c1)CC2 1615545482 HULGSIGTQJRUDT-NSWWBONSSA-N 313.376 2.764 0 50 DFAA CCCc1ccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)o1 1615964525 OHPFBVYVJYTVEM-YJBOKZPZSA-N 300.402 2.663 0 50 DFAA Clc1cc(CN2CC[C@@H](c3ncccn3)C2)cc2c1OCO2 1616035044 PKHYWVJKJOISMA-GFCCVEGCSA-N 317.776 2.848 0 50 DFAA Cc1ccc(NC2(C(=O)N[C@@H]3CCCNC3)CCCCC2)cc1 1506416819 FWCFARHGAHOHGJ-QGZVFWFLSA-N 315.461 2.978 0 50 DFAA COc1cc(/C=C/C(=O)Nc2ccncc2)cc(OC)c1OC 318106 RTYQGUHNLADZJF-SNAWJCMRSA-N 314.341 2.759 0 50 DFAA NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 453012 IVGKIFKAYKGQBI-GXDHUFHOSA-N 300.745 2.596 0 50 DFAA CCC(=O)Nc1ccc(N2CCOCC2)c(Br)c1 12856491 VXRNYVSTXWMVBX-UHFFFAOYSA-N 313.195 2.634 0 50 DFAA Cc1cc(C)cc(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)c1 1775982072 PSPPMXYWDZCZLZ-QGZVFWFLSA-N 318.461 2.873 0 50 DFAA O=C1[C@H](c2ccccc2)CS(=O)(=O)C[C@@H]1c1ccccc1 15768712 SNQCMLILKIMIOR-IYBDPMFKSA-N 300.379 2.552 0 50 DFAA CC(C)Cc1noc(-c2ccc(N(C)Cc3ccncn3)nc2)n1 19840663 LAXFLSHWOPMXPO-UHFFFAOYSA-N 324.388 2.757 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H]2C[C@@]2(C)C1 1857689615 ICAHSXXNEUOYLC-BEFAXECRSA-N 309.413 2.900 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1c(C)[nH]c(C(C)=O)c1C 1857676486 UHLQUEZFAVTNTD-IYOUNJFTSA-N 318.417 2.600 0 50 DFAA CCn1cc(S(=O)(=O)N(C)C2CCC(C)(C)CC2)nc1C 408057812 ADOGUMPDFXADLF-UHFFFAOYSA-N 313.467 2.801 0 50 DFAA CCn1ncnc1CS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 225588058 SIFSMXMNGAAOFB-UHFFFAOYSA-N 321.446 2.814 0 50 DFAA CCn1cc(C(=O)N2CCC(COc3ccccc3)CC2)cn1 114330265 BFLFMTVCPIWFSZ-UHFFFAOYSA-N 313.401 2.834 0 50 DFAA Cc1cccc(C)c1OC1CCN(C(=O)[C@H]2CC[C@H](N)C2)CC1 237642244 HCDLJSWGMMARPY-HOTGVXAUSA-N 316.445 2.801 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 238087345 HVEMAMOGEOXFKD-KRWDZBQOSA-N 309.365 2.829 0 50 DFAA C[C@@H](C(=O)N1CCC(O)(Cc2ccccn2)CC1)c1ccccc1 585130905 FXFRLTCCGYXBGB-MRXNPFEDSA-N 324.424 2.781 0 50 DFAA O=C(N1CCOCC2(CC2)C1)C(F)(F)c1cc(F)cc(F)c1 821832824 JNLBVMALFJKHMA-UHFFFAOYSA-N 317.282 2.696 0 50 DFAA O=C(Nc1cccnn1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 930348400 ZTPAFWRNOKGLSQ-INIZCTEOSA-N 324.384 2.862 0 50 DFAA O=C(O)[C@@H](CNCc1cc2cc(F)ccc2o1)C1CCOCC1 863743233 JGZQCCWDBDOYQJ-HNNXBMFYSA-N 321.348 2.789 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](c2noc(-c3cccnc3)n2)C1 952848604 IOFMBLYHXXTUCK-LBPRGKRZSA-N 316.361 2.856 0 50 DFAA Cc1c(C(F)(F)F)n[nH]c1CNc1cnn(-c2ccccn2)c1 1875317003 LRLXWRNBHLSLCU-UHFFFAOYSA-N 322.294 2.930 0 50 DFAA Cc1cccc2cc(OC[C@H]3C[N@]3Cc3cnn(C)c3)cnc12 1875379220 OGWQMAZXGBNJSR-ZHRRBRCNSA-N 308.385 2.540 0 50 DFAA O=C(NCc1cn2ccccc2n1)N(Cc1ccoc1)C1CC1 891562360 NTSLORLWIJANIV-UHFFFAOYSA-N 310.357 2.802 0 50 DFAA CCCc1cnc(NC(=O)[C@H]2CCCc3c2ncn3C)s1 2325779772 BKAVLGDFXPGRFW-NSHDSACASA-N 304.419 2.888 0 50 DFAA COc1ccc(N[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 100790288 UFSVQTRWFGFLQX-KRWDZBQOSA-N 324.380 2.743 0 50 DFAA CCOC(=O)c1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1 85195 KANDPJYLMSNGPY-UHFFFAOYSA-N 312.325 2.772 0 50 DFAA Cc1cc(C)nc(SCC(=O)N2CCc3ccccc3C2)n1 117885 HMAAGTPXWSPQFW-UHFFFAOYSA-N 313.426 2.770 0 50 DFAA O=S(=O)(NC1CCCC1)c1ccc(Br)cc1 288610 YWBLLYHIDWYDKP-UHFFFAOYSA-N 304.209 2.670 0 50 DFAA COc1cc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O 1461186 PIAWEHPQWOXPLU-JTQLQIEISA-N 313.309 2.604 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCOc3ccccc3)C[C@H]21 2356136115 HGBDAJPKVNCHSA-WDYCEAGBSA-N 317.429 2.855 0 50 DFAA CN(C)Cc1ccc([C@H]2CC[C@H](c3ccc(CN(C)C)[nH]3)N2)[nH]1 2519584 SFXBYWGDODJASS-QZTJIDSGSA-N 315.465 2.632 0 50 DFAA CC(C)OCCCNC(=O)Cc1ccc(Br)cc1 2873170 LSUCYCDDJVTYQE-UHFFFAOYSA-N 314.223 2.923 0 50 DFAA O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCO1 4777211 IVVLUNAEHQWZRV-KRWDZBQOSA-N 324.380 2.734 0 50 DFAA CCOC(=O)c1c(C)nsc1NC(=O)c1ccc(OC)cc1 6699861 OSCKQDLMJMRBHX-UHFFFAOYSA-N 320.370 2.889 0 50 DFAA COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1Cl 101472318 VFIWTRLHZHTTNY-KWBADKCTSA-N 315.822 2.816 0 50 DFAA CCOc1cccc([C@H]2CC(=O)NCc3nc4ccccn4c32)c1 65453895 KILCCCGRGCVMNQ-OAHLLOKOSA-N 321.380 2.885 0 50 DFAA 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C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@H]4CC(=O)CC[C@@]43C)[C@H]1C[C@H](O)C2 257346248 WBIJEFRHTANRST-QQIYRGOHSA-N 306.446 2.930 0 50 DFAA CC(C)c1nccc(C(=O)NCCCn2ncc3ccccc32)n1 252487734 IAWBWSIHIKFQOV-UHFFFAOYSA-N 323.400 2.770 0 50 DFAA COCc1nnc(NC(=O)[C@@H](CC(C)C)n2cccc2)s1 253412488 RDWAVZCPYDKPGO-LLVKDONJSA-N 308.407 2.712 0 50 DFAA CCCOc1c(Cl)cccc1NC(=O)C[C@H](C)NC(C)=O 952976250 VFUZZMSJHYOCQX-JTQLQIEISA-N 312.797 2.982 0 50 DFAA Cc1nn(C(C)C)c(C)c1CN1CCC(Cn2cnnc2)CC1 895153175 BMEWBRNLZNFGRP-UHFFFAOYSA-N 316.453 2.585 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CC[C@](O)(C3CC3)[C@@H](C)C2)c1 1565514801 OHMICSWURWDFAC-APPDUMDISA-N 323.820 2.972 0 50 DFAA O=C1CCCCN1CC(=O)N1CCCC[C@@H]1c1ccccc1 273915820 PZBCZPWCAQJBCD-MRXNPFEDSA-N 300.402 2.753 0 50 DFAA Cc1csc([C@@H](C)C(=O)N2CCC(n3ccnc3)CC2)n1 667666413 LRAWRQPLMBTSPI-GFCCVEGCSA-N 304.419 2.615 0 50 DFAA Cc1ccc(OCCNC(=O)c2cc(-c3ccncc3)on2)cc1 193695624 JKTQSJBVKBVXBS-UHFFFAOYSA-N 323.352 2.854 0 50 DFAA Cc1nc(C)c(Br)c(NCc2n[nH]c(C)c2C)n1 716457795 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CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 19771682 VFCCNJCFFPULCZ-VQHPVUNQSA-N 322.788 2.558 0 50 DFAA Nc1cc2c(cc1Br)OC(F)(F)C(F)(F)O2 162558477 NYIKJZPXJFXSLT-UHFFFAOYSA-N 302.021 2.988 0 50 DFAA CC(C)(C)c1nnc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)o1 1857730100 YMDPKILITFCHRS-MCIONIFRSA-N 304.438 2.678 0 50 DFAA CN1CC[C@@H](CNCc2cnc3ccccn23)[C@@H]1c1cccnc1 328633454 MAXOSHSXNYXQIR-LPHOPBHVSA-N 321.428 2.512 0 50 DFAA CC(=O)N1CCC(CNC(=O)C[C@@H]2CCCCC2(C)C)CC1 126480215 MHPOWDNPGKXNQD-INIZCTEOSA-N 308.466 2.968 0 50 DFAA CCc1ccnc(CNC(=O)N[C@H]2CCCC23CCOCC3)c1 252484134 FPKZULRUAAQQES-INIZCTEOSA-N 317.433 2.793 0 50 DFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc(F)cn1 358806068 IOROBTVQVFGUMA-BMIGLBTASA-N 301.321 2.542 0 50 DFAA Cn1nccc1[C@H]1CCCCN1C(=O)COC1CCCCC1 374192633 HXBVISZNODAUDT-MRXNPFEDSA-N 305.422 2.823 0 50 DFAA c1ccc(-c2nnnn2Cc2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc1 904101463 AWXWRHLMWCXKMJ-MCIONIFRSA-N 322.372 2.675 0 50 DFAA CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCC(=O)N1C 905990602 KXPYQDOTHDXKNH-AWEZNQCLSA-N 308.809 2.699 0 50 DFAA CN1CCC2(CCCN2C(=O)Cc2cccc3ncccc23)CC1 821480931 LEKLGTQRKKQIDK-UHFFFAOYSA-N 323.440 2.864 0 50 DFAA C[C@]1(C(=O)NCCc2cccc(O)c2)CCOc2ccccc21 934941747 ISKCJFVAAXVKSQ-IBGZPJMESA-N 311.381 2.791 0 50 DFAA CC(C)N(CCC(=O)O)C(=O)c1ccc2c(c1)OC(C)(C)C2 864117786 SHPIIXFGTQRRCO-UHFFFAOYSA-N 305.374 2.725 0 50 DFAA C[C@H]1CCCN(CCNC(=O)c2cccc([C@@]3(C)CCO3)c2)C1 1875274890 YDFSINKVGKVFMP-HNAYVOBHSA-N 316.445 2.784 0 50 DFAA CCCC1CCC([C@H](C)NCC2(C(N)=O)CCOCC2)CC1 1875279616 UOLBQCSJEVRALI-FHERZECASA-N 310.482 2.853 0 50 DFAA C[C@]12CC[C@H]1CCN2C(=O)Nc1cccc(Cn2cncn2)c1 1875296171 IPWBJXPNLBGJBJ-YOEHRIQHSA-N 311.389 2.733 0 50 DFAA O=C(c1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1)c1cccnc1 1875382151 SJSMQBHCQWQHEU-DYESRHJHSA-N 308.381 2.786 0 50 DFAA O[C@@]1(Cc2nc(C3CC3)no2)CCCN(CC2=CCCCC2)C1 888076815 IERVFZCSMBGZCZ-GOSISDBHSA-N 317.433 2.817 0 50 DFAA COCc1nc(O)cc(N2CCC[C@H]2c2ccc(F)cc2)n1 891678064 KAIMOWIYMSILKG-ZDUSSCGKSA-N 303.337 2.809 0 50 DFAA CC(C)c1nnc2c(NCc3cc(C(F)F)on3)nccn12 895606032 UORUQMUARVYNBZ-UHFFFAOYSA-N 308.292 2.785 0 50 DFAA CC(=O)c1ccccc1NC(=O)N1CCOC[C@@H]1C1CCC1 1775988658 IPTGQWDGXOBUNU-MRXNPFEDSA-N 302.374 2.922 0 50 DFAA O=C(O)[C@@]1(n2ncc(C3CC3)n2)CCC[C@@H](c2cccnc2)C1 2325789435 QAVFQYYYOJXCDG-CXAGYDPISA-N 312.373 2.688 0 50 DFAA Fc1c[nH]c(=NCCc2cccnc2)nc1-c1ccsc1 2325823189 JDOWLFCEOGWSKJ-UHFFFAOYSA-N 300.362 2.816 0 50 DFAA O=C1OCCN1c1cccc(CNCc2ccnc3[nH]ccc23)c1 2325859618 DFINCJKXIIYXGN-UHFFFAOYSA-N 322.368 2.809 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 52527 OISWPCKCEJIAHE-CQSZACIVSA-N 309.369 2.690 0 50 DFAA Cc1c(Cl)ccc(S(=O)(=O)NC[C@@H]2CCCO2)c1Cl 367681 OZWDSXBBFCRRSR-VIFPVBQESA-N 324.229 2.759 0 50 DFAA Cc1ccc(N2CCN(C(=O)N3CCCC3)CC2)cc1Cl 611940 MMYDGNPHCSMIQF-UHFFFAOYSA-N 307.825 2.986 0 50 DFAA O=C1N[C@@H](c2cc3c(cc2Cl)OCO3)Oc2ccccc21 2219295 GJAVPKOQKOOIPD-OAHLLOKOSA-N 303.701 2.890 0 50 DFAA Cc1[nH]nc(CN2CCC[C@@]23CCCN(C(C)C)C3=O)c1Cl 2356151745 XKOQMZHKQIFCJL-INIZCTEOSA-N 324.856 2.737 0 50 DFAA O=C(O)c1cc(NCc2ccccc2)ccc1N1CCOCC1 4703556 NNOVHZRJNQMRRP-UHFFFAOYSA-N 312.369 2.834 0 50 DFAA Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nc(CC(C)C)no1 102537717 VSERQNMXTIDUAI-NSHDSACASA-N 320.393 2.683 0 50 DFAA Cc1cccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c1 9197540 BIQUTQHKSVCILR-HUUCEWRRSA-N 300.402 2.606 0 50 DFAA CCN(C[C@H]1CCCO1)C(=O)CCC(=O)NC1CCCCCC1 55133076 STKQEVGSQYUIRY-MRXNPFEDSA-N 324.465 2.633 0 50 DFAA c1coc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 57524669 NBQTWIGSHDZIAC-UHFFFAOYSA-N 303.391 2.822 0 50 DFAA O=C(Cc1ccc(Cl)cc1)NCCCNc1ccccn1 115160119 SMJXXMNKGQGDHK-UHFFFAOYSA-N 303.793 2.896 0 50 DFAA Cc1ccc(CN2CCN(Cc3ccsc3)C[C@@H]2CCO)o1 23358503 YROBMPCYKNCJPT-INIZCTEOSA-N 320.458 2.718 0 50 DFAA COc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 101749147 LYJUWOLHXJASTH-KBUPBQIOSA-N 313.353 2.547 0 50 DFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1385161 UCIVYNVXNNEYDV-KRWDZBQOSA-N 320.348 2.820 0 50 DFAA biogenic O=C1C[C@@H](c2ccc(Cl)cc2)c2snc(C(=O)O)c2N1 65363420 GDPYMOGVDAUFHB-QMMMGPOBSA-N 308.746 2.969 0 50 DFAA CC(C)CO[C@H](C)c1noc(CN2CCO[C@H]3CCCC[C@H]32)n1 245498479 WGFSFRQTMWGHCL-KFWWJZLASA-N 323.437 2.947 0 50 DFAA CC(=O)N(C)CC1=CCCN(Cc2cc(F)c(F)cc2F)C1 65382869 ABZCZOZTTLINKU-UHFFFAOYSA-N 312.335 2.714 0 50 DFAA Cc1nn(C)cc1-n1c(S)nnc1-c1ccccc1Cl 8548546 QCBIYOGRYQRTHN-UHFFFAOYSA-N 305.794 2.918 0 50 DFAA OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 20776835 GEJBXWPZUGXVHT-NRFANRHFSA-N 324.468 2.798 0 50 DFAA CCNc1ncc(CN(C)C2CC(C)(C)NC(C)(C)C2)cn1 67881612 IZZJOOPBVCGDOW-UHFFFAOYSA-N 305.470 2.649 0 50 DFAA Cc1ccsc1-c1nc(Cn2cc(CCO)cn2)c(C)o1 67921979 PJNJKYILKREGQL-UHFFFAOYSA-N 303.387 2.800 0 50 DFAA CN(C1CCOCC1)[C@H]1CCCN(Cc2ccccc2F)C1 22919511 CEDRTIDANHDILI-KRWDZBQOSA-N 306.425 2.901 0 50 DFAA CC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 67654770 RXAKZYLJUJIWDG-LBPRGKRZSA-N 301.217 2.951 0 50 DFAA CN1CCN(Cn2c(=O)oc3ccccc32)[C@@H](c2ccccc2)C1 229735314 IYIJNECUTROCIO-QGZVFWFLSA-N 323.396 2.541 0 50 DFAA CCOc1ccc([C@H](COC)NC(=O)c2ccncc2)cc1 252499126 RVUQPOBDNUTQGT-INIZCTEOSA-N 300.358 2.598 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1C[C@H]1c1ccc(F)cc1 252666601 CAEHGDMJABMDRM-XLAORIBOSA-N 311.356 2.704 0 50 DFAA CN(C)c1ccc(C[C@H]2Nc3cccc(C(=O)O)c3C2=O)cc1 1304633 WAOOYRLBLYAFQH-OAHLLOKOSA-N 310.353 2.670 0 50 DFAA CCNc1ncc(C(=O)N2CCO[C@H](CCCC(C)C)C2)cn1 71497668 HRPYIVLIVSPWEM-OAHLLOKOSA-N 320.437 2.576 0 50 DFAA Cc1nccn1-c1ccccc1Cn1ccnc1[C@@H]1CCOC1 72166248 UUSYODMGLVGIEB-MRXNPFEDSA-N 308.385 2.929 0 50 DFAA O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2nc(C3CC3)no2)C1 121123465 VNAFCTNMQSFEST-BXUZGUMPSA-N 321.327 2.533 0 50 DFAA Oc1cccc(CN[C@@H](c2ccc(F)c(F)c2)c2ncon2)c1 122056136 MOMQZWJXLMFTEN-HNNXBMFYSA-N 317.295 2.933 0 50 DFAA CC(C)(C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc(O)cc1 253404652 CXGBYZYMMCGLSP-BZUAXINKSA-N 303.402 2.744 0 50 DFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cncs1 331403423 SZDUORYXJUAACN-VIFPVBQESA-N 316.308 2.802 0 50 DFAA CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](CC)c1ccccc1 151158295 SWUVBZGGUUJDFA-GJZGRUSLSA-N 312.417 2.985 0 50 DFAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)co1 331669993 UTUQTEKLTCVTSS-DOMZBBRYSA-N 307.296 2.814 0 50 DFAA O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC[C@@H]1CO 153863534 SRDLXIIRAUKUHV-MCIONIFRSA-N 324.218 2.536 0 50 DFAA Cc1nc2n(c1C)CCN(c1ncc(C(F)(F)F)s1)C2 364595022 YWVHAYVEMDBSEH-UHFFFAOYSA-N 302.325 2.995 0 50 DFAA Cc1cc(CCNC(=O)N2CC(C)(C)[C@H]2c2cccnc2)on1 366291296 KXUDSOKJWNEEPC-OAHLLOKOSA-N 314.389 2.713 0 50 DFAA CC(C)(C)c1ncc(/C=C/C(=O)N2CC[C@@](C)(C(=O)O)C2)s1 236635930 QRZWMZIYSQPHDQ-SQRWCISFSA-N 322.430 2.777 0 50 DFAA Cc1cc(CO)oc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 368549850 GWOAMHILYQZKQX-CYBMUJFWSA-N 307.390 2.692 0 50 DFAA CC(C)n1cc(C(=O)N(C)Cc2cnc3ccccc3n2)cn1 77540011 QBGVLCAOEGYFJW-UHFFFAOYSA-N 309.373 2.679 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CC[C@H](N)C1 237170014 XEWBKCSLJDALSE-PWSUYJOCSA-N 316.323 2.671 0 50 DFAA CC(C)CC[C@@H](Nc1cnn(CCN2CCOCC2)c1)C1CC1 338777468 GEWOYDRMFMDXDT-GOSISDBHSA-N 320.481 2.842 0 50 DFAA CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3COCC3(C)C)c12 456530180 BJYIMUUWIWNHRG-OAHLLOKOSA-N 316.401 2.650 0 50 DFAA COc1ccc(NC(=O)CN2CCC3(CC2)CC3)cc1OC 378330199 ZTQUVQRQHRGUFA-UHFFFAOYSA-N 304.390 2.518 0 50 DFAA OC[C@H](Nc1nccc(CCC(F)(F)F)n1)c1cccnc1 71746382 MXFMVFOSRMKRIC-LBPRGKRZSA-N 312.295 2.512 0 50 DFAA COC(=O)c1c(NC(=O)C[C@H](C)CC(=O)O)sc(C)c1C 17052427 ZVWNKSPAQBXKKC-ZETCQYMHSA-N 313.375 2.591 0 50 DFAA O=C(CCn1cncn1)N1CCCC[C@H]1CCc1cccs1 82121823 NVAUFDSZPDOEIG-AWEZNQCLSA-N 318.446 2.744 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(N)=O)c1C 42851386 LOZSGLICBIRVGC-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA O=C(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2Cl)c1 222305466 KIPMZKJUQRWSFD-CQSZACIVSA-N 305.765 2.575 0 50 DFAA Cc1ccc([C@@H](O)CN2CC[C@H](OCc3ccncc3)C2)cc1 287975714 ZRKVBEULSWESMY-OALUTQOASA-N 312.413 2.715 0 50 DFAA O=C1NCCCc2[nH]c(Cc3ccccc3C(F)(F)F)nc21 95376494 CUONONNASOPWTE-UHFFFAOYSA-N 309.291 2.695 0 50 DFAA Cc1ccc2[nH]c(CN(Cc3nccn3C)C3CC3)cc(=O)c2c1 91550871 KYJZMOHHHZCBOZ-UHFFFAOYSA-N 322.412 2.735 0 50 DFAA C[C@@H]1C[C@H](CCNc2ncnc3c2ncn3C2CC2)CCO1 292611018 CRDZKWOPXFXIHJ-VXGBXAGGSA-N 301.394 2.778 0 50 DFAA CN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H]1c1ccccc1 180143986 FWWQUEFQFBDWQC-PBHICJAKSA-N 311.385 2.727 0 50 DFAA COc1cc(C(=O)N2CCCN(C)c3ccccc32)sn1 625730179 FQJKXQFQQFMWFQ-UHFFFAOYSA-N 303.387 2.638 0 50 DFAA C[C@@H](NC(=O)c1ccccc1OC(F)(F)F)c1nccn1C 620605020 YFADMDXUGPLMOW-SECBINFHSA-N 313.279 2.810 0 50 DFAA Cc1nc(C)c(C(=O)NCC2CCN(CCC(C)C)CC2)[nH]1 621904706 YGSCFIQDBPIFJO-UHFFFAOYSA-N 306.454 2.514 0 50 DFAA CCn1cc(CNC(=O)c2ccc(-c3cn(C)nc3C)cc2)cn1 534670126 QORCHVKZHGZMEY-UHFFFAOYSA-N 323.400 2.542 0 50 DFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)C2CC=CC2)n1 670450273 JURXARAIBFCEDQ-JTQLQIEISA-N 315.339 2.929 0 50 DFAA CCC[C@]1(CO)CCN(Cc2c(F)ccc(C)c2F)C[C@H]1O 1529198871 NDWYJLHRQNLACC-NVXWUHKLSA-N 313.388 2.619 0 50 DFAA COc1ccnc(C(=O)Nc2ccccc2CN2CCCC2)c1 952988861 LTVCHTLTIWWCFV-UHFFFAOYSA-N 311.385 2.938 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 91302981 GNEASONALBKLGH-RDTXWAMCSA-N 316.401 2.527 0 50 DFAA in-vitro CC(C)(C)c1nc(N2CCC(O)(c3ccccc3)CC2)no1 302198968 GHASYEPPCDHLHY-UHFFFAOYSA-N 301.390 2.855 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]([C@H](C)N)C1 269288164 SZEOUXOALKKTTL-GUTXKFCHSA-N 308.397 2.569 0 50 DFAA Cc1noc(C(=O)N2CC(OCc3cccc4ccccc34)C2)n1 631377630 DGZFAEDUKXHISH-UHFFFAOYSA-N 323.352 2.572 0 50 DFAA COCc1nc2n(n1)C[C@H](N[C@H](C1CCCCC1)C1CC1)CC2 170074100 CEWRZEDVUQKRSX-CRAIPNDOSA-N 318.465 2.688 0 50 DFAA Cn1ccc2cccc(NC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)c21 190075235 YQONQLMAADQRGK-DLBZAZTESA-N 321.380 2.958 0 50 DFAA CSC[C@@H](C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 585091101 XWPABOORNCMMSN-SNVBAGLBSA-N 300.449 2.983 0 50 DFAA COC(=O)N(C)CCCC(=O)Nc1ccccc1-c1ncco1 585126197 RSMITJVSNKAACA-UHFFFAOYSA-N 317.345 2.759 0 50 DFAA Cn1cc(CC(=O)Nc2nc3c(Cl)cccc3s2)cn1 192175183 BVUWUFXDYLCRQX-UHFFFAOYSA-N 306.778 2.864 0 50 DFAA CC[C@@H](OC1CCCCC1)c1nc(CCN(C)C(C)=O)no1 1615001642 YHULZBPSVYOATP-CQSZACIVSA-N 309.410 2.891 0 50 DFAA CCCn1cc(CNC(=O)Cc2ccc(O)c(Cl)c2)cn1 1772710936 USOQWXQBBSSAJZ-UHFFFAOYSA-N 307.781 2.511 0 50 DFAA CC(C)c1nnc(N2CCC(c3ccn(C)c(=O)c3)CC2)s1 1772815329 PNHMKIWOVKTDIA-UHFFFAOYSA-N 318.446 2.744 0 50 DFAA Cc1c(C(=O)NC2CCCC2)nnn1-c1ccc(Cl)cc1 11690250 JIATXBXWQQMSHO-UHFFFAOYSA-N 304.781 2.902 0 50 DFAA CN(C)C1(C(=O)N[C@@H]2CCc3ccccc32)Cc2ccccc2C1 14948861 HQQLLXIHWLHNEP-LJQANCHMSA-N 320.436 2.889 0 50 DFAA C[C@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@H](C)O1 16580480 QGKJMFCOXHOIEM-WDSKDSINSA-N 309.234 2.632 0 50 DFAA Oc1cc(C(F)(F)F)nc(SCCO[C@@H]2CCCCO2)n1 408515822 DRBKPLXGSLVRFZ-SNVBAGLBSA-N 324.324 2.836 0 50 DFAA C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 1576312 CTXPLTPDOISPTE-YPMHNXCESA-N 309.362 2.570 0 50 DFAA biogenic,in-vitro Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CC(=O)N(C)C2)c1 442006840 WVDCSKWKGWVIRZ-AWEZNQCLSA-N 324.380 2.748 0 50 DFAA C[C@H](CS(C)(=O)=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 242305034 YUFGCFYAJWMEHO-PVAVHDDUSA-N 309.475 2.811 0 50 DFAA CNC(=O)COc1ccc(Oc2ncnc3ccsc23)cc1 342409023 OWHJUNQLBJONTI-UHFFFAOYSA-N 315.354 2.608 0 50 DFAA O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1cncc(C(=O)O)c1 902040573 PTSWLKMRMCELJS-RISCZKNCSA-N 310.300 2.934 0 50 DFAA COCc1n[nH]c(CNC(=O)c2c(C)ccc3cc(C)ccc23)n1 825033502 YDGVXZXWCXIBMC-UHFFFAOYSA-N 324.384 2.651 0 50 DFAA O=C(c1ccc(N2CCCCCC2)cc1)N1CC[C@](F)(CO)C1 935865729 AGHZPPYAKVOHDY-GOSISDBHSA-N 320.408 2.614 0 50 DFAA CSC[C@@H](C)C(=O)N1CC[C@@H](c2ccc3cccnc3n2)C1 863947749 DXYIWOQNVXOKKX-TZMCWYRMSA-N 315.442 2.945 0 50 DFAA O[C@@H](CN1CCCC[C@H]1c1ncccn1)c1ccccc1F 952880500 GHQNPOWQDCMTPV-HOTGVXAUSA-N 301.365 2.876 0 50 DFAA COC(=O)/C=C/CCNC(=O)CC1(n2cccc2)CCCCC1 1875314200 MHMKQNFSSMTTBJ-YCRREMRBSA-N 318.417 2.773 0 50 DFAA Cc1cc(NC(=O)[C@@](C)(N)COc2ccccc2)cc2n[nH]cc12 1875349534 AYCUTBYPGINYNL-SFHVURJKSA-N 324.384 2.606 0 50 DFAA c1cncc(Cn2cccc2-c2nnc([C@@H]3CCCOC3)o2)c1 886048082 LHGUFBZVSOXDFM-CQSZACIVSA-N 310.357 2.875 0 50 DFAA COc1c(Cl)cc(C(=O)N2CCC[C@@H]2CN)cc1Cl 237152201 NYMBOQUMHGHNBQ-SECBINFHSA-N 303.189 2.565 0 50 DFAA Cn1cc([C@@H](CNc2nccc3ccccc23)N2CCCC2)nn1 2325789425 PEIRRUOMXDEYHE-QGZVFWFLSA-N 322.416 2.612 0 50 DFAA Cn1[nH]c(=NC(=O)c2n[nH]cc2C2CCC2)cc1C1CCCC1 2325796574 ZFKORYVVXZEALJ-UHFFFAOYSA-N 313.405 2.743 0 50 DFAA NCc1ccoc1C(=O)N[C@H]1CCO[C@@H](c2cccc(F)c2)C1 2325799371 QSFNEKCAKCELCK-LSDHHAIUSA-N 318.348 2.528 0 50 DFAA Cc1[nH]c2ccccc2c1CCC(=O)N[C@@H]1CCC[C@@H](O)C1 2325807554 CDJNEQZILQTITR-ZIAGYGMSSA-N 300.402 2.829 0 50 DFAA CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)NC(=O)N1 126698 JHYDJXKIPADZBK-AWEZNQCLSA-N 306.337 2.797 0 50 DFAA CCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 194202 SWLRYCVMAYAAOJ-UHFFFAOYSA-N 309.369 2.692 0 50 DFAA COc1ccc([C@H](O)Cc2nc3ccccc3n2C)cc1OC 233970 SXSAUFAZKRXJSY-OAHLLOKOSA-N 312.369 2.867 0 50 DFAA CC[n+]1c(C)n(-c2ccccc2)c2ccc(C(=O)N(C)C)cc21 281277 CVLKPLWLRSGQJW-UHFFFAOYSA-N 308.405 2.948 0 50 DFAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 315951 CVJZDQTVUUBMMB-UHFFFAOYSA-N 324.380 2.720 0 50 DFAA CC(C)C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1 467851 RYKXVHQREKVMLT-UHFFFAOYSA-N 324.336 2.957 0 50 DFAA O=C(CCCOc1ccccc1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356163255 UZQSTVOPWNXINP-ZSHCYNCHSA-N 303.402 2.750 0 50 DFAA COc1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 6729007 AWNGXXSPFFXQBT-UHFFFAOYSA-N 300.314 2.746 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 7475117 VXIUAUUOZSBWPU-ZDUSSCGKSA-N 316.401 2.733 0 50 DFAA C[C@H]1Cc2cc(C(=O)O)ccc2N1S(=O)(=O)c1ccccc1 10324748 FRGQCDJSMGRZOY-NSHDSACASA-N 317.366 2.525 0 50 DFAA C[C@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1ncn[nH]1 55361130 DVMUNGJDPYIYGP-HELZOJIWSA-N 302.422 2.979 0 50 DFAA Cn1cncc1-c1nc2c(cnn2Cc2cccc(Cl)c2)[nH]1 20857935 ZVWVCMVWJDZYJK-UHFFFAOYSA-N 312.764 2.862 0 50 DFAA COc1cc(OC)c(OC)cc1CNC[C@H](O)c1ccccc1 20228051 VXKAYZXFNWEPQP-HNNXBMFYSA-N 317.385 2.536 0 50 DFAA CC(C)c1noc(CCNC(=O)Nc2ccc(Cl)nc2)n1 69029325 WKLFHGAUBDNMBG-UHFFFAOYSA-N 309.757 2.606 0 50 DFAA COc1cc(CN2CCCC2)ccc1O[C@@]12CCCN(CC1)C2 67514345 BPFIPCJWXGVIGO-IBGZPJMESA-N 316.445 2.908 0 50 DFAA Cc1ccc(F)cc1CC(=O)NCc1ccccc1-n1cncn1 67833756 ZRVWPKOBQUBSIJ-UHFFFAOYSA-N 324.359 2.574 0 50 DFAA C[C@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1 694 YJQZYXCXBBCEAQ-FZKQIMNGSA-N 301.386 2.742 0 50 DFAA biogenic,in-man Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)o1 192212 JAWHYTTVCSJYIM-UHFFFAOYSA-N 300.767 2.535 0 50 DFAA Cc1c[nH]ccc1=NC(=O)C1(c2cccc(Cl)c2)CC(=O)C1 354238902 IWNYUFMBFZYHPQ-UHFFFAOYSA-N 314.772 2.705 0 50 DFAA COc1cccc([C@@H](CC(=O)O)N2Cc3ccccc3C2=O)c1 2597313 UJSUOUOSPCOMNE-MRXNPFEDSA-N 311.337 2.867 0 50 DFAA Cc1c(Br)c(C(=O)N[C@H]2CCCC[C@H]2C)nn1C 2780849 MRPWRDQJDWMOJO-SCZZXKLOSA-N 314.227 2.800 0 50 DFAA CCc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)on1 216319358 BDCCXDBDVDFSMS-UHFFFAOYSA-N 302.359 2.514 0 50 DFAA Cc1c[nH]nc1CN1C[C@H](CCN2CCCC2=O)c2ccccc21 375080497 LIHGFUZTUBPCTL-HNNXBMFYSA-N 324.428 2.834 0 50 DFAA O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccnc(O)c1 280511078 IJEWMTUIBFQRLC-SWLSCSKDSA-N 300.333 2.992 0 50 DFAA CC(C)CCOc1ccccc1CCNC(=O)[C@H]1CC[C@@H](N)C1 215044419 SKAOQHVBHCEUAO-DLBZAZTESA-N 318.461 2.898 0 50 DFAA O=C1CCC2(CCN(C[C@H]3CCCCO3)CC2)CN1C1CCC1 219575064 GHQGXBBLIQQVDX-QGZVFWFLSA-N 320.477 2.813 0 50 DFAA COc1cccc(C(=O)N2CCC3(CCNCC3)CC2)c1C 71730604 UWDZOMQLDYKNIN-UHFFFAOYSA-N 302.418 2.609 0 50 DFAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@H]1CCn2ccnc2C1 332983462 RMQSFXLSIGHBIO-XUWXXGDYSA-N 324.428 2.821 0 50 DFAA CCN(Cc1cc(C(C)(C)C)n[nH]1)C[C@H](O)c1cccc(O)c1 216379295 MCUBQNFCICSKKQ-INIZCTEOSA-N 317.433 2.968 0 50 DFAA CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@H](C(=O)O)C1 236898814 VGRHCYZBRWEKKK-STQMWFEESA-N 305.374 2.512 0 50 DFAA CN(C(=O)c1ccc2nn[nH]c2n1)[C@H]1CCC[C@@H]1C(C)(C)C 333176844 OVWINAKPUBUMFD-GWCFXTLKSA-N 301.394 2.640 0 50 DFAA CC1(C)C(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)C1(C)C 333992886 LHOAROXQCGNDHE-HIFRSBDPSA-N 314.429 2.805 0 50 DFAA Cc1ccc([C@H](C)NCc2cnc(N3CCOCC3)s2)o1 237612620 LMZIXZFBGVLOJN-LBPRGKRZSA-N 307.419 2.732 0 50 DFAA CC(C)n1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)cn1 223135140 APPRWEVULASKAT-UHFFFAOYSA-N 322.416 2.948 0 50 DFAA Cc1cc(C)nc(CCNC(=O)CCCOc2ccccc2)n1 220542338 VCDNKXHVWMJIDI-UHFFFAOYSA-N 313.401 2.611 0 50 DFAA CN(C)c1cc(C(=O)O[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccn1 241897124 TVUIDSIKXUTVNL-NUEKZKHPSA-N 316.401 2.652 0 50 DFAA Cc1cc(NC[C@H]2CC(=O)N(CCc3ccccc3)C2)ccn1 242302451 YSSDIXOTHMURFI-QGZVFWFLSA-N 309.413 2.893 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2c2ccnc3ccncc23)c1 283679859 ZCQMERQITWOGJD-KUHUBIRLSA-N 321.380 2.951 0 50 DFAA O=C1CCCN1CC[C@@H]1CN(C(=O)c2cc[nH]c2)c2ccccc21 176397721 PKKUVMHKHWBXOJ-OAHLLOKOSA-N 323.396 2.771 0 50 DFAA C[C@@H](CCC(=O)NCCOc1ccccc1F)N1CCCC1 426581069 ZCAGNFZINDHVRH-AWEZNQCLSA-N 308.397 2.585 0 50 DFAA O=C(Cc1ccsc1)NC[C@H]1CCN(Cc2ccccc2)C1 193778995 UIBGPKZBWCSOBB-QGZVFWFLSA-N 314.454 2.929 0 50 DFAA CCc1ccc([C@@H]2CN(C(=O)C3(COC)CCC3)CCO2)cc1 284680959 NDQNTVKDBFIOAP-KRWDZBQOSA-N 317.429 2.966 0 50 DFAA O=C(c1ccnc(-c2cc3ccccc3o2)c1)N1CCOCC1 426374103 AGSJBNPCQZBJME-UHFFFAOYSA-N 308.337 2.967 0 50 DFAA CN(Cc1nc(C2CC2)no1)C(=O)NCCC1=CCCCC1 426517830 LKURLMYLQNKLIF-UHFFFAOYSA-N 304.394 2.979 0 50 DFAA CSCc1nc(CCNc2ncnc3onc(C)c23)cs1 95356972 GHMUPSQEKWRUAL-UHFFFAOYSA-N 321.431 2.900 0 50 DFAA Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CCOC(C)(C)C3)CC2)n1 97301479 BOWUEZMIXFLTCU-OAHLLOKOSA-N 319.449 2.602 0 50 DFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 239403228 RQOHHXHILZMNLH-HOCLYGCPSA-N 322.474 2.669 0 50 DFAA C[C@H](NC(=O)N1CC(=O)N(C)c2ccccc2C1)c1ccccc1 623174837 IDASVSWADVZAMX-AWEZNQCLSA-N 323.396 2.936 0 50 DFAA CNc1cc(C(=O)N[C@@H](CCN(C)C)c2ccccc2)ccn1 534650439 OFQPSFIVZCVSLK-INIZCTEOSA-N 312.417 2.546 0 50 DFAA O=C(O)c1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 263443991 XIPJKPKJOBMVRZ-LJQANCHMSA-N 311.381 2.699 0 50 DFAA Cc1noc(C)c1CC(=O)NC[C@H]1CCOc2ccccc2C1 299772026 XYLPBNUZPZNHFU-AWEZNQCLSA-N 314.385 2.592 0 50 DFAA CSc1ccc(C(=O)N2CC[C@H](c3nc(C)no3)C2)cc1 299797152 MNAYKPPKGYLPRA-LBPRGKRZSA-N 303.387 2.730 0 50 DFAA Cc1nnc(-c2cccc(NC(=O)N[C@@H](C)C(F)(F)F)c2)[nH]1 299777312 MSOVGAFBYYQUEO-ZETCQYMHSA-N 313.283 2.852 0 50 DFAA CC(C)c1nnc([C@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)o1 299762900 WMHVYSCWYNAAPT-VIFPVBQESA-N 323.780 2.972 0 50 DFAA COCC1(Cn2cnc3ccc(OC)cc3c2=O)CCCC1 584897891 INJVOFZBJTVCRM-UHFFFAOYSA-N 302.374 2.612 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCN(CC2CCC2)CC1 584896650 MBSPGTUUWQWPTQ-UHFFFAOYSA-N 322.836 2.532 0 50 DFAA Cc1ccc(OCCN(C)C(=O)NC[C@@H]2CCCOC2)c(C)c1 670439332 HRFDWUOJFFSKOF-INIZCTEOSA-N 320.433 2.750 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2scnc2C)c1C 952966506 WWTJTPKGRJEQDP-UHFFFAOYSA-N 302.359 2.903 0 50 DFAA CCCNC(=O)c1ccc(C)c(NC(=O)c2ccncc2F)c1 952969799 HCBRHAFTCKRUIX-UHFFFAOYSA-N 315.348 2.921 0 50 DFAA c1ccc(CN2CC[C@H](NCCc3nc4ccccc4[nH]3)C2)cc1 67491002 PCVKHADUJUIQHA-KRWDZBQOSA-N 320.440 2.970 0 50 DFAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1ccncc1 952979805 ORBJNVQGZTZZAJ-UHFFFAOYSA-N 310.313 2.701 0 50 DFAA C[C@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@]1(O)C1CCC1 1565529660 NAMWDQICHSTBBX-ORAYPTAESA-N 314.429 2.584 0 50 DFAA CSCCCN1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565509801 UILFNARRAAAPLT-SJORKVTESA-N 305.491 2.731 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2csc3ccccc23)n1 275239897 FCRFJXLWFMRWHC-TZMCWYRMSA-N 315.398 2.901 0 50 DFAA COCc1nc(C)cc(N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 585092734 LRIFRLPEPDWHJQ-XHSDSOJGSA-N 319.449 2.841 0 50 DFAA C[Si](C)(C)CNc1ccc(C(=O)N2CCC(CO)CC2)cc1 170652834 BNBFLNCMDMNBLH-UHFFFAOYSA-N 320.509 2.820 0 50 DFAA Cc1nn(C)cc1NC(=O)NCCc1nc(C(C)(C)C)cs1 189694634 ZSMPJRCNODRFNL-UHFFFAOYSA-N 321.450 2.847 0 50 DFAA CC(C)(C)n1cc(CN2CCC(O)(c3ccccc3)CC2)nn1 191501228 JLHGCDLDZGXOEN-UHFFFAOYSA-N 314.433 2.517 0 50 DFAA COC(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 16602736 WRYNUDJCCTVQGJ-UHFFFAOYSA-N 303.189 2.877 0 50 DFAA C[C@@H]1CCn2ncc(C(=O)N3CCOCc4ccccc43)c2C1 648376398 AWBPXUMAUNZQNN-CYBMUJFWSA-N 311.385 2.642 0 50 DFAA CC(C)OC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 653554527 IQILQOLXOHQWHN-LJQANCHMSA-N 318.461 2.781 0 50 DFAA Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1CC12CCOCC2 674014625 DFLYBLOOJDGCCW-HNNXBMFYSA-N 311.385 2.936 0 50 DFAA CC[C@H](OC)C(=O)Nc1nnc(Cc2cccc(C)c2)s1 1506402618 PZJHNFPTQAUJBE-LBPRGKRZSA-N 305.403 2.801 0 50 DFAA Cc1nn(C)cc1C(=O)Nc1ccnn1[C@H](C)c1ccccc1 1529120622 FVVMCFKURJZVOP-CYBMUJFWSA-N 309.373 2.787 0 50 DFAA COc1ccc(C)cc1[C@H](C(=O)O)N(C)CCN1CCCCC1 1529158615 GIJHXXNLNFRYAK-QGZVFWFLSA-N 320.433 2.547 0 50 DFAA Cc1noc(C)c1[C@@H](C)NC(=O)c1ncccc1Br 225409316 XAURQKLPGGVRID-SSDOTTSWSA-N 324.178 2.940 0 50 DFAA COc1nc(N[C@@H](CCN(C)C)c2ccccc2)ncc1F 1772702530 TUENQLWBUUEKQN-AWEZNQCLSA-N 304.369 2.729 0 50 DFAA Cc1ccccc1OCC(=O)NCCSc1ccccn1 13282166 XOLXGCQGMLXIEB-UHFFFAOYSA-N 302.399 2.677 0 50 DFAA CC(C)=CCN1CCN(Cc2ccc(C)s2)C[C@@H]1CCO 19225016 DXQVBGIYPIMOMI-INIZCTEOSA-N 308.491 2.891 0 50 DFAA O=C(Cn1ccnc1-c1ccc2ncccc2c1)N1CCCC1 1857683886 PWAWGLFPJMDMCX-UHFFFAOYSA-N 306.369 2.721 0 50 DFAA CCN1CC[C@H](n2ccnc2-c2cccc(OC)c2OC)C1 1857727760 YXLMSHKGSKSMPS-ZDUSSCGKSA-N 301.390 2.834 0 50 DFAA Cc1ccccc1-n1ncc(C(=O)N2CC[C@H]2C(F)F)c1C 633230255 LCFTXIZNXJQCKE-AWEZNQCLSA-N 305.328 2.969 0 50 DFAA Cn1nc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1C1CC1 332858341 FJFRQQKEIYUQLF-MRVWCRGKSA-N 302.422 3.388 0 50 DFAA NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccccc2F)o1 237796333 QBJIUEXARJWYSR-RISCZKNCSA-N 302.349 2.943 0 50 DFAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1 10233827 NMJLDXZRRCQUET-UHFFFAOYSA-N 308.403 2.951 0 50 DFAA COc1cccc(-c2noc(-c3cccc4nc(O)[nH]c34)n2)c1 904604129 FIUAYQWSLDRCHU-UHFFFAOYSA-N 308.297 2.994 0 50 DFAA CCn1nc(C2CC2)cc1C(=O)N1CCOc2nc(C)ccc21 907222108 VTJYCPMNDBDNRM-UHFFFAOYSA-N 312.373 2.523 0 50 DFAA Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1ncc(C(=O)O)s1 856993104 KHITUOJRKOHISI-MRVPVSSYSA-N 323.374 2.752 0 50 DFAA CN(C)c1ccc(F)cc1CNCC1(O)Cc2ccccc2C1 865471091 OVZAIDLBVXKQEG-UHFFFAOYSA-N 314.404 2.511 0 50 DFAA c1ccc(-c2cnc(-n3ccnc3)nc2)c(OC[C@@H]2CCOC2)c1 952878528 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CCOCCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95385891 KCJAHOAOMUVACF-MRXNPFEDSA-N 319.449 2.816 0 50 DFAA Cn1c(-c2ccc(F)cc2)cn(CC(=O)c2ccccc2)c1=N 334157597 QUCKFXJRUSZMCG-UHFFFAOYSA-N 309.344 2.995 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 245226692 IPDBSUZSHWFZDN-YXMPFFBPSA-N 324.163 2.826 0 50 DFAA Cc1cnc(CN(Cc2c(C)nn(C)c2C)C2CC2)c(C)c1O 253536497 GZROXBCVWPLJNJ-UHFFFAOYSA-N 314.433 2.919 0 50 DFAA Cc1cc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3n2C)c(O)n1 252506339 VZRAJKIJQUHQQX-LBPRGKRZSA-N 324.384 2.782 0 50 DFAA COCc1noc(CN2CCCN(C)c3ccc(Cl)cc32)n1 182678040 UVXNEUYIAJETQD-UHFFFAOYSA-N 322.796 2.716 0 50 DFAA CC(C)c1nc(CCNC(=O)CCCn2ccnc2)cs1 299765531 HWQRGHIKHZYVQQ-UHFFFAOYSA-N 306.435 2.602 0 50 DFAA Cc1ncn(C)c1C(=O)NC[C@@H]1CCCN(C2CCCCC2)C1 299760969 QGIZZXCTYHJUAG-HNNXBMFYSA-N 318.465 2.503 0 50 DFAA Cc1nc(C)c(CC(=O)NCCc2nc3ccccc3o2)s1 670435267 CYZCAVIIXPVTEV-UHFFFAOYSA-N 315.398 2.803 0 50 DFAA Cn1ccnc1C(=O)NCC1(c2ccc(F)cc2)CCCC1 741263254 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Cc1nc(CC(=N)NO[C@H]2CCCc3cccnc32)cs1 1615055818 QCXSOASTUDEGCX-ZDUSSCGKSA-N 302.403 2.965 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C(=O)N(Cc2c(F)cccc2F)C2CC2)C1 1615629705 HQWUYYBJAAWEEZ-MNOVXSKESA-N 323.339 2.957 0 50 DFAA COc1ccc2c(c1)OC(C)(C)CN(Cc1cn(C)cn1)C2 1616045109 ZHOFUPXNSVCDAC-UHFFFAOYSA-N 301.390 2.602 0 50 DFAA CC(C)CCN[C@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036599 YXUDQUIQBFYENF-WMLDXEAASA-N 312.454 2.791 0 50 DFAA CCN1C[C@H](Nc2cc(C)nc3c(F)cc(F)cc23)CC1=O 1506420693 PRAXOYKQDHDMRQ-LLVKDONJSA-N 305.328 2.854 0 50 DFAA c1ccc([C@@H]2CN(Cc3cc(-c4cccnc4)no3)CCN2)cc1 1506400166 UUNCATKJMWOXTD-IBGZPJMESA-N 320.396 2.883 0 50 DFAA Cc1nc(-c2cccnc2)ncc1C(=O)Nc1cnn(C(C)C)c1 1506407410 NWGSNPAUFBHMNB-UHFFFAOYSA-N 322.372 2.877 0 50 DFAA Cc1cccc([C@@H](C(=O)O)N2CCN(CC3CCCC3)CC2)c1 1506414333 YCTABMSPELMQQA-SFHVURJKSA-N 316.445 2.929 0 50 DFAA O=C(O)c1c(NCC2CCOCC2)noc1-c1ccccc1 1704312722 XMWIRUWDNAZCRC-UHFFFAOYSA-N 302.330 2.878 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@@H]21 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Cc1cnnc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1C 2356133937 OAGGUTFCRREBQV-INIZCTEOSA-N 311.385 2.669 0 50 DFAA CCn1c(SCc2csc(N)n2)nnc1-c1ccco1 4865897 IMHFXZABYJVCGH-UHFFFAOYSA-N 307.404 2.889 0 50 DFAA COc1ccc(OC)c(NC(=O)N[C@H](C)c2ccncc2)c1 6698966 UPYMFMZJUWMANF-LLVKDONJSA-N 301.346 2.982 0 50 DFAA CC(C)N1CN(C[C@@H]2CCCO2)c2nc3ccccc3n2C1 9262125 LPSHCAILUVKNSV-AWEZNQCLSA-N 300.406 2.661 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cn3ccccc3n2)c1 225728880 KAPIVUUDACDPIY-SJLPKXTDSA-N 323.396 2.651 0 50 DFAA Cc1cccc(Cn2ncc(C)c2NC(=O)c2cc(C)n[nH]2)c1 55414098 AODTZBJVTQRZQY-UHFFFAOYSA-N 309.373 2.832 0 50 DFAA CC[C@@H](CO)N(Cc1ccco1)Cc1c(C)nn(C)c1Cl 55196604 VKFVXQATGAYWFX-LBPRGKRZSA-N 311.813 2.748 0 50 DFAA C[C@H](CNC(=O)CC12CC3CC(CC(C3)C1)C2)n1cncn1 55036838 VAUJBTXRIYIADJ-JISDDCRVSA-N 302.422 2.562 0 50 DFAA C[C@@H]1CC(=O)c2cc(C(=O)NC3CCCCCC3)c(=O)[nH]c2C1 67631029 YDECEQLQIXLQMR-NSHDSACASA-N 316.401 2.593 0 50 DFAA Cc1cccc(NC[C@@H]2CCN(Cc3nn(C)cc3Cl)C2)n1 420910114 DRJCKPHPWQJCAD-ZDUSSCGKSA-N 319.840 2.711 0 50 DFAA COc1cc2c(cc1O)NC(=O)C[C@@H]2c1c(C)nn(C)c1Cl 65374345 IQCUBRCLKKNOBC-VIFPVBQESA-N 321.764 2.570 0 50 DFAA COc1c(F)cc(NC(=O)N[C@@H](CO)CC(C)C)cc1F 117447426 BGASVWGAWSVTLU-SNVBAGLBSA-N 302.321 2.502 0 50 DFAA CSc1cccc(CN(C)Cc2c(CO)cnc(C)c2O)c1 67908961 IUKZWMUFQISHFK-UHFFFAOYSA-N 318.442 2.942 0 50 DFAA CCc1cc(C(=O)NCc2nnc(S)n2C2CC2)oc1CC 122732329 BBFQEHGBSSQMKC-UHFFFAOYSA-N 320.418 2.550 0 50 DFAA O=C(c1ccc(CO)o1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71575184 MQKZWWMNZSYMFS-HNNXBMFYSA-N 321.760 2.639 0 50 DFAA Cc1ncsc1CCN(C)CCn1c(=O)oc2ccccc21 215852917 VHZWPEILVVBEFN-UHFFFAOYSA-N 317.414 2.534 0 50 DFAA CC(C)OCCCN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328632205 LDORXUZVXWVNKG-ROUUACIJSA-N 305.466 2.821 0 50 DFAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC(c2nnc3ccccn23)CC1 329189929 PWHDSHUCSWPEHU-CWRNSKLLSA-N 322.412 2.648 0 50 DFAA CC1=CCN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)CC1 329161138 FDZNXINHSNHCSU-UHFFFAOYSA-N 300.337 2.507 0 50 DFAA C[C@H](Oc1ccccc1)c1noc(-c2ccc3nnc(O)n3c2)n1 356922790 WGDOGLQUUOWNCH-JTQLQIEISA-N 323.312 2.625 0 50 DFAA C[C@@H](CS(=O)(=O)NC(=O)C[C@H]1C=CCC1)c1ccccc1 129924636 KYWZQZRHXDJOGC-KBPBESRZSA-N 307.415 2.592 0 50 DFAA FC(F)(F)CN(Cc1nccs1)[C@H]1CC12CCNCC2 261657708 ASAXNXVZWXYSHX-JTQLQIEISA-N 305.369 2.650 0 50 DFAA Cc1cccc(CC2(O)CCN(C(=O)c3cncc(C)c3)CC2)c1 332092623 AGAGTJLCWQOXSX-UHFFFAOYSA-N 324.424 2.908 0 50 DFAA NCC1(O)CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 332379116 FWDAVKBRLGRFIH-UHFFFAOYSA-N 316.445 2.660 0 50 DFAA COc1cc(Cl)cc(CN2CCCC2)c1O[C@@H](C)C(=O)O 215864316 AZHOCOYGMWYKOK-JTQLQIEISA-N 313.781 2.796 0 50 DFAA CN(C)c1ncc2c(n1)CCC[C@H]2NC1Cc2ccccc2C1 39360369 KVWNTLBUBAQRCI-QGZVFWFLSA-N 308.429 2.677 0 50 DFAA c1ccc2c(c1)CC(n1ccnc1-c1cc3n(n1)CCCNC3)C2 72409382 SLHHQKMDMYZMIZ-UHFFFAOYSA-N 319.412 2.580 0 50 DFAA CSC1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 602919875 NUOHFYFXJMAOHH-UHFFFAOYSA-N 310.438 2.578 0 50 DFAA O=C1CCC[C@H](C(=O)Nc2ccc(Cl)cc2OC(F)F)N1 337870233 ULCYQXLWNWYORN-SECBINFHSA-N 318.707 2.549 0 50 DFAA O=C(O)c1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 263560706 BQETVAPRTIQMAC-SJLPKXTDSA-N 314.429 2.834 0 50 DFAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](N2CCCC2)C1 175528628 RREFYEUVUCDCDZ-GOEBONIOSA-N 320.408 2.680 0 50 DFAA O=C(c1cnn2ccccc12)N1CCCC[C@H]1CCn1cccn1 82161727 VWKDSXRHTRAHSQ-HNNXBMFYSA-N 323.400 2.616 0 50 DFAA CCn1nc(-c2cccc(OC(F)(F)F)c2)nc1N(C)C 426599611 NMVXGUVVOPRTRH-UHFFFAOYSA-N 300.284 2.930 0 50 DFAA O=C(c1cncc(F)c1)N1CCCC[C@H]1CCn1cccn1 223241176 LFHQLQOKCMDFAN-HNNXBMFYSA-N 302.353 2.502 0 50 DFAA CCCn1ncc(C(=O)NC[C@H](O)c2ccccc2Cl)c1C 91411896 FVTOIEFNNLAXRL-HNNXBMFYSA-N 321.808 2.718 0 50 DFAA CC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cnn(C)c1 91966352 SGJRKBFWWDBVHC-HNNXBMFYSA-N 314.364 2.642 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CCC(=O)N(Cc2ccccc2)C1 238191157 WDKUPFVXIPFGSD-AWEZNQCLSA-N 304.390 2.702 0 50 DFAA COc1cc(F)c([C@H](C)N[C@H](C)c2nccn2C)cc1OC 182967885 FJTYFEFLQPQHHP-WDEREUQCSA-N 307.369 2.988 0 50 DFAA O=C(NCCN1CCc2ccccc2C1)[C@H]1CCc2ccccc21 352754799 JWSXOPRWZHDPFS-FQEVSTJZSA-N 320.436 2.891 0 50 DFAA O=C(NCc1csc(Cc2ccccc2)n1)[C@@H]1CCCCO1 299772481 ZCQYTWVHAOJODY-HNNXBMFYSA-N 316.426 2.919 0 50 DFAA Cc1cnc(-n2ncc(C(=O)O)c2C)nc1-c1ccc(F)cc1 299790758 BWQPSRZCKQRLAN-UHFFFAOYSA-N 312.304 2.783 0 50 DFAA CC(C)(C)c1cc2c(O)nc(-c3ncc(O)cn3)nc2s1 585137381 WFGYAHKDQZZLLT-UHFFFAOYSA-N 302.359 2.857 0 50 DFAA Cc1n[nH]c(C)c1CCCn1cnc2c(F)cccc2c1=O 584899873 KMDRLQCAHLCORV-UHFFFAOYSA-N 300.337 2.508 0 50 DFAA CCc1nc([C@H](C)Oc2ccc(Cl)cc2C)n(CCO)n1 670454936 WNVYDKBSYFZMFR-NSHDSACASA-N 309.797 2.935 0 50 DFAA Cc1ccccc1OCCC(=O)N(C)CCC1(O)CCCC1 584896950 NJEQTSGQWCHFPH-UHFFFAOYSA-N 305.418 2.918 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2cccc(O)c2)c1C 952974146 SUNXDJLWIFYNDD-UHFFFAOYSA-N 300.358 2.812 0 50 DFAA C[C@](CO)(NC(=O)c1cc[nH]c1)c1cccc(C(F)(F)F)c1 585112981 PZSHTEQHNCPPDY-CQSZACIVSA-N 312.291 2.671 0 50 DFAA CC[C@@H](C)C(=O)NCCc1ccnc(NC(=O)[C@H](C)CC)c1 585131430 VVGDYTMUNUTNKE-CHWSQXEVSA-N 305.422 2.771 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)c2cccc(F)c2)CCO1 271330025 ZOEVTTOCCAJDBF-DOMZBBRYSA-N 308.397 2.970 0 50 DFAA CN1C(=O)CCc2cc(CNc3cccc4c3OCCO4)ccc21 187153955 RCBNZRFFHRYRMW-UHFFFAOYSA-N 324.380 2.979 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccncc1Br 277377003 CHOQKUPNYPLRTP-JOYOIKCWSA-N 313.195 2.988 0 50 DFAA CCc1occc1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643887758 YDDBYBOCIRGXDV-CQSZACIVSA-N 314.389 2.675 0 50 DFAA CC(C)c1cc(NC(=O)Nc2ccccc2S(C)(=O)=O)[nH]n1 192209132 ZIHZHCKAFOXWPU-UHFFFAOYSA-N 322.390 2.581 0 50 DFAA CSc1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)cc1 195543331 CCIBPNBLLHTZSL-GOOCMWNKSA-N 304.459 2.945 0 50 DFAA O=C(c1ccccc1Oc1cccnc1)N1[C@H]2CC[C@H]1COC2 655302960 YOQLGZGFUCNRGD-KBPBESRZSA-N 310.353 2.877 0 50 DFAA CC(C)n1ccnc1C(=O)N1CCN(c2ccccc2)C[C@@H]1C 1616037136 FRHIFQUAXXLVHT-HNNXBMFYSA-N 312.417 2.815 0 50 DFAA CCc1cc(NCc2noc(C3CC3)n2)nc(N2CCCC2)n1 1506428513 PEPLRAFTDVWNEN-UHFFFAOYSA-N 314.393 2.512 0 50 DFAA CCCC(=O)c1cn(CC(=O)Nc2nccn2C)c2ccccc12 1529160079 XYNBNEXBYZRQPL-UHFFFAOYSA-N 324.384 2.996 0 50 DFAA Cn1ccc(CCNc2ncc(Br)cc2Cl)n1 236093034 NHMWIVZXWHKOSZ-UHFFFAOYSA-N 315.602 2.886 0 50 DFAA Cc1nsnc1C(=O)N1CCC2(CCc3ccccc32)CC1 1775982783 SISNFMKRJYROCW-UHFFFAOYSA-N 313.426 2.967 0 50 DFAA CC(C)/C=C/C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 12149886 RLHULZSOAMODLX-KIUWMYQTSA-N 323.396 2.776 0 50 DFAA CC(C)(C)CN1C[C@@H](NC(=O)CSc2ccccc2)CC1=O 12314089 GOTKNHGUECQWDZ-ZDUSSCGKSA-N 320.458 2.542 0 50 DFAA Cc1c(C)n(Cc2ccco2)c2ncnc(SCC(=O)O)c12 16622985 QTWPOJSFJYFTRT-UHFFFAOYSA-N 317.370 2.866 0 50 DFAA OCC[C@H]1CN(Cc2cccc(F)c2F)CCN1C1CCCC1 19842126 QTUNXCLSNCQLLM-INIZCTEOSA-N 324.415 2.776 0 50 DFAA CC[C@@]1(CO)CCCN1C(=O)Nc1ccc(C(C)(C)C)nn1 225490162 WCVAUJXUZYAOMQ-INIZCTEOSA-N 306.410 2.543 0 50 DFAA CCn1cnnc1[C@H]1CN(Cc2cc3ccccc3o2)CCO1 328625150 CUNHZFGNYGHXPX-MRXNPFEDSA-N 312.373 2.618 0 50 DFAA O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@@H](CO)CC1 333545774 SWKQFFBGCPWCRO-CYBMUJFWSA-N 303.406 2.587 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 238049875 GPFOZPRZTCZCDH-CYBMUJFWSA-N 306.749 2.901 0 50 DFAA O=C(c1ccoc1Cl)N1CCC[C@H](N2CCCCC2=O)C1 373008608 NKWDZMYQXIZVPB-NSHDSACASA-N 310.781 2.550 0 50 DFAA O=C(NCC1(C2CC2)CCC1)N1CCO[C@@H](c2ccco2)C1 162856570 WENYJESKKJOSKZ-OAHLLOKOSA-N 304.390 2.943 0 50 DFAA C[C@@H](N)C1CCN(C(=O)c2ccc(F)c(C(F)F)c2)CC1 911754246 TUOALFWRPUPPJP-SECBINFHSA-N 300.324 2.963 0 50 DFAA Cc1cncc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 902545121 QYPKBDXWBZNJPA-IPYPFGDCSA-N 302.374 2.554 0 50 DFAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC(C)(C)c1ncon1 952995613 RRRFZTLWYZSPQC-HZSPNIEDSA-N 323.437 2.898 0 50 DFAA Cc1ccc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)o1 952991772 DYCAIBXJVBAOEU-UHFFFAOYSA-N 304.350 2.597 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CCc3sccc3[C@@H]2C)CC1 1875365799 HMTCCFKKNYJEJQ-LBPRGKRZSA-N 318.442 2.618 0 50 DFAA CCc1nnc(CN(C)C[C@H]2CCN(Cc3ccccc3)C2)o1 76109938 YOLOXRCRPRJESZ-MRXNPFEDSA-N 314.433 2.586 0 50 DFAA c1ccc2c(c1)nc1n2CN(Cc2ccc3c(c2)OCO3)CN1 1432836 MYYGAAPIGHKPGV-UHFFFAOYSA-N 308.341 2.608 0 50 DFAA C[C@@]1(O)N(Cc2ccccn2)C(=O)O[C@]1(C)Cc1ccccc1 1421486 RWFGFBQNXTZVIS-MSOLQXFVSA-N 312.369 2.744 0 50 DFAA N=c1[nH]c(=N[C@H]2CC[C@H](C(F)(F)F)CC2)[nH]c2ccccc12 2325758242 XPQOKYMJRAWNEJ-MGCOHNPYSA-N 310.323 2.997 0 50 DFAA c1ccc2c(CN3CCC[C@@H](NC4CCOCC4)C3)c[nH]c2c1 2325788424 DZGAUGCBPTWIMY-QGZVFWFLSA-N 313.445 2.901 0 50 DFAA NCC1CC(CC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2F)C1 2325797684 MQISKDWXPRLJGB-SEEARECTSA-N 322.399 2.873 0 50 DFAA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C)cc2)NC(=O)N1 132105 RWMNPEHDTWHWFU-OAHLLOKOSA-N 302.374 2.822 0 50 DFAA COc1ccc(CNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 215236 XNVMDMWGPLQKOE-JKSUJKDBSA-N 317.385 2.759 0 50 DFAA aggregator O=C(NCCc1ccc(F)cc1)c1cc2ccccc2oc1=O 1052381 JZFLJPQMHIMSPG-UHFFFAOYSA-N 311.312 2.905 0 50 DFAA CCc1nc(O)ccc1C(=O)NCc1ccc2c(c1)CCCO2 2356152544 OTYSWVYUIBMHBU-UHFFFAOYSA-N 312.369 2.605 0 50 DFAA Cc1nn2c3ccccc3n(Cc3ccccc3F)c2nc1=O 4857303 SPTVKXSWSVGATK-UHFFFAOYSA-N 308.316 2.540 0 50 DFAA CCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)cc1 8261760 MRICHWIJLYOVCL-GDBMZVCRSA-N 314.429 2.860 0 50 DFAA CC(C)Oc1cccc(CN(C)C(=O)[C@@H](C)c2ccnn2C)c1 421503049 YITZZVPBLKWLSD-AWEZNQCLSA-N 315.417 2.969 0 50 DFAA CCc1ccc(OCCN(C)C(=O)c2sc(N)nc2C)cc1 55309460 RLBZSHUQSFIZGB-UHFFFAOYSA-N 319.430 2.747 0 50 DFAA CCN(C)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 114835250 LLQTYYMNGNUHHI-UHFFFAOYSA-N 308.769 2.594 0 50 DFAA O=C(Nc1ccc(F)cc1)c1cccc(CN2CCOCC2)c1 20456630 LANAFTCPOWGOOR-UHFFFAOYSA-N 314.360 2.910 0 50 DFAA NC(=O)[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1 347301184 LKWGQLUBSCHLBD-HNNXBMFYSA-N 308.341 2.516 0 50 DFAA COc1ccccc1-n1nc(CC(C)C)nc1[C@@H]1CCOC1 65499593 DOXKDTQIEYJAER-CYBMUJFWSA-N 301.390 2.978 0 50 DFAA COC[C@H]1CCCCN1Cc1cc2ccc(C)cc2[nH]c1=O 67956381 WPIBELKFJHIQCT-MRXNPFEDSA-N 300.402 2.837 0 50 DFAA COc1ccc(-c2cnnc(NC[C@@H]3CCCCO3)n2)cc1F 12314574 MMFIGRPPCDNYNN-LBPRGKRZSA-N 318.352 2.667 0 50 DFAA Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C 411066 GHLQPQZHBDJIPC-UHFFFAOYSA-N 302.403 2.732 0 50 DFAA O=C(CCCOCc1ccccc1)N[C@H]1CCN2CCCC[C@@H]12 229237364 QHCQSONDWYODCQ-ROUUACIJSA-N 316.445 2.726 0 50 DFAA C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cn2ccnc2)o1 71752773 LGZHFSBQULODTG-ZDUSSCGKSA-N 310.357 2.753 0 50 DFAA CCc1cc(N2CCn3c(C(C)C)nnc3[C@@H]2C)nc(C)n1 253425329 CNNCBJNUOYRMKU-NSHDSACASA-N 300.410 2.644 0 50 DFAA Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3c(c1)ncn3C)CO2 154508465 XPBIURFFENBTQH-HNNXBMFYSA-N 307.353 2.745 0 50 DFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H]1CCCO1 154551026 JKEFBQSMNWUCDO-LBPRGKRZSA-N 319.792 2.743 0 50 DFAA CC(C)[C@H]1C[C@@H](CC(=O)NCc2cccnc2N(C)C)CCO1 330789208 RTBVOMCNRWDECA-GOEBONIOSA-N 319.449 2.605 0 50 DFAA CCc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1 13324741 QJBJIHMXBIZFCE-UHFFFAOYSA-N 324.428 2.994 0 50 DFAA COc1ccc(Cc2noc([C@H]3CC[C@@H](C)O3)n2)cc1OC 129281537 YTPOJUKWUKZYLI-ZWNOBZJWSA-N 304.346 2.918 0 50 DFAA COc1ccc2ccccc2c1CNC(=O)N1CC[C@](C)(O)C1 242100082 WEFPDYHENYCYAW-SFHVURJKSA-N 314.385 2.515 0 50 DFAA C[C@@H]1OCCC[C@H]1C(=O)Nc1c[nH]nc1-c1ccccc1F 283769630 LONVQNFWKZZKOH-WDEREUQCSA-N 303.337 2.969 0 50 DFAA O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccc(C2CCC2)cc1 263312465 XWCNNHMWOUBXTK-CVEARBPZSA-N 317.385 2.564 0 50 DFAA NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 174627672 RCZZLIDCMYZROG-HNAYVOBHSA-N 306.365 2.628 0 50 DFAA Cc1n[nH]c(C)c1CCCNC(=O)CCc1ccc(F)c(F)c1 222976057 DFCCWGBPXPNESJ-UHFFFAOYSA-N 321.371 2.986 0 50 DFAA CCn1cc(-c2ccccc2S(=O)(=O)NC(C)(C)C)c(C)n1 426362068 QEZXUVUVYVVMFC-UHFFFAOYSA-N 321.446 2.955 0 50 DFAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2cncn2C)c1 426580977 LRGVBBXPTHAIGZ-MRXNPFEDSA-N 313.401 2.728 0 50 DFAA c1cncc([C@H]2CN(Cc3nc4c(s3)CCCC4)CCO2)c1 97696267 KIZJNJZAYXWEFB-OAHLLOKOSA-N 315.442 2.990 0 50 DFAA CC[C@@H](NC(=O)CSc1ccccc1C)c1ncnn1CC 243893422 ARAKJQAABFVPKX-CYBMUJFWSA-N 318.446 2.966 0 50 DFAA CCn1ccnc1CN(C)CC(=O)NC1CCCCCCC1 243919530 BOQOCSBBNYRSAG-UHFFFAOYSA-N 306.454 2.564 0 50 DFAA O=C(Cc1c(F)cccc1Cl)N1CCCC[C@H]1c1nc[nH]n1 181194919 LJIWRFUQSQRDGM-ZDUSSCGKSA-N 322.771 2.894 0 50 DFAA COc1nccc(CN2CCCCC[C@@H]2c2c(C)n[nH]c2C)n1 295993869 KKZMKEVWWXAUEQ-OAHLLOKOSA-N 315.421 2.942 0 50 DFAA CO[C@H]1Cc2ccccc2N(C(=O)c2cnc(C3CC3)nc2)C1 296274556 OPHIZWNHGKDPMZ-HNNXBMFYSA-N 309.369 2.572 0 50 DFAA Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)n1 357571480 PSCCYZKNRJUHDR-LBPRGKRZSA-N 324.388 2.793 0 50 DFAA O=C(NCCc1cccc(C(F)(F)F)c1)[C@@H]1CCCNCC1 534641395 CEXAABURLCNJNF-CYBMUJFWSA-N 314.351 2.754 0 50 DFAA O=C(c1ccnc(Cl)c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O 1324560361 AMYOXTQGPUYMLJ-MCIONIFRSA-N 308.809 2.891 0 50 DFAA Cn1cnc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c1 299799436 RUNKIRCCXPNVKO-ZFWWWQNUSA-N 301.365 2.700 0 50 DFAA CC(C)Cc1nc(CNC(=O)CCN2CCCCCCC2)no1 299802347 KRISZZHZXHDWMD-UHFFFAOYSA-N 322.453 2.541 0 50 DFAA Cc1cc(COC(=O)[C@H]2C[C@H]2C2CC2)nc(N2CCCCC2)n1 163199888 GQIZCZIJZHTERN-HOTGVXAUSA-N 315.417 2.865 0 50 DFAA Cc1csc(CNC(=O)Cc2nc3ccc(Cl)cc3[nH]2)n1 827856054 IYLIMNBBTBJGNQ-UHFFFAOYSA-N 320.805 2.840 0 50 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Cc1ccccc1-c1ncc(Cn2ncn3cccc3c2=O)s1 95384833 PEAAUWMRUIFXEQ-UHFFFAOYSA-N 322.393 2.976 0 50 DFAA O=C(O)[C@H]1CCC[C@H](C(=O)NCCc2c(F)cccc2F)C1 179962608 SFWOLUHCQNDHII-QWRGUYRKSA-N 311.328 2.515 0 50 DFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1[C@@H]3C4=C[C@H]5C=C[C@H]4[C@H]([C@@H]23)[C@H]51 247747485 QMPRSJAWTQVIDX-IUTNBNLOSA-N 315.372 2.656 0 50 DFAA Cc1ccc(C)n1CCC(=O)Nc1nnc([C@@H]2CCCO2)s1 253395098 AHFFWDMVUPKMSC-LBPRGKRZSA-N 320.418 2.837 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 299738718 FMVFTQOFOYHXKH-IHRRRGAJSA-N 323.234 2.502 0 50 DFAA CN(C[C@H]1CCCCO1)C(=O)Cn1ccnc1-c1ccccc1 299774691 IRQWIXZEOCQIGX-MRXNPFEDSA-N 313.401 2.578 0 50 DFAA CCOc1cccc(NC(=O)N(C)Cc2nccn2CC)c1 299776472 BZFAPWBAHYWDDN-UHFFFAOYSA-N 302.378 2.966 0 50 DFAA Cc1cc(C)c(CNC(=O)N(C)CC[C@@H](C)N2CCCC2)cn1 584884752 UAICXPSDABEETG-MRXNPFEDSA-N 318.465 2.714 0 50 DFAA CCOC(=O)N1CCC(N2CC[C@@H](Oc3ccccc3)C2)CC1 584893331 WSGZLXAUGTXQFH-QGZVFWFLSA-N 318.417 2.761 0 50 DFAA Cc1ccc(C)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)c1 268544750 LSWILCVTWXFLBR-HNNXBMFYSA-N 319.430 2.563 0 50 DFAA C[C@H]1COc2ccccc2CN1C(=O)Cc1ccc2c[nH]nc2c1 408515361 MMRQTJGQRKIBNJ-ZDUSSCGKSA-N 321.380 2.915 0 50 DFAA Cc1cncc(C(=O)N[C@H](CO)c2ccc(Cl)c(F)c2)c1 165678652 VWSZSCSYQMWUQX-CQSZACIVSA-N 308.740 2.646 0 50 DFAA COc1cnccc1[C@@H](C)NC(=O)N1CCOC[C@@H]1CC(C)C 187180288 MFSSKEYIQMJVRL-KGLIPLIRSA-N 321.421 2.608 0 50 DFAA CC(=O)N1CCC(NC(=O)c2cc3c(F)cccc3s2)CC1 170086191 SWWKZDGKKPIPCJ-UHFFFAOYSA-N 320.389 2.781 0 50 DFAA Cc1cnn(CCc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c1 190371716 MDEBLQCHLADGDY-JSGCOSHPSA-N 304.394 2.736 0 50 DFAA CS[C@H]1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1 599705594 YMHRFFSTNAWLFV-AWEZNQCLSA-N 323.462 2.592 0 50 DFAA O=C(NCCN1CCCCC1)c1cc(Br)cs1 16603316 ROGCGYHESYYJHS-UHFFFAOYSA-N 317.252 2.726 0 50 DFAA CCN(C(=O)c1nn(C)c(C)c1Br)c1cccnc1 1615612928 NWNUSSSQRXXYGE-UHFFFAOYSA-N 323.194 2.553 0 50 DFAA Cc1cnc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cn1 1529151658 LDRQAGOIDVHFCF-ZWKOTPCHSA-N 323.396 2.777 0 50 DFAA O=C(NCc1c(F)cccc1Cl)[C@@H]1CCn2nccc2C1 1857670790 CERAGBIBRCSUNX-SNVBAGLBSA-N 307.756 2.554 0 50 DFAA CC1(C)CCC(NC(=O)c2ccc3c(c2)OCC(=O)N3)CC1 129330504 JJLBATBNTDKPJB-UHFFFAOYSA-N 302.374 2.716 0 50 DFAA CCc1oc2ccccc2c1CC(=O)N1CCC[C@@H](C(=O)O)C1 630097189 GVVPABYGSZWBAD-GFCCVEGCSA-N 315.369 2.861 0 50 DFAA CC(C)n1ncnc1Cn1cc(C(F)(F)F)cc(Cl)c1=O 331193266 MDUCCDNQOHTLLB-UHFFFAOYSA-N 320.702 2.741 0 50 DFAA O=C1O[C@H](CSc2nc3cc(Cl)cnc3[nH]2)CC12CC2 762943384 CCPAZDGWEDOJRF-QMMMGPOBSA-N 309.778 2.799 0 50 DFAA CC[C@@H](CC1CCCC1)c1nc(-c2cn(C)c(=O)nc2O)no1 351211224 CKKGUILDACBPRM-NSHDSACASA-N 318.377 2.610 0 50 DFAA C[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 253405053 HBEQTNLZPBFYPU-GJZGRUSLSA-N 324.424 2.835 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)c(C)n1 261725156 LMJVXZFJPKVWIV-AEFFLSMTSA-N 309.413 2.513 0 50 DFAA Cc1cc(C)cc([C@@H](NC[C@H](O)Cc2ccccc2)C(=O)O)c1 905391354 OGOFIENTKQSUOT-QZTJIDSGSA-N 313.397 2.622 0 50 DFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ncccc3Cl)C2)o1 952890696 GRKKFKIHYFEHHC-MNOVXSKESA-N 320.780 2.568 0 50 DFAA COC1(OC)CCOC[C@H]1CCNCc1sccc1Cl 952991621 CGWOWCNVOCJJIP-LLVKDONJSA-N 319.854 2.907 0 50 DFAA O=C(NCc1cccnc1O)N[C@H]1CC12CCC(F)(F)CC2 1875268553 OGWNXANETZICJE-NSHDSACASA-N 311.332 2.554 0 50 DFAA Cc1cc(=N[C@H](CO)CC2CC2)[nH]c(N(C)c2ccccc2)n1 1875358728 HNPAFAHBXUWNDS-HNNXBMFYSA-N 312.417 2.548 0 50 DFAA O=C(O)[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1cscn1 1875311188 PIMDKSWRPCNNGD-OCCSQVGLSA-N 316.382 2.505 0 50 DFAA C[C@@H]1C[C@@]2(C(=O)NCc3ccc(-n4cc(C5CC5)nn4)cc3)C[C@@H]12 1875323856 VODZMUIEYGQWCM-RNRVQEDPSA-N 322.412 2.807 0 50 DFAA COC(=O)/C=C/CNC(=O)[C@@H](c1ccc(Cl)cc1)C1CC1 1875333482 XHGAURRCLVTJQS-XYBNCVKDSA-N 307.777 2.679 0 50 DFAA Cc1ccc(Sc2ccnc(N3CN(C)C(=O)[C@@H]3C)n2)cc1 1875407583 DGBRLMXWPNWIEG-LBPRGKRZSA-N 314.414 2.561 0 50 DFAA CC1(C)C[C@@H](CNC(=O)CCc2cnc[nH]2)c2ccccc2O1 1775986486 OFKSQHXPTQOFQE-ZDUSSCGKSA-N 313.401 2.803 0 50 DFAA CCc1nsc(NCc2sncc2Br)n1 722793247 VJGZYZFLDWHQPA-UHFFFAOYSA-N 305.226 2.932 0 50 DFAA CCCCN(CC)c1nnc([C@H](O)C(C)C)n1C[C@H]1CCOC1 2325769373 AYXCIGZORGQCCE-HUUCEWRRSA-N 324.469 2.630 0 50 DFAA C[C@@H](N)c1ccc(-c2cnn(-c3ncc(F)cn3)c2)cc1F 2325858220 DQTJYJQBYMQOEV-SECBINFHSA-N 301.300 2.627 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)NC(=O)N1 115929 GUWNURBUEPOKHF-HNNXBMFYSA-N 316.357 2.506 0 50 DFAA COc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1 248972 ZRROZGHOLZPTON-UHFFFAOYSA-N 311.334 2.644 0 50 DFAA O=S(=O)(Nc1ccccn1)c1ccc(Br)cc1 283183 FTYAOASOWZRBHV-UHFFFAOYSA-N 313.176 2.645 0 50 DFAA COc1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1 1456335 PZAOJUNMJOKFBH-UHFFFAOYSA-N 313.353 2.673 0 50 DFAA biogenic COc1cccc(CN2CCC[C@]3(CCc4cnc(C)nc43)C2)n1 2356141500 DYCYARDCSAWXQD-IBGZPJMESA-N 324.428 2.669 0 50 DFAA CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 4855787 CDFIAMWLXXKWBN-OAHLLOKOSA-N 307.305 2.674 0 50 DFAA CSc1ccccc1C(=O)N1CCN(c2ccccn2)CC1 4850944 GPGIXXNFRBYWHM-UHFFFAOYSA-N 313.426 2.766 0 50 DFAA Cc1nnc2sc(COc3ccc4ccccc4c3)nn2c1=O 8400844 YDYLFSJNXYZOMX-UHFFFAOYSA-N 324.365 2.587 0 50 DFAA COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@H](C)C4)cc1 9225454 VKWCGZISXVMVGR-SNVBAGLBSA-N 322.368 2.873 0 50 DFAA O=C(NCc1ccco1)C1CCN(C[C@@H]2CC=CCC2)CC1 22241684 KXQXKGHRFDKSQY-OAHLLOKOSA-N 302.418 2.964 0 50 DFAA Cc1ccc(C)c(OCCN(C)C(=O)[C@H]2CCCNCC2)c1C 55568626 YHWVCENYSDTKKW-KRWDZBQOSA-N 318.461 2.839 0 50 DFAA Cc1c(C(=O)NC(=O)OCC(C)C)cnn1-c1ccccc1 22018757 PEXNMHLGDBCKLL-UHFFFAOYSA-N 301.346 2.703 0 50 DFAA Cc1ccc2c(c1)CC[C@@H](c1nc(Cc3ccnn3C)no1)O2 350063370 HVGQZAZGGZXXTB-HNNXBMFYSA-N 310.357 2.769 0 50 DFAA CCN(C(=O)c1cnc(C(=O)OC(C)(C)C)cn1)C1CCCC1 252488083 IIXYKZKQYXZUTF-UHFFFAOYSA-N 319.405 2.837 0 50 DFAA C[C@@H](Cc1cccnc1)NC(=O)C1(N2CCCC2)CCCC1 215729436 WFPZYCYCFNQUFN-HNNXBMFYSA-N 301.434 2.537 0 50 DFAA CC(C)(C(=O)NCc1nc(C(=O)O)cs1)c1cccc(F)c1 124305847 LBSSWWUFNKOYCF-UHFFFAOYSA-N 322.361 2.574 0 50 DFAA Cc1cc(Cl)ccc1OCC(=O)N1[C@H]2CC[C@H]1CC(O)=NC2 330150656 NFZLQSCHCGNHHH-STQMWFEESA-N 322.792 2.747 0 50 DFAA Cc1c(C(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]c2ccccc12 71767894 JJPDQSPJMWFXGE-LBPRGKRZSA-N 312.291 2.880 0 50 DFAA CCCCc1nc(Cl)c(CN2CCC[C@H](c3ncn[nH]3)C2)[nH]1 215461748 LUTZDQFXZOIEPC-NSHDSACASA-N 322.844 2.903 0 50 DFAA Cc1ncccc1O[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 375982330 XRVRKCHYJIFUBT-OAHLLOKOSA-N 300.402 2.806 0 50 DFAA c1cncc(-c2n[nH]cc2CN2CCCC[C@H]2Cn2cccn2)c1 371374411 QVUSTAXUDZXKEQ-KRWDZBQOSA-N 322.416 2.723 0 50 DFAA O=C([C@H]1C[C@@]12CCNC2)N1CCC(Cc2cccc(F)c2)CC1 444156958 NEIGWXSMFFJVSA-IEBWSBKVSA-N 316.420 2.606 0 50 DFAA CCOC[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)O)cc2)C1 236978910 IULZLGPRIBALMX-VSGCLNPGSA-N 317.385 2.673 0 50 DFAA COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl 43129833 CTEGQKDJTBWFHW-UHFFFAOYSA-N 311.794 2.741 0 50 DFAA in-vitro CCO[C@@H]1C[C@@H](N(C)C(=O)c2cnc3ccccc3n2)C1(C)C 172566512 OWGDPQOOYCFZID-HZPDHXFCSA-N 313.401 2.905 0 50 DFAA Cc1ccc(CCNC(=O)c2scc3c2OCCO3)s1 222862890 XVTLYLPBQBMXNV-UHFFFAOYSA-N 309.412 2.862 0 50 DFAA CSc1ncccc1C(=O)NCCCc1nc(C)cs1 222739564 GIRODUBOUVTFFX-UHFFFAOYSA-N 307.444 2.931 0 50 DFAA O=C(CCc1ccccn1)N1CC(Oc2ccccc2Cl)C1 82108994 IVFBKTJOIJVTHP-UHFFFAOYSA-N 316.788 2.957 0 50 DFAA COc1cccc(Cl)c1CNC(=O)CCc1ccccn1 242389460 ZXJFGFYKVUZRJS-UHFFFAOYSA-N 304.777 2.993 0 50 DFAA NC1CC(c2cc(NCCOc3ccccc3Cl)ncn2)C1 222240609 XPTDQCPKGAUPAL-UHFFFAOYSA-N 318.808 2.826 0 50 DFAA COc1ccc2nc(N3CCC[C@@H](n4cncn4)C3)ccc2c1 173747067 XEVQMOZGEDCCBW-CQSZACIVSA-N 309.373 2.676 0 50 DFAA CN1CCCCC[C@@H]1C(=O)NCCOCc1ccc(Cl)cc1 95352268 FYSHNYYQGRRMBJ-MRXNPFEDSA-N 324.852 2.847 0 50 DFAA COc1ccc(CN(C)[C@H](C)Cc2cnccn2)cc1OC 97696321 SCRIMSAPWNLMJT-CYBMUJFWSA-N 301.390 2.557 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CC[C@@H](C(=O)O)C3)c2)cc1 178265861 CKDKABQYFTVIFM-CQSZACIVSA-N 310.353 2.604 0 50 DFAA Cc1cccc2c(N3CCO[C@H](Cn4cccn4)C3)ccnc12 178215324 BCENKJUNOSGXEC-HNNXBMFYSA-N 308.385 2.645 0 50 DFAA Cc1cccc(C)c1NCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239377496 OAPZOXGLZGZDEE-JQVOGXOBSA-N 322.408 2.726 0 50 DFAA c1ccc2nc(-n3nc([C@H]4CCOC4)nc3C3CC3)cnc2c1 97716858 NCNMDZBKOODSCG-LBPRGKRZSA-N 307.357 2.592 0 50 DFAA CCCn1cc(C(=O)N[C@@H](C)c2c(C)nn(CC)c2C)c(C)n1 91575491 ZGZNTTMKELYUKV-LBPRGKRZSA-N 317.437 2.926 0 50 DFAA Cc1cccc(COc2cccc(CC(=O)N3CC[C@H](N)C3)c2)c1 237655982 GVDDWZWXISKXKD-SFHVURJKSA-N 324.424 2.676 0 50 DFAA Cc1cccc(C)c1OC[C@@H](O)CN[C@H]1CC(C)(C)OC1(C)C 178619368 QGWWJJIVIFLZPR-HOTGVXAUSA-N 321.461 2.979 0 50 DFAA COc1ccc(C(C)C)cc1S(=O)(=O)Oc1ccccn1 231416279 WGWIMAXEBVGPEV-UHFFFAOYSA-N 307.371 2.981 0 50 DFAA Cc1ccc([C@H](C)CCN2CCN(C(=O)c3ccc[nH]3)CC2)o1 97495258 UPLLWUHWRZWRCB-CQSZACIVSA-N 315.417 2.868 0 50 DFAA CN(Cc1ccoc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 339523492 MBXAUHKGOLFBGC-KRWDZBQOSA-N 313.401 2.696 0 50 DFAA Cc1[nH]nc(CN2CCC[C@@H](OCc3ccccn3)C2)c1Cl 97547465 QPAFYGZASRKTRP-CQSZACIVSA-N 320.824 2.948 0 50 DFAA CCn1ccc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)n1 244691969 JMBXZQKUODGKEV-IBGZPJMESA-N 313.445 2.719 0 50 DFAA O[C@@H](CN1CCc2[nH]c3ccc(F)cc3c2C1)c1cccnc1 294956575 NAFPHCKRRGBJAD-SFHVURJKSA-N 311.360 2.794 0 50 DFAA c1ccc(C2=NO[C@H](CN3CCC(c4cc[nH]n4)CC3)C2)cc1 252495479 ORKNFCHWDVEIDW-INIZCTEOSA-N 310.401 2.782 0 50 DFAA O=C(c1ccc(OC(F)F)c(F)c1)N1Cc2cccnc2C1 622578067 KYKXQHDJIBSTQP-UHFFFAOYSA-N 308.259 2.978 0 50 DFAA Cc1cccc(CSCCCNC(=O)NC2CCNCC2)c1 828015618 UTPIAFXORACOJA-UHFFFAOYSA-N 321.490 2.670 0 50 DFAA COc1ccc(-c2ccc(C(=O)NCc3nonc3C)o2)cc1 824689308 QQJBBPFMEHYLAM-UHFFFAOYSA-N 313.313 2.577 0 50 DFAA CC(C)(O)Cn1nc(-c2ccco2)nc1-c1cc(C(F)F)[nH]n1 825720077 MFGRTSNNGLHUMU-UHFFFAOYSA-N 323.303 2.637 0 50 DFAA C[C@H]1CCc2c(sc3nc(Cc4cnsn4)nc(O)c23)C1 585137400 XKAKGPITPVYYSR-ZETCQYMHSA-N 318.427 2.964 0 50 DFAA CCc1nccn1CCCn1cnc2c(C)cc(C)cc2c1=O 584888161 FQZHYVHPVKWRHA-UHFFFAOYSA-N 310.401 2.863 0 50 DFAA COCc1nc([C@@H]2CCCCCN2C)n(CC(F)(F)F)n1 670444323 SIVGZJOOXZMLCO-JTQLQIEISA-N 306.332 2.534 0 50 DFAA O=C(c1ccncc1F)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 304310332 KFVFZPUIUWIRSF-RHSMWYFYSA-N 314.360 2.949 0 50 DFAA CN(Cc1ccc(F)c(F)c1)c1cc(N2CCCC2)ncn1 301168786 CXPDBLILVBSSCQ-UHFFFAOYSA-N 304.344 2.991 0 50 DFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H](CO)C[C@@H](C)C1 408521828 MHXNDKODXXKJIK-OCCSQVGLSA-N 314.385 2.741 0 50 DFAA COC(=O)[C@H](NC(=O)c1scc(C)c1Cl)C(F)(F)F 1775996681 DHAZNIHVBSYLJV-ZETCQYMHSA-N 315.700 2.544 0 50 DFAA CC(C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)=C1CCCC1 276812808 XATNNNYQSJACRB-GOEBONIOSA-N 303.406 2.504 0 50 DFAA O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)c1cnns1 279165027 BSIDDBQASHZHOV-QWRGUYRKSA-N 300.387 2.779 0 50 DFAA Cn1ncc2c1C[C@@H](C(=O)N1c3ccccc3CC1(C)C)CC2 637679673 IDEYIBQHSSZUJA-ZDUSSCGKSA-N 309.413 2.893 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccco2)nc1 642208138 MTESFEFLZFQSAB-MRXNPFEDSA-N 322.320 2.892 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CC2=Cc3ccccc3OC2)C1 643773145 HEAJOHBZJPLZAG-CVEARBPZSA-N 311.385 2.648 0 50 DFAA C[C@H](O)[C@@](C)(CNC(=O)c1cscn1)Cc1ccccc1 192038937 LUXUXXBFDBMFBN-BLLLJJGKSA-N 304.415 2.503 0 50 DFAA CCCNc1ccc(CNC(=O)N2CCC(C)(O)CC2)cc1 192599449 UAZUXABDDCIIHJ-UHFFFAOYSA-N 305.422 2.565 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2cc[nH]c2)C12CCC2 585112992 SHLKSTXOLNDBFR-QWHCGFSZSA-N 319.405 2.580 0 50 DFAA COC1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCCC1 683115164 CWYAPYJEUNCZIE-QGZVFWFLSA-N 316.445 2.679 0 50 DFAA C[C@H](N)[C@H]1CCN(C(=O)c2ccc(Nc3cccnc3)cc2)C1 659306231 MRUKSWFKDNDADI-ZFWWWQNUSA-N 310.401 2.635 0 50 DFAA Nc1ncc(C(=O)N2CC[C@H](CSc3ccccc3)C2)o1 1615606311 YOCLKKYYCCTAHQ-NSHDSACASA-N 303.387 2.511 0 50 DFAA COc1c(C)cc(-c2ccc(NS(C)(=O)=O)nc2)cc1C 1506415938 RPJUGTKCDLYKBI-UHFFFAOYSA-N 306.387 2.746 0 50 DFAA CSc1cccc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)c1 1529189656 SZZGJHFVFYNADV-PBHICJAKSA-N 318.442 2.740 0 50 DFAA CC(=O)N1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1 12381927 SHWSZPNPOBKZSX-UHFFFAOYSA-N 323.824 2.603 0 50 DFAA OCCOc1cccc(-c2nccn2CC[C@@H]2CCCOC2)c1 1857676750 WYXMUPCXGGJHBP-HNNXBMFYSA-N 316.401 2.738 0 50 DFAA CN1CCO[C@H](CNc2ncc(-c3ccc(Cl)cc3)s2)C1 413104182 MAUZPEXXECPPTR-CYBMUJFWSA-N 323.849 3.206 0 50 DFAA Cc1cc(CNC[C@H]2CC[C@@H](CO)O2)ccc1C(F)(F)F 414457601 WMTLTYZPNWUMBP-OLZOCXBDSA-N 303.324 2.643 0 50 DFAA CCc1cccc(C(=O)N2CCc3ccc(OC)cc3CC2)n1 451031150 VPDJZTNESLSKNB-UHFFFAOYSA-N 310.397 2.894 0 50 DFAA Cc1ccc(CC2CN(C(=O)NC[C@H]3CCOC[C@@H]3C)C2)cc1 664883928 RFKIXYIJLQAIAN-MAUKXSAKSA-N 316.445 2.852 0 50 DFAA Cc1cccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CCC2)n1 247864172 HOWZGHATMGSEJS-AEFFLSMTSA-N 313.445 2.613 0 50 DFAA O=C(C[C@@H]1CNCCO1)NC1(c2cccc(Cl)c2)CCCC1 252499098 RVLQQPGSURIQOP-OAHLLOKOSA-N 322.836 2.604 0 50 DFAA Cc1ccc([C@@H](CNC(=O)C2(C)CCOCC2)N2CCCC2)o1 588649192 MODATZGTYHVEAA-OAHLLOKOSA-N 320.433 2.658 0 50 DFAA C[C@@H](O)CN(CC(F)F)C(=O)c1cc(F)cc2ccoc12 821856257 BPXQETDMLHKRKF-MRVPVSSYSA-N 301.264 2.660 0 50 DFAA COc1cc2c(cc1NC(=O)N1CCCCC1)NC(=O)CC2 930880534 UZAXKAGDVHHLBG-UHFFFAOYSA-N 303.362 2.598 0 50 DFAA Cc1cc(C(=O)COC(=O)c2cc3cc(F)c(F)cc3[nH]2)no1 1875356879 XQHKFWVIJOMOEN-UHFFFAOYSA-N 320.251 2.782 0 50 DFAA C=CC(=O)N(Cc1nc(C)c(C)s1)[C@H]1CCCN(CC)C1 1875382655 LASYCGXAHDAXTO-AWEZNQCLSA-N 307.463 2.759 0 50 DFAA O=C(Cc1csc(C(=O)O)c1)N[C@@H]1C[C@@H]1Cc1ccccc1 1875304368 IKTGIKKYVDSODI-UONOGXRCSA-N 315.394 2.736 0 50 DFAA C=CC(=O)N(Cc1cc(C)n(C)n1)[C@H](C1CC1)C(F)(F)F 1875388155 PBFSTTXPCCEFKR-CYBMUJFWSA-N 301.312 2.584 0 50 DFAA COc1ccnc(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)n1 895674046 LEBXZRMNOHTYLW-LLVKDONJSA-N 316.430 2.814 0 50 DFAA C[C@H]1CN(Cc2ccccc2)CCCN1CCc1cnn(C)c1 265853786 IUZUVODKNCHKFY-KRWDZBQOSA-N 312.461 2.559 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(COc3ccccc3)o2)CCC1=O 2325729668 YWDKKTAGXXAZNF-ZDUSSCGKSA-N 313.353 2.910 0 50 DFAA NC(=O)c1coc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 2325733086 UBDNFDRCSFIATA-UHFFFAOYSA-N 323.304 2.571 0 50 DFAA Cc1cccc([C@@H]2[C@H](C)CN2C(=O)Cn2nnc3ccccc32)c1 2325770199 SEUDCBXDTIDBKA-KUHUBIRLSA-N 320.396 2.959 0 50 DFAA Cc1nnsc1CN1C[C@@H](C(=O)O)CCC12CCCCC2 2325791920 ITUFKWVJJRTCEP-LBPRGKRZSA-N 309.435 2.846 0 50 DFAA CCOC(=O)c1ccc(CC(=O)c2cc(CC)c(O)cc2O)o1 241889 GRIXIWINDPCWQJ-UHFFFAOYSA-N 318.325 2.855 0 50 DFAA biogenic CCOC(=O)c1cc2ccccc2cc(C(=O)OCC)c1=O 405082 CEFVWDWRRPNWLO-UHFFFAOYSA-N 300.310 2.553 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1 468844 PCAGBWNSEHFSDS-UHFFFAOYSA-N 311.432 2.846 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](O)CC(=O)O 2545934 IJMMECIIPUTJIH-OLZOCXBDSA-N 315.410 2.686 0 50 DFAA Cc1nc(=NC[C@@H]2CCN(c3ccccc3F)C2)[nH]c(C)c1C 2356161509 YAZUJGSHUXOFPF-HNNXBMFYSA-N 314.408 2.901 0 50 DFAA CC1=C(C)C[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](C(=O)O)C1 4651544 GRHXDXVATYSXBW-GJZGRUSLSA-N 305.349 2.889 0 50 DFAA CCS(=O)(=O)/C=C(/I)c1ccccc1 4761406 FLJYQDKKMHDQNF-CSKARUKUSA-N 322.167 2.855 0 50 DFAA O=C(NC1CCCCC1)N1CCN(CCc2ccccc2)CC1 55059024 CDRFBLQWHLTIIB-UHFFFAOYSA-N 315.461 2.889 0 50 DFAA CC(=O)c1cc(C(=O)N[C@@H]2CC(=O)c3ccccc32)c(C)nc1C 416194331 HVQAMOTWFIGTSU-QGZVFWFLSA-N 322.364 2.959 0 50 DFAA Cc1cc(N(C)C(=O)c2cccc(Cn3ccnc3)c2)ccn1 343802172 UYRHVFGRFAGBOP-UHFFFAOYSA-N 306.369 2.911 0 50 DFAA CCc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)o1 20536278 JTXOSBQHZFZEDF-INIZCTEOSA-N 306.450 2.653 0 50 DFAA Cc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 23153410 QPKBMNPGEHFUHZ-IBGZPJMESA-N 302.462 2.806 0 50 DFAA CSCC[C@@H]1CC(=O)Nc2c1cnn2Cc1cccnc1 65397709 UZTSAIHYJWXZBP-GFCCVEGCSA-N 302.403 2.505 0 50 DFAA CC(C)n1ncc2cc(CN3CCC[C@@H]3C(C)(C)O)cnc21 119105788 LJSWNWAOQINUCD-OAHLLOKOSA-N 302.422 2.748 0 50 DFAA COc1ccc(-c2cnnc(NC[C@H]3CCCCO3)n2)cc1F 12314575 MMFIGRPPCDNYNN-GFCCVEGCSA-N 318.352 2.667 0 50 DFAA Cc1cccc(O[C@H](C(=O)N(C)Cc2nnc(C)o2)C(C)C)c1 217056825 WPYDBMANEKFRHC-INIZCTEOSA-N 317.389 2.748 0 50 DFAA Cc1nc([C@@H]2CCCN2C[C@@H](O)c2ccc(F)cc2F)no1 229887176 NKDOBFHDUIAUIX-UONOGXRCSA-N 309.316 2.527 0 50 DFAA O=C(CO)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71714713 USVHFJQSPOIKNY-LBPRGKRZSA-N 315.335 2.869 0 50 DFAA O=C(C[C@H]1CCCNCC1)N1CCCN(c2ccccc2)CC1 427265357 NCFJTLGFPICNGZ-KRWDZBQOSA-N 315.461 2.505 0 50 DFAA CCS(=O)(=O)c1ccccc1NC[C@@H]1NCCCC1(C)C 233857971 PFMVIRXYKHSGBO-HNNXBMFYSA-N 310.463 2.670 0 50 DFAA O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1ccc2nccn2c1 439261591 RUDSFAKZXHIPMT-UHFFFAOYSA-N 322.303 2.511 0 50 DFAA Cc1cc(N2CCCN(Cc3cccc(CCN)c3)CC2)ccn1 72170596 CEMYTQOIIIINBJ-UHFFFAOYSA-N 324.472 2.604 0 50 DFAA Cc1nc2c(c(N(C)Cc3csc(C(C)C)n3)n1)CNC2 72158439 MVIRLELDYVPKGV-UHFFFAOYSA-N 303.435 2.605 0 50 DFAA Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](c3nccn3C)C2)o1 367703085 MXNMHAHKRCPIFB-CYBMUJFWSA-N 311.389 2.701 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)nn1C(C)(C)C 236598715 UWDICJZQMBUYAE-GFCCVEGCSA-N 321.421 2.698 0 50 DFAA CO[C@@H]1CCN(C(=O)Nc2ccn3ccnc3c2)CC1(C)C 333194804 PFJAUPCLOJSZAZ-CYBMUJFWSA-N 302.378 2.613 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2occc2C)c1 282486088 MESCMPKBIVBBQB-DZGCQCFKSA-N 301.342 2.545 0 50 DFAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CC2(C)C)CC1 130419415 DYSNTJSNUZETJU-CQSZACIVSA-N 302.418 2.780 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)C[C@@H]2CCCCN2C)C1 426429764 HJZKHGNANPAAJP-INIZCTEOSA-N 316.445 2.767 0 50 DFAA Cc1cc(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)ccc1O 223868914 KTIFSOCPFRWUCT-UHFFFAOYSA-N 315.413 2.618 0 50 DFAA C[C@H](NC(=O)C(C)(C)N1CCCC1)c1nc2ccccc2[nH]1 426531781 PJECSBUMEADNDM-LBPRGKRZSA-N 300.406 2.615 0 50 DFAA O=C1CC[C@]2(CCOC2)CN1Cc1nc2cc(Cl)ccc2[nH]1 91656380 OXAZMUFWRJSMSL-INIZCTEOSA-N 319.792 2.745 0 50 DFAA CNC[C@@H]1CCCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 237181031 BDANERLBTZDZJO-GJZGRUSLSA-N 306.425 2.852 0 50 DFAA NC[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1 178544434 AVBCBOLQOIWLSV-NSHDSACASA-N 313.376 2.672 0 50 DFAA CN1CCC[C@@]2(CCN(c3ccc(C(F)(F)F)cn3)C2)C1=O 91966523 WKFSSTURGSVKRF-AWEZNQCLSA-N 313.323 2.549 0 50 DFAA CCOCCN1CCC[C@@H](c2nccn2Cc2cscn2)C1 95370449 LWBFFVRNWVXRAM-CQSZACIVSA-N 320.462 2.604 0 50 DFAA CC[C@@H]1CN(C(=O)c2c(F)cccc2OC)CCN1C(C)C 91289430 FTVLBKWATMVILN-CYBMUJFWSA-N 308.397 2.779 0 50 DFAA c1ccc2c(c1)ncn2CCN1CCCN(C2CCCC2)CC1 244724359 MSNSSANICUSWGF-UHFFFAOYSA-N 312.461 2.987 0 50 DFAA CC(C)c1noc(N2CC[C@@H](n3cnc4c3CCCC4)C2)n1 299743448 NLZUROCRKYIIGI-GFCCVEGCSA-N 301.394 2.720 0 50 DFAA COc1cc(I)cnc1C(F)(F)F 263624803 UJLPAOWCOVCUBF-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA Cc1cc2occ(C(=O)N3CCC[C@H]3C(=O)N(C)C)c2cc1C 184921123 AOFGVHGQLQUWAT-HNNXBMFYSA-N 314.385 2.742 0 50 DFAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)CCCc1ccccc1)C2 670460746 YWBHACLYCUHRBI-ROUUACIJSA-N 300.446 2.952 0 50 DFAA CC[C@H](C)Cc1nc(CN2CCCC2=O)n(CC(F)(F)F)n1 952964767 PJOINQBTHBBYRN-JTQLQIEISA-N 318.343 2.551 0 50 DFAA Cc1ccc(F)cc1S(=O)(=O)N(C)CC[C@H]1CCCCO1 952970687 WGZZNLZQAYRYMH-CQSZACIVSA-N 315.410 2.714 0 50 DFAA O=C(NCCn1cccn1)Nc1scnc1-c1ccccc1 193999158 HFDXUEKUGVHFBJ-UHFFFAOYSA-N 313.386 2.828 0 50 DFAA O=C(N[C@H]1C[C@H](C(=O)O)c2ccccc21)c1cc(C2CC2)on1 653332658 GNYIVPNZGRLHGR-STQMWFEESA-N 312.325 2.595 0 50 DFAA CN(C)c1cccc([C@H]2CCCN2C(=O)NCc2ccon2)c1 747509182 BFPJHKDRNSEEQB-MRXNPFEDSA-N 314.389 2.787 0 50 DFAA C[C@@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 788076479 DIMDNXCOVMWRRI-TZMCWYRMSA-N 306.369 2.651 0 50 DFAA Nc1cccc2cc(S(=O)(=O)N3CCC[C@@H]4C[C@@H]43)ccc12 1615587299 JDGKYHZZTMKOEJ-WBMJQRKESA-N 302.399 2.595 0 50 DFAA C[C@H](CN(C)CC(=O)NC1CCCCCCC1)CN1CCCC1 1529105535 FMYKWBQABCPIBZ-QGZVFWFLSA-N 323.525 2.879 0 50 DFAA CCCC[C@H]1CC[C@H](C(=O)N(CCO)Cc2cncn2C)CC1 1704337156 XLSIGCMKHATUGB-WKILWMFISA-N 321.465 2.738 0 50 DFAA O=C(CCCc1ccc(F)cc1)N1CCC[C@H](C2(O)CC2)C1 1772814915 VBQALILNLWHNKM-HNNXBMFYSA-N 305.393 2.912 0 50 DFAA COc1ccc(-c2nc(CN3CCOCC3)c(C)o2)cc1C 14973895 VYIRIQLEGCTTFF-UHFFFAOYSA-N 302.374 2.799 0 50 DFAA COc1ncccc1-c1nccn1[C@@H](CO)c1ccc(F)cc1 1857708032 QLRALRADGHCSRD-HNNXBMFYSA-N 313.332 2.675 0 50 DFAA COc1ccc2nc(Cc3ccc(F)c(F)c3)[nH]c(=O)c2c1 225544499 ZTLJFEDIQJSVGJ-UHFFFAOYSA-N 302.280 2.801 0 50 DFAA Cc1ncccc1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 115502579 FLIDEQGLCWVGMP-KRWDZBQOSA-N 323.396 2.658 0 50 DFAA O=C(O)[C@H]1C[C@H]1C(=O)Nc1cc2c(cc1Br)CCC2 634832189 XKHWNPSCECESFX-ZJUUUORDSA-N 324.174 2.597 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 136515838 ABTHQJJNQPRCMO-YRGRVCCFSA-N 309.312 2.534 0 50 DFAA CSCCCCNC(=O)N[C@@H]1CCCC12CCOCC2 252483178 DWPDFXWREVFVJN-CYBMUJFWSA-N 300.468 2.778 0 50 DFAA C[C@H](CNCc1ccnn1C)Oc1cccc(Br)c1 266986048 VQCRLOXAWOYPFW-LLVKDONJSA-N 324.222 2.740 0 50 DFAA CC(C)(C)c1ccc(C(=O)NCc2nc(C(=O)O)co2)s1 909888149 WEZVPEGZKRZMEL-UHFFFAOYSA-N 308.359 2.662 0 50 DFAA O=C(c1ccsc1C(F)F)N1CCC[C@H](n2cncn2)C1 931992849 VKCPOQDCPURGDC-VIFPVBQESA-N 312.345 2.755 0 50 DFAA CN(C)[C@@]1(C)CCN(c2nc(-c3cccnc3)nc3c2CCC3)C1 1875288225 STJNPBCGTQKIGL-IBGZPJMESA-N 323.444 2.558 0 50 DFAA c1cnc2sc(N3CCO[C@@H](c4nccs4)C3)nc2c1 1875286145 HLKCQQNJFZEFMS-SNVBAGLBSA-N 304.400 2.726 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@@H](C[C@H](C)C(=O)O)C2)on1 1875323986 XHGCTJQWEPMNNF-RYUDHWBXSA-N 308.378 2.761 0 50 DFAA Cc1cc(=N[C@@H](CC(C)C)CN(C)C)[nH]nc1C(F)(F)F 1875356192 IQFJIRUHCZMKLK-NSHDSACASA-N 304.360 2.614 0 50 DFAA C[C@@H]1CN(c2ncc(Cl)cc2F)CCN1c1ccncc1 882821428 VIFYDBWQOMURNR-LLVKDONJSA-N 306.772 2.984 0 50 DFAA CN1CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 712539858 ZZKBYIJOKHFLLK-UHFFFAOYSA-N 306.715 2.746 0 50 DFAA c1ccc2c(c1)SC[C@@H]2Cn1nnnc1N1C2CCC1CC2 2325764961 DVQDAVNGOQDITG-HIFPTAJRSA-N 313.430 2.694 0 50 DFAA OCc1cnn(Cc2ccc(-c3ccsc3CO)cc2)c1 2325843784 PPLZIBXGHOUWKN-UHFFFAOYSA-N 300.383 2.645 0 50 DFAA C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccnc1 866067404 CUUZECKBXWDEAY-WCQYABFASA-N 320.393 2.601 0 50 DFAA CCOc1ccc(C(=O)COC(=O)c2ccccc2O)cc1 288959 GTRICEIGQMEOTB-UHFFFAOYSA-N 300.310 2.831 0 50 DFAA COC(=O)c1cn(CC(=O)N2CCCC[C@H]2C)c2ccccc12 382385 FNFDOWSUYYVTRR-CYBMUJFWSA-N 314.385 2.829 0 50 DFAA Cn1nnc2cc(NC(=O)N3CC[C@H](c4ccccc4)C3)ccc21 471155 ZVLZKEWJSUNGPU-AWEZNQCLSA-N 321.384 2.990 0 50 DFAA Cc1nc(N2CCN(c3ccc(F)cn3)[C@@H](C)C2)nc(C)c1C 2356153215 XEMGDTKUWIFVIZ-NSHDSACASA-N 315.396 2.651 0 50 DFAA CCC[C@@]1(C(=O)O)CN(C/C=C/c2ccc(F)cc2)CC[C@H]1O 2356159302 UXEWZCWXMQITNF-CMDLKFMISA-N 321.392 2.777 0 50 DFAA CCOC(=O)C1CCN(CCOc2ccc3c(c2)CCC3)CC1 6704188 MPOMVELNCJGIOT-UHFFFAOYSA-N 317.429 2.829 0 50 DFAA Cc1cc(C)cc(NC(=O)Cn2ncc3ccccc3c2=O)c1 8240494 SCHROJBEXYBPHJ-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA COC(=O)Cc1ccc(NC(=S)NCc2ccccc2)cc1 8682425 BOAIOQXMSFCCHT-UHFFFAOYSA-N 314.410 2.889 0 50 DFAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 101360457 ASIICBLSIDAYNC-SKNMWMDOSA-N 323.348 2.673 0 50 DFAA O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc[nH]n1 346706831 GBJVUKZXWAXHLH-UHFFFAOYSA-N 312.304 2.666 0 50 DFAA Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(-c2ccccc2)o1 20638006 BEBLNSBIIKMIKQ-LBPRGKRZSA-N 310.357 2.665 0 50 DFAA O=c1[nH]nc(Cc2cccnc2)n1-c1ccc(Cl)cc1Cl 67868134 BEPRHBMNVDZFDE-UHFFFAOYSA-N 321.167 2.853 0 50 DFAA CC[C@H](C)c1ccccc1OCC(=O)N1CCC2(CCN2)CC1 424052494 MJFYRSZSZFWEKT-HNNXBMFYSA-N 316.445 2.933 0 50 DFAA CCOc1cc(C)ccc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 229757957 NZLZWCWZUPQLFL-KBPBESRZSA-N 305.422 2.998 0 50 DFAA O=C(c1ccncc1Cl)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348259590 MDBRWBNRKXAIAN-SWLSCSKDSA-N 320.751 2.822 0 50 DFAA Cc1oc(CN(C)C(=O)c2csc(C3CC3)n2)cc1C(=O)O 120723704 OIPHSJXXTOBCIM-UHFFFAOYSA-N 320.370 2.892 0 50 DFAA CCCc1nnc2sc([C@@H]3CCC(=O)N(CC(C)C)C3)nn12 71752429 RYVIYCZVSSTXFD-LLVKDONJSA-N 321.450 2.500 0 50 DFAA C[C@@H](Cc1ccncc1)Nc1ncc(F)c(N2CCCC2)n1 65373852 QFVSSHFRIHYLJD-LBPRGKRZSA-N 301.369 2.654 0 50 DFAA CC[C@@]1(CO)CCCN1Cc1cc2ccc(C)cc2[nH]c1=O 67821550 JWKKINSZYDUECB-SFHVURJKSA-N 300.402 2.573 0 50 DFAA Cc1nc2c(C)cccc2cc1C(=O)NC[C@H]1CCCN(C)C1 67805523 HVKALULDZPTWCQ-OAHLLOKOSA-N 311.429 2.923 0 50 DFAA CO[C@@H](Cn1cnc2cc(F)ccc2c1=O)c1cccs1 32598341 AADZTAUHPWSDGG-ZDUSSCGKSA-N 304.346 2.985 0 50 DFAA O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2cccnc2)c1 1399059 NWLIKRICPBCIHL-UHFFFAOYSA-N 323.327 2.710 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1 238206141 AVIMGWIQFARNNY-CYBMUJFWSA-N 317.366 2.660 0 50 DFAA Cc1cncnc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 216291206 WFYGPPTZFPNGGT-UHFFFAOYSA-N 313.376 2.873 0 50 DFAA C[C@@H](c1nc(O)c2ccccc2n1)N1CCC[C@H]1Cn1cccn1 253605449 YHWFDWYLKWCCAM-KBPBESRZSA-N 323.400 2.758 0 50 DFAA Cc1cn(-c2cccc(NC(=O)c3cncc(F)c3)c2)c(O)n1 357767544 KGQUGNIUBFNFIW-UHFFFAOYSA-N 312.304 2.673 0 50 DFAA CCCc1nnc2sc(CCc3nc4ccccc4[nH]3)nn12 71589554 UCKQUFYYJXSCIE-UHFFFAOYSA-N 312.402 2.800 0 50 DFAA CCOC1(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)CCCC1 375118967 ZFZGCMWHRRRMJX-IBGZPJMESA-N 315.413 2.994 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(N2CCCCC2)cc1 262654837 KJRGCXBOKWQDHK-MRXNPFEDSA-N 316.401 2.756 0 50 DFAA O=C(Cc1ccccc1Cl)NC[C@H]1CSCCS1 176658485 XKGBLWPHXLFTGQ-NSHDSACASA-N 301.864 2.847 0 50 DFAA Cc1ccc(C)c(-n2ncc(NC(=O)[C@@H]3CCCNC3)c2C)c1 290134139 ZPCMAINOKZIBHT-OAHLLOKOSA-N 312.417 2.736 0 50 DFAA O=C(COc1ccccc1Cl)NCCCNc1cccnc1 222738654 VAWIAEQLMUMYMN-UHFFFAOYSA-N 319.792 2.732 0 50 DFAA COc1cccc(-c2ccc(C(=O)N3CCn4cncc4C3)o2)c1 426712764 OUALGSCFXYJPHV-UHFFFAOYSA-N 323.352 2.808 0 50 DFAA CSCc1nc([C@@H]2CN(Cc3ccccc3)CCO2)no1 20858265 BINLWYYEAFWCJX-ZDUSSCGKSA-N 305.403 2.506 0 50 DFAA Cc1cc(C)n(CC(=O)N[C@H]2CCCOc3c(F)cccc32)n1 179922711 KRKALKCYBQOFHP-HNNXBMFYSA-N 317.364 2.669 0 50 DFAA CN(C(=O)[C@@H](c1ccc(F)cc1)N(C)C)C1CCSCC1 95370217 UHWGBEFQVNNAMW-OAHLLOKOSA-N 310.438 2.782 0 50 DFAA Cc1ccc(OCCCC(=O)N2CCC(C(=O)O)CC2)cc1C 237711171 VISZTMIISFTFAE-UHFFFAOYSA-N 319.401 2.786 0 50 DFAA Cc1oc2c(c1C(=O)N1CCC[C@]3(CCOC3)C1)C(=O)CCC2 91461100 MCDMLMOEYMUGQL-SFHVURJKSA-N 317.385 2.750 0 50 DFAA CCN1CCCC[C@H]1C(=O)N(CCOC)Cc1ccccc1F 97117685 XZBCNFJXIWYSCK-KRWDZBQOSA-N 322.424 2.675 0 50 DFAA CC[C@H]1CN(CCCc2cccc(C)c2)CCN1C[C@H](C)O 245554367 SHFFCXHIBXGTAI-HKUYNNGSSA-N 304.478 2.705 0 50 DFAA CCc1nocc1C(=O)N1CCCc2c(OC)cc(OC)cc21 628702048 LBNQGZOKUARPKQ-UHFFFAOYSA-N 316.357 2.847 0 50 DFAA O=S(=O)(Cc1ccn(-c2ccc(Cl)cc2)n1)CC1CC1 185260869 RITPWXJHFCOIOZ-UHFFFAOYSA-N 310.806 2.851 0 50 DFAA CC[C@@H](O)Cn1ncnc1-c1cccc(OC(F)(F)F)c1 822619932 NYXAURXEZXEAHC-SNVBAGLBSA-N 301.268 2.615 0 50 DFAA CO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(Cl)c1Cl 824506799 RDHMZDMXOYXKHH-UWVGGRQHSA-N 305.161 2.529 0 50 DFAA NC[C@H]1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1 269222381 SXNDEQVCFDNAMS-OAHLLOKOSA-N 311.385 2.827 0 50 DFAA COC(=O)c1[nH]c2ccccc2c1CN(C)Cc1cc(C)on1 585136670 PAFWVGGDGNGHQB-UHFFFAOYSA-N 313.357 2.883 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)c1ccccc1NC(C)C 584899105 GBWFVTJJFWREHT-UHFFFAOYSA-N 305.422 2.542 0 50 DFAA Cc1ccccc1NS(=O)(=O)[C@H]1C(=O)[C@H]2C[C@H]1C(C)(C)[C@H]2C 584904288 IENVFXXCBDGHFQ-BCUIYNNISA-N 321.442 2.986 0 50 DFAA C[C@H](NS(=O)(=O)c1ccc(-c2cc[nH]n2)o1)C1=CCCCC1 670473283 RIHRVUJUPZYXQU-NSHDSACASA-N 321.402 2.837 0 50 DFAA CC[C@@]1(C)C=C(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 1775998283 VAVOPFODYLUYMT-KRWDZBQOSA-N 321.442 2.959 0 50 DFAA CCCN(C(=O)NCc1ccc(O)cc1)[C@H]1CCCC[C@@H]1O 1565515422 ZTMCLMXIRLVHAC-HOTGVXAUSA-N 306.406 2.617 0 50 DFAA Cc1nc(C)c(CNC(=O)C2=NO[C@H](c3ccccc3)C2)s1 169997159 ULJLBIAMIYSTIN-AWEZNQCLSA-N 315.398 2.894 0 50 DFAA Cc1cc(NCc2ccccc2CN2CCCC2)n2ncnc2n1 170596990 OWHBFMFAOARFEZ-UHFFFAOYSA-N 322.416 2.641 0 50 DFAA O=C1CNC(=O)N1CCCCc1ccc(Cl)cc1Cl 170614052 ZPKPMBPZUSXTSE-UHFFFAOYSA-N 301.173 2.868 0 50 DFAA Cc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)o1 170898755 NIGAACWTEXOWJI-AWEZNQCLSA-N 313.275 2.768 0 50 DFAA Cc1n[nH]c(C)c1CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 195558504 SUIVOBGEVHCNGK-AWEZNQCLSA-N 322.453 2.906 0 50 DFAA CC(F)(F)C(C)(C)NS(=O)(=O)c1ccc2c(c1)CCC2 656186729 QIMPEMAWCLXVFI-UHFFFAOYSA-N 303.374 2.887 0 50 DFAA Clc1ccc(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)cc1 663155460 JJEJBFBVOZULOD-NSHDSACASA-N 315.764 2.900 0 50 DFAA O=C(NCc1cccc(C(=O)O)c1)NC[C@@H]1C[C@H]1c1ccccc1 666549439 VAPWWYDVUJOWCR-IRXDYDNUSA-N 324.380 2.988 0 50 DFAA CC(C)c1nc([C@H]2CCCN2C(=O)NCCc2ccco2)no1 674290872 FDUWLUYOGWZLPX-CYBMUJFWSA-N 318.377 2.875 0 50 DFAA COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(C)nn3)C2)c1 584218522 RAFMUZASMBSMJP-SHTZXODSSA-N 311.385 2.812 0 50 DFAA CN(CCc1nccn1C)Cc1cc(-c2cccs2)n[nH]1 1506420785 KFZFRIZYZZYFOG-UHFFFAOYSA-N 301.419 2.546 0 50 DFAA Cc1nc(-c2nc3ccc(Cl)cn3c2F)n([C@H]2CCOC2)n1 1772812418 INVBSXARXZLOPX-JTQLQIEISA-N 321.743 2.655 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CCC[C@H](C3(O)CC3)C2)c1 1772819832 VBZKOGVVHXPIJU-LBPRGKRZSA-N 309.793 2.726 0 50 DFAA Cc1n[nH]cc1C(=O)N1CCO[C@H](CCCc2ccccc2)C1 11819462 DWIVNWWRKRRCQD-MRXNPFEDSA-N 313.401 2.582 0 50 DFAA COc1ccccc1C(=O)NCC(=O)Nc1cccc(C)c1C 15535238 ZTKBXVSQXVHSKN-UHFFFAOYSA-N 312.369 2.681 0 50 DFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(c3nc(C)cnc3C)C[C@H]12 1857717135 WXTCOJMRRFQUHK-DDWPSWQVSA-N 315.417 2.531 0 50 DFAA CCOC(=O)c1cnc2c(CC)cccc2c1NC[C@H](C)O 131537 ZZAIYHMIAAWMQV-NSHDSACASA-N 302.374 2.767 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)c3ccc4ncsc4c3)C2)n1 603880552 OMSOTNSSXSMRLC-UHFFFAOYSA-N 312.398 2.807 0 50 DFAA Cc1c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)[nH]c2c(Cl)cccc12 412326221 ZVLUBOQWHFQBFH-BXKDBHETSA-N 319.792 2.527 0 50 DFAA Cc1scc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)c1C 333232107 CFVYEZRWNRXQMN-HOCLYGCPSA-N 322.474 2.723 0 50 DFAA C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@H](CN(C)C)C1 129976900 QNIYBRWVCDOJQL-CKEIUWERSA-N 301.434 2.513 0 50 DFAA Cc1cc2cc(C(=O)N3CCC[C@H](C(=O)O)C3)oc2cc1C 136167359 LTDZPZNWBROUCW-LBPRGKRZSA-N 301.342 2.986 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1 253369661 GLKORGBKYOZXPG-BYNSBNAKSA-N 312.479 2.917 0 50 DFAA COc1ccc2c(c1)CC[C@@H](NC(=O)c1ncc(C)cc1C)C2 784162025 KZZWTVRLTJQWIX-MRXNPFEDSA-N 310.397 2.994 0 50 DFAA CN1CC[C@H](N(C)Cc2csc(Nc3ccccc3)n2)C1=O 265617423 ABTYJJAVFPXGGG-AWEZNQCLSA-N 316.430 2.549 0 50 DFAA NC(=O)c1cc(N2CCc3cc(C(F)(F)F)ccc3C2)ccn1 858799252 FLUVESKTCDXWBR-UHFFFAOYSA-N 321.302 2.762 0 50 DFAA NC(=O)c1cc(NCC2CCN(Cc3ccccc3)CC2)ccn1 172058958 VLGHQCPDLYUUMR-UHFFFAOYSA-N 324.428 2.505 0 50 DFAA C[C@H]1C[C@H]1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1 1857798608 QSFWXAXLJRZEMC-GZMMTYOYSA-N 312.391 2.636 0 50 DFAA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2)NC(=O)N1 302370 FFQAUKBNNFOSNR-ZDUSSCGKSA-N 306.337 2.795 0 50 DFAA COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 514353 XDZSRUZAHUUXBA-CYBMUJFWSA-N 315.369 2.788 0 50 DFAA CCOCCc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 2876256 KPDSJVCWDILKDX-LLVKDONJSA-N 321.402 2.523 0 50 DFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 4011948 BISWNYOCHHDZNZ-SQNIBIBYSA-N 323.392 2.691 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)cc1 9668773 BQWVCHOCJBWUBG-HNNXBMFYSA-N 320.352 2.867 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2nc(C)c[nH]2)c1 55109301 CLCDCNFABGFUKS-CQSZACIVSA-N 301.390 2.761 0 50 DFAA Cc1cccc(O[C@@H](C)CNC(=O)N[C@H](C)C2CCOCC2)c1 134785773 YSQGQWDJBYYXLU-LSDHHAIUSA-N 320.433 2.877 0 50 DFAA Cc1nc(CC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)cs1 65370811 AGDKOQWIOLTEGI-SNVBAGLBSA-N 302.399 2.634 0 50 DFAA O=C(CCCOCc1ccccc1)N[C@@H]1CCN2CCCC[C@@H]12 229237358 QHCQSONDWYODCQ-MSOLQXFVSA-N 316.445 2.726 0 50 DFAA COc1ccc(-n2nc(C(=O)NCC[C@H](C)F)cc2C)cc1 328593296 ZRNSOUXFJQCFBF-NSHDSACASA-N 305.353 2.667 0 50 DFAA COC(=O)c1cc(CN(C)C(=O)[C@@H](C)c2ccccn2)oc1C 328589975 QGNQJJKIVNLSMM-NSHDSACASA-N 316.357 2.532 0 50 DFAA Fc1cc(CNC[C@H]2CCc3nccn3C2)c2ncccc2c1 328631398 KMUZLGKKGFYEBW-CYBMUJFWSA-N 310.376 2.923 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](C(=O)O)C1 136133505 MKKBWTGXMCNQFH-QWHCGFSZSA-N 305.374 2.512 0 50 DFAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1ccc2cc[nH]c2c1 328623416 JCUSWZAITWAYQH-CYBMUJFWSA-N 308.385 2.699 0 50 DFAA CCCCN(CCCC)CC(=O)N(C)c1ccccc1C(N)=O 22015706 IWGDBWSNNKRHSN-UHFFFAOYSA-N 319.449 2.651 0 50 DFAA CN1CCN(CC[C@H]2CCCCN2Cc2ccccc2)CC1 65382988 RXSCTTVBVZVZEK-LJQANCHMSA-N 301.478 2.679 0 50 DFAA C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)c2ccc[nH]2)C1 67540542 OIKSSRRCEQIUQK-YVGNARHYSA-N 313.401 2.763 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1nccs1 65381806 JYBMDMAWGYBKSO-LBPRGKRZSA-N 306.435 2.646 0 50 DFAA CC(C)(CCCc1ccccc1)C(=O)N1CC[C@@H](C(=O)O)C1 236586760 DHLUCDUNCNRXHV-OAHLLOKOSA-N 303.402 2.969 0 50 DFAA O=C(N1CC[C@@H]1C1CC1)C1(c2cccc(F)c2)CCOCC1 452996770 UILHNJWGKMBEJZ-MRXNPFEDSA-N 303.377 2.885 0 50 DFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(CN)CC1 237730246 NFBVKIKVVPULKQ-UHFFFAOYSA-N 315.442 2.929 0 50 DFAA COCc1ncc(C(=O)N2CCc3cc(OC)ccc32)s1 285312007 VTRJYWHTNUCLIC-UHFFFAOYSA-N 304.371 2.501 0 50 DFAA O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)C1=CCCC1 355854807 QKKUKQHEFRJRJH-KBPBESRZSA-N 308.422 2.887 0 50 DFAA COc1ccc(CNc2ncnc3sccc23)c(OC)n1 356966744 BBZOKDGFCBCSTH-UHFFFAOYSA-N 302.359 2.716 0 50 DFAA O=C1NCCN1CCN1CCC[C@H]1[C@H]1CCCc2ccccc21 368007362 FMTCZQXPAXFIAZ-ROUUACIJSA-N 313.445 2.596 0 50 DFAA CC(=O)NC1CCC(Nc2ccccc2O[C@@H]2CCOC2)CC1 133848505 BKDMIUMZGYMGSX-UYSNPLJNSA-N 318.417 2.714 0 50 DFAA CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(OC(F)F)cc1 247013242 RSCLDYDZLMEKRP-KBPBESRZSA-N 324.371 2.987 0 50 DFAA CN(C(=O)c1csc(CCN)n1)C1C2CC3CC(C2)CC1C3 262132369 LOYQGWVADXMHOY-UHFFFAOYSA-N 319.474 2.541 0 50 DFAA NC1(C(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)CC1 72166347 XPYZJXWENYVXGX-KRWDZBQOSA-N 322.408 2.752 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 247123772 MVMQZQBEVTZZPQ-WCQGTBRESA-N 313.228 2.904 0 50 DFAA CC(C)c1nc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)no1 72146313 WWLBHDKGCWCBRK-LSDHHAIUSA-N 306.454 2.889 0 50 DFAA CN(CCN(C)C1CCCCC1)C(=O)c1cccc(C(=O)O)c1 263403558 HFUFFNYOEKNFQX-UHFFFAOYSA-N 318.417 2.721 0 50 DFAA Cc1cnccc1CN(C)C(=O)[C@H](C)n1cnc2ccccc21 220721969 IRYLGBMVFCTUJW-AWEZNQCLSA-N 308.385 2.959 0 50 DFAA C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)c1cc2ccccc2s1 177561171 WVEBUROUQSPQBL-PWSUYJOCSA-N 302.399 2.605 0 50 DFAA Cn1ccc2c(C(=O)NCC3CCC(C(=O)O)CC3)cccc21 49545901 QVUJSYLVJRMETD-UHFFFAOYSA-N 314.385 2.799 0 50 DFAA C[C@@H](NC(=O)c1cnn(C)c1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 614492977 TYVOWHXXMCQXCS-VPOLOUISSA-N 315.339 2.993 0 50 DFAA CN1CC[C@H](CNC(=O)N(C)CCCSc2ccccc2)C1 426612237 DLKBAMOZFJGASC-OAHLLOKOSA-N 321.490 2.762 0 50 DFAA Cn1c(CCNC(=O)N2CCC(F)(F)CC2)nc2ccccc21 426503589 ROUAVZKJMLGVEP-UHFFFAOYSA-N 322.359 2.557 0 50 DFAA O=C(CN1CCC[C@@H]1c1cccnc1)NCC1CCCCC1 346972903 NUQDMBXTGTUVOG-QGZVFWFLSA-N 301.434 2.915 0 50 DFAA CN(C)C(=O)c1ccc(CN2CCC[C@@H]2c2nccs2)o1 244866624 VZHDMOXYNPNTNY-GFCCVEGCSA-N 305.403 2.775 0 50 DFAA O=C(Nc1ccn2ccnc2c1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 297260730 XYUVQJQERUNHSI-DOTOQJQBSA-N 312.373 2.510 0 50 DFAA C[C@H](c1cnccn1)N1CCC(OC[C@@H]2CCCCO2)CC1 184606040 LLWPPUWUYLJHPF-ZBFHGGJFSA-N 305.422 2.588 0 50 DFAA CC(C)c1nc(C(=O)N2CCc3ccccc3[C@H]2CO)cs1 185716228 NQGLFDROHAGBPJ-OAHLLOKOSA-N 316.426 2.998 0 50 DFAA Cc1cccc(-n2cc(CN(C)CCc3nccn3C)cn2)c1 670440423 RWLVWYRUXBCDRN-UHFFFAOYSA-N 309.417 2.589 0 50 DFAA Cc1ccc(NC(=O)CCN2CC[C@H]3CC[C@@H](C2)N3C)cc1F 72493130 XTQFGKJWXFXWGB-CVEARBPZSA-N 319.424 2.631 0 50 DFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)c1ccncc1Cl 1875289295 FTRUPYFEDNBFEN-TZMCWYRMSA-N 316.744 2.778 0 50 DFAA CC(C)c1ccoc1C(=O)N(Cc1nn[nH]n1)C1CCCC1 1875324311 RJQPPMBYEAZVJP-UHFFFAOYSA-N 303.366 2.501 0 50 DFAA CC1(C)CC(=O)c2cc(OC[C@H]3C[N@@]3CC3CC3)ccc2O1 1875382008 NLIJZJPZYWUZFI-BFUOFWGJSA-N 301.386 2.903 0 50 DFAA CC(C)O[C@@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1(C)C 879499588 ZNPWKHTZKZZITQ-HUUCEWRRSA-N 301.390 2.656 0 50 DFAA CCn1ncc2c1CCC[C@H]2NCc1ccnc(OC)c1F 893046867 LUSFTOUPIYJPLX-CYBMUJFWSA-N 304.369 2.613 0 50 DFAA Brc1ccnc2[nH]c(I)cc12 82046960 XYODINKLTLGRTD-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro CCN(C(C)=O)c1nc(CN2CCn3cccc3[C@@H]2C)cs1 170130708 DBOPTTWNSNQNMQ-LBPRGKRZSA-N 318.446 2.894 0 50 DFAA Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cc(Cl)cn1C 408514996 CBSQEGFLRSEBOW-UHFFFAOYSA-N 315.204 2.646 0 50 DFAA C[C@H]1C[C@@H](CC(=O)N2CCN(CC(C)(C)O)CC2)CC(C)(C)C1 170622056 TXAPSWXYABNRAE-HOTGVXAUSA-N 324.509 2.754 0 50 DFAA CCOC(=O)CC1(NC(=O)COc2cccc(C)c2)CCCC1 225727389 QLSCPXBOGHPGBX-UHFFFAOYSA-N 319.401 2.756 0 50 DFAA C[C@H](Cc1cccs1)NC(=O)N[C@H]1c2ccccc2C[C@H]1O 171332044 MAHAVIOAZCXICG-LYRGGWFBSA-N 316.426 2.637 0 50 DFAA CCO[C@H](CNC(=O)N1CCCO[C@@H](C)C1)c1ccccc1 195187440 NNFBBWGQKNGGHX-GOEBONIOSA-N 306.406 2.585 0 50 DFAA CCOC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)on1 598306734 XNDDQCXBJCSFIZ-CHWSQXEVSA-N 314.341 2.527 0 50 DFAA CC[C@@H](C)Oc1cc(-c2nc(CCC[S@@](C)=O)no2)ccn1 585120473 PBTKJLOKZNJWTR-RKFFSXRUSA-N 323.418 2.620 0 50 DFAA CN(Cc1cccc2cccnc12)C(=O)CCCc1cn[nH]c1 1506421131 XNQCPCSDDROISC-UHFFFAOYSA-N 308.385 2.939 0 50 DFAA CCN1CCC[C@@H]1CN1CCC(OCc2cccnc2)CC1 1506423648 GXIIZPCKEPLNQW-QGZVFWFLSA-N 303.450 2.547 0 50 DFAA Cc1cc(O)ccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529168098 XFMLEJRVJSGAIN-GEEKYZPCSA-N 316.445 2.891 0 50 DFAA COCCC(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1 11818659 FAGMDLGRQVRXMZ-KRWDZBQOSA-N 313.397 2.646 0 50 DFAA CN(C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1)C(C1CC1)C1CC1 12089923 OWVWIAHXYOYYFM-OAHLLOKOSA-N 318.461 2.815 0 50 DFAA CC[C@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 16577740 NBNRNESURFOFMR-VIFPVBQESA-N 306.225 2.667 0 50 DFAA CC(C)NC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169759634 VZFNKLHBBRJECB-HNNXBMFYSA-N 319.792 2.946 0 50 DFAA c1ccc(-c2nc(-c3nccn3CC[C@@H]3COCCN3)co2)cc1 1857682226 SGXWOASDLINBOH-OAHLLOKOSA-N 324.384 2.584 0 50 DFAA COc1ccc(-c2nccn2[C@@H]2CC[C@@H](N)C2)c(OC)c1OC 1857697378 SHJZMVRFWFLYEJ-VXGBXAGGSA-N 317.389 2.628 0 50 DFAA Cc1nc(-c2nccn2[C@H](C)c2nc(CC(C)C)no2)cn1C 1857740600 LUZUNAYAHZGZOK-LLVKDONJSA-N 314.393 2.783 0 50 DFAA O[C@]1(C(F)(F)F)CCCN(Cc2nc(C3CCCC3)no2)C1 407950678 DTSCMGJDBCSKNY-CYBMUJFWSA-N 319.327 2.616 0 50 DFAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)c2ccccc21 321783031 RVFOECKYQXHDQD-CZUORRHYSA-N 307.349 2.931 0 50 DFAA Cc1cc(F)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1F 237649527 VHTGBOYWMXHRMF-LLVKDONJSA-N 311.328 2.990 0 50 DFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCOc3ccccc32)cc1 238115257 LAKINPVPMSSBST-OAHLLOKOSA-N 311.337 2.567 0 50 DFAA C=CC(=O)N(CC)CC(=O)Nc1ccc2cnn(C(C)C)c2c1 900481551 RYXKYOHQTHDPLR-UHFFFAOYSA-N 314.389 2.590 0 50 DFAA CNC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1 930559381 PDVBZIWEXLPQLW-MRXNPFEDSA-N 324.384 2.810 0 50 DFAA O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 2942862 HOAGIWXMGSTBLK-UHFFFAOYSA-N 320.751 2.777 0 50 DFAA NC1CCN(Cc2cnc(-c3cccc4c3CCCC4)cn2)CC1 2325796654 AYIQEGCFPNEYKZ-UHFFFAOYSA-N 322.456 2.946 0 50 DFAA COc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 136505 HNVPDWCKQHVXQB-UHFFFAOYSA-N 319.382 2.745 0 50 DFAA Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 276456 RLPSEUOQZSTRPI-UHFFFAOYSA-N 316.426 2.506 0 50 DFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCc1cccc(CO)c1 2356134478 OULLBJZBXLVHQU-UHFFFAOYSA-N 324.336 2.566 0 50 DFAA COC(=O)c1ccc(CN2CCC3(C=C(C)CCO3)CC2)o1 2356140645 NHKBSMCOHBDMDD-UHFFFAOYSA-N 305.374 2.767 0 50 DFAA COc1cccc(NC(=O)C(=O)NCc2ccccc2Cl)c1 2993883 VDEVZBHJSLMTCF-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA COc1cccc2cc(C(=O)N[C@H](C)c3ccncc3)c(=O)oc12 6715679 RACUKNRYZCPUHR-LLVKDONJSA-N 324.336 2.688 0 50 DFAA O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccccc2)C1 9235877 DBFQRCJSNSUWKE-NSHDSACASA-N 316.307 2.956 0 50 DFAA CCc1ccc(CN2CCN(CC=C(C)C)[C@@H](CCO)C2)o1 20210980 CISXTCQTOSUPPS-INIZCTEOSA-N 306.450 2.677 0 50 DFAA O=C(Cc1cccc(Cl)c1)NCc1ccc2c(c1)OCO2 67785433 DLBSGBZGNFWZJC-UHFFFAOYSA-N 303.745 2.928 0 50 DFAA CN(C(=O)c1nc(O)c2ccccc2n1)C1Cc2ccccc2C1 67869313 AHOGVGCOGNSUBI-UHFFFAOYSA-N 319.364 2.575 0 50 DFAA Cn1c([C@@H]2CCCN2C(=O)C2CCOCC2)nc2ccccc21 68002399 CAFQEIWWAIPAPL-INIZCTEOSA-N 313.401 2.663 0 50 DFAA C[C@@H](c1nccs1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 65382117 NBSCZDWXZHSWNO-NSHDSACASA-N 313.386 2.557 0 50 DFAA Cc1nnc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)s1 252539455 OAICLWPTRPIERL-CHWSQXEVSA-N 310.373 2.982 0 50 DFAA CC(=O)N1CCC(NCCOc2c(C)cc(C)cc2C)CC1 32590563 OACUTIMKXOUACA-UHFFFAOYSA-N 304.434 2.591 0 50 DFAA Cc1ccc2oc(S[C@@H](C)c3nnnn3C3CC3)nc2n1 330108618 NVVBYVQZRVNKMC-QMMMGPOBSA-N 302.363 2.706 0 50 DFAA CN(C)[C@@H](C(=O)N1C[C@H]2CC=CC[C@H]2C1)c1cccc(F)c1 72164609 KVNGYUOWBWZRPO-HLLBOEOZSA-N 302.393 2.853 0 50 DFAA CC(=O)N(C[C@@H]1CCCN1C[C@@H](O)c1ccc(C)cc1)C1CC1 328623631 CABNXGGOCJTOCW-RBUKOAKNSA-N 316.445 2.504 0 50 DFAA COc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 39442367 RFJRGWCVACRFCX-GOSISDBHSA-N 318.461 2.506 0 50 DFAA Cn1cc(C[C@@H]2CCN(C(=O)Nc3ccc(F)cc3F)C2)cn1 363134554 ISYWYPRCVMMEFA-NSHDSACASA-N 320.343 2.795 0 50 DFAA Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H]1CCCC12CCOCC2 374467648 BFYHWJPXQPDOAB-WBMJQRKESA-N 319.449 2.671 0 50 DFAA CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@@H]2CCSC2)no1 365556289 JJXUHBNIFFXLIN-NWDGAFQWSA-N 324.450 2.793 0 50 DFAA CC(C)[C@@H]1C[C@@H](CNS(=O)(=O)c2cnc[nH]2)c2ccccc21 333332067 RDAUTWDORPWESB-WFASDCNBSA-N 319.430 2.615 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@H]1CCO[C@H]1C 241930354 UHXCAZHCKZPLCJ-BJJXKVORSA-N 303.402 2.656 0 50 DFAA O=C(c1ocnc1C1CC1)N1CC[C@H](n2cc3ccccc3n2)C1 377567243 WNQRRAQOSLIDTM-AWEZNQCLSA-N 322.368 2.989 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 238016824 PKPJGFHUTFJHKX-GFCCVEGCSA-N 300.358 2.885 0 50 DFAA COCCN(Cc1cccc(F)c1F)Cc1c(C)nn(C)c1C 453624675 YVMYPYQMVAHEMH-UHFFFAOYSA-N 323.387 2.964 0 50 DFAA CCC[C@@H](CC(=O)O)NC(=O)c1cccc(OC(F)F)c1 135730321 KWYHETDGUFWFRF-JTQLQIEISA-N 301.289 2.661 0 50 DFAA COc1cc(C)c(N2C(=O)NC3(CCCCC3)C2=O)cc1F 286507354 RNOOXTODTNMIRG-UHFFFAOYSA-N 306.337 2.902 0 50 DFAA COc1ccccc1C1CCN(C(=O)[C@H](O)CCSC)CC1 222477379 NXAISFKZTXXHLX-OAHLLOKOSA-N 323.458 2.515 0 50 DFAA CC1=CCN(C(=O)Nc2ccccc2CC(=O)N(C)C)CC1 426517568 KEHKJNIRSSLDJL-UHFFFAOYSA-N 301.390 2.501 0 50 DFAA O=C(O)C[C@@H]1CCCCN1C(=O)c1cccc(-c2cn[nH]c2)c1 426509852 BYPFHMUZCGMPKN-HNNXBMFYSA-N 313.357 2.546 0 50 DFAA O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@H]1C[C@@H]1C1CC1 177539746 KXVUCZJKQINOPM-KGLIPLIRSA-N 316.792 2.964 0 50 DFAA O=C1CCCN1CC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 95507653 CDYGPLVXWPMLDJ-AWEZNQCLSA-N 320.820 2.668 0 50 DFAA CCN1C[C@H](c2ccccc2)CC2(CCN(CCCO)CC2)C1 91305750 OZJWTPLRZXWCQF-LJQANCHMSA-N 316.489 2.960 0 50 DFAA COc1cccc(N2CCN(C[C@@H]3CC=CCC3)CC2=O)c1 97743432 QVUKHNGBESNPFY-OAHLLOKOSA-N 300.402 2.700 0 50 DFAA Cc1noc(C)c1CCCNC(=O)[C@@H](C)n1ccnc1C(C)C 95390585 UEXHCKLOFFDOQH-CYBMUJFWSA-N 318.421 2.921 0 50 DFAA CNc1cc(C(=O)NCCSCc2ccccc2)ccn1 97212975 DFBNYARYJITWAF-UHFFFAOYSA-N 301.415 2.787 0 50 DFAA C[C@@H](CNc1ncc(F)c(N(C)C)n1)N(C)c1ccccc1 95378978 MMLOGFMQYJCCSB-LBPRGKRZSA-N 303.385 2.619 0 50 DFAA CN(Cc1nnc[nH]1)Cc1ccc(-c2c(F)cccc2F)o1 179793042 GIMVSEPLYYKYKH-UHFFFAOYSA-N 304.300 2.975 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)o1 180157684 LFRBUOBUUCTHJE-FZMZJTMJSA-N 307.296 2.814 0 50 DFAA COc1nccnc1CNC1(c2noc(C(C)C)n2)CCCC1 294689832 AHHWXFOKUZBBSG-UHFFFAOYSA-N 317.393 2.551 0 50 DFAA Cc1ccc(C)n1CCC(=O)Nc1ccc2ncnc(O)c2c1 253623844 QGCBNRVLIKQDRA-UHFFFAOYSA-N 310.357 2.783 0 50 DFAA Cc1ccc([C@H]2OCCC[C@H]2C(=O)N(C)CCCC(=O)O)cc1 299750779 OJAACGWVJLBNCM-NVXWUHKLSA-N 319.401 2.786 0 50 DFAA O=C(NCc1cccc(Cl)c1F)N1CCCC[C@@H]1CO 534666169 ZEDLXSNHQHHHKW-LLVKDONJSA-N 300.761 2.536 0 50 DFAA Cn1ccnc1[C@@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)C1CC1 534582514 PWVNPHXASRMHRT-INIZCTEOSA-N 321.384 2.691 0 50 DFAA CCc1nccn1CCCn1cnc2ccc(Cl)cc2c1=O 584896065 VBQOQPDFQSMARN-UHFFFAOYSA-N 316.792 2.899 0 50 DFAA O=Cc1cc(I)ccc1Br 66352311 AOWLJNHNEZGEOG-UHFFFAOYSA-N 310.916 2.866 0 50 DFAA in-vitro CCO[C@H](C)c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 274116860 WCNYRSDBSYTJCQ-TZMCWYRMSA-N 315.373 2.683 0 50 DFAA Cc1ccccc1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 275326113 DIRCCTSPXHDAIB-PKOBYXMFSA-N 310.397 2.969 0 50 DFAA C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](c3nnc(N)o3)C2)CC(C)(C)C1 585131397 UTHJEROCXYCTHY-FRRDWIJNSA-N 320.437 2.820 0 50 DFAA CCN(C[C@@H]1CCCCO1)C(=O)Cc1nc2ccccc2o1 1506427930 VKUZCADOSFVLTA-ZDUSSCGKSA-N 302.374 2.788 0 50 DFAA Cc1ccc(N2CCC(NCCC(=O)N3CCCC3)CC2)cc1 1506400035 SNFJJJQQYOZMSJ-UHFFFAOYSA-N 315.461 2.566 0 50 DFAA CCCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 5310567 PNRXINXFDMOFCG-UHFFFAOYSA-N 321.388 2.503 0 50 DFAA CC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2)c1 12138698 HBIJLVUUADPMSX-UHFFFAOYSA-N 313.382 2.772 0 50 DFAA O=C(Cc1n[nH]c2ccccc12)Nc1cccc(-n2cccn2)c1 19143804 LADYMTYTOJNTGR-UHFFFAOYSA-N 317.352 2.930 0 50 DFAA CCN1CCC[C@@H](CN(C)Cc2cc(-c3cccnc3)no2)C1 19836396 ILZIDLWYZUHSIK-HNNXBMFYSA-N 314.433 2.900 0 50 DFAA COc1cccc2c1OC[C@@H](Cn1ccnc1-c1nccn1C)C2 1857671854 UCWVAXMLEURNSK-CYBMUJFWSA-N 324.384 2.544 0 50 DFAA Cc1cc(N2CCc3c(-c4ccccc4)nn(C)c3CC2)ncn1 1857672977 KTAZIAXPYSVEMA-UHFFFAOYSA-N 319.412 2.791 0 50 DFAA COc1ccc([C@H](C)N(C)Cc2cn(C)c(C)n2)c(OC)c1 1857686494 YXSOJBSLNROBCO-LBPRGKRZSA-N 303.406 2.939 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2ccnc(OC)c2)C[C@H](C2CC2)O1 1857719230 HLQVDWWABLMJAP-HZPDHXFCSA-N 318.417 2.900 0 50 DFAA CCC[C@@]1(CO)CN(c2ccnc3ccccc23)CC[C@H]1O 1857738938 FSFLVWTUWACHCR-MSOLQXFVSA-N 300.402 2.585 0 50 DFAA Clc1cc2c(I)n[nH]c2c(Cl)n1 306660437 QGTZDOPYMSODBC-UHFFFAOYSA-N 313.913 2.869 0 50 DFAA C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@@H](n3ccnn3)C2)C1(C)C 333341892 YFKLDDNJNZURKD-VBQJREDUSA-N 304.438 2.904 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CCC(F)(F)F 237644739 ATBGRICPKVMVJF-NSHDSACASA-N 303.280 2.970 0 50 DFAA CC(C)c1cc(C(=O)Nc2cccc(CCC(=O)O)c2)n[nH]1 262426038 RQFGENMBPUCLAN-UHFFFAOYSA-N 301.346 2.803 0 50 DFAA CC1(C)CCCC[C@@H]1CC(=O)NCC1CCS(=O)(=O)CC1 162141505 OJVBIEWLWKYEMZ-CQSZACIVSA-N 315.479 2.534 0 50 DFAA CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2cnn(C)c2)c1C 390833491 IDQIAZHYXAIUED-WDEREUQCSA-N 304.398 2.779 0 50 DFAA O=C(c1ccc(OC(F)F)nc1)N1CC[C@@H](c2cccnc2)C1 823470709 SBDJCIOYGKBJPD-CYBMUJFWSA-N 319.311 2.708 0 50 DFAA CC(C)(C)n1nccc1NC(=O)NCc1cc(C(F)F)on1 930926857 UMESTZJXMKPWQU-UHFFFAOYSA-N 313.308 2.885 0 50 DFAA O=C(O)[C@H](CNCc1cccc(Cl)c1F)C1CCOCC1 863742105 DBQICCYWOWUXQB-GFCCVEGCSA-N 315.772 2.696 0 50 DFAA CC(=O)c1cccc(CNC(=O)N[C@@H](C)CN2CCCCC2)c1 864094225 LPBPXBJLOBIYKY-AWEZNQCLSA-N 317.433 2.563 0 50 DFAA C[C@@H](CNC(=O)[C@@H](C)CCN(C)C)COCc1ccccc1 952994738 UQXRGOKFEQYAPH-HOTGVXAUSA-N 306.450 2.543 0 50 DFAA CN(CCN1C(=O)C[C@@H](c2ccccc2)NC1=O)c1ccccc1 1875290030 KJUINWYLJHELNJ-KRWDZBQOSA-N 323.396 2.806 0 50 DFAA CC(=O)NC1(c2ccc(OC[C@@H]3C[N@@]3CC(C)C)cc2)CC1 1875385475 UFIGEHJXHIZZPP-OXJNMPFZSA-N 302.418 2.531 0 50 DFAA C=CC(=O)N(Cc1ccc2c(c1)OCCO2)CC(F)(F)F 1875366506 QIKABUBATPPFEP-UHFFFAOYSA-N 301.264 2.535 0 50 DFAA c1cncc(CNCc2cc(-c3ccc4c(c3)OCO4)no2)c1 4710473 FNFPHXNJMBTEJW-UHFFFAOYSA-N 309.325 2.755 0 50 DFAA O=C(NCc1ccco1)c1nc(-c2ccc(Cl)cc2)no1 6743200 SBAPTAISYYSBGF-UHFFFAOYSA-N 303.705 2.913 0 50 DFAA CC[C@H](C)CC[C@H](O)CC(=O)N1CCC12CCC(CO)CC2 2325741205 PZCZTSIMQGSBIG-VUGNNNGISA-N 311.466 2.717 0 50 DFAA CC(C)[C@]1(C(=O)O)CCN(C(=O)c2coc3cccc(O)c23)C1 2325762909 ATBUUEMWYHQINV-KRWDZBQOSA-N 317.341 2.711 0 50 DFAA O=C1CC[C@H](NC[C@@H]2CCN2C2CC2)c2cc(Cl)ccc2N1 2325773829 JGDRNZOEQIVFEX-ZFWWWQNUSA-N 319.836 2.940 0 50 DFAA Cc1cc(C)cc(C2(C(=O)N[C@H](C)C(C)(C)C(=O)O)CC2)c1 2325790708 CMLZLBFBYHXODZ-CYBMUJFWSA-N 303.402 2.951 0 50 DFAA Cc1nn(-c2ccccc2)nc1CN1CC(Cc2ccco2)C1 2325859992 SUTZBMWWTWUMGG-UHFFFAOYSA-N 308.385 2.843 0 50 DFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 143421 ZJHJSWBVYKGRFH-UHFFFAOYSA-N 322.386 2.562 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(C)n3C)cc1 255248 KMRQTKCSEXESBS-UHFFFAOYSA-N 315.398 2.991 0 50 DFAA COc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 454394 OIPYAGSYDQQVHN-UHFFFAOYSA-N 311.790 2.827 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 620791 GCUYMHSTOCGZDS-UHFFFAOYSA-N 322.361 2.893 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(Cc3ccccc3C(=O)O)C[C@H]21 2356157194 DTNKLGGXHXPOIQ-LESCRADOSA-N 303.402 2.758 0 50 DFAA Cc1ccc(CN2CCC[C@]23CCCNC3=O)c2cccnc12 2356166313 SFQONCHACWLQGC-IBGZPJMESA-N 309.413 2.788 0 50 DFAA COC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)o1 4512915 UKBHSGFMKSNJFQ-UHFFFAOYSA-N 314.750 2.664 0 50 DFAA O=C(Nc1ccnn1Cc1cccc(Cl)c1)[C@@H]1CCCO1 55271610 ZXNGIZNTGDDELJ-ZDUSSCGKSA-N 305.765 2.702 0 50 DFAA c1ccc2c(c1)CC[C@H](NCc1ccccc1-n1cncn1)C2 65421077 HQCQPMKKWIFSPR-SFHVURJKSA-N 304.397 2.914 0 50 DFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCSCC3)cc2)n1 61403769 ADFZWXWDZHGQLC-UHFFFAOYSA-N 315.442 2.737 0 50 DFAA CC(=O)Nc1cccc(C(=O)N(C)CC[C@@H](C)N2CCCC2)c1 67843083 NFAJTOMDMAALOX-CQSZACIVSA-N 317.433 2.591 0 50 DFAA O=C(c1cc[nH]n1)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 67804008 APYYWPPGTTYPLB-CQSZACIVSA-N 321.384 2.820 0 50 DFAA CN(C)CCNCCOc1ccc(OCc2ccccc2)cc1 20418854 BMRIRDGETSKCGW-UHFFFAOYSA-N 314.429 2.796 0 50 DFAA COc1cc(-c2nc(Cn3ccnc3)c(C)o2)cc2c1OCO2 67675150 XILSCFXHINCSEV-UHFFFAOYSA-N 313.313 2.632 0 50 DFAA Cc1ccc2nc(CNC[C@@]3(N(C)C)CCSC3)[nH]c2c1C 67673396 NLDBJZWHOBFYOK-KRWDZBQOSA-N 318.490 2.707 0 50 DFAA CC1(C)CC(NC(=O)c2scc3c2OCCO3)CC(C)(C)N1 98738 APXABDXKZCFSJQ-UHFFFAOYSA-N 324.446 2.558 0 50 DFAA O=C(NC[C@H]1CCCO1)c1ccc(COCC(F)(F)F)cc1 2752565 WWPQJOZSWABMQX-CYBMUJFWSA-N 317.307 2.674 0 50 DFAA O=C([C@H]1CCCOC1)N1CCC[C@H]1COc1ccc(F)cc1 328586418 QDZKHVGGGLPTNG-ZFWWWQNUSA-N 307.365 2.622 0 50 DFAA O=C(NCc1nnc2ccccn12)[C@@H](c1ccccc1)C1CC1 120746481 UMMJTGQTPXUMNR-KRWDZBQOSA-N 306.369 2.539 0 50 DFAA CC(C)(C)OC(=O)[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1 121673557 DEAQRCZLKWGOAH-NWDGAFQWSA-N 319.323 2.582 0 50 DFAA O=C(O)C[C@H](NC(=O)c1noc2c1CCCC2)c1cccs1 238030486 RJTSVQOAMSVWAP-JTQLQIEISA-N 320.370 2.561 0 50 DFAA CC(C)(C)c1cc2c(O)nc(CCn3ccnn3)nc2s1 253536845 FLDTVJWVHXTCLF-UHFFFAOYSA-N 303.391 2.529 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)CC1 72172435 MSASHSLZIOTTQG-AWEZNQCLSA-N 315.392 2.930 0 50 DFAA CCN1CC[C@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)C[C@H]1C 239352759 ADLBMWXQSMXSFM-OLZOCXBDSA-N 319.453 2.768 0 50 DFAA COc1ccc(CN(C)C[C@@H]2CCN(C)C2(C)C)cc1C(=O)O 214987644 HRUKZAWWAHMAEY-AWEZNQCLSA-N 320.433 2.556 0 50 DFAA C[C@]1(CNC(=O)Nc2ccccc2N2CCCC2)CCCO1 129896218 DZUVZXDSMUUVIP-QGZVFWFLSA-N 303.406 2.977 0 50 DFAA CC(C)(CCC(=O)N1CCC[C@@](O)(C(=N)O)C1)c1ccccc1 330580718 RJOPDTGKPVHCPG-SFHVURJKSA-N 318.417 2.633 0 50 DFAA O=c1c2ccccc2nc(S)n1[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 240756946 HVQGCHSMDJJGAI-IACUBPJLSA-N 314.410 2.815 0 50 DFAA CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1 34926390 FHXXQBAKIWMBRW-JKSUJKDBSA-N 315.413 2.825 0 50 DFAA COCc1ncc(CN(C)Cc2cc(-c3ccccc3)no2)cn1 72168209 AUGFBENBTAZVES-UHFFFAOYSA-N 324.384 2.910 0 50 DFAA CCOCCC(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 77298578 QDBAOSLBZJSVBY-CQSZACIVSA-N 309.381 2.870 0 50 DFAA C[C@@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1cn[nH]c1 371088898 RUSVPJHMQNAPPK-GFCCVEGCSA-N 312.373 2.675 0 50 DFAA CN(CC[C@@H]1CCCCN1C)C(=O)c1cccc2cn[nH]c12 172838739 IQFCHASSNLZQJJ-AWEZNQCLSA-N 300.406 2.509 0 50 DFAA Cc1ccc(SCCC(=O)N[C@@H]2CCNC[C@H]2C)cc1C 262700032 ANRRDVXVDHHLDZ-GDBMZVCRSA-N 306.475 2.900 0 50 DFAA O=C(c1ccc2oc(O)nc2c1)N1CC[C@@H](O)c2ccccc2C1 376989037 SLINASBGNVNXFU-OAHLLOKOSA-N 324.336 2.613 0 50 DFAA CC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1C 263012067 HTWAXQYPNJRQDB-UHFFFAOYSA-N 318.373 2.963 0 50 DFAA Cc1ccc2nc(CNC(=O)CC[C@@H](C)N3CCCC3)[nH]c2c1 426544505 UZNUAKNMOXHHEK-CQSZACIVSA-N 314.433 2.752 0 50 DFAA O=C1CCC[C@H](Cc2nc(Cc3c(F)cccc3Cl)no2)N1 290208920 OMSBOUAHAVCAMG-SECBINFHSA-N 323.755 2.664 0 50 DFAA CC(C)c1cc(CSc2nnc(C3CCNCC3)n2C)no1 426545131 UPKLFMOPHSNIEY-UHFFFAOYSA-N 321.450 2.686 0 50 DFAA CS(=O)(=O)Cc1ccc(-c2cc(F)cc3cccnc23)nc1 97743141 BREITZLXYBZHPE-UHFFFAOYSA-N 316.357 2.981 0 50 DFAA COc1ccc(C[C@@]2(C)NC(=O)N(c3ccc(F)cc3)N2)cc1 334160920 OSDJRKYMYPXKEI-KRWDZBQOSA-N 315.348 2.827 0 50 DFAA C[C@@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc(C(=O)O)cc2)O1 237376936 SQRJHUSSTBNFTP-DOMZBBRYSA-N 305.374 2.691 0 50 DFAA O=C(NCC[C@H]1CCCNC1)c1c[nH]cc1-c1ccc(F)cc1 237923812 XGUBOESXSIKMDF-CYBMUJFWSA-N 315.392 2.940 0 50 DFAA c1cc(-c2nc([C@H]3CCOC3)nn2-c2ccncc2)n(C2CC2)c1 97301459 XFKSYZSCHNJPNB-ZDUSSCGKSA-N 321.384 2.970 0 50 DFAA C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)[C@@H]1C[C@H]2CC[C@H]1C2 238997451 AHBGVVDLUMLZGI-DEDCOGGESA-N 305.418 2.674 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)c1cnc(-c2cccnc2)nc1 95354303 DEQQTAVGYXENOE-GFCCVEGCSA-N 324.409 2.961 0 50 DFAA c1ccc2nc(-n3nc([C@@H]4CCOC4)nc3C3CC3)cnc2c1 97716856 NCNMDZBKOODSCG-GFCCVEGCSA-N 307.357 2.592 0 50 DFAA O=C(O)c1cc(Cl)c(Br)nc1Br 91301649 UZLWUHWZLKEKLW-UHFFFAOYSA-N 315.348 2.958 0 50 DFAA Cc1ccc(NC(=O)CN(C)CCC[C@H]2CCCO2)cc1F 244633218 FZGQNPYXDNDQSO-HNNXBMFYSA-N 308.397 2.964 0 50 DFAA c1ccc(CO[C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)nc1 244874241 WXCMKNLSOVNYGN-OAHLLOKOSA-N 314.389 2.523 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H]2C[C@H]1C(=O)N2Cc1ccccc1 601014379 FUSIZZJBCMADAB-GJZGRUSLSA-N 316.401 2.797 0 50 DFAA CO[C@@H]1CCN(C(=O)c2cc3nccnc3cc2F)CC1(C)C 295982933 JSQGVRKVGJTYEF-OAHLLOKOSA-N 317.364 2.656 0 50 DFAA COCCc1ccc2oc(NCc3cn(C)nc3C)nc2c1 181869551 PNRVGZMQNQYEBP-UHFFFAOYSA-N 300.362 2.671 0 50 DFAA C[C@H](NC[C@@H]1CCO[C@H]1c1cnn(C)c1)c1cccc(F)c1 299753984 DXWRNIRPMOTYOM-RVSPLBMKSA-N 303.381 2.988 0 50 DFAA CCOc1ccnc(NC[C@@H]2CCN(C3CCCCC3)C2)n1 534591353 PINBQEOKYUGVPK-AWEZNQCLSA-N 304.438 2.942 0 50 DFAA COCC1(CNC(=O)N2CC(Oc3c(C)cccc3C)C2)CC1 534666996 GFBJJDJEUZCJQG-UHFFFAOYSA-N 318.417 2.503 0 50 DFAA CCNc1nc(C)c(C(=O)N[C@H](C)c2nnc(C(C)C)o2)s1 299762382 UUDYEHFOQBRHSJ-SECBINFHSA-N 323.422 2.881 0 50 DFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)c2ncoc2C)C1 299784401 PCDGIEDVKUBNKR-HNNXBMFYSA-N 313.401 2.543 0 50 DFAA CCc1nccn1C[C@H](C)NCc1noc(-c2cccs2)n1 823557054 AADJVGIFOGILSC-NSHDSACASA-N 317.418 2.735 0 50 DFAA C[C@@H](NC(=O)CCS(=O)(=O)c1ccccc1)C1=CCCCC1 827989640 HQHHFMYWECODDC-CQSZACIVSA-N 321.442 2.856 0 50 DFAA CC[C@H](NC(=O)N1CCCN(c2ccnc(C)c2)CC1)C1CC1 584894324 HJQLDDLUXTYLDC-KRWDZBQOSA-N 316.449 2.800 0 50 DFAA Cc1cc(C)c(CNC(=O)N(C)CCC[C@H]2CCCO2)cn1 584892167 DJIOKMRLRTYOCX-INIZCTEOSA-N 305.422 2.799 0 50 DFAA CCC(=O)Nc1ccc(NC(=O)c2ccc(OC)nc2)c(C)c1 952969655 OMZKYXWUHXGOLE-UHFFFAOYSA-N 313.357 2.999 0 50 DFAA Cc1c(NC(=O)[C@@H]2CCCCCN2C)cccc1C(=O)N(C)C 952868459 PAPCWXVZCCDHKH-INIZCTEOSA-N 317.433 2.510 0 50 DFAA Cc1nc(CCCNC(=O)[C@H]2CC(C(C)C)=NO2)sc1C 952868282 IHLTZICWPPPMGX-CYBMUJFWSA-N 309.435 2.610 0 50 DFAA NC(=O)c1cc(Cl)ccc1OCc1noc(C2CCC2)n1 629107351 NYDSMKDLRQFFMI-UHFFFAOYSA-N 307.737 2.668 0 50 DFAA CCN(CC)CCSCC(=O)Nc1cccc2cnncc12 408516693 PBUVOQZJZPTSSR-UHFFFAOYSA-N 318.446 2.643 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H](C)c2cccs2)cn1 275253546 APAJULTYDCIUDX-CORIIIEPSA-N 319.430 2.714 0 50 DFAA COc1ccccc1[C@H](C)N1CCN(C(=O)C(C)(F)F)CC1 585083602 KYNHHSVJBJOEGH-LBPRGKRZSA-N 312.360 2.556 0 50 DFAA COC(=O)C[C@H]1CCCN1C(=O)c1ccccc1-c1ccncc1 585129741 UNQSATTTZXUSHL-OAHLLOKOSA-N 324.380 2.916 0 50 DFAA c1cncc(CCCN2CCC(OC[C@@H]3CCOC3)CC2)c1 585116582 BOKRABWGGILWDA-QGZVFWFLSA-N 304.434 2.532 0 50 DFAA CCOc1ccc2c(c1)[C@@H](NCc1cn(C)nc1C)CCO2 187546933 HOKUFRRQOSWIIX-INIZCTEOSA-N 301.390 2.741 0 50 DFAA C[C@@H]1OCCC[C@H]1C(=O)Nc1cnn(-c2ccccc2F)c1 189232290 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0 50 DFAA CCc1cc(CC(=O)NC[C@H]2CCC3(CCCCC3)O2)n(C)n1 935615312 IIQNHSLQNHNBHR-MRXNPFEDSA-N 319.449 2.523 0 50 DFAA C[C@]1(Br)C[C@H]1C(=O)NCCc1noc2ccccc12 862155827 XOWVEMYNDQFRGG-HZMBPMFUSA-N 323.190 2.660 0 50 DFAA Oc1nc2ccc(-c3csc(C[C@@H]4CCCNC4)n3)cc2[nH]1 1875290281 NNNJSCKEHAEJRU-JTQLQIEISA-N 314.414 2.934 0 50 DFAA COC(=O)C1(c2cccc(NC(=O)c3ccccn3)c2)CCC1 1875298804 NXFDVGAEHRQLDM-UHFFFAOYSA-N 310.353 2.929 0 50 DFAA C[C@@H]1C[C@@]1(C)S(=O)(=O)N[C@H](Cc1ccccc1)c1ncco1 1875393315 DOUCHHRMRUOVPK-XNRPHZJLSA-N 320.414 2.676 0 50 DFAA CCCC[C@@H](C)[C@@H](C)NCc1cn([C@H]2C[C@H](C(=O)O)C2)nn1 1875305792 IOMIDQMWDVIMTB-RGCMKSIDSA-N 308.426 2.618 0 50 DFAA O=C(NC(=O)c1cccs1)OC[C@@H]1CCCN2CCCC[C@H]12 4653701 OYSBOQSTNMBOFY-QWHCGFSZSA-N 322.430 2.879 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 4744928 YTPFRTYSEJJDOZ-PWSUYJOCSA-N 301.383 2.691 0 50 DFAA Cc1noc(C2CC(Nc3cncc(Br)c3)C2)n1 2325777997 VXGLQGWYIWWONJ-UHFFFAOYSA-N 309.167 2.894 0 50 DFAA Cc1nc(CNCc2cc(-c3ccccc3)nn2C)n(C)c1C 2325788541 NKULAVOVRVKIHQ-UHFFFAOYSA-N 309.417 2.727 0 50 DFAA C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1nc2c([nH]1)CCCC2 1434391482 ZZCSEPNGGFCTHY-LBPRGKRZSA-N 315.392 2.923 0 50 DFAA CCOC(=O)Cc1csc2nc3sc(C)c(C)c3c(=O)n12 67610 YCTLGIIOLPUZOS-UHFFFAOYSA-N 322.411 2.693 0 50 DFAA Cc1ccccc1OC[C@@H](O)Cn1c(C)[n+](C)c2ccccc21 98570 SWFSFSHTXXYROQ-INIZCTEOSA-N 311.405 2.523 0 50 DFAA O[C@@H]1CCN(c2nccn3c(-c4ccccc4Cl)cnc23)C1 2356143530 LRQWZGMDZSTXQR-LLVKDONJSA-N 314.776 2.621 0 50 DFAA Nc1cc(Cl)cnc1N1CCC[C@H](OCc2ccccn2)C1 2356150181 PPNQCWKJUVWDKD-AWEZNQCLSA-N 318.808 2.898 0 50 DFAA Cc1nc2ccnn2c(NCc2nc(O)c3ccccc3n2)c1C 2356166648 HBZVKMCZXANMTO-UHFFFAOYSA-N 320.356 2.607 0 50 DFAA Cc1cc(N2CCC[C@H]3CN(C)CC[C@H]32)nc(-c2ccccn2)n1 230091613 RGTKXDKOQGDWKW-DOTOQJQBSA-N 323.444 2.768 0 50 DFAA O=S(=O)(c1cccnc1)N(Cc1ccco1)C1CCCC1 120731326 MLDIVKAIYDFMFE-UHFFFAOYSA-N 306.387 2.808 0 50 DFAA COc1ccc(N/C=C(/c2cc(O)ccc2O)[N+](=O)[O-])cc1 100303816 CVHNYARPMDTHQZ-ZROIWOOFSA-N 302.286 2.794 0 50 DFAA Cc1cccc(-c2cnc(NC(=O)c3nccnc3N)s2)c1 345973700 GMZZTHMDWOGELI-UHFFFAOYSA-N 311.370 2.743 0 50 DFAA CC[C@@H](NC(=O)COc1cccc(C)c1C)c1ccnn1C 67489546 XJRCKOKZWWIEHJ-CQSZACIVSA-N 301.390 2.683 0 50 DFAA C[C@@H](N)[C@H]1CCCCN1C(=O)/C=C/c1cccc2cccnc12 328596498 WYHDUBUENMYDQH-MHWBAHHKSA-N 309.413 2.976 0 50 DFAA CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O 2063 DDSFKIFGAPZBSR-UHFFFAOYSA-N 300.266 2.529 0 50 DFAA biogenic,in-vitro CCCOc1ccc(NC(=O)C2(OC)CCOCC2)c(C)c1 284437354 WGZZUAICJXMOEP-UHFFFAOYSA-N 307.390 2.918 0 50 DFAA Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)no1 2571114 FACSKMSBHYGXAG-UHFFFAOYSA-N 306.265 2.803 0 50 DFAA Cc1c(CN(C)C(=O)c2cc(-c3cccs3)on2)cnn1C 2803094 LPGFKKGOUBBDQU-UHFFFAOYSA-N 316.386 2.717 0 50 DFAA Cn1cnc(S(=O)(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)c1 332633964 IVKQTHTWTBCULD-GFCCVEGCSA-N 313.467 2.646 0 50 DFAA C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ncc[nH]1 141423812 QYVKKKXULWOAHR-LLVKDONJSA-N 307.419 2.747 0 50 DFAA CCn1ncnc1CN1CCC(c2nc3ccc(C)cc3[nH]2)CC1 216321335 ONKOYBMFXMOJMM-UHFFFAOYSA-N 324.432 2.862 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC2(N)CCC2)[C@@H](C)CO1 237706095 ZZPUSPHTCYPEGC-HOCLYGCPSA-N 302.418 2.555 0 50 DFAA COc1ccc(S[C@H](C)C(=O)NCc2ccccn2)cc1 33359546 XEHJVDZSCVTZSS-GFCCVEGCSA-N 302.399 2.887 0 50 DFAA COc1ccc(-c2noc(CN[C@H](C)Cc3ccccn3)n2)cc1 71403944 ZRKFNXBLVIBFQP-CYBMUJFWSA-N 324.384 2.861 0 50 DFAA COC(C)(C)[C@@H](C)NCc1ccccc1CN1CCC(O)CC1 340537557 UYGJRNYBNVYESE-OAHLLOKOSA-N 320.477 2.546 0 50 DFAA COc1ccc(CCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1OC 15021666 ZLUSDZFWNVWMLV-IKGGRYGDSA-N 319.445 2.872 0 50 DFAA O=C(NCc1cccs1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 246092470 CNAISMBUNYKCTP-MGPQQGTHSA-N 306.431 2.895 0 50 DFAA COCc1nc(=N[C@@H]2CCOc3c(C)cc(C)cc32)s[nH]1 370205427 AIIRQDVDVLILNL-GFCCVEGCSA-N 305.403 2.659 0 50 DFAA COc1cc([C@H](C)NC2CCC(N)CC2)cc(OC)c1OC 261936101 KIJPGPNEILXHMT-XGNXJENSSA-N 308.422 2.633 0 50 DFAA CC(C)c1cc(C(=O)N[C@@]2(C)CCOC2)nn1-c1ccccc1 157068909 MWBHYJWCVNAAOU-SFHVURJKSA-N 313.401 2.905 0 50 DFAA COc1nc2ccccc2cc1[C@@H]1NCCc2nc(N)sc21 71745467 WPRHMNAQFMULEY-ZDUSSCGKSA-N 312.398 2.517 0 50 DFAA COc1cccc(CC2CCN(C(=O)[C@](C)(O)C3CC3)CC2)c1 376450279 PXLLTNNEFIRCEC-LJQANCHMSA-N 317.429 2.637 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 286810778 POIFHZAOKHVINM-CYBMUJFWSA-N 322.449 2.629 0 50 DFAA CCC(CC)n1nc(C(=O)NCC23CCCN2CCC3)cc1C 614225922 IPOIHDBHDXPGMS-UHFFFAOYSA-N 318.465 2.911 0 50 DFAA Cc1[nH]ccc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 220011534 UZUKEQNVZCKXEQ-MHORFTMASA-N 310.397 2.699 0 50 DFAA COc1cccc([C@@H]2CN(Cc3cnn4ccccc34)CCO2)c1 179438304 IFOXADSWCMSWNI-IBGZPJMESA-N 323.396 2.916 0 50 DFAA Clc1ccccc1-n1nc(Cn2cncn2)nc1C1CCC1 92046399 OBGPBZCOVYCXRA-UHFFFAOYSA-N 314.780 2.828 0 50 DFAA Cc1n[nH]c(C)c1-c1ccc(C(=O)N[C@@H](C)Cn2cccn2)cc1 426361423 UXYSKBWKRBMKTK-LBPRGKRZSA-N 323.400 2.709 0 50 DFAA O=C(NC1Cc2ccccc2C1)c1cc(-c2ccc(O)cc2)n[nH]1 95361768 BPPQYEDSJVIRPN-UHFFFAOYSA-N 319.364 2.680 0 50 DFAA O=C(NCCc1ccccc1F)N1CCC[C@]2(CCOC2)C1 95372463 ZMUOJMNPTKDKHR-KRWDZBQOSA-N 306.381 2.580 0 50 DFAA CCOC(=O)c1c(I)ccc(F)c1C 98086052 CKYMMECDQSWSOE-UHFFFAOYSA-N 308.090 2.915 0 50 DFAA O=C(O)c1ccnc(N2CCCN(C3CCCCC3)CC2)c1 95500851 JGMUEELHMOGMMO-UHFFFAOYSA-N 303.406 2.625 0 50 DFAA CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 95495658 XHPGYJUZEAXXCC-INIZCTEOSA-N 312.369 2.790 0 50 DFAA O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H]1c1cccnc1 91965703 OJFDNIIPUOPZQR-KRWDZBQOSA-N 319.368 2.640 0 50 DFAA Cc1c(C(=O)NCCCn2ccnn2)sc2cccc(F)c12 182965220 QWLPLANJYDGYJA-UHFFFAOYSA-N 318.377 2.760 0 50 DFAA CCn1nc(C)c([C@@H](C)NC(=O)c2ccnc(C(C)C)n2)c1C 299791640 FZBHIRCQVGTNLE-LLVKDONJSA-N 315.421 2.924 0 50 DFAA Cc1cc(C)n2nc(C(=O)N(c3ccccc3)C3CCC3)nc2n1 585134492 WEUQYKZDINUPOJ-UHFFFAOYSA-N 321.384 2.940 0 50 DFAA O=c1c2c(-c3ccco3)csc2ncn1CCn1cccn1 584893962 LETBKCNBHOPIJY-UHFFFAOYSA-N 312.354 2.615 0 50 DFAA Fc1ccccc1N1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 670434409 NHTKAVHTSQRLPZ-HNNXBMFYSA-N 314.408 2.665 0 50 DFAA CC(=O)Nc1ccc(CN[C@@H]2CCOC3(CCCC3)C2)cn1 872066731 LBOLUCSQEHHWMC-OAHLLOKOSA-N 303.406 2.621 0 50 DFAA O=C(c1ccc(=O)n(C2CC2)c1)N1COCC[C@@H]1c1ccccc1 1875392146 KJOWMYPJTWZEDX-QGZVFWFLSA-N 324.380 2.745 0 50 DFAA CN(C(=O)/C=C/C(C)(C)N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 1875338157 ONEKNQNEXDPRAG-WFPWZJHXSA-N 316.445 2.984 0 50 DFAA CCCCOc1ccc(C(=O)N[C@]2(C)CC[S@](=O)C2)cc1 1875387352 DBDPDHUOQVAKGG-IERDGZPVSA-N 309.431 2.506 0 50 DFAA O=C(C[C@@]12CCC[C@@H]1C2)N[C@H]1CNCC[C@H]1c1ccc(F)cc1 1875404833 XLFIGAAZZDRANT-WMEZAQDKSA-N 316.420 2.968 0 50 DFAA Cc1ccc([C@H](C)NCc2cn(C[C@@H]3CCOC3)nn2)cc1C 631056286 MHVOFOZGTGUQJZ-HOTGVXAUSA-N 314.433 2.782 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@]2(C)CCCO)c1 867140322 WLWUBTXBKBDUMF-GOSISDBHSA-N 316.401 2.578 0 50 DFAA Cc1ccnc(OC2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)c1 276822053 NLFYMTDWXZJANO-GDBMZVCRSA-N 318.417 2.575 0 50 DFAA CC[C@@H](NC(=O)c1cccnc1C(F)(F)F)c1noc(C)n1 170089727 XTCGBOAYZVKQFB-SECBINFHSA-N 314.267 2.673 0 50 DFAA CN1C(=O)CC[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 170085339 DDHBOODRTYXAGW-WBVHZDCISA-N 318.392 2.794 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H]2[C@@H](C)C2(F)F)n[nH]1 408223348 IFUFUKLLKPJCRR-OUAUKWLOSA-N 312.364 2.883 0 50 DFAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3cccnn3)C2)cc1 279072981 RDFINVSXMKQNSW-GOEBONIOSA-N 310.401 2.873 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)C1CCCC1 170610575 JMGMJDNZZYIOPK-MRXNPFEDSA-N 320.408 2.981 0 50 DFAA C[C@@H](CNC(=O)c1cccc(F)c1Cl)N1CCCCC1=O 170619107 LGRWOQQWMICELT-JTQLQIEISA-N 312.772 2.610 0 50 DFAA O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H](CO)C1 280361577 RTQJPNKNXZTKGT-UKPHBRMFSA-N 320.408 2.876 0 50 DFAA CC[C@H](C)N(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 172080450 WTJYLJRCMJELEK-DZGCQCFKSA-N 303.406 2.622 0 50 DFAA CC(C)(O)CN(C(=O)Nc1cnc(C(C)(C)C)nc1)C1CC1 188762470 FCZUJVNZTHNFOV-UHFFFAOYSA-N 306.410 2.541 0 50 DFAA O=c1c2cccc(Br)c2ncn1CC[C@@H]1CCCO1 188967923 QLSZYCTXTYFGQF-JTQLQIEISA-N 323.190 2.728 0 50 DFAA Cc1nc(N2CCN(Cc3ccccn3)CC2)nc2ccccc12 641268516 KBRJVPNMCKZLQM-UHFFFAOYSA-N 319.412 2.655 0 50 DFAA CCc1ncnc(N[C@H]2CCCO[C@@H]2c2nccn2CC)c1F 190415986 UIMILNCHTLRLDD-JSGCOSHPSA-N 319.384 2.727 0 50 DFAA O=C(Nc1cc(C2CC2)[nH]n1)c1noc(-c2cccc(F)c2)n1 676388335 VILNDZFJUPHUKO-UHFFFAOYSA-N 313.292 2.729 0 50 DFAA CCCCCOCC(=O)N[C@H](Cc1ccccc1)c1ncon1 585127036 ONAPTSPTLCUEBJ-OAHLLOKOSA-N 317.389 2.676 0 50 DFAA CCOc1ccc(CN(CC)Cc2nc(C(=O)O)co2)cc1 1529099596 CEPHFSKSVWPHEH-UHFFFAOYSA-N 304.346 2.794 0 50 DFAA CCn1cc(Br)c(=O)c(NC(=O)C2(C)CCC2)c1 347911730 UTOCPEVFPZNTIW-UHFFFAOYSA-N 313.195 2.759 0 50 DFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@@H]1C1(O)CC1 1772814424 YGUGBSFXZAKKEF-CQSZACIVSA-N 303.406 2.587 0 50 DFAA O=C(Cn1cccn1)N1CCC[C@@H](CCc2ccccc2F)C1 11816598 JCNRJAWSDZWNFR-HNNXBMFYSA-N 315.392 2.894 0 50 DFAA Cc1ccc(C)c(CN2CCC(=O)N(Cc3ccncc3)CC2)c1 12571655 XYQSMCWRCGREHG-UHFFFAOYSA-N 323.440 2.933 0 50 DFAA COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 16605152 JWFUKKKFNRJRSF-UHFFFAOYSA-N 324.424 2.696 0 50 DFAA Cc1ccccc1[C@H]1C[C@@H]1NC(=O)N=c1ccn(CC(F)F)[nH]1 1857531990 SUDUAFBQIYBVSH-OLZOCXBDSA-N 320.343 2.556 0 50 DFAA Fc1cnc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)nc1 408524144 YLNWZYSYNIYUQT-UHFFFAOYSA-N 324.363 2.785 0 50 DFAA O=C1C[C@H](c2noc(C[C@H]3C[C@H]4CC[C@H]3C4)n2)CN1C1CC1 329721202 MZJCMOOZBRMPPS-RVMXOQNASA-N 301.390 2.527 0 50 DFAA COc1cc(C(=O)NCCc2c(C)noc2C)ccc1Cl 131574666 LVEAOTNDDNUVIC-UHFFFAOYSA-N 308.765 2.926 0 50 DFAA O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CC[C@H](OC(F)F)C1 670157302 MYFJLDNZZXUFFF-PLQHRBFRSA-N 323.339 2.567 0 50 DFAA C1=C[C@@H](N2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)CCC1 253416326 BWRXUYCRPPHTBN-MSOLQXFVSA-N 324.428 2.808 0 50 DFAA CCOc1ccc2cc(C(=O)N3CCC[C@@](F)(CO)C3)[nH]c2c1 376498660 YROQFGNPPLXVRN-KRWDZBQOSA-N 320.364 2.503 0 50 DFAA CCC(C)(C)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 263705776 BDRXKSBAEQTSRH-UHFFFAOYSA-N 320.408 2.983 0 50 DFAA Cc1cc(Cn2cc3cc(C(=O)N4CCCC4)ccc3n2)no1 902559253 IDYPHZXCQQVTAN-UHFFFAOYSA-N 310.357 2.617 0 50 DFAA O=C(O)[C@@H]1C[C@H]1CN1CCC(c2ccc3cccnc3n2)CC1 903904982 RTDSDCWVXWRJCC-LSDHHAIUSA-N 311.385 2.530 0 50 DFAA O=C(Nc1cncc(Cl)c1)N[C@@H](CCO)Cc1ccccc1 932125315 LROVFIAPONDFBT-AWEZNQCLSA-N 319.792 2.850 0 50 DFAA CN1CCN(Cc2n[nH]c3c2CCCC3)[C@H](c2ccccc2)C1 2325786976 PXRSEZUHXUNZSX-IBGZPJMESA-N 310.445 2.777 0 50 DFAA Cc1cccc(C)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 318813 GYUXCUIFCZNCRA-ZDUSSCGKSA-N 322.364 2.927 0 50 DFAA COC(=O)C1=CCCCCCCC(N2CCCC2)=C1C(=O)OC 1721979 AIPLPDMCEMMWDW-UHFFFAOYSA-N 321.417 2.963 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)[C@H](c2ccc(C)cc2)N(C)C)CC1 2356142468 SXJRNHCQHBWJOD-ULQDDVLXSA-N 304.434 2.672 0 50 DFAA Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)cc2F)c1 8034242 LKHSULULOOGZRH-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA Cn1cnnc1S[C@@H](C(=O)NC1CCCC1)c1ccccc1 9027105 LHDKQQPUEYTUHV-CQSZACIVSA-N 316.430 2.707 0 50 DFAA CCCC[C@@H]1CCCN1C(=O)c1cccc(NCC(=O)O)c1 55325407 RMEFHLZELFDHQB-OAHLLOKOSA-N 304.390 2.978 0 50 DFAA Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)c(Cl)c1 20427541 TZECAHYEABBJER-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA CC(C)[C@H](Cn1ccnc1)NC(=O)C1(c2ccccc2F)CC1 65526391 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DFAA O=C(CSc1ncn(-c2ccccc2)n1)NCc1ccccc1 464086 ZUAJCBJDZHOYMI-UHFFFAOYSA-N 324.409 2.676 0 50 DFAA C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)OCc1ccccc1 1163744 HWIIPQQYPSOHAR-HIFRSBDPSA-N 304.390 2.608 0 50 DFAA COc1nccn2c(-c3cc(CN)cc(C(F)(F)F)c3)cnc12 2356157265 HYBJCRNRZVAHLY-UHFFFAOYSA-N 322.290 2.882 0 50 DFAA Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(N)=O)c1 4722122 GDDHRZCTWQUXBL-UHFFFAOYSA-N 312.369 2.728 0 50 DFAA Cc1nnc2sc(COc3cccc4ccccc34)nn2c1=O 8400843 YECUOABVTLKPAL-UHFFFAOYSA-N 324.365 2.587 0 50 DFAA CSC1(CN2CCC[C@H](c3nnc4ccccn34)C2)CC1 225419340 QKYCSTDZGVLAGU-ZDUSSCGKSA-N 302.447 2.804 0 50 DFAA O=C(Nc1nccs1)C1CCN(C(=O)c2ccccc2)CC1 9340599 LZAQLVXXPFRERN-UHFFFAOYSA-N 315.398 2.634 0 50 DFAA CN(C)c1nnc(CN2CCC[C@H](c3ccccc3)CC2)o1 225676346 SGVUVGHXENZPGD-HNNXBMFYSA-N 300.406 2.905 0 50 DFAA C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccnc2)C1 421987192 JIZNEBQAZLDGPQ-GXTWGEPZSA-N 304.390 2.522 0 50 DFAA COCCN(Cc1cccc(C(=O)OC)n1)Cc1cccs1 55211689 BEYYVVWFPTWFSO-UHFFFAOYSA-N 320.414 2.578 0 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313.401 3.088 0 50 DFAA Cn1nc([C@H](O)c2ccccc2)nc1CCOc1ccccc1 91951741 LZXXYRLAUDRZKA-QGZVFWFLSA-N 309.369 2.518 0 50 DFAA COc1cccc2c1OC[C@H](Cc1cc(C(N)=O)ccc1C)C2 95524471 ZUJZKBHLECBXBO-ZDUSSCGKSA-N 311.381 2.896 0 50 DFAA Cc1nc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(C)s1 179041932 MQCJULLORZJSEZ-OAHLLOKOSA-N 315.442 2.889 0 50 DFAA CCN1CCC[C@@H]1CNCc1cc(O)c2cccc(F)c2n1 91987968 RXVQFQZJFFDKAT-CYBMUJFWSA-N 303.381 2.653 0 50 DFAA COc1cccc(-n2cc([C@H](C)NC(=O)NC3CCC3)cn2)c1 534667038 AODJGPYFOVLLPF-LBPRGKRZSA-N 314.389 2.794 0 50 DFAA COCC1(CNC(=O)c2cccc3c2CCC3=O)CCCC1 534650587 JZVREZHWOSMEAW-UHFFFAOYSA-N 301.386 2.752 0 50 DFAA C[C@@H](NC(=O)N1CCCN(c2ccccc2)CC1)C(F)(F)F 377396230 FHZBDKGNCBHEQM-GFCCVEGCSA-N 315.339 2.859 0 50 DFAA CCN(CC(F)(F)F)C(=O)Nc1ccc2c(c1)ncn2C 299793709 HPYAXOGZWUXHGE-UHFFFAOYSA-N 300.284 2.989 0 50 DFAA CCn1nc(C)c([C@H](C)NC(=O)Nc2cncc(F)c2)c1C 299772937 BEARVDPXXIIQMN-VIFPVBQESA-N 305.357 2.937 0 50 DFAA O=C(C[C@H]1CCNC1)NCc1cc(-c2ccccc2Cl)no1 299790413 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CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 585125640 ZXCSEOUGNDCXTQ-SNVBAGLBSA-N 324.343 2.797 0 50 DFAA CC(C)Oc1cncc(C(=O)N[C@H](CCO)c2cccs2)c1 761924338 MCPQKDAPGYLCQU-CQSZACIVSA-N 320.414 2.784 0 50 DFAA COCC1(C(=O)O)CCN(Cc2cccc(Cl)c2C)CC1 1615002794 NTRPBEAFZRLOIL-UHFFFAOYSA-N 311.809 2.962 0 50 DFAA Cc1ccc2nc(CN3CCC[C@@H](Cn4ccnc4)C3)cn2c1 1506400074 SZDAZZOIUWMSIL-MRXNPFEDSA-N 309.417 2.751 0 50 DFAA c1ccc(CCN2CCN(C3CSCCSC3)CC2)cc1 1506425590 MJZLRXZZEUJZEY-UHFFFAOYSA-N 322.543 2.695 0 50 DFAA CNC(=O)[C@H]1CCN(c2cc(C)c3cc(SC)ccc3n2)C1 1506403487 SHBUFQSNLRHHRK-LBPRGKRZSA-N 315.442 2.837 0 50 DFAA O=C(c1cnco1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 209828932 DJUSGQRMVYODIB-SJORKVTESA-N 322.364 2.818 0 50 DFAA COc1cccc([C@H]2CN(CCCSC)C[C@@H]2C(=O)O)c1 212084546 IVEDWUSKUPVWOY-CABCVRRESA-N 309.431 2.548 0 50 DFAA CCCn1nccc1NC(=O)[C@H](c1ccccc1F)N(C)C 1529111421 XZGSUSUBISHIOS-HNNXBMFYSA-N 304.369 2.674 0 50 DFAA Cc1cc(=O)n([C@@H](C)C(=O)Nc2cccc(Cl)c2)nc1C 1848442535 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C[C@@H](NC(=O)c1cc2ccccn2c1)c1cc2n(n1)CCCC2 912032845 IJBRVHMFAIAJAC-CYBMUJFWSA-N 308.385 2.963 0 50 DFAA COc1ccc(Cc2nc([C@H]3CCCN3C(C)=O)no2)c(C)c1 904132978 HWVCKSGZVOJUHV-OAHLLOKOSA-N 315.373 2.661 0 50 DFAA CCc1nc(O)c(C(=O)N2CCC[C@@H]2c2cccn2C)cc1C 929554100 ZSKLRKMPAGLJCP-MRXNPFEDSA-N 313.401 2.974 0 50 DFAA C[C@@H](NC(=O)c1ccc(C(F)F)c(F)c1)c1nnc2n1CCC2 930482814 QTAMTLKRKXUNQK-MRVPVSSYSA-N 324.306 2.792 0 50 DFAA COc1ccc(C[C@H]2CCN2C(=O)C2(C)CCN(C)CC2)cc1 1875283223 JWLAHUUFFPBXDL-MRXNPFEDSA-N 316.445 2.571 0 50 DFAA Cc1ccc(N2CCC(NC(=O)N3CCCCC3)CC2)nc1 1875264681 XGJCMJSYNIJVCN-UHFFFAOYSA-N 302.422 2.554 0 50 DFAA CCOC(=O)c1sc(NC(=O)N2CCC=C(C)C2)nc1C 1875348149 YSWNSYCTXXVWFX-UHFFFAOYSA-N 309.391 2.812 0 50 DFAA CN(C)C(C)(C)CN(C=O)Cc1ccc(-c2cccnc2)o1 1875325008 FYALOSKGYUHJLN-UHFFFAOYSA-N 301.390 2.640 0 50 DFAA C[C@@H]1c2ccccc2C[C@@H]1N(C)C(=O)c1cc(C(=O)O)sn1 2325802967 HYTDWGQGUMEIRN-RNCFNFMXSA-N 316.382 2.642 0 50 DFAA NCc1ccc2c(c1)CC[C@@H]2Nc1nc(O)c2ccccc2n1 2325865588 IGAWOPQWBAQYAU-INIZCTEOSA-N 306.369 2.894 0 50 DFAA CC(=O)Nc1ccc(O[C@]2(C)OC(=O)c3ccccc3O2)cc1 14940 ZAPRLADYRFPQSH-KRWDZBQOSA-N 313.309 2.947 0 50 DFAA in-man CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 102642 JTPMUYIXKZGEFI-UHFFFAOYSA-N 305.355 2.664 0 50 DFAA COc1ccccc1N1CCN(C(=O)NC2CCCCC2)CC1 205566 XIDZYWWXKBFIRJ-UHFFFAOYSA-N 317.433 2.860 0 50 DFAA CCc1ccc2c(c1)[C@@](O)(CC(=O)c1cccs1)C(=O)N2 235900 YCQASDRTRIYQOE-INIZCTEOSA-N 301.367 2.723 0 50 DFAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(N)=O 456700 UVPAWNJMBBYIOO-UHFFFAOYSA-N 304.733 2.700 0 50 DFAA Cc1ccc(SC(=O)CN2C(=O)c3ccccc3C2=O)cc1 464337 GNQODMBYUBRBON-UHFFFAOYSA-N 311.362 2.910 0 50 DFAA O=C(Nc1nnc(COc2ccccc2)s1)c1cccnc1 1356234 KTCHQIVANKTHGQ-UHFFFAOYSA-N 312.354 2.764 0 50 DFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc4ccccn34)C2)n1 2356148010 CIGWGMBWDFIKHI-INIZCTEOSA-N 308.385 2.840 0 50 DFAA O=C(c1ccc(F)cc1F)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356151922 GZUACYOXCAOCFB-WMLDXEAASA-N 317.335 2.955 0 50 DFAA CCOCCc1nnc(NC(=O)CSc2ccccc2)s1 2846940 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KNTCXJLYPILNAP-KBPBESRZSA-N 312.417 2.650 0 50 DFAA CC1(C)[C@H](NCCOc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]21 245845500 FKARSUZTEWLKFX-IAOVAPTHSA-N 319.401 2.587 0 50 DFAA O=C(O)CCCN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 116400389 NJKSXHQVWMCOGO-INIZCTEOSA-N 311.809 2.950 0 50 DFAA CNCCN(C)Cc1nc(-c2ccc(OC)c(C)c2C)oc1C 67642282 KYXVRVFYKWIYQK-UHFFFAOYSA-N 317.433 2.927 0 50 DFAA Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccnc2)C1 247986812 ZTTDQFHBWMNPDS-IKGGRYGDSA-N 310.401 2.554 0 50 DFAA COCCN1CC[C@H](CN(C)C(=O)c2ccc(Cl)c(C)c2)C1 67948043 WVINBGZMCWILLX-CQSZACIVSA-N 324.852 2.689 0 50 DFAA O=S(=O)(/C=C/c1cccs1)NCc1ccc2c(c1)OCO2 1398424 IXCZRKHDTQBFHF-FNORWQNLSA-N 323.395 2.567 0 50 DFAA COc1ccc([C@H]2CCN(CCOC[C@H]3CCCO3)C2)cc1 252504735 FBHTZAZWOPNWEA-FUHWJXTLSA-N 305.418 2.680 0 50 DFAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 324080393 LECMXUHXZCSBFA-QGZVFWFLSA-N 309.365 2.806 0 50 DFAA CS(=O)(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl 2803822 JYHRQBUIZPBOEW-UHFFFAOYSA-N 320.201 2.610 0 50 DFAA c1cn(CCCOc2ccc(CN3CCSCC3)cc2)cn1 215397175 NRUKYDJCIDIBQD-UHFFFAOYSA-N 317.458 2.901 0 50 DFAA Cc1cn2c(CN3CCS[C@H]4COCC[C@H]43)c(C)nc2s1 230126819 JQURBPDTBIRQTN-OCCSQVGLSA-N 323.487 2.719 0 50 DFAA C[C@@]1(c2cccnc2)NC(=O)N(Cc2sccc2Cl)C1=O 253420787 HRWWLMVHEAXYPA-AWEZNQCLSA-N 321.789 2.764 0 50 DFAA O=c1c2c3c(sc2ncn1CC1(CO)CCC1)CCCCC3 32507866 VDNYWXMFQDSBCG-UHFFFAOYSA-N 318.442 2.890 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cn1 237978918 BUPQCSIUOAZZTD-CYBMUJFWSA-N 302.355 2.819 0 50 DFAA Cc1ccnc(-c2ccc(NC(=O)CC[C@H]3CCNC3)cc2)n1 261911587 WMXJFJAPPIURFE-AWEZNQCLSA-N 310.401 2.780 0 50 DFAA Cc1nsc(N2CCN(Cc3ccccc3)CC[C@@H]2C)n1 378414624 ZSKUBSJBXQPOCL-ZDUSSCGKSA-N 302.447 2.947 0 50 DFAA CCOc1ccc2c(c1)C[C@H](C(=O)NC1CC(C)(F)C1)CO2 452274212 FVXNWYBWXHFLQQ-POZPTJLLSA-N 307.365 2.643 0 50 DFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCC[C@H]1C(=O)O 237700088 URBNHCFOLGENPJ-HNNXBMFYSA-N 318.348 2.624 0 50 DFAA COc1ccc2[nH]c(CNC(=O)CN3CCCCCC3)cc2c1 220038629 BIRSNHRWSSRUBF-UHFFFAOYSA-N 315.417 2.669 0 50 DFAA CCc1c(C)nn(CCNC(=O)[C@@H](OC)c2ccccc2)c1C 222848727 IWMWGYOXDGNFDF-KRWDZBQOSA-N 315.417 2.566 0 50 DFAA Cc1nc(CCN(C)C(=O)Nc2cc(F)c(F)cc2F)no1 96151356 KGZFDVAFIBFVMF-UHFFFAOYSA-N 314.267 2.502 0 50 DFAA COc1ccc2c(c1)OC[C@@H](Cc1cc(C)nc(N(C)C)n1)C2 95527210 WKKADOXRAQCJEA-CYBMUJFWSA-N 313.401 2.653 0 50 DFAA CC(C)c1ccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 20614609 CMGMKTTXKUHYPL-NSHDSACASA-N 315.373 2.733 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 178999957 IJUPWVBXRJDARX-LBPRGKRZSA-N 318.442 2.900 0 50 DFAA CCc1ccccc1OC1CN(C(=O)[C@H](CC)n2cccn2)C1 91665611 NFKWYBAVHFEROV-INIZCTEOSA-N 313.401 2.686 0 50 DFAA CCc1nc(CNC(=O)[C@@H]2CCOc3ccccc3C2)cs1 97098807 ICWBKBUMXDEODR-CYBMUJFWSA-N 316.426 2.963 0 50 DFAA CO[C@H]1Cc2ccccc2N(C(=O)c2snnc2C2CC2)C1 292443316 VOEUCDFLNZPWLD-LBPRGKRZSA-N 315.398 2.633 0 50 DFAA Cc1n[nH]c([C@@H]2CCCN2C(=O)CC2Cc3ccccc3C2)n1 244874530 XCXUYCJSFCPQAA-INIZCTEOSA-N 310.401 2.582 0 50 DFAA O=C(c1cc2n(n1)CCC2)N1CCc2c(Cl)cc(F)cc2C1 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DFAA C[C@@H](NC(=O)N1CCC(C)(C(=O)O)CC1)C1CCC(F)CC1 659412485 JDHZRYKWYPGKSV-PNESKVBLSA-N 314.401 2.800 0 50 DFAA O=C1CC2(CCCC2)C(=O)N1CN1CCCc2cccc(F)c21 766341064 KHBBWGGIINYMTC-UHFFFAOYSA-N 316.376 2.855 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)c1cc(Cl)cnc1O 1506420207 YKPGEBNGNOMABL-GFCCVEGCSA-N 312.797 2.862 0 50 DFAA CCCC[C@H](C(=O)O)N1CCCN(c2ccc(F)cc2)CC1 1529104831 ULQPYPRCEJOVPP-MRXNPFEDSA-N 308.397 2.981 0 50 DFAA CN(C)C(=O)c1cccc(Cc2cc3ccccc3n(C)c2=O)c1 1772813331 XFCNEXBPBGSXQT-UHFFFAOYSA-N 320.392 2.831 0 50 DFAA CN1CCC(N2CCc3onc(-c4cccc(F)c4)c3C2)CC1 12760986 ODDILKOIQKUZRE-UHFFFAOYSA-N 315.392 2.933 0 50 DFAA CC[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc(C)cc1C 18222589 LSJSIJNELCXTKL-NSHDSACASA-N 305.407 2.513 0 50 DFAA O=C1CC[C@H](C(=O)N2CCCCC[C@@H]2C=Cc2ccccc2)N1 1857533229 IHCBLVZWLKSTHZ-IAGOWNOFSA-N 312.413 2.750 0 50 DFAA COC(=O)[C@H]1CN(c2nc3cc(C(C)(C)C)ccc3o2)CCO1 1857668883 VZAWIAMTJPZYDX-CQSZACIVSA-N 318.373 2.504 0 50 DFAA Cc1c(C(=O)N2CC[C@@H](Oc3ccccc3)C2)nc2ccccn12 1857735171 LBTBLZHFVNSQPY-MRXNPFEDSA-N 321.380 2.936 0 50 DFAA NC(=O)NCCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 117540887 OBVLZPYNLMZGLI-AWEZNQCLSA-N 323.824 2.842 0 50 DFAA Cc1noc([C@H](N[C@@H](C)CC2CCOCC2)C2CCOCC2)n1 328634894 ULKZCRKODBYXKW-BLLLJJGKSA-N 323.437 2.641 0 50 DFAA O=C(Cn1ccc2occc2c1=O)NC1(c2ccccc2)CCC1 133575688 IHLAODSZLSWERR-UHFFFAOYSA-N 322.364 2.790 0 50 DFAA Brc1cccc2c(I)n[nH]c12 14985031 QRNJULUTBLCRHI-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 912837009 KYLMCGPVUIXDEY-LLVKDONJSA-N 318.270 2.794 0 50 DFAA c1ccc(-c2ncc(CN3CCn4c(nnc4C4CC4)C3)o2)cc1 929589935 WEQDZMSLUJNRSW-UHFFFAOYSA-N 321.384 2.826 0 50 DFAA C[C@@]1(C(=O)NCCc2ccc(O)cc2)CCOc2ccccc21 934935861 MWRDQLPYTFHDKU-LJQANCHMSA-N 311.381 2.791 0 50 DFAA Cc1cccc([C@@H](CC(=O)O)NC(=O)c2cnn(C(F)F)c2)c1 864232573 QVLITEVNWZMPPK-GFCCVEGCSA-N 323.299 2.532 0 50 DFAA CC(=O)c1cccc(NC(=O)N2[C@H]3CC[C@H]2c2c[nH]nc2C3)c1 952850562 YXUHQXVGQXIJQU-BBRMVZONSA-N 310.357 2.906 0 50 DFAA COc1nscc1CN(C)C(=O)Nc1cnc2c(c1)CCC2 1875277382 ILYZQTZQZQOPEW-UHFFFAOYSA-N 318.402 2.699 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(C)CC(F)(F)C3)n[nH]c21 1875296117 ZTQGBWRUBLSTSI-BDAKNGLRSA-N 313.348 2.597 0 50 DFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Cl)cc2Cl)cn1 1875379134 NQTYWMQSMWVALO-BUXKBTBVSA-N 312.200 2.990 0 50 DFAA CC(=O)N1CCN(c2nc3c(C)ccc(F)c3cc2C)CC1 1775999889 ZRCHGNFCPYKXTB-UHFFFAOYSA-N 301.365 2.659 0 50 DFAA Cc1cnc(CN2CC(O)(c3cccc4ccccc34)C2)n1C 2325755951 YGXHCKYOXHZORU-UHFFFAOYSA-N 307.397 2.585 0 50 DFAA N=c1nc(C2CCCC2)nc(N2CCC=C(c3ccccn3)C2)[nH]1 2325792912 UVOFZGALUOGOJQ-UHFFFAOYSA-N 322.416 2.630 0 50 DFAA COc1ccc(NC(=O)CCN2CCC[C@@H](C)C2)c(OC)c1 176476 XNZMSJFORAKRDV-CYBMUJFWSA-N 306.406 2.764 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 240964 HBXDLMPLACOPAK-UHFFFAOYSA-N 308.334 2.585 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 384625 VFQGZGLFTHPNOU-NSHDSACASA-N 309.362 2.874 0 50 DFAA COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccn1 384650 GDPAROXGPLSTQN-UHFFFAOYSA-N 320.414 2.692 0 50 DFAA COc1cc(OC)c(C(=O)NCc2ccc(F)cc2)cc1OC 496887 QMBKVBAQNGTLJF-UHFFFAOYSA-N 319.332 2.782 0 50 DFAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 582596 ZNVXETZTOPDDNS-UHFFFAOYSA-N 324.789 2.964 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)CSc2ccccc2)C1 859891 QAVKDJDFPYQWRS-CYBMUJFWSA-N 307.415 2.580 0 50 DFAA CN1C[C@@]2(CCCN(Cc3cccc4ncsc34)C2)OC1=O 2356150946 JPFCKZJYDZCSBI-MRXNPFEDSA-N 317.414 2.713 0 50 DFAA CCCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1 2861519 QYDVNKQTSPHMHK-UHFFFAOYSA-N 317.433 2.874 0 50 DFAA Cn1c(SCC(=O)Nc2nccs2)nnc1C1CCCC1 6741197 NQFJGLJIDVGIAG-UHFFFAOYSA-N 323.447 2.660 0 50 DFAA C[C@@H](c1cccc(F)c1)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 221797173 QIUOHBBDYBGSFV-WCQYABFASA-N 316.380 2.588 0 50 DFAA CCc1c(C)[nH]c2c(-c3ccc(OC)c(OC)c3)cnn2c1=O 9136862 KCKFHYODCQOHGE-UHFFFAOYSA-N 313.357 2.578 0 50 DFAA CN1CCC(N2CCC[C@@H](NC(=O)CCC3CCCC3)C2)CC1 20542626 VZTRHOCXGFPNSM-QGZVFWFLSA-N 321.509 2.632 0 50 DFAA CN(C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)[C@H]1CCNC1 247305307 PXLCFFQLWGSRIV-WCFLWFBJSA-N 312.335 2.629 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1 345827683 UBDGGFDTLVHHBP-UHFFFAOYSA-N 303.264 2.866 0 50 DFAA CC(C)CN1CCN(CCCc2ccccc2)C[C@@H]1CCO 20778995 YIGOINRNVRYTLF-IBGZPJMESA-N 304.478 2.644 0 50 DFAA Cc1ccc2[nH]c(=O)c(CN(C)CCCN3CCCC3)cc2c1 67714458 QKDSGWXTJLFSIX-UHFFFAOYSA-N 313.445 2.754 0 50 DFAA CC[C@@H](C)Sc1nc(O)cc(=O)n1-c1ccc(OC)cc1 23114790 CYENORJQJHBDPC-SNVBAGLBSA-N 306.387 2.837 0 50 DFAA CN(Cc1cc(-c2ccccc2)[nH]n1)Cc1ncccc1C(=O)O 65410892 XXVPALZQUWWROO-UHFFFAOYSA-N 322.368 2.802 0 50 DFAA Cc1cc(-n2nc(C(C)C)nc2-c2cc(C)[nH]c(=O)c2)ccn1 67587895 BCBTXZRERUWAOL-UHFFFAOYSA-N 309.373 2.758 0 50 DFAA COc1cccc(-c2noc3c2CN(C(=O)CSC)CC3)c1 20999751 CYHIHRHDWVXMQX-UHFFFAOYSA-N 318.398 2.598 0 50 DFAA Cc1cnc(C)c(N2CCC(c3nnc4ccccn34)CC2)n1 302228761 QZONFXQLYFDECZ-UHFFFAOYSA-N 308.389 2.520 0 50 DFAA C[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 252479673 BJRLAAVCHPBCHS-GFCCVEGCSA-N 321.371 2.743 0 50 DFAA c1ccc(-n2ncc(CN3CCOCc4ccccc43)n2)cc1 252487886 IDIHCZQYQRXTRW-UHFFFAOYSA-N 306.369 2.804 0 50 DFAA COc1ccc(CNC(=O)Nc2ccc3c(c2)OCCO3)cc1 9452052 HBTICWSMOATNMN-UHFFFAOYSA-N 314.341 2.788 0 50 DFAA CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1cnn(C)c1C 120490011 IRAWTQKFSFQYCU-KBPBESRZSA-N 310.467 2.592 0 50 DFAA CN(C[C@H]1CCCN1C)c1nncc(-c2cc3ccccc3o2)n1 11874473 WZLRARMPJDBVQV-CQSZACIVSA-N 323.400 2.815 0 50 DFAA C[C@H](NCC[C@H]1CCCO1)[C@H](c1ccccc1)N1CCOCC1 230102038 IEZOAAPBRHDMNS-QXAKKESOSA-N 318.461 2.607 0 50 DFAA COc1ccc([C@@H](NC(=O)N(C)C(C)C)c2nccn2C)cc1 121374318 LNDWNJNRBMEYPK-OAHLLOKOSA-N 316.405 2.568 0 50 DFAA O=S(=O)(NCc1ccc(-n2cccc2)cc1)c1ccccc1 4054750 LXJMLKNPWDYBFC-UHFFFAOYSA-N 312.394 2.956 0 50 DFAA O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccncc2)CC1 12552016 ZPOLNNXPPFUAFI-UHFFFAOYSA-N 314.364 2.570 0 50 DFAA Cc1cnc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)cn1 328633024 SGZUSCUJYVLPQX-LBPRGKRZSA-N 316.430 2.742 0 50 DFAA CCOc1cc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ncn1 328600360 XLRWVSFVOGPQGL-KGLIPLIRSA-N 303.406 2.661 0 50 DFAA Cc1nc(-c2ccc(C(=O)N3CCNC(C)(C)C3)cc2)cs1 253429927 DMGSFWLTJYVVRW-UHFFFAOYSA-N 315.442 2.943 0 50 DFAA Cc1ccc(CC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 32311426 RHVYZIOUIRWFAH-UHFFFAOYSA-N 322.408 2.981 0 50 DFAA Cc1nccn1C[C@H]1CCCN(Cc2cnn(C)c2C2CC2)C1 72140327 VONYHXIBTGKZKM-HNNXBMFYSA-N 313.449 2.715 0 50 DFAA CCN(C(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1cccnc1C 332590302 JEEPPOOXPBDBDU-SUMWQHHRSA-N 312.369 2.971 0 50 DFAA CCc1nsc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 239762124 CKXIROKJRBNBLM-CABZTGNLSA-N 311.357 2.691 0 50 DFAA COc1cc([C@@H](C)NC2CCC(N)CC2)cc(OC)c1OC 261936100 KIJPGPNEILXHMT-LMWSTFAQSA-N 308.422 2.633 0 50 DFAA O=C(CN1CCCC1)N1CCC(Oc2ccccc2Cl)CC1 77538251 OOVGFXZBYFKNLJ-UHFFFAOYSA-N 322.836 2.806 0 50 DFAA COc1ccc2[nH]c(C(=O)N3CCC[C@H](N(C)C)CC3)cc2c1 72121533 NTSULTOORZAZOD-AWEZNQCLSA-N 315.417 2.733 0 50 DFAA Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)c(C)o1 237733817 SGFZLQVFNVMTBW-CQSZACIVSA-N 301.342 2.570 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@]12CN(Cc1ccccc1)C2=O 40449973 SGZSHVUSFGUOCM-SFHVURJKSA-N 316.401 2.799 0 50 DFAA CCc1ncnc(CC)c1C(=O)NC[C@@H]1CCOC(C)(C)C1 457175829 DXWOXIWVGYEBAA-GFCCVEGCSA-N 305.422 2.536 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 174194100 GIPIDAGZCPJYQR-HNSVSWJLSA-N 302.418 2.585 0 50 DFAA CC[C@@H](C(=O)NCCc1csc(CSC)n1)n1cccn1 91645607 IQNSXSMCGTXHED-LBPRGKRZSA-N 324.475 2.513 0 50 DFAA CC[C@H](C(=O)N1CCCN(c2ccccc2)CC1)n1cccn1 91574174 MJOSJVOULQUVLA-QGZVFWFLSA-N 312.417 2.573 0 50 DFAA CSc1cccc([C@@H](C(=O)O)N(C)Cc2nc(C)c[nH]2)c1 95368203 BAOVALHGTXPJEL-AWEZNQCLSA-N 305.403 2.698 0 50 DFAA CCc1cnc(N)nc1N[C@H](c1nc(C2CC2)no1)C(C)C 95366909 PVBBBLQJBKPTQE-NSHDSACASA-N 302.382 2.691 0 50 DFAA O=C(O)[C@H]1C(=O)N(Cc2ccccc2)[C@H]2C[C@H]1c1ccccc1O2 245229500 ZRVMUKAUGFEWTN-USXIJHARSA-N 323.348 2.622 0 50 DFAA CO[C@@H](C)CC(=O)Nc1cc(CCc2ccccc2C)n[nH]1 182898776 DVNBCEARZFIGDN-ZDUSSCGKSA-N 301.390 2.867 0 50 DFAA Cc1ccsc1CNC(=O)N[C@@H]1COc2ccccc2C1 298670348 GVPVKXCVBPULHA-ZDUSSCGKSA-N 302.399 2.859 0 50 DFAA CC(C)n1nccc1C(=O)NCCCc1nc2ccccc2[nH]1 268760693 ZZHHXUGQLOLYQZ-UHFFFAOYSA-N 311.389 2.703 0 50 DFAA FC(F)(F)c1ccc(I)c(S)n1 263625428 ZWIJJCALTNHJLL-UHFFFAOYSA-N 305.062 2.994 0 50 DFAA CCc1ccc(-c2cc(C(=O)NCC[C@@H]3CCOC3)n[nH]2)cc1 534592666 HEVIHOGGGFQIEQ-CQSZACIVSA-N 313.401 2.796 0 50 DFAA CCCc1nc(CNC(=O)c2sc(OC)nc2C)cs1 299782540 SXOIXFWEGPMXMO-UHFFFAOYSA-N 311.432 2.799 0 50 DFAA CCCNCC[C@H]1CCC(=O)N1CCc1cccc(OC)c1 299772780 AQGUVRJMKSOVLF-MRXNPFEDSA-N 304.434 2.618 0 50 DFAA CCCc1ncncc1C(=O)N1CC[C@H](Oc2ccccc2)C1 299800788 VUUGSZOAQYROGU-HNNXBMFYSA-N 311.385 2.723 0 50 DFAA O=C(CCCc1cn[nH]c1)NCc1coc(-c2ccccc2)n1 828029657 KKYPXDMEJMCNPC-UHFFFAOYSA-N 310.357 2.704 0 50 DFAA Cc1ccc2nc(CN(C)Cc3[nH]cc(C)c(=O)c3C)[nH]c2c1 670448693 GCWPVZNGAWBAPC-UHFFFAOYSA-N 310.401 2.808 0 50 DFAA Cc1nc(C(F)(F)F)ncc1CN(C)C[C@H]1CCCN(C)C1 670447925 GGZMOKQETPHFIE-LBPRGKRZSA-N 316.371 2.577 0 50 DFAA COc1cc(C)c(CN(C)Cc2nncn2C)cc1C(C)C 670466333 REIODBDYCNDGKH-UHFFFAOYSA-N 302.422 2.888 0 50 DFAA O=C(CCc1cn[nH]c1)N1CCCC[C@H]1CCc1ccccn1 952870223 YIZWPDQWSZFAHS-KRWDZBQOSA-N 312.417 2.751 0 50 DFAA O=C(NCCF)NCc1ccnc(Oc2ccccc2F)c1 408515529 DGVLRYXAFAUTMV-UHFFFAOYSA-N 307.300 2.782 0 50 DFAA O=C1CCN(C[C@@H](O)c2ccccc2)c2ccc(F)cc2N1 304803372 QCADRGNKVAMXNT-MRXNPFEDSA-N 300.333 2.708 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 408388797 XFNOVYFRFQTWNF-GOEBONIOSA-N 305.422 2.629 0 50 DFAA COc1cc(C)c(NC(=O)[C@H](C(=O)O)C2CCCC2)cc1F 663052650 VAESSPIYIWCARG-CQSZACIVSA-N 309.337 2.972 0 50 DFAA COc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1C1CC1 278416989 MREDZPDEEVXHEC-PKOBYXMFSA-N 323.392 2.961 0 50 DFAA CS[C@@H](C)CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190331622 PTDKGUGVRGOZMZ-QEJZJMRPSA-N 308.447 2.815 0 50 DFAA CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccccc2)n1 191844288 JCBHKZFLEXSETE-UHFFFAOYSA-N 303.387 2.717 0 50 DFAA COCc1cc(C(=O)Nc2cnn(C3CCCC3)c2C)no1 192745141 RAOZQYDUWMHPPT-UHFFFAOYSA-N 304.350 2.693 0 50 DFAA CCN(CC)[C@@H](C)CNC(=O)NCc1ccc2ncccc2c1 194013236 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319.792 2.907 0 50 DFAA O=C1CC[C@H](C(=O)N2CCCCC[C@H]2C=Cc2ccccc2)N1 1857533228 IHCBLVZWLKSTHZ-DLBZAZTESA-N 312.413 2.750 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)O)C1 237671443 OHJNUBDSCVGQFV-UONOGXRCSA-N 305.374 2.557 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1cc(Cl)ccc1O 239173584 OFHLMVJQLYKWLM-MUAIWGBPSA-N 315.756 2.603 0 50 DFAA CC(=O)N1CC[C@@H](Nc2cnccn2)c2ccc(F)cc2C1 253428073 HJNOYWJTKSZIOZ-OAHLLOKOSA-N 300.337 2.521 0 50 DFAA CCn1c([C@@H](C)Nc2ccnc(N(C)C)n2)nc2ccccc21 357492416 WRBKFNSORPSKJJ-GFCCVEGCSA-N 310.405 3.085 0 50 DFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc(F)cn1 358806072 IOROBTVQVFGUMA-MEBBXXQBSA-N 301.321 2.542 0 50 DFAA CS(=O)(=O)N1CCN(Cc2ccsc2)Cc2ccccc21 360052802 CGNSQJLTIBTUEO-UHFFFAOYSA-N 322.455 2.530 0 50 DFAA CC1(C)[C@H]2CN(S(=O)(=O)c3cccc4ccncc34)C[C@H]21 914192402 WCYYKZDLVJTANZ-OKILXGFUSA-N 302.399 2.511 0 50 DFAA O=S(=O)(CCNCc1ccc(Cl)c2cccnc12)C1CC1 840965422 GRIPWPMGORFDLA-UHFFFAOYSA-N 324.833 2.555 0 50 DFAA 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COc1cccc(CCCN2C(=O)N[C@@H](CC(C)C)C2=O)c1 121897370 RBHSEQLNNURFMR-HNNXBMFYSA-N 304.390 2.594 0 50 DFAA Cn1cc(C[C@@H]2CCN(C(=O)Nc3cc(F)cc(F)c3)C2)cn1 363327007 HOTRZWVDUBNYMA-NSHDSACASA-N 320.343 2.795 0 50 DFAA COc1ccc(C(=O)N2CCOCC[C@@H]2C)c(OCC2CC2)c1 372694647 XQCOUEGKCCPOAE-ZDUSSCGKSA-N 319.401 2.735 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 237419178 CZPQHUZTBNZELW-UKRRQHHQSA-N 311.385 2.826 0 50 DFAA Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CCc3[nH]nnc3C2)o1 284914505 TYUHRQQMYMZJPU-SWLSCSKDSA-N 314.389 2.565 0 50 DFAA Cc1cccc(CCNC(=O)N[C@H]2c3ccccc3O[C@H]2C)n1 288285707 IZKZCSNJJXQDQS-SUMWQHHRSA-N 311.385 2.754 0 50 DFAA O=C(c1ccn(C(F)F)n1)N1CCCN(c2ccccc2)CC1 220674493 RHCXDJXIZARKPA-UHFFFAOYSA-N 320.343 2.631 0 50 DFAA COc1cccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c1F 290792245 SYNAQAKZBYMEAN-NSHDSACASA-N 323.755 2.771 0 50 DFAA Cc1cc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)n(C)n1 91494612 QBHSQXMOPHCOTN-CQSZACIVSA-N 323.396 2.965 0 50 DFAA C[C@H](NC(=O)CN1CCCCCCC1=O)c1cccc(F)c1F 179431254 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Cc1cc2c(cc1CN1CCO[C@H]3CCCC[C@@H]31)OCCO2 1565515245 PKWYLFGTEMQHGL-HOTGVXAUSA-N 303.402 2.910 0 50 DFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cncc(Cl)c1 1565515523 XCPSDEBHGQZCLW-GJZGRUSLSA-N 324.808 2.605 0 50 DFAA Cc1nsc(C)c1CN1CCC[C@@H](c2nnc3n2CCC3)C1 408524770 ZAOFOZDSPHROGN-CYBMUJFWSA-N 317.462 2.677 0 50 DFAA C[C@H](CC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1)c1ccncc1 665977869 FSEVTAJDILWREN-JLSDUUJJSA-N 310.397 2.910 0 50 DFAA CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1ccc2[nH]ccc2c1 192942547 GJWGHFZVKXSXPJ-GHMZBOCLSA-N 303.362 2.877 0 50 DFAA C[C@@](CNC(=O)c1cc(F)cc(F)c1)(C(=O)O)c1ccccc1 193074882 ZZGQHVGTFYJSPX-KRWDZBQOSA-N 319.307 2.737 0 50 DFAA C[C@@H]1CCCN(C(=O)c2ccc(F)nc2)[C@H]1C(=O)OC(C)(C)C 585088759 JBIFWSOMQIGATF-BXUZGUMPSA-N 322.380 2.803 0 50 DFAA COC1(OC)CC2(CN(C(=O)c3cc(C)sn3)[C@H]2C(C)C)C1 585130119 ILQMTZRJTSWANP-ZDUSSCGKSA-N 324.446 2.701 0 50 DFAA COC1(OC)CC2(CN(C(=O)[C@H](C)CSC)[C@H]2C(C)C)C1 585130315 MUDWLIBOZUFDNT-OLZOCXBDSA-N 315.479 2.622 0 50 DFAA COC(=O)c1c[nH]c(SCc2nc3c(F)cccc3[nH]2)n1 193543062 KRULOCSWZGQJJX-UHFFFAOYSA-N 306.322 2.504 0 50 DFAA Cc1ncc(Cl)c(NC2CCN(Cc3cccnc3)CC2)n1 1772703775 QAOGQNMHGRCQJM-UHFFFAOYSA-N 317.824 2.910 0 50 DFAA COCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 12138649 CIOFSTBOSAVQOZ-UHFFFAOYSA-N 313.357 2.707 0 50 DFAA COc1ccc(Cc2c(O)nc(SCC(C)C)[nH]c2=O)cc1 12382381 MPJLWOFFKFZVJI-UHFFFAOYSA-N 320.414 2.823 0 50 DFAA c1ccc([C@@H]2CCCCN2Cc2nc(-c3cnccn3)no2)nc1 12429392 KULPTDGYSKYGCF-HNNXBMFYSA-N 322.372 2.649 0 50 DFAA CC(C)CCNC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12864190 BMKHRXRGOKMFDU-UHFFFAOYSA-N 320.408 2.840 0 50 DFAA CCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21 13549833 KGWAKTOXBNDXMD-IBGZPJMESA-N 321.380 2.842 0 50 DFAA biogenic CCC[C@H]1COC[C@H]2CN(c3ncc(Cl)cc3F)CCN12 1857714506 BXFKWWGTUDFEDB-QWHCGFSZSA-N 313.804 2.564 0 50 DFAA CCc1cc(C)c(C(=O)N(C)C[C@@H]2CCc3nccn3C2)o1 328618557 DWCJPYXDOSLXBN-ZDUSSCGKSA-N 301.390 2.682 0 50 DFAA O=C(O)C1CCC(NC(=O)[C@H](c2ccccc2)C2CC2)CC1 263197705 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NC(=O)c1ccc(CNc2cccc(-c3cncnc3)c2)cc1 1875309356 LBUHWTKXKWWCLD-UHFFFAOYSA-N 304.353 2.855 0 50 DFAA CC(C)C[N@@]1C[C@@H]1COc1cc(CO)cc(C(F)(F)F)c1 1875381146 LLTNFMHHOUJCCH-YJYMSZOUSA-N 303.324 2.917 0 50 DFAA Cc1cn(C)nc1CCNC(=O)NCc1cccc(C(C)C)c1 1875312940 UTIWQDVMVYDSIE-UHFFFAOYSA-N 314.433 2.894 0 50 DFAA C[C@H](NC(=O)NCc1ccc(CCO)cc1)c1ccsc1 894657971 YXCAFBGABXCVNK-LBPRGKRZSA-N 304.415 2.843 0 50 DFAA CCC(F)(F)CC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 1775989845 BPTYUKKSCZQTCX-UHFFFAOYSA-N 319.373 2.648 0 50 DFAA COC(=O)c1ccc(Nc2ccc(CC(=O)N(C)C)cc2)cc1 2100545050 GACVLQRWTQELOA-UHFFFAOYSA-N 312.369 2.848 0 50 DFAA CC1(c2noc(-c3ccc(-n4cccn4)cc3)n2)CCNCC1 2325787535 GDDZPPNAYKIEOJ-UHFFFAOYSA-N 309.373 2.563 0 50 DFAA CN(Cc1cccc(N(C)C)c1)C1=NC[C@@H](c2ccccc2)N1 2325863847 YTKGFWBQRIRHAX-SFHVURJKSA-N 308.429 2.885 0 50 DFAA Oc1cccc2sc(CN3CC[C@@H](Cn4ccnn4)C3)cc12 895229756 WYNFTCHUOKBRDG-GFCCVEGCSA-N 314.414 2.721 0 50 DFAA CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(OC)cc1C 309546 IOXLJAQFRAIPNC-UHFFFAOYSA-N 308.403 2.616 0 50 DFAA COC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1 425020 FCKUXWQPGFDVIU-UHFFFAOYSA-N 304.371 2.961 0 50 DFAA C[C@H]1CN(C2CC2)CCN1c1nnc(-c2ccccc2)s1 2356140022 QIQDEINUIRZMHE-LBPRGKRZSA-N 300.431 2.878 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 2884636 QVQQDKIQFHHVNY-AWEZNQCLSA-N 303.406 2.799 0 50 DFAA O=C(NCc1ccccn1)[C@@H]1CC(c2ccccc2Cl)=NO1 4458539 QRNHWSUBKUFYON-HNNXBMFYSA-N 315.760 2.544 0 50 DFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 4809557 SHHYQSWVARTAFU-UHFFFAOYSA-N 304.371 2.701 0 50 DFAA CCCCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1 6143568 BMLGSQWAAZQUTM-UHFFFAOYSA-N 320.414 2.739 0 50 DFAA COc1ccc(-c2cc(-n3cccn3)ncn2)c2cccnc12 20865707 DCVCTSNDFJBACK-UHFFFAOYSA-N 303.325 2.886 0 50 DFAA CC(=O)Oc1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)c1 101355551 AOGSLLJXHOPKLN-UONOGXRCSA-N 319.744 2.634 0 50 DFAA CCN(Cc1noc(CC(C)C)n1)C(=O)C(=O)c1cccs1 55343728 VTSDMWDSFOWAIO-UHFFFAOYSA-N 321.402 2.561 0 50 DFAA CCN1CCC(N(C)CCc2ccc(OC)c(OC)c2)CC1 23282407 SKJJOFUNHYQUMR-UHFFFAOYSA-N 306.450 2.662 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H](c2nccn2C)C(C)C)c1C 67561382 NPQUBBNOZFTSSW-CQSZACIVSA-N 316.405 2.695 0 50 DFAA O=C(NCCCn1ccnn1)N1CCCCC[C@@H]1c1ccco1 182482344 MGUDUPASGGJORF-CQSZACIVSA-N 317.393 2.588 0 50 DFAA Clc1ccccc1C[C@@H]1CN(CCCn2cccn2)CCO1 20295705 FMUFOGGJFKSAPL-MRXNPFEDSA-N 319.836 2.870 0 50 DFAA CC(C)O[C@@H](C)c1nnc(SCC(=O)O)n1-c1ccccc1 65387718 WUIFYUVIKNPZGO-NSHDSACASA-N 321.402 2.930 0 50 DFAA CCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2ccc(C(C)C)cc2)C1 229216814 NRSDSZJGPDOWPE-QZTJIDSGSA-N 318.461 2.692 0 50 DFAA CC[C@@H]1CN(CCO[C@H]2CCCC[C@H]2C)CCN1CCOC 252475306 XXGCSLUPIVLFFE-KURKYZTESA-N 312.498 2.624 0 50 DFAA Fc1ccc([C@H]2COCCN2Cc2nc(C(F)F)no2)cc1 425491606 MJTQPTJKHPWVNS-LLVKDONJSA-N 313.279 2.720 0 50 DFAA O[C@@H]1c2ccccc2C[C@@H]1N1CCO[C@H](c2cccs2)C1 253418696 VNKXAHRQWAOWOL-YQQAZPJKSA-N 301.411 2.780 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)C[C@@H](C)N1 153713723 NHKJNFUAOVCCOS-BETUJISGSA-N 320.408 2.575 0 50 DFAA Cc1nc(N(C)Cc2cccc3[nH]ccc23)c2cnn(C)c2n1 493607081 UBLAWEWOHSJJBZ-UHFFFAOYSA-N 306.373 2.789 0 50 DFAA Cc1nn(C(=O)OC(C)(C)C)cc1I 72232887 HSNIJDNISGAHCU-UHFFFAOYSA-N 308.119 2.579 0 50 DFAA C[C@@H]1CN(C(=O)c2cc3nccnc3cc2F)c2cccnc2O1 370122705 QNDSGMTUXKRMBY-SNVBAGLBSA-N 324.315 2.592 0 50 DFAA CN1C[C@]2(CCCN(Cc3cc4ccccc4o3)C2)OC1=O 72406902 PYKPTDPUHSKSSE-KRWDZBQOSA-N 300.358 2.849 0 50 DFAA NC(=O)[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCC(F)(F)C2)C1 281825534 GXWHRPYGHZMWGF-STQMWFEESA-N 322.355 2.503 0 50 DFAA CC(C)n1nccc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282403696 DQNHCUWXZICGFB-ZBFHGGJFSA-N 317.364 2.551 0 50 DFAA CO[C@H](Cn1cnc2ccc(F)cc2c1=O)c1cccs1 42936106 AASWKQCHMRBKPR-CYBMUJFWSA-N 304.346 2.985 0 50 DFAA O=C(COC[C@H]1CCCCO1)N1CCc2c(Cl)cccc2C1 220208145 BFBSHMKRBULBES-CQSZACIVSA-N 323.820 2.810 0 50 DFAA O=C(c1ccc2nc(-c3ccccc3)cn2c1)N1CCC[C@H]1CO 82156860 OEANLNUUYXIBHH-INIZCTEOSA-N 321.380 2.598 0 50 DFAA CCCn1nc(C)c(CN[C@@H]2CCOC3(CCOCC3)C2)c1C 82083525 XBIPIDPCZLQAJL-MRXNPFEDSA-N 321.465 2.728 0 50 DFAA CC(C)Cc1nc(CN(C)C(=O)C2Cc3ccccc3C2)no1 426496921 ONSRUUIRRDHUQP-UHFFFAOYSA-N 313.401 2.642 0 50 DFAA COc1ccc(C[C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1 238401139 KZXRAYHRGMMYMD-GFCCVEGCSA-N 309.362 2.606 0 50 DFAA COc1ccc(CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1 178122585 NGWALPIKVQNSPO-OKZBNKHCSA-N 308.381 2.833 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)COC(=O)O2 91754894 UQXWCHNRVGTRKW-UHFFFAOYSA-N 324.402 2.717 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCCNC2)c2cc(Cl)ccc2n1 96149858 FSYKTOKRTIOXRJ-GFCCVEGCSA-N 303.793 2.678 0 50 DFAA O=C(O)CCc1cc2n(n1)CCN(Cc1ccccc1Cl)C2 91350881 RRPQPCKHZSJZKI-UHFFFAOYSA-N 319.792 2.570 0 50 DFAA CC(C)N1CCC(C(=O)N2CCC[C@@H]2c2nccs2)CC1 95362244 KHIUHVLFJMFXBM-CQSZACIVSA-N 307.463 2.927 0 50 DFAA O=C1OCC2(CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)O1 92098721 MWLKJNHPQRJECQ-AWEZNQCLSA-N 315.369 2.635 0 50 DFAA C[C@H](C1CCN(c2ncccc2Cl)CC1)N1CCOCC1 95380344 RMFBFLJRBYXOCD-CYBMUJFWSA-N 309.841 2.672 0 50 DFAA COc1ccc(-c2cncc(C(=O)N(C)C)n2)c2ccc(C)nc12 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2.905 0 50 DFAA Cc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1 19774022 LMBRLQVDUMNJGV-UHFFFAOYSA-N 308.425 2.882 0 50 DFAA Cc1ccccc1NC(=O)NCCc1nnc(S)n1C(C)C 152884115 GZHUKXGSOLBGMX-UHFFFAOYSA-N 319.434 2.820 0 50 DFAA O=C(c1cc[nH]c1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857676216 LTEQXRFKMXKWJZ-UHFFFAOYSA-N 306.369 2.646 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2ccc(=N)[nH]c2)C[C@H](C(C)C)O1 1875250673 WBKAPTFMLMPRPU-HUUCEWRRSA-N 305.422 2.550 0 50 DFAA Cc1occc1CN1C[C@@H](C)O[C@@H](c2nc(C3CC3)no2)C1 623173468 HWYFYYRRVBAPNB-QMTHXVAHSA-N 303.362 2.810 0 50 DFAA C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1cn2c(n1)CCC[C@H]2C 333110056 DVJSDLKHHJZHCO-VXGBXAGGSA-N 323.462 2.732 0 50 DFAA Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c1 253599112 AEWOWTCGWZZVSH-OKZBNKHCSA-N 324.428 2.771 0 50 DFAA C[C@H](Cc1ccccc1F)NC(=O)c1cc2c(cn1)OCCC2 359743114 IHIPJNACCCURDO-GFCCVEGCSA-N 314.360 2.907 0 50 DFAA CC1(C)C[C@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)CCO1 151407898 HJRWCOQIELBXBL-SECBINFHSA-N 320.315 2.525 0 50 DFAA CC[C@@]1(NC(=O)c2cc(C)n(-c3ccc(F)cc3)n2)CCOC1 682976420 AXNDOBYUNOQPKB-QGZVFWFLSA-N 317.364 2.619 0 50 DFAA Cc1cc(CCNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)on1 366613297 YABJPHRPNXTNSL-OAHLLOKOSA-N 314.389 2.713 0 50 DFAA COc1cccc(CN[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1F 368515181 TWUSYKYUSBQAKZ-HIFRSBDPSA-N 320.408 2.715 0 50 DFAA COC[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccn1 1875357955 CZFPPBBXYXWECN-QGZVFWFLSA-N 322.368 2.589 0 50 DFAA CCn1nc(C)c(NC(=O)c2cnncc2C(F)(F)F)c1C 1875321882 ZURQLRDLJQHYSK-UHFFFAOYSA-N 313.283 2.581 0 50 DFAA CC(C)C[C@@H]1CCOCCN1C(=O)c1ccc2c(c1)ncn2C 1875308747 UWVZRWAOGIOAAF-HNNXBMFYSA-N 315.417 2.851 0 50 DFAA c1cncc([C@@H]2CNCCN2Cc2cc3ccccc3cn2)c1 2325773096 SHDUGXXEKJXWQM-IBGZPJMESA-N 304.397 2.776 0 50 DFAA C[C@@]1(C(=O)O)CCCN(Cc2cc3ccc(F)cc3nc2O)C1 2325773150 XDPUAYMCLKITMN-QGZVFWFLSA-N 318.348 2.766 0 50 DFAA Cc1nccn1CCOC(=O)c1cc2cccnc2nc1C1CC1 2325799641 MRRNVSQPMKZULW-UHFFFAOYSA-N 322.368 2.869 0 50 DFAA Cc1ccccc1Cn1cc(CN[C@@H]2CCc3n[nH]cc3C2)cn1 2325814034 HQKSVWOQBTZGJD-GOSISDBHSA-N 321.428 2.610 0 50 DFAA Cn1nc(CNC(=O)Nc2cccc(C3CC3)n2)cc1C1CC1 931552233 GXFJPPRLQIXTMW-UHFFFAOYSA-N 311.389 2.892 0 50 DFAA O=C(Nc1ccccc1)[C@H]1CCCCN1C(=O)c1cccnc1 151333999 MYLSJBXPYYATMA-MRXNPFEDSA-N 309.369 2.715 0 50 DFAA CCN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 220390 AFRLWKGONWZECG-UHFFFAOYSA-N 307.869 2.946 0 50 DFAA COc1cccc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)c1 306842 UZQCTQDVCMIONS-GFCCVEGCSA-N 323.352 2.605 0 50 DFAA CC(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1 2852963 PAMARVGRBQEVEP-UHFFFAOYSA-N 313.195 2.550 0 50 DFAA CCOc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 3909647 LNWKLUABQXUBFT-KRWDZBQOSA-N 313.353 2.542 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)CCCOc2ccccc2)C1 4819594 GLVLNTJOHXAINX-HNNXBMFYSA-N 319.401 2.647 0 50 DFAA COc1ccccc1-c1noc([C@@H](C)NC(=O)C(C)(C)C)n1 4998252 VPIMAJMEIZLDCC-SNVBAGLBSA-N 303.362 2.969 0 50 DFAA Cc1ccn2cc(C(=O)N3CCN(c4ccccc4)CC3)nc2c1 8280916 YOJKGFRLNJLOHI-UHFFFAOYSA-N 320.396 2.605 0 50 DFAA CS(=O)(=O)Nc1cccc(C(=O)NC2CCCCCC2)c1 10314397 IJJBYRFWDIZXTN-UHFFFAOYSA-N 310.419 2.511 0 50 DFAA O=c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2o1 224189804 GMRHFCCCJLLFAZ-UHFFFAOYSA-N 322.349 2.920 0 50 DFAA O[C@@H](CNc1cc(N2CCCC2)ncn1)c1ccc(Cl)s1 225480117 MWIFOJRIVCAFJV-JTQLQIEISA-N 324.837 2.937 0 50 DFAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCCOC1=O 55326588 VTNQXNADMDRKJY-UHFFFAOYSA-N 320.433 2.551 0 50 DFAA CCC(=O)c1ccc(OCC(=O)NCCC[C@@H]2CCOC2)cc1 55134327 XBWUIRODEBNELP-CQSZACIVSA-N 319.401 2.591 0 50 DFAA CCc1ccc(OCCN(C)C(=O)c2n[nH]c3c2CCC3)cc1 55357999 FYVAIBHZIJMDMM-UHFFFAOYSA-N 313.401 2.612 0 50 DFAA O=C1CC[C@@H](C(=O)N2CC=C(C(F)(F)F)CC2)n2cccc21 345208219 RXZWRAQXNLLYHY-LBPRGKRZSA-N 312.291 2.727 0 50 DFAA CCc1c(C(=O)N2CCC[C@]3(CCNC3)C2)[nH]c2ccccc12 67789614 GJYGKVWLYCYMFT-LJQANCHMSA-N 311.429 2.946 0 50 DFAA O=C(c1cc(F)c(F)c(F)c1F)N1CC[C@H](O)CC12CCC2 422016003 GBKCYAPVFLPYDM-QMMMGPOBSA-N 317.282 2.763 0 50 DFAA CCc1cc(CN(C)[C@@H](CC)C(=O)NC2CCCCC2)on1 65454698 COOGMLHPOZETHG-INIZCTEOSA-N 307.438 2.896 0 50 DFAA CC(C)=CC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 11843785 LNOFLNFFFZSEIO-SFHVURJKSA-N 305.393 2.936 0 50 DFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@@H]1C 252506331 VZIGUIBTRFMJAU-ZSZQSSIHSA-N 315.413 2.809 0 50 DFAA COc1cccc(C2=NO[C@H](C(=O)NCc3ccccc3)C2)c1 3957757 BFWUHZWSBYKMMJ-KRWDZBQOSA-N 310.353 2.505 0 50 DFAA biogenic CCOc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@H]2O)cc1 252675858 VHMIKAKPZKLXAS-JGGQBBKZSA-N 306.406 2.607 0 50 DFAA CN1Cc2ccc(CN(C)C(=O)c3n[nH]c4ccccc34)cc2C1 216542062 ZJHQWFBJIRCDLL-UHFFFAOYSA-N 320.396 2.781 0 50 DFAA C1CCc2sc(CN[C@H]3CCOC4(CCOCC4)C3)nc2C1 77376025 DQHBKFDFRPLBHP-ZDUSSCGKSA-N 322.474 2.840 0 50 DFAA CCC1(CC)[C@@H](N(C)c2cc(=O)n3ccccc3n2)C[C@H]1OC 151064743 MZYBRZRFFOOPCF-UONOGXRCSA-N 315.417 2.724 0 50 DFAA Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 253408071 UPDNSTSGPKISOE-GXFFZTMASA-N 312.772 2.749 0 50 DFAA Cc1ccnc(CNC(=O)c2cnn(Cc3ccccc3)c2C)c1 357363406 VGKPZTHROKYPDH-UHFFFAOYSA-N 320.396 2.873 0 50 DFAA Cc1cccnc1[C@H]1CCC[C@@H](NCc2nc(N(C)C)no2)C1 328588125 VYXDYHFMFBFEMP-UONOGXRCSA-N 315.421 2.655 0 50 DFAA CC1(C)CN(Cc2nc(CC(F)(F)F)no2)[C@H]1[C@@H]1CCCO1 329768392 DRJGWMJOQFJYNT-CABZTGNLSA-N 319.327 2.564 0 50 DFAA C[C@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)N1CCCC1 72419675 VAFUEZRWXRLSIK-OAHLLOKOSA-N 318.461 2.604 0 50 DFAA Cc1cccc(NC[C@@H]2CCCN2Cc2cnc3cnccn23)n1 362087806 SWDLCRSTQJHTJJ-HNNXBMFYSA-N 322.416 2.509 0 50 DFAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H]2CCCN[C@@H]2C1 77299148 SSUQQHOMLKLNIY-GOEBONIOSA-N 306.837 2.873 0 50 DFAA Fc1ccc(CC[C@H]2CCCN(CCCn3cnnn3)C2)cc1 72150175 PPNFGSNXPUSVQZ-MRXNPFEDSA-N 317.412 2.547 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)N2CCC(CCO)CC2)c1 72479819 WBKZSFZBVDKLBG-UHFFFAOYSA-N 319.445 2.625 0 50 DFAA c1nc(N2CCCCC2)cc(N2CCC3(CCOCC3)CC2)n1 376485478 OFRUUVVHJPERFQ-UHFFFAOYSA-N 316.449 2.864 0 50 DFAA Cc1nc(CNC(=O)NCc2c(C)c(C)c(C)c(C)c2C)no1 158816947 FVEXKLYCUDCGHY-UHFFFAOYSA-N 316.405 2.920 0 50 DFAA Nc1nc(CNc2nccc(CCC(F)(F)F)n2)cs1 71639339 ZUCJWJZIRMZFKW-UHFFFAOYSA-N 303.313 2.622 0 50 DFAA CN(Cc1cnccn1)C(=O)N[C@H]1CCc2c(Cl)cccc21 172280642 WTCGJYXJPRHXCD-HNNXBMFYSA-N 316.792 2.959 0 50 DFAA C[C@@H]1CCC[C@@H](C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)C1 455879700 DGSNZOJGGYWTRP-XFJVYGCCSA-N 317.385 2.690 0 50 DFAA O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](N2CCCC2)CC1 132380641 DTECPYPDFNELQC-HNNXBMFYSA-N 312.417 2.653 0 50 DFAA CCn1cc(CNCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cn1 91270389 SEVIESXRRWEYDP-UHFFFAOYSA-N 310.401 2.651 0 50 DFAA Cc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc4C3)C2=O)cc1 96299657 FIUDVMWYIRUWDG-GOSISDBHSA-N 320.392 2.685 0 50 DFAA CCOC(=O)c1cccc(NC(=O)N[C@H](C)C2CCOCC2)c1 178174424 DPTXWRFIGAXKTE-GFCCVEGCSA-N 320.389 2.800 0 50 DFAA CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](CN)C1 178542980 RVLXGYZAMXXZGG-VMFRVMOISA-N 302.418 2.684 0 50 DFAA C[C@@H](Cc1cccc(O)c1)NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333761039 PEBAQPAHCMTGEC-GIVGJKMXSA-N 312.413 2.787 0 50 DFAA Cc1ccc([C@H](CNc2ncnc3onc(C)c23)N(C)C)o1 91492949 AQWBLQCKPXIUEJ-NSHDSACASA-N 301.350 2.542 0 50 DFAA CC[C@@H](C)NC[C@H](O)COc1cc(C)c2c(c1C)C(=O)CCC2 96028076 YPKNCFXXBAPHAB-HIFRSBDPSA-N 319.445 2.950 0 50 DFAA Cc1c(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cnn1C 95374711 BQAXBQXNZYAPLD-INIZCTEOSA-N 313.401 2.806 0 50 DFAA COc1ccccc1C1CCN([C@@H](C)C(=O)N2CCCC2)CC1 244646896 GRBOMQPBNUALFR-HNNXBMFYSA-N 316.445 2.886 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)c(C)cc1Cl 299746360 WVDDZKCXPULSPI-ZDUSSCGKSA-N 318.808 2.853 0 50 DFAA Cc1n[nH]cc1CN(C)C(=O)c1[nH]c(-c2ccccc2)nc1C 952975732 SWXVCVPHAQQZBO-UHFFFAOYSA-N 309.373 2.689 0 50 DFAA Cc1cc(C(C)C)nc(N2CCN(c3ncc(C)s3)CC2)n1 302906682 XAZUNXPAWFIVPU-UHFFFAOYSA-N 317.462 3.000 0 50 DFAA NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 170611186 VPAKRODMCGWPPY-JKSUJKDBSA-N 300.402 2.728 0 50 DFAA Cc1nc(CN(CCN2CCOCC2)c2ccccc2)cs1 170652565 IEVOXMDGIAFRBN-UHFFFAOYSA-N 317.458 2.790 0 50 DFAA CCSc1cc(CNC(=O)N2C[C@@H](C)O[C@H](C)C2)ccn1 188383326 GFGNVOJAHCQNLP-VXGBXAGGSA-N 309.435 2.512 0 50 DFAA CCn1c(CC(F)(F)F)nnc1N1CCCC[C@@H](COC)C1 647391353 HQAHPDWVPOJFRD-LLVKDONJSA-N 320.359 2.656 0 50 DFAA CC1(C)C(CNC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1(C)C 684420580 QTUZBENTPCKWAH-GFCCVEGCSA-N 304.438 2.981 0 50 DFAA Cc1nc2ccc(C(=O)N3CCC[C@H](OC(C)C)C3)cc2n1C 650325484 KQUZLDRHPMUFOI-HNNXBMFYSA-N 315.417 2.911 0 50 DFAA COc1cc(F)cc2sc(NC(=O)C3CCC(O)CC3)nc12 194283472 NAURRZOZMUGIOJ-UHFFFAOYSA-N 324.377 2.934 0 50 DFAA O=C(O)C[C@H]1CN(S(=O)(=O)c2ccsc2)c2ccccc21 794758464 HIVOOFZWXZZBID-JTQLQIEISA-N 323.395 2.515 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)c1ccncc1Cl)C1CC1 1506415986 RUABHWJLBBMKNU-UHFFFAOYSA-N 318.808 2.890 0 50 DFAA CC[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CC[C@]1(C)O 211227577 HISKXPVJYUVYFP-QAPCUYQASA-N 303.402 2.659 0 50 DFAA NC(=O)c1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 13327218 XWCCUPAXFGDDOD-UHFFFAOYSA-N 322.723 2.596 0 50 DFAA CC1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 18107365 SSCHCWIONRQBKW-AWEZNQCLSA-N 306.793 2.704 0 50 DFAA Cc1cc(O)nc(C)c1NC(=O)CCc1ccc2c(c1)OCO2 1875241887 XNKNQRRURGWDMG-UHFFFAOYSA-N 314.341 2.704 0 50 DFAA O=C(O)c1cccc(CNC(=O)c2ccnn2C2CCCC2)c1 431650931 GVPXULWGRIJYAF-UHFFFAOYSA-N 313.357 2.626 0 50 DFAA CC(C)c1nccn1Cc1cc(=O)n2cc(Cl)ccc2n1 123628492 OUEXRGGEWBLARK-UHFFFAOYSA-N 302.765 2.716 0 50 DFAA Cc1ncc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCCNCC1 638192936 MHRUWMCQWGTKMY-GFCCVEGCSA-N 315.339 2.623 0 50 DFAA Cc1oncc1CN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 158652017 UKXJAIMQRIGNSN-OAHLLOKOSA-N 319.792 2.874 0 50 DFAA CCNC(=O)C[C@H]1CCCCN1Cc1nc2ccc(F)cc2o1 585081367 NURLPLCVVPXTJY-CYBMUJFWSA-N 319.380 2.848 0 50 DFAA O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCCNC1 164653190 OGERNWMSJKSCEM-HNNXBMFYSA-N 311.385 2.599 0 50 DFAA Cn1cnnc1[C@@H]1CCCN1Cc1cnc(-c2ccccc2)o1 930156761 DHEFPIWNOBDFPK-HNNXBMFYSA-N 309.373 2.807 0 50 DFAA CCc1ccc([C@H](O)CNC(=O)c2cn(C(C)C)nc2C)cc1 848062623 ZAXNSIRMAMUBHZ-QGZVFWFLSA-N 315.417 2.798 0 50 DFAA COc1ccc2c(c1)O[C@@]1(C3CC(F)(F)C3)C[C@H]2NC(=O)N1 1875294865 XWXQEIDKQOCMNO-IAQYHMDHSA-N 310.300 2.573 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NCc2ccn(CC(C)C)n2)[nH]1 1875299171 BOCLJEVAMSKRPM-UHFFFAOYSA-N 322.416 2.734 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CN(CCO)C2CC2)C1 1875317977 ILTRXZPVZOQDQM-UONOGXRCSA-N 312.454 2.527 0 50 DFAA N[C@]1(c2cccc(F)c2)CCN(c2nc(CC3CC3)ns2)C1 1875405266 BMKAHSFNUAXOCZ-MRXNPFEDSA-N 318.421 2.694 0 50 DFAA COc1ccc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 890258679 VJNNQUIDSVNPEB-INIZCTEOSA-N 318.417 2.839 0 50 DFAA C[C@@]1(C2CC2)COCCN1C(=O)c1cnnc(-c2ccccc2)c1 890589383 OEIQTVFXZBLVMB-IBGZPJMESA-N 323.396 2.785 0 50 DFAA CN(C)[C@@]1(C)CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C1 1775987314 AADYGFNQESRTBJ-KRWDZBQOSA-N 319.836 2.916 0 50 DFAA COC(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 128862 PHORRMNQBMEWSQ-UHFFFAOYSA-N 315.325 2.743 0 50 DFAA Cc1cc2n(n1)CCN(C(=O)[C@@H]1CC(C)(C)[C@@H]1C(F)(F)F)C2 2325774490 MRRQQTSWGVASGX-VXGBXAGGSA-N 315.339 2.758 0 50 DFAA COc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187760 PVTSPWQHECKMLA-SJORKVTESA-N 322.364 2.865 0 50 DFAA biogenic CCc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O 382789 XJQSVFFRSHDPMV-UHFFFAOYSA-N 318.398 2.873 0 50 DFAA Cc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 582479 PCMUZPDTUQMYSX-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA CN(Cc1cc(-c2ccncc2)no1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356142309 NBPVOAYATXTECS-GEEKYZPCSA-N 313.401 2.718 0 50 DFAA O=C(NCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2494634 PWYMKFBXEVBFNK-UHFFFAOYSA-N 302.761 2.637 0 50 DFAA O=C1OCCN1c1cccc(OCc2ccc3c(n2)NCC3)c1 2356158542 OFVVNQXMNQQNJK-UHFFFAOYSA-N 311.341 2.585 0 50 DFAA Cc1nc(SCC(=O)Nc2nccs2)nc2c1CCCC2 2884739 GNRDABVOTXGKTJ-UHFFFAOYSA-N 320.443 2.851 0 50 DFAA COc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)cc1 6701238 NIAIGZBGIRTYHP-UHFFFAOYSA-N 323.352 2.984 0 50 DFAA COc1cccc2cc(C(=O)N[C@@H](C)c3ccncc3)c(=O)oc12 6715678 RACUKNRYZCPUHR-NSHDSACASA-N 324.336 2.688 0 50 DFAA CCc1ccccc1CC(=O)Nc1ccc(N2CCNC2=O)cc1 225496514 MUUFOAKRDWQDNO-UHFFFAOYSA-N 323.396 2.960 0 50 DFAA C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1C[C@H]2CC[C@H]1C2 343405800 OARXLEBNRABZDD-BBAVMRQUSA-N 303.450 2.912 0 50 DFAA O=C(CCN1CC[C@@H]2OCCC[C@H]2C1)Nc1cccc(F)c1 246659616 LOPJHPSTWFTRLZ-BBRMVZONSA-N 306.381 2.655 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)[C@H](C)c2nccs2)n(C)n1 65499413 YOOUBOAHLBUKBA-LLVKDONJSA-N 306.435 2.908 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCCn2nc(C)c(Cl)c2C)n1 67725121 JFJAMPNJKYCLNH-NSHDSACASA-N 309.845 2.645 0 50 DFAA O=C(c1ccc(Cl)cc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 204588 UBZVKTMQGSPHBJ-GFCCVEGCSA-N 324.661 2.761 0 50 DFAA CC(C)Cn1cc(C(=O)Nc2cc(-c3ccco3)nn2C)cn1 252483059 DTLGUCKWYNBCPJ-UHFFFAOYSA-N 313.361 2.785 0 50 DFAA Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3)nc1 252502664 USQMEAQOABJKEL-UHFFFAOYSA-N 324.384 2.939 0 50 DFAA COc1ccc2c(c1)[C@@](O)(CN[C@H]1C[C@H](C)O[C@H](C)C1)CCC2 252512807 VWIJCIOGOZTDID-MVWRLGRASA-N 319.445 2.765 0 50 DFAA Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C)s1)C2 229346335 GDHXEWIVGXFWFA-IHRRRGAJSA-N 315.442 2.796 0 50 DFAA C1CCc2sc(CN[C@@H]3CCOC4(CCOCC4)C3)nc2C1 77376021 DQHBKFDFRPLBHP-CYBMUJFWSA-N 322.474 2.840 0 50 DFAA Cc1ccc(C2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)cn1 329343396 SZTZRTJJJKONMF-MRXNPFEDSA-N 324.428 2.555 0 50 DFAA CO[C@H]1C[C@@H](C(=N)O)N(Cc2cn(C)nc2C2CCCCC2)C1 331568568 KBPSRHFEPFTTPN-GJZGRUSLSA-N 320.437 2.592 0 50 DFAA CCc1ccnc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 331920517 LPZNZKYBSMRZDV-DOTOQJQBSA-N 314.360 2.731 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N1c2ccccc2NC(=O)[C@@H]1C 371937164 KKTTYBZNJBPEIA-JTQLQIEISA-N 311.341 2.848 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2O)c1 72119377 QAAVVBPODSJDGL-PMPSAXMXSA-N 305.418 2.833 0 50 DFAA CCOc1ccccc1CCC(=O)N1CCC[C@H]([C@H](C)N)C1 236906769 SVROPWWJPHAQET-HOCLYGCPSA-N 304.434 2.604 0 50 DFAA Cc1ccc(-c2nnn(CC(=O)N(C)c3cccc(C)c3)n2)cc1 171297725 YNZBWKXVSPCDMF-UHFFFAOYSA-N 321.384 2.620 0 50 DFAA COc1ccc(-n2cccn2)c(CN2CC(c3ccncc3)C2)c1 72131755 OOXITEKSLGBFOU-UHFFFAOYSA-N 320.396 2.875 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cc(F)ccc1F 237972735 YKQRQFMVVFQYTB-LKTVYLICSA-N 323.339 2.752 0 50 DFAA O=C(NCC1(N2CCCC2)CCCCC1)c1cccc(O)c1 222669290 SBCFMEJYDDZPOA-UHFFFAOYSA-N 302.418 2.921 0 50 DFAA Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)c(=O)[nH]c2ccccc12 146413181 HFTJZMFHXUYZNX-UHFFFAOYSA-N 322.320 2.787 0 50 DFAA COCC[C@@]1(CO)CCCN(C/C=C/c2ccc(F)cc2)C1 91934333 UNQJCJIMTSIUQG-BWDYHRDRSA-N 307.409 2.950 0 50 DFAA O=C(O)[C@H]1CN(C(=O)Cc2noc3ccccc23)c2ccccc21 177471340 XYRUBUGIWTXCQG-ZDUSSCGKSA-N 322.320 2.585 0 50 DFAA CN1CCC[C@H](CCC(=O)N2CC(Oc3ccccc3F)C2)C1 95354841 VWNYAMQSRBRWSS-CQSZACIVSA-N 320.408 2.537 0 50 DFAA Cc1c(Cl)cc(C(=O)NCCCn2ccnn2)cc1Cl 91526406 HPVFVQNGMIRIAK-UHFFFAOYSA-N 313.188 2.713 0 50 DFAA Cc1cc(C)c2c(N(C)Cc3nc(C(C)C)no3)ncnc2n1 95352248 CDQGLOQGVINMTR-UHFFFAOYSA-N 312.377 2.784 0 50 DFAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)NCCc1cccnc1 96164682 WEZZJMMYYCTOLM-ZDUSSCGKSA-N 313.405 2.922 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](CN)C1 178526531 SXPQYYGBQRXVPS-ZJUUUORDSA-N 317.216 2.568 0 50 DFAA Cn1cc([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 96113613 HEMFWWKYRPPEJT-OAHLLOKOSA-N 320.348 2.931 0 50 DFAA biogenic CO[C@H]1CN(C(C)C)C[C@@H]1Nc1nc(C)nc2ccsc12 91444527 HLBZUFBLASZGDK-STQMWFEESA-N 306.435 2.519 0 50 DFAA CCN1C[C@@H](C(=O)N(CC)Cc2ccc(SC)cc2)CC1=O 95383998 NVZDFNKEMVLVCT-AWEZNQCLSA-N 320.458 2.625 0 50 DFAA C[C@@H](C(=O)Nc1nncs1)N(C)CCSc1ccccc1 244723754 MGSBVMRRYGQBJD-NSHDSACASA-N 322.459 2.589 0 50 DFAA COC(=O)[C@H](NC(=O)c1ccc(C)o1)c1ccc(F)c(C)c1 183810593 CTXDLJGHTRBUIT-CQSZACIVSA-N 305.305 2.680 0 50 DFAA C[C@@H]1CN(C(=O)N[C@H](C)c2cccc(O)c2)CCN(C2CC2)C1 297267657 ORFKZVOMZWSUJT-UONOGXRCSA-N 317.433 2.579 0 50 DFAA O=C(NCC1CCCCC1)[C@@H]1CCCN1C[C@H]1CCC=CO1 253370363 PVSFBYAHONVDHR-SJORKVTESA-N 306.450 2.840 0 50 DFAA CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccncc2N)c1 534584936 VZVHDMPMJCHFQX-INIZCTEOSA-N 324.428 2.545 0 50 DFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc[nH]c1 1940197192 YFRHMTWFWAQCGN-QAPCUYQASA-N 321.380 2.550 0 50 DFAA Cc1noc(C)c1CCC(=O)N[C@H]1COC2(CCCCC2)C1 299800403 SDVMGNDLLGUDAU-CQSZACIVSA-N 306.406 2.832 0 50 DFAA C[C@H](CC(=O)N1CC(Oc2ccccc2Cl)C1)n1ccnc1 299802713 WBMSRHPUKSGKGX-GFCCVEGCSA-N 319.792 2.777 0 50 DFAA CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CCNCC2)C1 669371661 OQGDMOZDAOFOTF-UHFFFAOYSA-N 318.417 2.938 0 50 DFAA C[C@@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccc(F)cc1F 584901665 ABPNFZZQMRSVOZ-GFCCVEGCSA-N 323.387 2.906 0 50 DFAA c1coc(CN2CCC(N3CCC[C@@H](c4ncc[nH]4)C3)CC2)c1 670472325 FBGDGJOCMOJRHT-OAHLLOKOSA-N 314.433 2.847 0 50 DFAA Cc1ccc(SCCCN(C)C(=O)N[C@@H](C)C(=O)O)cc1 670450805 WDBZTKSRBXBNMY-LBPRGKRZSA-N 310.419 2.592 0 50 DFAA Cc1conc1CNc1nc(-c2ccccn2)nc2c1CCC2 1333474918 SRVPOWUZNWBZIF-UHFFFAOYSA-N 307.357 2.936 0 50 DFAA C[C@H]1CN(C(=O)c2cc(C3CC3)no2)CC[C@]1(O)C1CCC1 1565511323 AVDMXBRZYADUQX-APPDUMDISA-N 304.390 2.565 0 50 DFAA Cc1oc2ccccc2c1CNC(=O)N1CCN(C2CC2)CC1 185601147 PQGGLYOAZGANPH-UHFFFAOYSA-N 313.401 2.731 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)NCc2ncoc2C)C12CCCCC2 170591735 LUPUFTJVWSBVOU-HUUCEWRRSA-N 321.421 2.910 0 50 DFAA CN(CCc1ccnn1C)Cc1csc(Br)c1 170607388 SFMSNSIYSOWMMB-UHFFFAOYSA-N 314.252 2.919 0 50 DFAA c1cnn(CC2CCN(CC3CCC4(CC3)OCCO4)CC2)c1 190221115 ZJPHKSCAJCRVQF-UHFFFAOYSA-N 319.449 2.528 0 50 DFAA O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cn[nH]c1 195460801 XSDABCNAPVHLFW-UHFFFAOYSA-N 312.304 2.666 0 50 DFAA Cc1ncsc1CCN(C)C(=O)CCc1c(C)noc1C 1506400362 DEILOZMLLGIRLT-UHFFFAOYSA-N 307.419 2.690 0 50 DFAA COc1cccc([C@H]2CCN(Cc3ccncc3F)C[C@@H]2O)c1 209827807 SJQOCJDDINNBGU-AEFFLSMTSA-N 316.376 2.580 0 50 DFAA CCC[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@@H]1NC(C)=O 216304986 DNQRXAXVDBMTQL-ROUUACIJSA-N 314.429 2.552 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)n(C)n1 12074933 WJLSVXJUIPQDBG-MRXNPFEDSA-N 318.465 2.503 0 50 DFAA Cc1cnnc(N2CCC(c3nnc4ccccn34)CC2)c1C 1857676426 SMGRGVRTAHKASJ-UHFFFAOYSA-N 308.389 2.520 0 50 DFAA Cc1cnc(C(=O)N2CCCCC[C@@H]2c2noc(C)n2)c(O)c1 408376557 XDPDRSGBQDWPOW-GFCCVEGCSA-N 316.361 2.545 0 50 DFAA Cc1ccc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)c(F)c1 487694437 LIAICXPPGCLQLH-UHFFFAOYSA-N 300.289 2.831 0 50 DFAA COC1(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)CCOCC1 375221503 YREOPYGLPIOENB-INIZCTEOSA-N 317.429 2.815 0 50 DFAA Cc1nccc(NC(=O)NCC[C@H]2OCCc3ccccc32)n1 930837924 PQWMXXBWILHFCY-OAHLLOKOSA-N 312.373 2.611 0 50 DFAA C=CC(=O)N(C)CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C 860026097 OSUACLCFBKENOK-INIZCTEOSA-N 324.371 2.813 0 50 DFAA CCCC1(O)CCN(C(=O)CCN(C)c2ccccc2)CC1 952845912 KJXHWLRXJOIXQG-UHFFFAOYSA-N 304.434 2.667 0 50 DFAA Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H]1CCC[C@H]1O 1875265838 YOBRGMSSRSCQAC-HUUCEWRRSA-N 304.777 2.840 0 50 DFAA COc1cc(N[C@H](C)C2(O)CCOCC2)c(Cl)c(OC)c1 1875284606 BCFCMYUZPMXAMA-SNVBAGLBSA-N 315.797 2.699 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@H](C[C@H](C)C(=O)O)C2)on1 1875323985 XHGCTJQWEPMNNF-NWDGAFQWSA-N 308.378 2.761 0 50 DFAA O=C(N=S1(=O)CCCCCC1)[C@H]1COC[C@H]1c1ccccc1 1875396605 OIBNJVNYKCHMOY-HOTGVXAUSA-N 321.442 2.985 0 50 DFAA CCn1nc(COc2ccccc2)nc1-c1cc2n(n1)CCC2 1875331037 MFQUCJFOGBKLIU-UHFFFAOYSA-N 309.373 2.687 0 50 DFAA O[C@@H]1CCN(c2ccn3nccc3n2)[C@@H]1c1ccc(Cl)cc1 1875392679 NPYFCKLSRLMFDM-CZUORRHYSA-N 314.776 2.695 0 50 DFAA C[C@@H](C(=O)N1CCC[C@H](NC2CCOCC2)C1)c1ccccc1 877871920 XNOXZBMFTTWDEN-QAPCUYQASA-N 316.445 2.550 0 50 DFAA Cc1nnc([C@H]2CCCN(Cc3nc(CC(C)C)no3)[C@H]2C)o1 886078326 VSCRRNADHQUPKC-AAEUAGOBSA-N 319.409 2.728 0 50 DFAA O=S(=O)(Cc1cccc2cccnc12)N1CCCC[C@H](F)C1 1776002263 GLODUPOALYOGFW-HNNXBMFYSA-N 322.405 2.889 0 50 DFAA CCC1(CC)Cc2ccccc2C(CC(=O)N2CCOCC2)=N1 100052828 OTJWJIHLJPXXRQ-UHFFFAOYSA-N 314.429 2.840 0 50 DFAA Cc1nc(-c2ccc(O)nc2C(C)C)n(C2CCN(C)CC2)n1 2100556812 IKEMYSYTNSBFLE-UHFFFAOYSA-N 315.421 2.744 0 50 DFAA Cc1cn(C(C)(C)C(=O)NCc2cccc(-c3ncc[nH]3)c2)cn1 2325762191 VYTHTEIHDPAORT-UHFFFAOYSA-N 323.400 2.633 0 50 DFAA Cc1nn(C)cc1CN1C[C@@H](C(=O)O)CCC12CCCCC2 2325791934 KKIVGGFFPNRTTH-AWEZNQCLSA-N 305.422 2.728 0 50 DFAA COCC[C@H]1CNCCN1Cc1ccc(Cl)c2cccnc12 903836117 DFDXXBVXBAXNNK-AWEZNQCLSA-N 319.836 2.699 0 50 DFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1 48745 FQVJFAYRXJXFEY-CQSZACIVSA-N 316.382 2.510 0 50 DFAA Cc1cc(C)cc(OC(=O)CN2C(=O)c3ccccc3C2=O)c1 129738 IHCJXBRZVBSIHE-UHFFFAOYSA-N 309.321 2.505 0 50 DFAA CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 181822 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0 50 DFAA CCc1cc(N2CCC[C@H](Nc3ncc(Cl)cn3)C2)ncn1 267084488 LAIUKXMPPHJBPK-ZDUSSCGKSA-N 318.812 2.563 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)cc1C 393249858 AMBBUABPCXCRHR-OLZOCXBDSA-N 300.324 2.798 0 50 DFAA CC1(C)NC(=O)CC[C@H]1NC(=O)Nc1ccc(C(F)F)cc1 933097207 PUNHWXZCNPTGCY-LLVKDONJSA-N 311.332 2.803 0 50 DFAA CC(C)(CNCc1cccnc1O)c1ccc2c(c1)OCCO2 1875284775 LWASYTGKOKKXHH-UHFFFAOYSA-N 314.385 2.626 0 50 DFAA N[C@]1(C(=O)Nc2cccc(Cn3ccnc3)c2)CC2CCC1CC2 1875277119 IWJNIPXUKBGIQB-GSQSYGFSSA-N 324.428 2.778 0 50 DFAA CC(C)(C)C[C@H](CO)N(C=O)Cc1cccc(-n2cccn2)c1 1875325614 QPTGTJJJIHMMHJ-QGZVFWFLSA-N 315.417 2.628 0 50 DFAA COC(=O)c1cc(OC[C@@H]2C[N@]2CC(C)C)c2ccoc2c1 1875381397 TVUJRYLICGLZLU-UGSOOPFHSA-N 303.358 2.938 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1C(=O)NC(C)(C)c1ccc2c(c1)OCO2 885721933 UYEBXOSNSMVMKT-XJKSGUPXSA-N 319.401 2.828 0 50 DFAA O=S(=O)(Cc1cnn(CCF)c1)[C@H]1CCCc2ccccc21 899474159 PWFINJKNNLHMCV-INIZCTEOSA-N 322.405 2.845 0 50 DFAA CCc1ccccc1NC(=O)C(=O)NCCc1ccc(F)cc1 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310.239 2.825 0 50 DFAA O=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCCC1 71761291 SMRFTJZBDKCNAV-MRXNPFEDSA-N 322.836 2.726 0 50 DFAA O=C(Nc1ccc(N2CCCC2=O)cn1)c1ccc2c(c1)CCC2 151710537 XGNZDLZGKWDUTO-UHFFFAOYSA-N 321.380 2.949 0 50 DFAA O=C(Cc1ccsc1)N1CCCC[C@H]1CCn1cccn1 77286346 MTBULKQCGBWXPW-HNNXBMFYSA-N 303.431 2.959 0 50 DFAA O=C(Nc1ccc(C(=O)O)cc1)C(=O)c1c[nH]c2ccccc12 71769302 IRJFFDLYONAQRQ-UHFFFAOYSA-N 308.293 2.688 0 50 DFAA CC(C)=CCN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 39447203 HYAOTGKRVRUIRT-GOSISDBHSA-N 306.425 2.661 0 50 DFAA CCCn1ccnc1CN1CCC(Oc2cccnc2)CC1 215679223 SZSBLARQTFJKHT-UHFFFAOYSA-N 300.406 2.732 0 50 DFAA CC(C)C[C@H]1CN(C(=O)c2ccc(CN(C)C)o2)CC[C@@]1(C)O 72150545 QLFXYBJLSDOBRZ-KBXCAEBGSA-N 322.449 2.600 0 50 DFAA COc1cc(NC(=O)C2(OC)CCCCC2)ccc1C(=O)O 263029515 UXLGXIIEJOHEJC-UHFFFAOYSA-N 307.346 2.681 0 50 DFAA O=C(Nc1cncc(F)c1)N1CC[C@H](CN2CCCCC2)C1 281280796 BUPMUWWYWMFQSW-CYBMUJFWSA-N 306.385 2.560 0 50 DFAA Cc1ncsc1CCC(=O)N(C)CCc1scnc1C 85479377 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Cc1cccc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1Cl 179143484 APAAKAYEQSRVFN-NSHDSACASA-N 308.809 2.778 0 50 DFAA Cc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1 91713993 LHSDUSPFLZWCKD-INIZCTEOSA-N 311.429 2.507 0 50 DFAA CC(C)=CCC/C(C)=C/CN1Cc2nc[nH]c2C[C@@H]1C(=O)O 97532235 MFMLZHBCLMCXGL-ROCHPLJESA-N 303.406 2.914 0 50 DFAA Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nc(C)n[nH]3)no2)cc1 252499158 RWIOYXSAKUDTQH-CQSZACIVSA-N 324.388 2.809 0 50 DFAA CCCn1ccnc1CNC(=O)c1c[nH]nc1C1CCCCC1 534582793 HQGCJUPOSIXOMJ-UHFFFAOYSA-N 315.421 2.994 0 50 DFAA CCOC(=O)N1CC[C@H](NCCc2nc3ccccc3s2)C1 534665551 HPVUNSDLAMYXLO-LBPRGKRZSA-N 319.430 2.659 0 50 DFAA COc1cc(C(=O)NC[C@@H]2CCN(C(C)(C)C)C2)ccc1F 299774674 IPPDCHWUJQXEQE-LBPRGKRZSA-N 308.397 2.685 0 50 DFAA COc1ccc(CC(=O)c2cc3c(cc2O)OCCO3)cc1 585152487 OUDLTULMYKBEJS-UHFFFAOYSA-N 300.310 2.597 0 50 DFAA Cc1c(Cn2cnc3cc(C(F)(F)F)ccc3c2=O)cnn1C 584892899 YEIIWWPGVXPRCR-UHFFFAOYSA-N 322.290 2.506 0 50 DFAA COc1nc(N2CCC(c3nc(C(C)C)no3)CC2)ncc1F 670444373 CQJFTNRKCBILGO-UHFFFAOYSA-N 321.356 2.515 0 50 DFAA COC[C@H](C)C1CCN(C(=O)CCN2CCCCCC2)CC1 670461430 SIMKFVUIRVWHEB-INIZCTEOSA-N 310.482 2.774 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H]2C(=O)O)ccc1OC(F)(F)F 630173886 DGLNDKMUQCMWBH-JTQLQIEISA-N 317.263 2.583 0 50 DFAA CCN(C(=O)c1nc(C)oc1C)[C@H](C)[C@H](O)c1ccccc1 408521924 AKWUVDHCYBHLIP-BZNIZROVSA-N 302.374 2.876 0 50 DFAA CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cccc3[nH]ccc23)C1 190149493 DYNDBWXPZHRAJZ-XJKSGUPXSA-N 312.373 2.821 0 50 DFAA Cc1nc(CN2CCCN(C(=O)[C@@]34CCC[C@H]3C4)CC2)oc1C 643334182 MAOISXWSIPVUEK-MAUKXSAKSA-N 317.433 2.516 0 50 DFAA Cc1nsc(C)c1NC(=O)Cn1nc(C(F)(F)F)cc1C 585124793 SCJRZRCDMSIBSA-UHFFFAOYSA-N 318.324 2.922 0 50 DFAA COC[C@@H](OC)c1noc(Cc2coc(-c3cccs3)n2)n1 585120220 AHRMMKUTHRWJQM-SNVBAGLBSA-N 321.358 2.711 0 50 DFAA CN(C)CCCC(C)(C)NC(=O)c1ccnc(F)c1Cl 585121581 STDHACRZFAIUHR-UHFFFAOYSA-N 301.793 2.724 0 50 DFAA CCS[C@@H]1CCCCN(C(=O)c2cncc3nc[nH]c23)C1 585132503 YMUYXGWCGXYPNR-LLVKDONJSA-N 304.419 2.706 0 50 DFAA Cc1noc(C)c1NC(=O)c1cc(F)cc(N2CCOCC2)c1 667367775 WONRLTIBWYAINU-UHFFFAOYSA-N 319.336 2.519 0 50 DFAA O[C@@]1(c2ccccc2)CCCN(Cc2nnc(C3CC3)o2)CC1 1615566554 RJLWGDBZNRUIGA-SFHVURJKSA-N 313.401 2.821 0 50 DFAA Cc1ncc(CNC[C@@H]2CCCc3ccc(C(=O)O)cc32)cn1 1600736644 BDKSIIXXWAPKOE-INIZCTEOSA-N 311.385 2.693 0 50 DFAA O=C1NCCN(Cc2ccccc2OC(F)F)C12CCCC2 1506425729 QZAFCSLLKLOAIK-UHFFFAOYSA-N 310.344 2.533 0 50 DFAA Cc1nncn1CCN1CCC(Cc2ccc(F)cc2)CC1 1506405534 FXCDAEIFNICEFT-UHFFFAOYSA-N 302.397 2.680 0 50 DFAA Cc1cc(Br)cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1 135347012 RGMJWAHLJBMDKZ-GXFFZTMASA-N 312.207 2.600 0 50 DFAA Cc1ccc(C)c(CC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1 1704344438 NOPNOJAPCMPLEV-IEBWSBKVSA-N 301.430 3.000 0 50 DFAA CCCOc1ccccc1CCCNc1nnc(CN(C)C)o1 1772708382 COZSKIAGFGNULB-UHFFFAOYSA-N 318.421 2.965 0 50 DFAA OC1([C@H]2CCCN2C2CCN(CCc3ccccc3)CC2)CC1 1772818170 OFGZVFAQOGKNCT-LJQANCHMSA-N 314.473 2.683 0 50 DFAA Cn1ccc(C2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1=O 1772711430 YHKWACZQSQTPAF-UHFFFAOYSA-N 324.424 2.700 0 50 DFAA CC(C)CNc1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 11952177 RRYVFVIBZFVQOR-MRXNPFEDSA-N 318.465 2.754 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c1 16346257 BTHCNXKYJXKOKF-UHFFFAOYSA-N 324.490 2.891 0 50 DFAA C[C@@H]1CN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 16662249 RPWQXDQJMQKTLU-BFYDXBDKSA-N 321.461 2.833 0 50 DFAA c1cn(CC2CCN(CCc3ccc4c(c3)OCO4)CC2)cn1 19865246 DZGSCWKSQQGYPT-UHFFFAOYSA-N 313.401 2.567 0 50 DFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 3893085 OQNYXZNFHLDXIO-JTQLQIEISA-N 323.336 2.658 0 50 DFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H]1C[C@H]2C=C[C@@H]1CC2 1857528759 YLZPWKUWDQGTTM-GUTXKFCHSA-N 315.369 2.999 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cccnc1SC 1857676114 OOPWVJUFMSYUHR-GHJWDPDVSA-N 306.431 2.569 0 50 DFAA CCc1nc([C@@H]2CCn3nccc3C2)n(-c2ccc(OC)cc2)n1 1857679435 LRSPTJNEPDQTTO-CYBMUJFWSA-N 323.400 2.765 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2(C)C)c(Cl)cc1F 338511362 LXGNJQRHFSRYPK-GFCCVEGCSA-N 312.772 2.575 0 50 DFAA O=C(c1ccc2nc[nH]c2n1)N1CCCO[C@@H](c2ccccc2)C1 680435917 ZRBCWSDKLSFRLU-MRXNPFEDSA-N 322.368 2.562 0 50 DFAA NC(=O)c1ccc(CN(C(=O)[C@H]2CCC(F)(F)C2)C2CC2)cc1 684562909 DMMZHXDMFGTRJF-ZDUSSCGKSA-N 322.355 2.712 0 50 DFAA CC1(C)C[C@@H](O)c2cccc(NS(=O)(=O)c3ccco3)c2O1 901961337 DIKXYSPWODEBOV-GFCCVEGCSA-N 323.370 2.675 0 50 DFAA COc1cc(F)c([C@H](NC(=O)OC(C)(C)C)C(=O)O)c(F)c1 1857778153 HJULLLAFAPMEFU-NSHDSACASA-N 317.288 2.624 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccn(C2CC2)c1=O 865918437 ICBXWJHZDFYIFC-WWGRRREGSA-N 300.402 2.976 0 50 DFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccn(C2CC2)c1=O 865918438 ICBXWJHZDFYIFC-XJKCOSOUSA-N 300.402 2.976 0 50 DFAA CCO[C@H]1C[C@@H](n2nnnc2N2CCC[C@@H]2c2ccsc2)C1 952880768 XHIXUNPUGXAWHP-HZSPNIEDSA-N 319.434 2.816 0 50 DFAA COC(=O)C(C)(C)[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccccc1 952882851 KVPTXSDREXVIHS-NUEKZKHPSA-N 305.418 2.942 0 50 DFAA CC[C@@H]1CCCC[C@H]1OCc1nc(C2CN(C(C)=O)C2)no1 1875280301 QVUYSTDRFIYJJM-TZMCWYRMSA-N 307.394 2.501 0 50 DFAA O=C(NC1(c2ccccc2C(F)(F)F)CC1)c1cncnc1 1875266602 FMMJKASVOGNFMZ-UHFFFAOYSA-N 307.275 2.915 0 50 DFAA C=CC(=O)N(Cc1cc2c(c(C3CC3)c1)OCO2)[C@@H]1CCOC1 1875381994 NDOPBHGWOUKOTB-CQSZACIVSA-N 315.369 2.596 0 50 DFAA CCN1C(=O)C[C@@H](CN[C@H](C)c2ccccn2)[C@@H]1c1cccnc1 886035953 VDKSYFJXSVFCEB-ALKREAHSSA-N 324.428 2.737 0 50 DFAA O=C(Cc1cc(C2CC2)no1)N1C[C@@H]2C[C@@]2(C(F)(F)F)C1 1776007339 XUHZDJKCRPAPFW-TVQRCGJNSA-N 300.280 2.505 0 50 DFAA CCOC(=O)COc1cc(NC(=O)OC(C)(C)C)ccc1C=O 1857800766 MLEHJOBYLUTBKG-UHFFFAOYSA-N 323.345 2.788 0 50 DFAA CCOP(=O)(OCC)[C@H](O)c1cc(OC)ccc1OC 1794970 ICRXOSKWUIILRC-ZDUSSCGKSA-N 304.279 2.961 0 50 DFAA Nc1ccnc(CNC(=O)c2ccc(-c3ccncc3)c(F)c2)c1 2325856964 KGJXVXWRQNNHOW-UHFFFAOYSA-N 322.343 2.795 0 50 DFAA Cc1ccc(C(=O)N(C)Cc2cnn(C)c2C)c2ncccc12 935728110 ONESYOHQJJRNBS-UHFFFAOYSA-N 308.385 2.857 0 50 DFAA CC[C@@H](NC(=O)N1CCO[C@@H](c2ccco2)C1)c1ccncc1 129162769 CWNJTWABAMFBFD-GDBMZVCRSA-N 315.373 2.909 0 50 DFAA COc1cc(-c2nc(-c3ccccn3)no2)cc(OC)c1OC 91488 YVGORNGRHZSXOF-UHFFFAOYSA-N 313.313 2.824 0 50 DFAA biogenic CCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(C(F)(F)F)C1 352144 NPPSTJCPBQKFRH-ZDUSSCGKSA-N 316.279 2.558 0 50 DFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCCc1cccc(Cl)c1 460538 SPBDDZCGBICXSV-KBPBESRZSA-N 307.777 2.666 0 50 DFAA CN1CCCC12CCN([C@@H]1CCc3ccccc3NC1=O)CC2 411440076 GWVBCCOZOMOBAO-QGZVFWFLSA-N 313.445 2.500 0 50 DFAA COc1ncc(CN(C)CCCOc2ccc(F)cc2)cn1 55225401 YPLUFLNSMVGRAO-UHFFFAOYSA-N 305.353 2.525 0 50 DFAA Cc1ccc(NC2(C(=O)N[C@H](C)c3ncn[nH]3)CCCC2)cc1 55061212 WTLOXTUNLSTLGA-CYBMUJFWSA-N 313.405 2.715 0 50 DFAA Cc1nnc(NC(=O)N2CCc3c([nH]c4ccccc34)C2)s1 55385717 APTBCYRHDMYCAU-UHFFFAOYSA-N 313.386 2.918 0 50 DFAA Cc1nc2c(c(N(C)C/C=C/c3ccccc3)n1)CCNCC2 65393883 MJOVOGWMBBTPGG-RMKNXTFCSA-N 308.429 2.623 0 50 DFAA Cc1cc(C(=O)N(C)CCn2ccc3ccccc32)nc(C)n1 65533564 MOBPILCNFAACRA-UHFFFAOYSA-N 308.385 2.820 0 50 DFAA CCN(CCn1cccn1)Cc1cc2cc(C)ccc2[nH]c1=O 67473348 RNIXBZQDFXWXNU-UHFFFAOYSA-N 310.401 2.555 0 50 DFAA CC(C)c1nc(-c2ncn[nH]2)n(-c2cccc3cccnc23)n1 67674040 USTLATJAZABAKR-UHFFFAOYSA-N 305.345 2.724 0 50 DFAA CC(C)(C)c1csc(NC(=O)CNCc2ccncc2)n1 65407869 AMPRHQGOPJENJM-UHFFFAOYSA-N 304.419 2.564 0 50 DFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cn2ccccc2n1 249710671 DKEINZADBPCOBJ-IMJJTQAJSA-N 313.401 2.640 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 67447156 NOJFBXBWNOOLAO-GDBMZVCRSA-N 305.422 2.810 0 50 DFAA Clc1ccccc1-c1ncnn1CN1CCO[C@@H]2CCC[C@H]21 230259634 NOPPVDSVFNPCPH-HUUCEWRRSA-N 318.808 2.809 0 50 DFAA Cc1cc(OC(=O)c2cccc(C(F)(F)F)c2)c2nncn2n1 6188745 XFWFNMVTRBLEBX-UHFFFAOYSA-N 322.246 2.671 0 50 DFAA Cc1coc(-c2cc(NC(=O)N3CC[C@@](C)(O)C3)ccc2C)n1 252527733 DFGIYBYBDDCNIJ-QGZVFWFLSA-N 315.373 2.947 0 50 DFAA c1ccc(-n2ccnc2-c2ccncc2)c(CN2CCOCC2)c1 71613848 KDBXIJFACSJFAW-UHFFFAOYSA-N 320.396 2.767 0 50 DFAA CC(C)c1cnc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)s1 365656377 XJKYBAUFLNCPRT-ZIAGYGMSSA-N 309.479 2.562 0 50 DFAA COc1ccc(Cl)cc1-c1nccc(N2CCC[C@@H](O)C2)n1 216273436 MWWIPVHWBWSNSK-GFCCVEGCSA-N 319.792 2.767 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)O)cc2)C1(C)C 236883944 MIIDGSVYRCBXCH-UONOGXRCSA-N 305.374 2.660 0 50 DFAA NC(=O)c1csc(C(=O)NCC[C@@H]2CCc3ccccc32)c1 452322073 YEEBAKQCOIIANY-LBPRGKRZSA-N 314.410 2.697 0 50 DFAA COc1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)ccc1C 237235399 XUQWZLNHSLTTAU-ZDUSSCGKSA-N 305.374 2.721 0 50 DFAA CN(CC1CCC1)C(=O)NCc1ccc(Cn2cccn2)cc1 171829700 GBRILYFAOWUXEV-UHFFFAOYSA-N 312.417 2.873 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)cn1 237991319 OXXIPTYYBGPJTJ-KRWDZBQOSA-N 300.358 2.742 0 50 DFAA CC(C)n1nccc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282403678 DQNHCUWXZICGFB-GDBMZVCRSA-N 317.364 2.551 0 50 DFAA COc1ccc([C@@H](C)NC(=O)[C@H]2CCN(C)[C@@H](C)C2)cc1OC 241776751 RSDGZGBRCJZGRI-GUTXKFCHSA-N 320.433 2.611 0 50 DFAA COc1cc(NC(=O)c2ccccc2N)cc(OC)c1OC 19675300 AFBDOTKADSTOEI-UHFFFAOYSA-N 302.330 2.547 0 50 DFAA O=C(O)Cc1ccccc1NC(=O)Cc1cc(F)ccc1F 225460059 KYHLONVNPMQLQR-UHFFFAOYSA-N 305.280 2.773 0 50 DFAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(F)cc1Cl 263286338 YAMBXSHQYSOPRN-ONGXEEELSA-N 313.756 2.733 0 50 DFAA C[C@@H]1CCN(C(=O)[C@@H]2CSC(=O)N2)[C@@H]1c1cccc(F)c1 174422104 NAECCYKADFDYNN-ICCXJUOJSA-N 308.378 2.560 0 50 DFAA Cc1ccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)cc1 174681545 SWHURLHRXKIRNG-UHFFFAOYSA-N 316.426 2.595 0 50 DFAA CC(C)c1cc(C(=O)N(C)Cc2ccc3nccnc3c2)n(C)n1 82099465 RDWDRXANBANLFM-UHFFFAOYSA-N 323.400 2.759 0 50 DFAA COc1cc2c(cc1CNC(=O)CC1=CCCC1)OCCO2 426668995 KFEOSXKFPKMJAJ-UHFFFAOYSA-N 303.358 2.583 0 50 DFAA CCCc1c(NC(=O)[C@@H](C)C(=O)O)cnn1-c1ccc(F)cc1 263543836 FNGOVTFOBFHUCH-SNVBAGLBSA-N 319.336 2.623 0 50 DFAA O[C@H](CN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 20218780 KCXDZWBLLFAVEN-GOSISDBHSA-N 318.367 2.820 0 50 DFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(OC2CCC2)c(F)c1 289755138 MNWWFCCBBGBROQ-LLVKDONJSA-N 320.364 2.754 0 50 DFAA CCNc1ncc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cn1 426395466 XVNZUDHNCMNXOH-INIZCTEOSA-N 324.428 3.174 0 50 DFAA Cc1nn(CCNc2nc3c(s2)c(C)nn3C)c(C)c1C 96140722 VGOJKFPQCARLCH-UHFFFAOYSA-N 304.423 2.572 0 50 DFAA O=C(O)[C@]1(CC2CC2)CCCN(Cc2cccc3nonc23)C1 91616618 BJGJKYFTPSPEJR-KRWDZBQOSA-N 315.373 2.690 0 50 DFAA Cc1cccc(CC2(NC(=O)CCN3CCCCC3=O)CC2)c1 97696413 QUWJLMVQNYUVCF-UHFFFAOYSA-N 314.429 2.589 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2sc(C3CCCC3)nc2C)C1 179019383 KBALWXAZCWNURT-LBPRGKRZSA-N 307.463 2.791 0 50 DFAA CC[C@@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccnn1C 91951185 RSOHMEGHPRDIGR-LLVKDONJSA-N 313.361 2.593 0 50 DFAA Cc1nc(C)c(CC(=O)NCCc2nc3ccccc3[nH]2)s1 97713653 CNTVFAOSARVEKR-UHFFFAOYSA-N 314.414 2.538 0 50 DFAA CCN1CCC(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2)CC1 95496886 OWBABUHVDODETH-MRXNPFEDSA-N 324.852 2.612 0 50 DFAA CCc1csc(CCNC(=O)CN2CCCCCCC2)n1 244641215 GLMJFEQEWGFHIG-UHFFFAOYSA-N 309.479 2.630 0 50 DFAA Nc1cnccc1-c1ccc(C(=O)NCCN2CCCCC2)cc1 534673836 MEIZKZODVHJWCZ-UHFFFAOYSA-N 324.428 2.547 0 50 DFAA Cc1ncsc1CCC(=O)N(C)C[C@@H]1Cc2ccccc2O1 299799469 SMFSAFRFNJHIHO-AWEZNQCLSA-N 316.426 2.846 0 50 DFAA Cc1cc(C(=O)NCc2nncn2C2CCCCC2)cc(C)n1 828139822 MOTMBSRVXDDCEE-UHFFFAOYSA-N 313.405 2.725 0 50 DFAA Cc1nccc(-c2ccccc2)c1C(=O)N[C@H](C)c1nncn1C 670441749 RAGVUQKKIPQDGU-CYBMUJFWSA-N 321.384 2.677 0 50 DFAA O=C(c1cnc2c(c1)CCCC2)N1CCC[C@H](c2cc[nH]n2)C1 670434599 UISRLWNDZJJSBX-AWEZNQCLSA-N 310.401 2.703 0 50 DFAA CCc1nc2cc(NC(=O)c3ccc(=O)n(C)c3)ccc2n1CC 952969515 JSTXRVFDFLLPAG-UHFFFAOYSA-N 324.384 2.570 0 50 DFAA O=C(NC1CC1)c1noc([C@@H]2CCCN2CC2=CCCCC2)n1 408519689 RBPDHZJVUHUYQG-AWEZNQCLSA-N 316.405 2.599 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CNC[C@H]2CCCO2)C1 269224951 PXKOXRLNUFFRFM-CKEIUWERSA-N 320.408 2.504 0 50 DFAA C[C@H]1COC[C@H](C)N1C(=O)c1csc(-c2ncccc2F)n1 271157648 NMLYOLURYJKZMH-UWVGGRQHSA-N 321.377 2.594 0 50 DFAA CN1CC[C@@H](CSc2nnc3sc4ccccc4n23)C1=O 585119079 PLHMVZQVEHZAOE-VIFPVBQESA-N 318.427 2.514 0 50 DFAA CCN1CC[C@H]2CC[C@@H](C1)N2CCC1CCC2(CC1)OCCO2 170607092 XPTBPNNQGOHUKS-MSOLQXFVSA-N 322.493 2.868 0 50 DFAA C[C@@H](Sc1nc2cc(F)cc(Cl)c2o1)c1nnnn1C 189140534 XIDXVQHLULYIHL-RXMQYKEDSA-N 313.745 2.997 0 50 DFAA CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(C(=O)O)co1 191672044 ZSIYXENKXBSJCU-CHWSQXEVSA-N 309.362 2.644 0 50 DFAA CC(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1C 193843411 OTBURQAXFWVRLV-IAGOWNOFSA-N 301.386 2.981 0 50 DFAA Cc1cc(C(=O)N2CCCN(c3ccccc3Cl)CC2)n[nH]1 673500836 MWJHSOVRXUWAJE-UHFFFAOYSA-N 318.808 2.724 0 50 DFAA c1ccc(-n2cccn2)c(CNC2CSCCSC2)c1 1506400892 LLCLFBVKSPUART-UHFFFAOYSA-N 305.472 2.811 0 50 DFAA Nc1cccc2cc(S(=O)(=O)N3CCC[C@@H]4C[C@H]43)ccc12 1615587127 JDGKYHZZTMKOEJ-MLGOLLRUSA-N 302.399 2.595 0 50 DFAA Cc1nnc(SCC(=O)NC2(c3cccc(Cl)c3)CC2)o1 1506412232 ATAMCSKDAPNLMU-UHFFFAOYSA-N 323.805 2.929 0 50 DFAA CCc1c(C)noc1NC(=O)[C@@H]1CCCN(c2ccccn2)C1 1529095762 XDGPHMMSYFNQHS-CYBMUJFWSA-N 314.389 2.796 0 50 DFAA CO[C@H](C)c1nnc(NC(=O)Cc2cc(F)ccc2F)s1 1529142076 DGYXVSCFXKCFIY-SSDOTTSWSA-N 313.329 2.705 0 50 DFAA C/C=C/CCCC(=O)N1CCC(c2ccn(C)c(=O)c2)CC1 1772808221 JKQQVONDKCCXGH-ONEGZZNKSA-N 302.418 2.838 0 50 DFAA COCCSc1ccccc1C(=O)NCc1ccccn1 12417955 FHCKOVFEBDAOBQ-UHFFFAOYSA-N 302.399 2.750 0 50 DFAA COc1cccc(N2CCN(C3Cc4ccccc4C3)CC2)c1 6667487 QUCRXQZFJDYUPB-UHFFFAOYSA-N 308.425 2.985 0 50 DFAA CC(=O)N1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 6742360 SFEUCHYJNOTDQU-UHFFFAOYSA-N 314.307 2.902 0 50 DFAA Cc1nccc(-c2nccn2Cc2ccc(CN(C)C)cc2)n1 1857698020 DUWAFRBVMWCVBS-UHFFFAOYSA-N 307.401 2.758 0 50 DFAA O=C1C[C@@H](c2noc(C3(c4ccccc4)CC3)n2)CN1C1CC1 225596743 DRVJLHJMKAGOSR-GFCCVEGCSA-N 309.369 2.628 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)O)s2)C1(C)C 236868830 NZCJGEGRABRABO-VXGBXAGGSA-N 311.403 2.722 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](N)C1 237243231 JMTGVUYXOWVDHE-FMKPAKJESA-N 302.418 2.876 0 50 DFAA CN(C)[C@H](C(=O)NCCc1ccccn1)c1ccc(Cl)cc1 653544077 LNGXHAJVUNHGOI-INIZCTEOSA-N 317.820 2.697 0 50 DFAA C[C@@]1(O)CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 373838393 YLLRVAOSABLNMC-DOTOQJQBSA-N 324.465 2.815 0 50 DFAA Cc1nnc(N(C)C(=O)[C@]2(c3ccccc3)C[C@@H](F)C2)s1 908293793 JOTUVZZOKVKHKS-NNUKFRKNSA-N 305.378 2.879 0 50 DFAA c1cncc(-c2nc3c(c(N[C@@H]4CCn5ccnc54)n2)CCC3)c1 828359280 ZFRIBXHQQBBVHD-OAHLLOKOSA-N 318.384 2.781 0 50 DFAA OCc1ccnc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 929061085 RNKHQOJNTCOEAA-ZDUSSCGKSA-N 303.333 2.795 0 50 DFAA COCc1cc(CN2CCC[C@@]2(C)C(=O)OC(C)(C)C)no1 864086959 MIORIWYZMAQGQG-INIZCTEOSA-N 310.394 2.517 0 50 DFAA Cc1cccc([C@H](CC(=O)O)NC(=O)c2cnn(C(F)F)c2)c1 864232575 QVLITEVNWZMPPK-LBPRGKRZSA-N 323.299 2.532 0 50 DFAA NC1(CCCNC(=O)c2cc3ccc(Cl)cc3c(O)n2)CC1 1875347069 QDHXHVKEGRKWHI-UHFFFAOYSA-N 319.792 2.595 0 50 DFAA CCOC(=O)c1cnn(-c2ccc(Br)cn2)c1C 38537380 JIUZGPCDKSXHBZ-UHFFFAOYSA-N 310.151 2.515 0 50 DFAA in-vitro CCOCCC(=O)Nc1n[nH]c(C)c1-c1ccc(OC)cc1 2100556153 FRJYWYTYKAXXRC-UHFFFAOYSA-N 303.362 2.759 0 50 DFAA FC(F)(F)Cn1ccc(CNCc2cccc3[nH]ncc23)n1 2325774251 WQHVAVHDRXPMIP-UHFFFAOYSA-N 309.295 2.612 0 50 DFAA O=C(N[C@H]1CCCC12CCCC2)N1CCCN2CCC[C@H]2C1 2325785161 GGURHPMZQKGKON-HOTGVXAUSA-N 305.466 2.979 0 50 DFAA O=C([C@@H]1CCCC(F)(F)C1)N1CC[C@H](c2cn(C3CC3)nn2)C1 2325827082 UUMOWWYYKXVDSW-NEPJUHHUSA-N 324.375 2.754 0 50 DFAA Cc1c(NC(=O)c2ccc3c(c2)C[C@H](N)C3)c[nH]c2nccc1-2 2325856832 DVSNDBANCIYTOC-CQSZACIVSA-N 306.369 2.501 0 50 DFAA C[C@@H]1C[C@H](c2cccc(F)c2)N(c2nnnn2[C@@H]2C[C@H]2C)C1 2325860410 HPMWGAFKQTUAFA-YIKOMLBNSA-N 301.369 2.981 0 50 DFAA CC(=O)N1C[C@@H]2CCC[C@H](NCc3nccc4ccccc34)[C@H]2C1 894786209 BZYCZWZNPPSLRW-WDSOQIARSA-N 323.440 2.971 0 50 DFAA O=S(=O)(Nc1ccc(Br)cn1)c1cccs1 270055 LVQBONWIYLDRGX-UHFFFAOYSA-N 319.205 2.706 0 50 DFAA CC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1OC 7307882 QXPOWPTXTLRBBL-MRVPVSSYSA-N 322.224 2.535 0 50 DFAA C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)C[C@@H](O)C1CC1 221860654 BVLPQLAYFFWTSC-LQAWEQHXSA-N 320.408 2.861 0 50 DFAA C[C@@H]1CCCN(S(=O)(=O)N(C)[C@H]2CCCc3ccccc32)C1 248068313 RRNGESVWNRRFTM-PBHICJAKSA-N 322.474 2.973 0 50 DFAA COc1ccccc1C(=O)Nc1cc(C(N)=O)ccc1Cl 57291747 GDRFRBHERHYEFC-UHFFFAOYSA-N 304.733 2.700 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cc(C)on2)c2c1CCCC2 55175511 QCGUAUQRXXTSNL-UHFFFAOYSA-N 322.386 2.671 0 50 DFAA O=C(Nc1cccc(F)c1)[C@@H](c1ccccc1)N1CCOCC1 20310896 AJVUUTSNMINHJQ-QGZVFWFLSA-N 314.360 2.838 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1sc(C)nc1C 249685428 FTCKHEPIPSOXQO-UONOGXRCSA-N 307.463 2.849 0 50 DFAA COCCCCC(=O)N1C[C@@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 422001169 OXDDAARYSLAGRD-UONOGXRCSA-N 313.438 2.629 0 50 DFAA COc1ccc(-c2cnnc(N(C)Cc3cccnc3)n2)cc1 12308635 OKNLHCYCSGXGSA-UHFFFAOYSA-N 307.357 2.579 0 50 DFAA CN1CC[C@H](CNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1 67603580 VMHMIXGHUPPOHX-CYBMUJFWSA-N 311.429 2.728 0 50 DFAA CCC(=O)Nc1cccc(OCC(=O)N2CC=C[C@@H]2C(C)C)c1 65470006 JLZCWUCCPSXXFZ-MRXNPFEDSA-N 316.401 2.837 0 50 DFAA C[C@H](NC(=O)Cc1cccnc1)c1ccccc1-n1cccn1 219469692 LPAPRZBXHMGXDV-AWEZNQCLSA-N 306.369 2.687 0 50 DFAA Cc1sc(CC(=O)N[C@@H](CO)c2ccccc2)nc1C(C)C 279599901 YADPCGPJXGISSC-AWEZNQCLSA-N 318.442 2.967 0 50 DFAA Cn1c(C(=O)NCCNc2cccnc2)ccc1-c1ccccc1 215474379 ZWKAPFGFFGAQMS-UHFFFAOYSA-N 320.396 2.929 0 50 DFAA C[C@@H](CCc1ccco1)NC[C@@H]1CCO[C@H]1c1ccnn1C 328622296 BBRQFJFOZXKDSV-GRDNDAEWSA-N 303.406 2.702 0 50 DFAA CN(C)c1nccc(N2CCN(c3ccc(Cl)cc3)CC2)n1 354301345 HDOJAVBGPUTPBJ-UHFFFAOYSA-N 317.824 2.523 0 50 DFAA Cn1cncc1C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2F)CC1 1364325675 QWKMQSHYNYVHRY-UONOGXRCSA-N 308.401 2.590 0 50 DFAA COc1cc2c(cc1-c1nccn1C[C@@H]1CCCOC1)OCO2 71552054 FWVHSJMIZWVJHJ-LBPRGKRZSA-N 316.357 2.714 0 50 DFAA Cc1ccc(OCC(=O)N2CC(=O)Nc3ccccc3C2)c(C)c1 324867449 AHLJZFVBHWVFFE-UHFFFAOYSA-N 324.380 2.663 0 50 DFAA O=C(c1cc(F)cc2nc(S)[nH]c12)N1C[C@H]2CCC[C@@H]2C1 154252485 UCNWYVFYSZZPSL-RKDXNWHRSA-N 305.378 2.863 0 50 DFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cn2ccnc2s1 329973712 YTRONPKEGWJSFV-UHFFFAOYSA-N 317.418 2.689 0 50 DFAA Cc1nc([C@H]2CCCN(C(=O)N=c3cc[nH]cc3)C2)sc1C 365642968 XUJNDEQNYKEYNZ-ZDUSSCGKSA-N 316.430 2.988 0 50 DFAA CCCc1nc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)no1 72166735 ZRQRUEPAPKXTLP-LSDHHAIUSA-N 306.454 2.718 0 50 DFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1cnc(-c2ccccc2)s1 129664316 KGLWWACIZCFWFK-PBWFPOADSA-N 313.426 2.823 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC[C@H]2CCNC2)[C@H](C)CO1 261829156 JAYUVCMGTUZFFQ-RYRKJORJSA-N 316.445 2.673 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)ccn1 171805328 DTVYBWRIRUNIQT-SJLPKXTDSA-N 323.396 2.938 0 50 DFAA COc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H](C)N)c(Cl)c1 237173689 QSLUKVAWTYPAGK-IAQYHMDHSA-N 310.825 2.619 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H](N)C3)C2)cc1 237292524 PYWLOWKBYDQLSP-BZUAXINKSA-N 302.418 2.529 0 50 DFAA O=c1cc(C(F)(F)F)ccn1Cc1nnc(C2CC2)n1C1CC1 282042907 XJFPQZRVMYHXSN-UHFFFAOYSA-N 324.306 2.719 0 50 DFAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@]1(C)C(=O)O 263408225 GLTMELXIRMGGDE-YVEFUNNKSA-N 307.365 2.860 0 50 DFAA C[C@H](c1ccc(-c2cnn(CC(N)=O)c2)cc1)N1CCCCC1 426550050 OBVNVNBZFGKPAV-CQSZACIVSA-N 312.417 2.582 0 50 DFAA CN(CCCOc1ccccc1F)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426370909 FJTKRHNSSGTNDC-QWHCGFSZSA-N 323.364 2.554 0 50 DFAA Cc1cc(C)c(C(=O)N2CCC[C@@H](CCC(=N)O)C2)c(O)n1 330955651 MUXHYNIOZYMENR-LBPRGKRZSA-N 305.378 2.572 0 50 DFAA Cn1c(CCN)nnc1SCc1ccc(C(F)(F)F)cc1 426415307 IJQPCXNBXKOGPA-UHFFFAOYSA-N 316.352 2.627 0 50 DFAA CCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H](CNC)C1 178968628 PMETXDIQPZQPMD-LBPRGKRZSA-N 310.825 2.810 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 237622454 CZPQHUZTBNZELW-DZGCQCFKSA-N 311.385 2.826 0 50 DFAA Cc1ccc(C)c(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239309165 HFWAHWIOXYPHKM-PXQICXGYSA-N 322.408 2.726 0 50 DFAA COCc1ccc(C(=O)NCCSc2ccccn2)s1 97716855 YEMFTGABEIVBSI-UHFFFAOYSA-N 308.428 2.812 0 50 DFAA C[C@]1(c2ccccc2)CCC(=O)N(CCCN2CCCC2=O)C1 91391209 OOYRFFNQVWCIQF-IBGZPJMESA-N 314.429 2.579 0 50 DFAA Cc1n[nH]c([C@@H]2CCCN2CC(=O)Nc2ccc(C)c(C)c2)n1 244574855 CSHTVGFFPZGSNN-HNNXBMFYSA-N 313.405 2.506 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2cc3ccccc3o2)C1 299743130 LYUBQEUUDHUYFO-CYBMUJFWSA-N 301.342 2.689 0 50 DFAA Cc1ccc([C@H]2Cn3nc(C(=O)NCC4CC4)cc3CO2)cc1 263615731 DXDIOBFIGPKRIZ-QGZVFWFLSA-N 311.385 2.603 0 50 DFAA CCCn1ncnc1[C@H](C)NC(=O)N(C)Cc1ccccc1 534651135 NFKLYVOCLLKKLF-ZDUSSCGKSA-N 301.394 2.591 0 50 DFAA CCn1nc(C)c(CNC(=O)[C@H](C)n2ccnc2C(C)C)c1C 299796441 OHUGMVQXFQYZPT-AWEZNQCLSA-N 317.437 2.717 0 50 DFAA CC(C)OCC1CCN(C(=O)c2ccnc(C(C)C)n2)CC1 299800409 WLVGEFAXFASWKE-UHFFFAOYSA-N 305.422 2.877 0 50 DFAA CC(=O)Nc1ccc(CNCc2cncn2CC(C)C)cc1 952860295 LGGDVCZURVVHEF-UHFFFAOYSA-N 300.406 2.787 0 50 DFAA O=C(NC[C@H]1CCCOC1)c1cccc(CN2CCCCC2)c1 408520900 AIWULFZZUPHRJY-QGZVFWFLSA-N 316.445 2.829 0 50 DFAA CC(C)(C)n1nccc1NC(=O)NCCOc1ccccc1 186456289 IHZNGCIHBNOMSV-UHFFFAOYSA-N 302.378 2.839 0 50 DFAA Cc1ccnc(N2CCC(O)(c3ccccc3Cl)CC2)n1 277419443 LLQJCSVWPJWLPB-UHFFFAOYSA-N 303.793 2.926 0 50 DFAA CCc1c(NC(=O)c2ccnnc2C)cnn1CCC(C)C 277549799 IQGOOVVYVHPTNF-UHFFFAOYSA-N 301.394 2.842 0 50 DFAA CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CO)C1)Cc1ccccc1 191117202 GEDDXIXWNQNRIC-QZTJIDSGSA-N 318.461 2.915 0 50 DFAA N[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 191328909 BRFJUQMLZAAPAF-RDBSUJKOSA-N 312.335 2.759 0 50 DFAA C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@H]1CO 191852654 JRUCYNHCOHDTEQ-HIFRSBDPSA-N 312.369 2.574 0 50 DFAA CCOC(=O)c1cnc(/C(C)=C/c2ccc3c(c2)CCC3)[nH]c1=O 193264929 UVBWPFWKJZNBDQ-FMIVXFBMSA-N 324.380 2.996 0 50 DFAA C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1cc2cc[nH]c2cn1 654146462 PGVRSOWXSICZKV-DOMZBBRYSA-N 313.405 2.653 0 50 DFAA Cn1ccc2c(NC(=O)Cc3n[nH]c4c3CCCC4)cccc21 777181456 BGJQDHXVVLQIAO-UHFFFAOYSA-N 308.385 2.961 0 50 DFAA OC[C@H]1COc2ccccc2[C@H]1NCc1cc(O)ccc1Cl 1615043976 YXUDBRAVPBYRJA-SJCJKPOMSA-N 319.788 2.877 0 50 DFAA Fc1cccc2c1CN(Cc1nnc(C(F)(F)F)o1)CCO2 1615613898 BIAHSIITPOVXSR-UHFFFAOYSA-N 317.242 2.622 0 50 DFAA Cc1nccn1-c1ccnc(C(=O)NC[C@@H]2CCCC2(F)F)c1 1615627297 NXDIETSCXSIUFL-LBPRGKRZSA-N 320.343 2.741 0 50 DFAA CCc1c(C)noc1NC(=O)c1csc(-c2ncccn2)n1 1506412126 MPAIXYPNQPBTCI-UHFFFAOYSA-N 315.358 2.711 0 50 DFAA Cc1cc(F)ccc1N1CCC(N[C@H](C)c2ncnn2C)CC1 1506418844 VUJXRRKBQLUINB-CYBMUJFWSA-N 317.412 2.582 0 50 DFAA Cc1cccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1C 1529121053 ZNGXUIHYGIFOQZ-AEFFLSMTSA-N 310.397 2.686 0 50 DFAA c1cnc2c(-c3nccn3-c3ccc4c(c3)COC4)cnn2c1 1772811404 UPVNYBBXAKPBBV-UHFFFAOYSA-N 303.325 2.612 0 50 DFAA COc1ccc(CCCc2nc(C)nn2[C@H]2CCOC2)cc1 1772815290 OVMKNFOOYYGVLD-HNNXBMFYSA-N 301.390 2.732 0 50 DFAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1Cl 5417466 YNIOZPAZWJNPST-UHFFFAOYSA-N 324.789 2.548 0 50 DFAA O=C(C[C@H](NC1CCCCC1)C(=O)O)Nc1ccc(F)cc1 5042016 IMSICKVINSDLLV-AWEZNQCLSA-N 308.353 2.530 0 50 DFAA O=C(Cc1noc(COc2ccccc2)n1)Nc1ccccc1 16578479 JRZKOLJMVZIKJO-UHFFFAOYSA-N 309.325 2.830 0 50 DFAA CC(C)(C)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 4954752 BBWLSPFWAMRANH-ZRDIBKRKSA-N 302.330 2.558 0 50 DFAA CS(=O)(=O)Cc1ccc(-n2ccnc2-c2cnsc2)cc1 1857684912 JXBAWWZLNOAXFE-UHFFFAOYSA-N 319.411 2.540 0 50 DFAA Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ncccc1O 120668991 KETSMCJKCFOWMY-UHFFFAOYSA-N 317.370 2.758 0 50 DFAA N[C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1 132512061 OIKJRMHWVVSJOZ-LBPRGKRZSA-N 315.804 2.939 0 50 DFAA CC[C@H](C(=O)Nc1cccc(C)c1C)n1c(N)nnc1SC 16624508 VXOZXZXHNQXHFR-GFCCVEGCSA-N 319.434 2.789 0 50 DFAA CCS[C@@H]1CC[C@]1(O)CNC(=O)NC1[C@H](C)CCC[C@H]1C 253370321 PJOIJRNFNSMPEU-JXFSHQFZSA-N 314.495 2.757 0 50 DFAA CCCCN1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)N(C)C 253404894 FVGNCZBRCWPFBA-HZPDHXFCSA-N 321.465 2.653 0 50 DFAA C[C@H](O)C1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 265395336 UDWZLBASVWLJCL-QMMMGPOBSA-N 302.296 2.729 0 50 DFAA CCC[C@]1(C(=O)O)CCN(Cc2c(C)cccc2C)C[C@H]1O 1704336914 MHFNXUBOLKBHPG-AEFFLSMTSA-N 305.418 2.741 0 50 DFAA c1ccc(-c2ncc(CN3CCC[C@H](n4cncn4)C3)o2)cc1 929576196 BUYGYCQDGQKENU-HNNXBMFYSA-N 309.373 2.770 0 50 DFAA CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCCc3n[nH]cc32)CCO1 864095689 WKTAJQXEPSLABI-XJKSGUPXSA-N 320.437 2.856 0 50 DFAA CC1CCC(O)(c2nc(Cc3ccc4c[nH]nc4c3)no2)CC1 952845740 PWSQBJIEINXCAN-UHFFFAOYSA-N 312.373 2.934 0 50 DFAA CN(c1ncnn2cccc12)C1CCN(Cc2ccccc2)CC1 1875295231 UOTBOKRPKZJDIR-UHFFFAOYSA-N 321.428 2.830 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NN1C[C@H]2CCC[C@@H](C2)C1 882279582 OPNHPUZVVOSKOO-CQDKDKBSSA-N 304.438 2.673 0 50 DFAA Cc1ccncc1[C@H]1CCN(C(=O)c2nn(C)c(C)c2Cl)C1 885748249 CUIFBDLXAQDFQR-LBPRGKRZSA-N 318.808 2.715 0 50 DFAA Cc1noc(C[C@]2(O)CCCN(CCC3=CCCCC3)C2)n1 886079614 MLGLQLZQLLBMCT-QGZVFWFLSA-N 305.422 2.638 0 50 DFAA CCOc1cc(C(=O)N(CC)[C@@H]2CCCc3cccnc32)[nH]n1 1775988107 JFXZVQZHVORBQX-CQSZACIVSA-N 314.389 2.743 0 50 DFAA C[C@@H]1CN(C)C[C@H]1NC(=O)c1cc2cc(Cl)ccc2n1C 2325870991 XWTKBTIOJDHCOO-ZWNOBZJWSA-N 305.809 2.512 0 50 DFAA CCOC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 439246 UOHKUFJXSXPMQC-UHFFFAOYSA-N 322.364 2.550 0 50 DFAA Cn1cc([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 490605 HEMFWWKYRPPEJT-HNNXBMFYSA-N 320.348 2.931 0 50 DFAA biogenic O=C(NCCCN1CCCC1)c1ccc(Br)cc1 2921481 LCHFABLBHZNILR-UHFFFAOYSA-N 311.223 2.665 0 50 DFAA CCc1ccc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cc1 8262199 OEGWDOVIUCEFSR-OAHLLOKOSA-N 300.402 2.614 0 50 DFAA C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](CNc2ccccn2)C1 222200310 NUSLWGFFJYVQOW-OLZOCXBDSA-N 313.405 2.837 0 50 DFAA CCN(Cc1nc(COC)no1)C(=O)c1ccc(Cl)s1 55370429 BXIOYCQCNXMJBL-UHFFFAOYSA-N 315.782 2.593 0 50 DFAA CCCCn1ncc(C)c1NC(=O)c1csc(CN(C)C)n1 55134101 CYWZWYRUSPVJGJ-UHFFFAOYSA-N 321.450 2.762 0 50 DFAA Cc1cc(NCC2(Cn3ccnc3)CC2)nc(-c2cccnc2)n1 65395324 VLLCJDFQGKSVGF-UHFFFAOYSA-N 320.400 2.936 0 50 DFAA Cc1cc(C)cc(OCC(=O)Nc2cccc(C(N)=O)c2C)c1 27256269 DAOOQOJCICKHLO-UHFFFAOYSA-N 312.369 2.728 0 50 DFAA COc1cc(CC[C@@H](C)NCc2n[nH]c3c2CCC3)ccc1O 67561257 PUBUOHPVDUWEAB-GFCCVEGCSA-N 315.417 2.724 0 50 DFAA COc1ccc(OC)c(-c2cc(F)cc3c2O[C@@H](CN)C3)c1 34442692 LWGMIKVAAADCSE-CYBMUJFWSA-N 303.333 2.772 0 50 DFAA C[C@H](NC(=O)CCN1CCCCCC1=O)c1ccc(O)c(F)c1 67851541 SSJJEKCYPCALGC-LBPRGKRZSA-N 322.380 2.501 0 50 DFAA O[C@H]1CCN(Cc2ncccc2C(F)(F)F)C12CCCC2 353987155 NMGHDPIKPPGFHA-ZDUSSCGKSA-N 300.324 2.980 0 50 DFAA CCc1ccc(OCCOC[C@@H](O)CNC2CCCC2)cc1 2701437 NCJJLRANBARYRC-KRWDZBQOSA-N 307.434 2.538 0 50 DFAA c1ccc(-c2nc3ncccn3c2CN2CCSCC2)cc1 216540305 LGVPCXXPVGPHJI-UHFFFAOYSA-N 310.426 2.945 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1csc(C2CC2)n1 121936381 YZOXSUFSWMPNMQ-UHFFFAOYSA-N 316.382 2.991 0 50 DFAA C[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C[C@@H]1n1ccnc1 123423945 VFAFKADCDVDWJO-AAEUAGOBSA-N 303.341 2.532 0 50 DFAA CSc1cccc(-c2nccc(N3CCC[C@H](O)C3)n2)c1 215051906 MVQWORILXKEWDZ-ZDUSSCGKSA-N 301.415 2.827 0 50 DFAA CN(C)CCCN(C)C(=O)N[C@@H](c1ccccc1)c1ccco1 185265585 UTDVBLULNMQTDS-KRWDZBQOSA-N 315.417 2.962 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)Nc1ccnn1C 328616638 BWYAEFNBSSEOHK-NSHDSACASA-N 319.434 2.769 0 50 DFAA Cc1cc(=O)c(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c[nH]1 360937089 IHUUHTOGVIWGFI-UHFFFAOYSA-N 322.368 2.738 0 50 DFAA COC(=O)c1ccc(CN2CCCC23CCN(C)CC3)cc1 374327642 WTALCVNOPSAIST-UHFFFAOYSA-N 302.418 2.533 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2c2ccccc2)no1 363111695 QLBRYLDPNWFMGJ-KKUMJFAQSA-N 312.373 2.781 0 50 DFAA CCc1nn(C)c(CC)c1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 367965654 MUCFQJHRCBREQA-DLBZAZTESA-N 305.466 2.934 0 50 DFAA CCOc1cccc(NC(=O)Nc2cn(C)c(=O)cc2C)c1 156142716 GVCVKPIRQICONS-UHFFFAOYSA-N 301.346 2.736 0 50 DFAA O=C(O)c1cccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 238201294 SVQXZNDWLNEGDT-MRXNPFEDSA-N 317.385 2.949 0 50 DFAA COCc1cc(NC(=O)N2CCC=C(c3ccccc3)C2)ncn1 375431877 UAPFXOPROZXKFY-UHFFFAOYSA-N 324.384 2.944 0 50 DFAA COc1ccccc1O[C@H]1CCCN(C(=O)C2=COCCC2)C1 376483578 FLTGNSJAPYSFLG-HNNXBMFYSA-N 317.385 2.759 0 50 DFAA CC(C)C[C@@H](O)CNC(=O)COc1ccc2ccccc2c1 158988203 WORUEGFINJGBEF-MRXNPFEDSA-N 301.386 2.742 0 50 DFAA OCc1ccccc1CN1CCN(Cc2ccc(Cl)o2)CC1 215348326 VDJYCXYRGURPDD-UHFFFAOYSA-N 320.820 2.743 0 50 DFAA Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2CC23CCNCC3)s1 237600322 ZPYMDAAVYYAYKH-WCQYABFASA-N 307.463 2.669 0 50 DFAA C[C@H]1CN(c2ccccc2CNC[C@H]2CCCOC2)C[C@@H](C)O1 237654531 RWLUQEALPWRNBO-IXDOHACOSA-N 318.461 2.816 0 50 DFAA Cc1ccc(C(=O)NCCc2nc(C)c3c(n2)CCC3)s1 221357699 OSTNQDVFHSIENB-UHFFFAOYSA-N 301.415 2.616 0 50 DFAA COc1c(C)cc(C(=O)N2CCC(CC(=O)O)CC2)cc1C 263254548 ICGZCMLMURYPCD-UHFFFAOYSA-N 305.374 2.639 0 50 DFAA O=C(/N=c1\ccccn1C(=O)c1ccccc1)c1ccccc1 18007076 OZJOXJXPGMDHNC-LVZFUZTISA-N 302.333 2.918 0 50 DFAA Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1Cl 286142686 GMBHBCKNYFCMGD-YUELXQCFSA-N 323.820 2.650 0 50 DFAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2nnc(C)o2)n1 95378662 DADGUJDBUBKQON-ZETCQYMHSA-N 303.288 2.650 0 50 DFAA Cc1cccn2cc(CNc3ncnc4c3ncn4C3CC3)nc12 292848159 VXBRLIQSXAMCNY-UHFFFAOYSA-N 319.372 2.729 0 50 DFAA CC(C)=CCN1CC2(CCN(C[C@H]3CCCCO3)CC2)CC1=O 95516682 YMEVKAJXXOHICS-QGZVFWFLSA-N 320.477 2.836 0 50 DFAA CN(C)c1cnn(Cc2c(F)ccc(Cl)c2Cl)c(=O)c1 95382736 OXTGBXPKKAJBMD-UHFFFAOYSA-N 316.163 2.804 0 50 DFAA CCc1cccc(OC2CN(C(=O)Cc3cccc(O)c3)C2)c1 95376050 WVBRBHPTUGZLPB-UHFFFAOYSA-N 311.381 2.787 0 50 DFAA CO[C@@H](c1nc(-c2cnc(C3CCCC3)nc2N)no1)C1CC1 293186075 ZPWRJMATBQTUEF-GFCCVEGCSA-N 315.377 2.864 0 50 DFAA CCCc1cc(C(=O)N2CCC(CCn3cccn3)CC2)[nH]n1 92019627 MYZOCHXYOHLESI-UHFFFAOYSA-N 315.421 2.501 0 50 DFAA O=C1COc2ccc(CN3CCC[C@@H](C(F)(F)F)C3)cc2N1 294904151 MVXXAXWGLDIIGZ-LLVKDONJSA-N 314.307 2.792 0 50 DFAA CC(C)c1cc(NC[C@H](c2ccco2)N2CCCC2)ncn1 346619647 NDOHVFPMNRQSRZ-OAHLLOKOSA-N 300.406 3.442 0 50 DFAA COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CCC[C@H](N)C3)C2)cc1 299749007 IWHHZENSOJLKQH-SVGFKBNWSA-N 316.445 2.917 0 50 DFAA CCOc1ccc(OCCN(C)Cc2nnc(C)s2)cc1 299774234 FHFXXHSDLZKKFJ-UHFFFAOYSA-N 307.419 2.756 0 50 DFAA O=C(NCCc1cnc[nH]1)[C@H]1CCCc2c1[nH]c1ccccc21 827755800 WRWFTYFSZWFWRD-HNNXBMFYSA-N 308.385 2.670 0 50 DFAA CCCc1ncncc1C(=O)N(C)Cc1nc2ccc(C)cc2[nH]1 584895234 ZIABBZIUDVQQDU-UHFFFAOYSA-N 323.400 2.886 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N(C)C[C@@H]1CCCN1C 408521791 INFZBRRHGISNOA-CABCVRRESA-N 304.434 2.741 0 50 DFAA CCN(C)C[C@H]1CCN(c2cncc(OCC3CCCC3)n2)C1 185499524 DAGQXRMMWIJNGS-MRXNPFEDSA-N 318.465 2.824 0 50 DFAA Cc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1 169304549 SCHSTYMQIAXRAL-UHFFFAOYSA-N 314.370 2.732 0 50 DFAA CC1(C)CN(CCc2nnc(N)s2)C[C@@H]1c1ccccc1 170076842 DFBXUKVXMYOBSQ-CYBMUJFWSA-N 302.447 2.788 0 50 DFAA C[C@H](c1cnn(C)c1)N(C)C(=O)c1cccnc1C(F)(F)F 170089753 QCHAXIQNAZULSQ-SECBINFHSA-N 312.295 2.667 0 50 DFAA C[C@]1(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CCNC1 638604699 HOQUVDWXBNZBCT-HNNXBMFYSA-N 312.335 2.590 0 50 DFAA CN1CC[C@@H](N(C)C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 585113858 FGEWLZGEZXXBLB-CYBMUJFWSA-N 319.792 2.771 0 50 DFAA COc1ncc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)cn1 760069371 RGXSKGMQTHLQRN-HNNXBMFYSA-N 315.348 2.814 0 50 DFAA N[C@@H]1CC12CCC(NC(=O)Cc1ccc3cnccc3c1)CC2 1615544559 AEZOOFTZXNCOMN-TVRKMHQQSA-N 309.413 2.554 0 50 DFAA CN(C)c1ccc(C(=O)NCc2cc(C(F)(F)F)on2)cc1 1615590842 QFDIUSKITGIGOM-UHFFFAOYSA-N 313.279 2.689 0 50 DFAA Cn1ccc2c(NC(=O)N[C@H]3CCc4nccn4C3)cccc21 1616034376 DGDUKDQUDNURDF-LBPRGKRZSA-N 309.373 2.511 0 50 DFAA COc1ccc(Cl)cc1[C@H](C(=O)O)N1C[C@H](C)O[C@H](C)C1 1506425403 AUDRJGOULXLTKI-ISTVAULSSA-N 313.781 2.584 0 50 DFAA COc1ccc([C@H](C(=O)O)N2C[C@H]3CC=CC[C@H]3C2)cc1OC 1506410217 JTGBRPGLPRJHON-JKIFEVAISA-N 317.385 2.728 0 50 DFAA c1ccc(N2CC[C@H](N3CCC(Oc4ncccn4)CC3)C2)cc1 1506397480 CSWFMGYNFVNQJC-KRWDZBQOSA-N 324.428 2.599 0 50 DFAA CCN(C[C@@H]1CCCCO1)c1nc2cc(C(=O)O)ccc2n1C 1529173656 NQVPPKSXKQBACC-ZDUSSCGKSA-N 317.389 2.667 0 50 DFAA Cc1nc(-c2c(-c3ccccc3)noc2C)n(-c2ccnn2C)n1 1772811184 QYAVXZTTYKKQGX-UHFFFAOYSA-N 320.356 2.940 0 50 DFAA Nc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(Cl)cc1 11692979 GWYJAGQAJLHKDL-UHFFFAOYSA-N 313.748 2.755 0 50 DFAA Cc1ccccc1CNC(=O)c1ccc(CN2CCOCC2)cc1 19812765 GFXDKVDTTSZBQY-UHFFFAOYSA-N 324.424 2.757 0 50 DFAA Cc1ccc(C)c(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1 5074163 JMBZYHPLXNYRRP-UHFFFAOYSA-N 319.382 2.583 0 50 DFAA Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 2868215 QGVRXCFBKLRUDU-UHFFFAOYSA-N 324.380 2.720 0 50 DFAA COc1ccccc1CNS(=O)(=O)c1ccc(SC)cc1 2877577 JTQOBCXNMQBBQQ-UHFFFAOYSA-N 323.439 2.896 0 50 DFAA O=S(=O)(NCCC1=CCCCC1)c1ccc2c(c1)OCCO2 6243460 OASCWDLGISBCAX-UHFFFAOYSA-N 323.414 2.627 0 50 DFAA O=c1c(-c2cccc(C(F)(F)F)c2)[n+]([O-])c2ccccc2n1O 4852193 MCMNEMSJWUCTCC-UHFFFAOYSA-N 322.242 2.558 0 50 DFAA Cc1nn(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)c1Cl 113897735 OOWSPCCEMMLACC-ZDUSSCGKSA-N 321.812 2.630 0 50 DFAA Cc1ncccc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 115502577 FLIDEQGLCWVGMP-QGZVFWFLSA-N 323.396 2.658 0 50 DFAA CC(C)(C(=O)O)n1cc(NC(=O)c2sccc2C2CC2)cn1 439707580 KJEKIEBJAPVNLG-UHFFFAOYSA-N 319.386 2.894 0 50 DFAA Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(=O)O)s2)o1 237903581 RHCDYPJEFBUGAH-JTQLQIEISA-N 321.354 2.561 0 50 DFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)CN2CC1CCC1 248000146 NQNNRWRWXODNOE-MSOLQXFVSA-N 316.493 2.989 0 50 DFAA CCNC(=O)c1cc(NC(=O)[C@@H](C)SC)nc2ccccc12 152593854 JFPHXMUPDSEWMK-SNVBAGLBSA-N 317.414 2.675 0 50 DFAA COc1ccc(Br)cc1CN1CCC[C@@H](CO)C1 271777 CTYKSLAKIWMJKB-LLVKDONJSA-N 314.223 2.662 0 50 DFAA CCCn1c(CN2CCC[C@@H]2CC(=O)O)nc2ccccc21 902005762 ARUNDLVRUYREKZ-CYBMUJFWSA-N 301.390 2.885 0 50 DFAA O=C(O)c1ccc(CNC(=O)c2occ3c2CCC3)c(F)c1 909987256 NPEZXVIKSUNJLR-UHFFFAOYSA-N 303.289 2.536 0 50 DFAA CC(C)c1cccc(C(=O)N2CCc3occc3[C@H]2C(=O)O)n1 910202970 NTBLHNBEAOEYFY-HNNXBMFYSA-N 314.341 2.622 0 50 DFAA CCc1ncc(CN2CCC(O)(Cc3nc(C)cs3)CC2)o1 930985783 BUNAMFZPYSNYNL-UHFFFAOYSA-N 321.446 2.572 0 50 DFAA COc1ccc(C(=O)O)c2c1CCN(C(=O)OC(C)(C)C)C2 1857783524 WABJHSKPXZMXQC-UHFFFAOYSA-N 307.346 2.687 0 50 DFAA Cc1cc(=NC(=O)Cc2cnc(C(F)(F)F)s2)[nH]s1 1875326091 ZXITXNUMYFGEEN-UHFFFAOYSA-N 307.322 2.530 0 50 DFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(-c3ccncc3)cc2)cn1 1875384335 FKTGLTXBINZPCU-FDDCHVKYSA-N 320.396 2.745 0 50 DFAA Cc1nn(C2CCCCC2)c(C)c1NC(=O)[C@@]12COC[C@@H]1C2 1776002639 NGRRISFMZFRCHJ-GUYCJALGSA-N 303.406 2.980 0 50 DFAA COc1ccc(NC(=O)N(C)C[C@@]2(OC)CCSC2)cc1 2325800420 GBYOUAAFWQMXBE-HNNXBMFYSA-N 310.419 2.681 0 50 DFAA COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H]3C[C@](F)(CO)C3)C2)c1 2325805540 PUUAEYLBUDJUSR-BJDMCLSVSA-N 321.392 2.510 0 50 DFAA C[C@H](Cc1ccc(F)cc1)C(=O)NCc1nc2c([nH]1)CCCC2 1434391480 ZZCSEPNGGFCTHY-GFCCVEGCSA-N 315.392 2.923 0 50 DFAA O=C(c1cccc(F)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 225662869 ATNFVHHHRADSDV-UHFFFAOYSA-N 322.343 2.781 0 50 DFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 615909 URCMCAGJCXKTIR-GJZGRUSLSA-N 314.385 2.718 0 50 DFAA CC(C)C[C@H](C)NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 221979219 COVCMKRNPYEBFZ-SOUVJXGZSA-N 324.421 2.548 0 50 DFAA Cc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314390 HZHPFCVZYSEDBA-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA O=C(O)c1ccc(OC[C@@H]2CCCO2)c(Br)c1 8723216 WOSBDIDLNRBELL-VIFPVBQESA-N 301.136 2.705 0 50 DFAA O=C(c1cc2nccnc2cc1F)N1CCO[C@@H]2CCCC[C@H]21 279395180 URJMODGDIZOZGW-HZPDHXFCSA-N 315.348 2.553 0 50 DFAA FC(F)(F)COc1cccc(CN[C@@H]2CCCNCC2)c1 414913722 JNPFVEOFSQNTHD-CYBMUJFWSA-N 302.340 2.859 0 50 DFAA CCc1cc(CN(C)[C@H](CC)C(=O)NC2CCCCC2)on1 65454699 COOGMLHPOZETHG-MRXNPFEDSA-N 307.438 2.896 0 50 DFAA Cc1cc(=O)oc2cc(Oc3ncnc4c3CN(C)CC4)ccc12 253424788 GHMKRMBVAONXOY-UHFFFAOYSA-N 323.352 2.672 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ncoc1C 328621482 HSFDLWYNVJMEDT-NSHDSACASA-N 305.403 2.940 0 50 DFAA Cc1nc(O)c(C(=O)N(Cc2cccs2)C(C)C)nc1C 329097598 CHWILGYBUNSTCH-UHFFFAOYSA-N 305.403 2.911 0 50 DFAA COc1ncccc1C(=O)N1CCO[C@H](CC2CCCCC2)C1 12714185 NBUSFVAVSYCKBU-OAHLLOKOSA-N 318.417 2.902 0 50 DFAA COCCN1CCC[C@]2(CCN(C/C=C/c3ccco3)C2)C1 12701443 GNTGKOFFWCGYMZ-PSQUURQMSA-N 304.434 2.727 0 50 DFAA Cn1cc(C[C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)cn1 361407480 YDYUSUCENVRLFX-AWEZNQCLSA-N 322.412 2.535 0 50 DFAA Fc1cnc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 72168488 RNFZLGGTLSJQQA-KZNAEPCWSA-N 324.403 2.682 0 50 DFAA O=C(Nc1ccc2c(c1)CCN2)N[C@@H]1CCOC2(CCC2)C1 333319051 MSNSXIXKZITUQE-CQSZACIVSA-N 301.390 2.878 0 50 DFAA CCOC(=O)C[C@H](C)Nc1nccc(-c2ccc(C)nc2C)n1 71748058 CXGQFRPOKUCNRU-LBPRGKRZSA-N 314.389 2.909 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCCOc2ccccc2F)C1 237408234 XWORCGSODFJBBN-ZIAGYGMSSA-N 308.397 2.571 0 50 DFAA COCCC1(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CCC1 157212172 FMUXOQSLSXHYIN-INIZCTEOSA-N 319.401 3.000 0 50 DFAA COCc1nn(C)cc1C(=O)N1CCCC[C@H]1c1ccco1 449880517 PBGFOENLFOYIOR-AWEZNQCLSA-N 303.362 2.527 0 50 DFAA NS(=O)(=O)c1ccc(-n2ccnc2C2CCCCC2)cc1 71765535 AFLAVNIOBUAXNQ-UHFFFAOYSA-N 305.403 2.567 0 50 DFAA Cc1nc(C)c(CCNC(=O)c2ccnc3ccncc23)s1 187080947 QONPXUJSOIKYGT-UHFFFAOYSA-N 312.398 2.676 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)n1 223522867 XUJRKYASHHYRHI-MRXNPFEDSA-N 313.401 2.742 0 50 DFAA C[C@@H]1CCCCN1C(=O)CN(C)Cc1nc2c(s1)CCCC2 175540161 RSZGGXSHHDJGBF-CYBMUJFWSA-N 321.490 2.855 0 50 DFAA CCOc1cc(S(=O)(=O)Oc2ccccn2)ccc1Cl 230518146 VZIIMZWLHSVUEQ-UHFFFAOYSA-N 313.762 2.901 0 50 DFAA Cc1nc(C(=O)NC[C@@H](c2ccccc2C)N(C)C)cs1 96141531 YYLDSNLFCQZJIM-HNNXBMFYSA-N 303.431 2.793 0 50 DFAA Cc1ccccc1[C@H](C(=O)NCCCC(C)(C)CO)N(C)C 95362575 FQSQUCPCCBFEMU-MRXNPFEDSA-N 306.450 2.513 0 50 DFAA CCCC[C@H](c1cccnc1)N(C)C(=O)Cn1ccccc1=O 97527966 JWJNWUXXLJJECJ-MRXNPFEDSA-N 313.401 2.633 0 50 DFAA CC1(C)C[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CCO1 293728985 ZRCHFUQLMKLARD-GFCCVEGCSA-N 316.401 2.604 0 50 DFAA O=C(CCSCc1ccccc1)NC[C@@H]1CCCCCN1 243892579 AJESROMAWOUWFM-INIZCTEOSA-N 306.475 2.958 0 50 DFAA c1ccc(CN2CCC(NCc3cccc4[nH]ncc34)CC2)nc1 623360873 CAIVBZGIAJKDOR-UHFFFAOYSA-N 321.428 2.712 0 50 DFAA CC(C)(C)c1nc(N2CC[C@H](n3cnc4c3CCCC4)C2)no1 299749405 KEYMMDHWKXCYAL-LBPRGKRZSA-N 315.421 2.894 0 50 DFAA CN(CCC(=O)O)C(=O)CSc1cccc(C(F)(F)F)c1 262867132 IIYCBDKUDKSDNH-UHFFFAOYSA-N 321.320 2.731 0 50 DFAA Cc1nc(C(=O)NCc2ccco2)nn1-c1cccc(Cl)c1 261490568 JNNQBICCOYXSLW-UHFFFAOYSA-N 316.748 2.752 0 50 DFAA O=C(NCCCc1ccccc1Cl)NC1(CO)CCCC1 534658210 GBJNIWNQJNHUNK-UHFFFAOYSA-N 310.825 2.877 0 50 DFAA CC(C)n1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)cn1 299754490 XZRHUZAGEQSYBJ-NVXWUHKLSA-N 318.465 2.801 0 50 DFAA biogenic CC[C@@H](NC(=O)Nc1cc(C)nn1C(C)C)c1ccnn1C 299768355 MQJZNQPKXZDBCN-GFCCVEGCSA-N 304.398 2.779 0 50 DFAA CCc1noc(CN(CC)C(=O)N[C@H](CC)c2nccs2)n1 584887775 POOTWADBCRSPTH-SNVBAGLBSA-N 323.422 2.771 0 50 DFAA CC[C@@H](c1ccnn1C)n1cnc2ccc(Cl)cc2c1=O 584901063 UZHATRDOGIGTEP-ZDUSSCGKSA-N 302.765 2.783 0 50 DFAA COc1ccc(Cn2ncnc2[C@H](C)CN2CCCCC2)cc1 670461409 FSCQMVWEYCIGCT-OAHLLOKOSA-N 314.433 2.924 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)[C@@H]2CC(C(C)C)=NO2)c1C 952983188 OORILQUIMLMJIR-LBPRGKRZSA-N 316.361 2.625 0 50 DFAA CC(C)c1cc(C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)nc(N)n1 952862186 NCTDUTVDEZRUTG-FRRDWIJNSA-N 300.406 2.514 0 50 DFAA CCCN(Cc1ccc(OC)c(C(=O)O)c1)[C@H]1CCCC[C@@H]1O 1565508678 LULQOWOAQAXVJJ-HOTGVXAUSA-N 321.417 2.909 0 50 DFAA Cc1ccc([C@H]2C[C@@H](C)N(CC3(CS(C)(=O)=O)CC3)C2)cc1 408514827 XDPLQOKYYYQEOA-WBVHZDCISA-N 321.486 2.998 0 50 DFAA C[C@H](CNC(=O)Nc1nccn1-c1ccccc1)Cn1cccn1 170616924 SXKKWBVQEKZMFI-CQSZACIVSA-N 324.388 2.527 0 50 DFAA Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 665399743 VQCWMSKXQJXOEC-ZIAGYGMSSA-N 303.793 2.536 0 50 DFAA Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H]([C@H]2CCNC2)C1 638263966 XFKLVYUCWRSQQO-JKSUJKDBSA-N 313.445 2.729 0 50 DFAA O=C(Nc1ccc(Cl)c(OC(F)F)c1)[C@H]1C[C@H]1C(=O)O 191616340 ZFEOPWNNTSWNNV-NKWVEPMBSA-N 305.664 2.601 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 710738395 VDJNRBXVBZRXFC-SECBINFHSA-N 309.671 2.784 0 50 DFAA CN=[S@@](C)(=O)CCNC(=O)Nc1cc(Cl)ccc1Cl 585086374 NXUFRXVPLLCABW-IBGZPJMESA-N 324.233 2.843 0 50 DFAA CSc1cc(NS(=O)(=O)c2cc(C)sc2C)ncn1 585129542 NCHSZHRXMUDYRC-UHFFFAOYSA-N 315.445 2.678 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)c2cnc(O)c(Cl)c2)c1 1506406500 MXLSYSTYKWJIAD-UHFFFAOYSA-N 305.765 2.725 0 50 DFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(Cl)cc1)C2 212837177 FBILEKYHRACDCE-HIFRSBDPSA-N 320.820 2.813 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@@H]2O)on1 1529147382 YIPSZGQSCUWBHA-WBMJQRKESA-N 324.783 2.811 0 50 DFAA Cc1ccc([C@@H](C(=O)O)N2CCC3(CCCO3)CC2)cc1F 1529099955 JKJMDUVDPNFYJS-HNNXBMFYSA-N 307.365 2.905 0 50 DFAA CCn1cc(Br)c(=O)c(NC(=O)[C@@H](C)C2CC2)c1 347909384 LVKJUFJMWASDQF-QMMMGPOBSA-N 313.195 2.615 0 50 DFAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1cnsn1 1615616366 ZHDSQLYSLHGMPZ-SECBINFHSA-N 322.459 2.782 0 50 DFAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1c[nH]nc1C1CCCCC1 1772804880 DKJDHNSTDIBKSL-HOTGVXAUSA-N 316.449 2.814 0 50 DFAA Cc1cc(C)nc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 5236396 UEFKHFFFBBQZDN-UHFFFAOYSA-N 309.373 2.635 0 50 DFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1c[nH]c2ccccc12 13125272 FOMOLPVLQGNAGP-HNNXBMFYSA-N 323.356 2.611 0 50 DFAA N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 14632711 ZPXIQFOUPUVVPU-VUSFMPOISA-N 301.411 2.934 0 50 DFAA in-vivo Cc1ccc(CC(=O)NCc2nc(-c3cccs3)no2)cc1 16626594 JVGQWSWJKCKTKN-UHFFFAOYSA-N 313.382 2.965 0 50 DFAA O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(F)cc1 4844726 LOOZJVHVDDQWPI-UHFFFAOYSA-N 318.329 2.651 0 50 DFAA Cc1occc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331556792 JDHGEZKOHPWLTE-XHDPSFHLSA-N 307.296 2.814 0 50 DFAA Cc1nc2c(C)cc(-c3ccc([C@@H]4CNC(=O)C4)cc3)cn2n1 1875246062 YDFHBOARKNBKLW-HNNXBMFYSA-N 306.369 2.617 0 50 DFAA CO[C@@](C)(C(=O)NCCc1ccc(F)cn1)c1ccccc1F 408523516 SIJHGULYSDUGFW-QGZVFWFLSA-N 320.339 2.580 0 50 DFAA O[C@H](CSc1nnc(-c2ccccc2)[nH]1)CC(F)(F)F 225545780 WWXUESJYSUDJHA-VIFPVBQESA-N 303.309 2.877 0 50 DFAA CCC(CC)(CN)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 423788339 DFWCXUPKGAORND-HNNXBMFYSA-N 314.433 2.575 0 50 DFAA CC1(C)CCCN1S(=O)(=O)c1ccccc1-c1ccno1 329324805 IIPARCIYPMFXJC-UHFFFAOYSA-N 306.387 2.905 0 50 DFAA N[C@H]1CC[C@@H](C(=O)NCc2cc(F)ccc2C(F)(F)F)C1 247703822 BZROYZOZGAAWOD-KCJUWKMLSA-N 304.287 2.588 0 50 DFAA Cc1cc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)n2nc(C(F)(F)F)nc2n1 252504981 HEDGOGGRUSNJGC-GMOBBJLQSA-N 323.322 2.686 0 50 DFAA Cn1nccc1[C@@H]1CCCN1CCC(=O)Nc1cccc(F)c1 928996442 SPCQEQLAMKYZIZ-INIZCTEOSA-N 316.380 2.725 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn21 868742430 XXCAQUKALNTVAC-VXNVDRBHSA-N 305.769 2.573 0 50 DFAA Cc1nscc1CNc1cccc(-n2cnc(N(C)C)n2)c1 1875284960 XBDVRCYNKNTRQB-UHFFFAOYSA-N 314.418 2.710 0 50 DFAA Cc1ccc([C@H]2CCN(C(=O)Cc3ccc(O)cn3)C2)c(C)c1 1875293503 SMBQCABETZYNTJ-HNNXBMFYSA-N 310.397 2.963 0 50 DFAA Fc1cncc(Cl)c1N1CCO[C@H](c2noc(C3CC3)n2)C1 1875286842 JGJCCXUTBJCNBN-NSHDSACASA-N 324.743 2.712 0 50 DFAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N[C@@H]1CC[C@H]1O 2325754387 VJPWXXQXDMMSNC-VQIMIIECSA-N 320.392 2.948 0 50 DFAA CC1=N[C@](C)(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)CS1 2325803675 UWPFJLHXECEEHV-GDBMZVCRSA-N 306.479 2.769 0 50 DFAA C[C@]1(NC(=O)c2occ3c2CCOC3)CCOc2ccccc21 887058735 RZPLGFXYHCXJAW-SFHVURJKSA-N 313.353 2.780 0 50 DFAA COc1cc(-c2nc(-c3cccnc3)no2)cc(OC)c1OC 87917 KSRDWNZTRHPTDX-UHFFFAOYSA-N 313.313 2.824 0 50 DFAA Cc1[nH]c2c(C)cccc2c(=O)c1CN1C[C@H](C)O[C@@H](C)C1 142544 XLGAETQZHZJVIJ-STQMWFEESA-N 300.402 2.754 0 50 DFAA COc1cccc2cc(C(=O)NCc3ccccc3)c(=O)oc12 858809 DOYKMMHJWXCTBG-UHFFFAOYSA-N 309.321 2.732 0 50 DFAA COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1 2382439 ISEHHCOIDMZBSU-KBPBESRZSA-N 321.373 2.730 0 50 DFAA Cc1ccc(C)c(NC(=O)N2CCC[C@]23CCCNC3=O)c1 2356159956 XHVBKSARKRGTCP-KRWDZBQOSA-N 301.390 2.580 0 50 DFAA CC(C)N1CCC[C@@]2(CCCN2Cc2cc(C3CC3)on2)C1=O 2356162446 CIKVGLSRMBEDLG-SFHVURJKSA-N 317.433 2.917 0 50 DFAA CCc1ccc(CC(=O)NC[C@H]2COc3ccccc3O2)cc1 225281951 IOUKDZJLQHTCMK-INIZCTEOSA-N 311.381 2.748 0 50 DFAA O=C(NC1CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 9234844 AXYHVASONONNKR-QMMMGPOBSA-N 313.184 2.625 0 50 DFAA Cc1nnc(NC(=O)N2CCOc3ccc(Cl)cc3C2)s1 55368620 KXNBETUUQUUAOE-UHFFFAOYSA-N 324.793 2.926 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cccc3cn[nH]c13)CC2 245466410 YXZVXPQHFWCLQW-GJZGRUSLSA-N 312.417 2.650 0 50 DFAA CC[C@@H](NC(=O)c1occc1C)c1ccc(S(C)(=O)=O)cc1 67541860 CTQXESPSQNIANW-CQSZACIVSA-N 321.398 2.873 0 50 DFAA c1ccc(COc2cccc(CN3CCN4CCC[C@H]4C3)c2)nc1 245705052 DXMVGFUGVKAGCC-IBGZPJMESA-N 323.440 2.941 0 50 DFAA COc1cccc(C[C@@H](C)NCCC(=O)N2CCC(C)CC2)c1 65526241 CYSNHEOHUXLSFY-MRXNPFEDSA-N 318.461 2.864 0 50 DFAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CC1CCOCC1 347734547 HPEUQZWJYBSFCP-BQFCYCMXSA-N 309.450 2.735 0 50 DFAA COCc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)ncn1 230239949 WOAONNVHHAIRTP-FPMFFAJLSA-N 304.394 2.665 0 50 DFAA CCN(CC(=O)NC[C@@]1(C)CCCC[C@H]1O)c1ccccc1 252669922 IZKDTPFMRFGQDE-SJLPKXTDSA-N 304.434 2.570 0 50 DFAA COc1cc(CC2CN(C(=O)c3ccc(C)o3)C2)cc(OC)c1 360424407 LXVLOQTYOQXLJS-UHFFFAOYSA-N 315.369 2.920 0 50 DFAA Cc1noc2ncnc(N(C)C[C@@H]3CCN(c4ccccc4)C3)c12 77355156 BXJAEHCGVKJWRM-AWEZNQCLSA-N 323.400 2.889 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)CC1 72172434 MSASHSLZIOTTQG-CQSZACIVSA-N 315.392 2.930 0 50 DFAA Cc1nc([C@@H]2CCCN(c3ccc4nncn4n3)C2)sc1C 333551077 MNBLYSPBKXOCIZ-GFCCVEGCSA-N 314.418 2.582 0 50 DFAA CCn1cccc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)c1=O 333849105 WWDXYYTWWRXUTF-BYNSBNAKSA-N 313.401 2.544 0 50 DFAA CC1(C)C(c2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3O4)n[nH]2)C1(C)C 333995773 NKMWZBZDQOBYLR-NQBHXWOUSA-N 317.433 3.455 0 50 DFAA O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCCc3ccccc3C2)C1 171790640 HQWIEKYVKLHFLA-LSDHHAIUSA-N 301.386 2.852 0 50 DFAA Cn1ccc(CCC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)n1 452511009 MRBWTNXGHWJBOZ-AAEUAGOBSA-N 317.355 2.980 0 50 DFAA CCN1C[C@]2(CCCN(c3nc(C)nc(C)c3C)C2)CCC1=O 72475023 MDSLLEVPJRMFIF-SFHVURJKSA-N 316.449 2.631 0 50 DFAA CCO[C@H]1C[C@@H](NC(=O)c2cnn(C3CCCCC3)c2C)C1 457880402 RCJAJGZMYACTAF-OTVXOJSOSA-N 305.422 2.994 0 50 DFAA CN(CCC(=O)O)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 263016671 SAJONLAKVPZXRR-NWDGAFQWSA-N 315.291 2.742 0 50 DFAA C[C@H](NC(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1)[C@@H]1C[C@H]2CC[C@H]1C2 263106680 BJYFAVXWKDMMBY-XZBVAUNFSA-N 308.422 2.563 0 50 DFAA COc1ccc([C@@H](NC(=O)c2ccc[nH]2)c2ccncc2)cc1 223520919 CDEJJZMLJGFPKL-QGZVFWFLSA-N 307.353 2.938 0 50 DFAA COCc1ncsc1C(=O)N1C[C@H](C)Oc2c(F)cccc21 285026716 RZFHNVRIXHAMLN-VIFPVBQESA-N 322.361 2.856 0 50 DFAA O=C(CN1C[C@H](c2ccccc2)CC1=O)N1Cc2ccccc2C1 95526135 UVRKCZRZGSXPLJ-GOSISDBHSA-N 320.392 2.545 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)c1cc2ccccc2s1 177561144 WVEBUROUQSPQBL-ZYHUDNBSSA-N 302.399 2.605 0 50 DFAA Cc1ccc(F)cc1-c1cc(C(=O)N2CCOCC2)ccn1 97172923 UPNNVYIZPPYNFZ-UHFFFAOYSA-N 300.333 2.669 0 50 DFAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ncccc2O)C1 95509842 MHODNYAVWOYIBB-CYBMUJFWSA-N 314.389 2.584 0 50 DFAA Cc1nc(N2CCC3(CC2)COC(=O)O3)c2ccsc2n1 95372914 SBGFGIXFJFHZRZ-UHFFFAOYSA-N 305.359 2.506 0 50 DFAA NC(=O)NC1(C(=O)N2CCC[C@@H]2c2cccc3ccccc23)CC1 162521133 TYPYQHJKUADKGB-MRXNPFEDSA-N 323.396 2.704 0 50 DFAA O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccsn1 294966075 NXIYEMPIAPTGCQ-JSGCOSHPSA-N 306.362 2.932 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(N(C)C)cn1 182457342 FFOFVGUIVCSSHY-UHFFFAOYSA-N 301.394 2.660 0 50 DFAA FC1(F)CCCN(c2nccc(N[C@@H]3CCCOC3)n2)CC1 624521613 QKNQGSSFARWEND-GFCCVEGCSA-N 312.364 2.693 0 50 DFAA Cc1ccc(S(=O)(=O)Cc2nnc(C(C)C)n2C)cc1C 183509248 QJTJUSLIVYVYAG-UHFFFAOYSA-N 307.419 2.529 0 50 DFAA Cc1ocnc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCCO2 534667907 YMDBADKODMLGOO-JTQLQIEISA-N 302.330 2.635 0 50 DFAA O=C(C[C@@H](c1ccsc1)n1cccc1)NCCn1ccnc1 263588668 WWRWIPFXCCVFGI-HNNXBMFYSA-N 314.414 2.542 0 50 DFAA CCC(=O)N1CCC(NC(=O)c2cc3cc(C)ccc3[nH]2)CC1 299778315 MJGIVYDBYYFYBJ-UHFFFAOYSA-N 313.401 2.607 0 50 DFAA Cc1cnc(SCc2cccnc2)nc1[C@H]1CCCNC1 299779269 RGCUGBXSGKAEBQ-AWEZNQCLSA-N 300.431 2.939 0 50 DFAA CCCn1ncnc1[C@H](C)NC(=O)CCc1cccc(F)c1 299799521 SBFXWJSFXFQMLZ-LBPRGKRZSA-N 304.369 2.637 0 50 DFAA Cc1nc(C)c(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)o1 825268488 ISDPVJVZUFBUFD-CYBMUJFWSA-N 319.430 2.747 0 50 DFAA CC[C@H](NC(=O)N(C)CCN1CCCCCC1)c1ncc(C)[nH]1 584892476 CLDQYEOEXOQONV-HNNXBMFYSA-N 321.469 2.687 0 50 DFAA Cc1c(NC(=O)c2cnc(C3CC3)nc2)cccc1C(=O)N(C)C 952987899 HIHUOHNJFOOKAM-UHFFFAOYSA-N 324.384 2.617 0 50 DFAA Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cc(C)n1 952969666 BIXWCFRGIRHHID-UHFFFAOYSA-N 311.385 2.961 0 50 DFAA C/C=C/CN1CCC(CNC(=O)c2ccc(Cl)cn2)CC1 952861384 DZDBCLUNCZCDSL-NSCUHMNNSA-N 307.825 2.753 0 50 DFAA NC(=O)[C@H](NCc1ccc2c(n1)CCC2)c1ccc(Cl)cc1 1461821989 ZGOJYUKARYQAHR-MRXNPFEDSA-N 315.804 2.540 0 50 DFAA Cc1ncc(/C=C\C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)s1 268950865 SWKJWBGZMPMNOI-YYWDSJPTSA-N 320.414 2.709 0 50 DFAA O=C1CNC(=O)N1Cc1ccc(NC2CC3(CCCC3)C2)cc1 893540497 ITUMBOAKYGIOJK-UHFFFAOYSA-N 313.401 2.873 0 50 DFAA CCOc1cc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)ncn1 274578004 AVZCRMSKPXJYSJ-GFCCVEGCSA-N 315.377 2.520 0 50 DFAA CO[C@](C)(C(=O)O)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 663054132 KAJMDHMBBOHIQM-KDOFPFPSSA-N 319.401 2.696 0 50 DFAA Cc1cccc(CC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)c1 170606159 DXILNBRGPVQDOB-LJQANCHMSA-N 308.381 2.537 0 50 DFAA NCc1cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)co1 187446232 GOUBKHXOYRDMIA-HNNXBMFYSA-N 302.349 2.725 0 50 DFAA CC(C)c1ccc2ncnc(N[C@@H]3CCc4ncnn4C3)c2c1 647867523 LPGHSQUDCBFPSP-CYBMUJFWSA-N 308.389 2.772 0 50 DFAA O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C(F)F)cc1 194293187 OXZOGROXCKRJHQ-UHFFFAOYSA-N 322.286 2.959 0 50 DFAA O=C(c1cccc(OC2CCCC2)c1)N(CCO)CC(F)F 194367199 GBRAYYORDNNGRA-UHFFFAOYSA-N 313.344 2.708 0 50 DFAA Cn1cc(Cl)cc1C(=O)Nc1ccc(-c2nnco2)cc1 194491483 WUUQICKEKYSSBX-UHFFFAOYSA-N 302.721 2.981 0 50 DFAA CC(=O)Nc1ccc(C)cc1NC(=O)C1CCN(C2CC2)CC1 195448353 IMNBPYGIRFCBCF-UHFFFAOYSA-N 315.417 2.766 0 50 DFAA c1ccc2c(c1)CC[C@H](NCc1nc(-c3ccncc3)no1)CO2 585080249 RMOIHZIIAWJDOI-HNNXBMFYSA-N 322.368 2.615 0 50 DFAA C[C@H](CC(=O)N[C@@H](C)c1cc(O)n[nH]1)Cc1cccc(F)c1 585127495 BPLUXZVKCSADIL-QWRGUYRKSA-N 305.353 2.701 0 50 DFAA CN1CC[C@H](CSc2nnc3sc4ccccc4n23)C1=O 585119078 PLHMVZQVEHZAOE-SECBINFHSA-N 318.427 2.514 0 50 DFAA COc1ccc2c(c1NC(=O)N1CCOC[C@H](C)C1)CCC2 792452773 NGPJQKHIMWDZRN-GFCCVEGCSA-N 304.390 2.684 0 50 DFAA c1ccc2oc(CN3CCN4[C@H](COC[C@H]4C4CC4)C3)cc2c1 1615737450 SBHZBJAXVCRSOM-WMZOPIPTSA-N 312.413 2.728 0 50 DFAA CCc1ccc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)s1 1615735396 MDYAGFLCSKMWBH-YOEHRIQHSA-N 306.475 2.606 0 50 DFAA CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F 384742 SOHRTZOOFXYVGN-UHFFFAOYSA-N 301.383 2.835 0 50 DFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCc1cccs1)OC2=O 12384131 GLNNMQCOUIPKKX-CVEARBPZSA-N 307.415 2.529 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)nn1C 14978296 WABZXNPXVPKJJG-MRXNPFEDSA-N 318.465 2.503 0 50 DFAA Cc1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1 16381945 QCWZIJJKJZPVBE-UHFFFAOYSA-N 324.380 2.801 0 50 DFAA COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 19942874 FJTNFMCISJJOHE-RYUDHWBXSA-N 311.447 2.979 0 50 DFAA COc1ccc(OC)c(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)c1 169779287 FTDNYLSOJUIRKU-UHFFFAOYSA-N 312.329 2.674 0 50 DFAA CCn1c(SCC(N)=O)nnc1-c1ccc(C(C)C)cc1 6741684 GPPFDGVPTQLACE-UHFFFAOYSA-N 304.419 2.666 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)nn2-c2ccc(C)cc2C)CC[C@H]1N 1857737188 AOOSNWJEPRKDFZ-ZMSDIMECSA-N 314.433 2.802 0 50 DFAA COc1cc(C(=O)Nc2ncnn2C(C)(C)C)ccc1Cl 225791848 BUYGOVOWHHYTFU-UHFFFAOYSA-N 308.769 2.947 0 50 DFAA CCc1[nH]ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 367644893 OQCOMAVAMNRHOZ-CVEARBPZSA-N 312.413 2.815 0 50 DFAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@@H](C)N1CCCC1=O 585131962 KQZWYVCIHQFYJK-LPMFXHHGSA-N 314.429 2.827 0 50 DFAA CC(C)c1ncsc1C(=O)N[C@@H](c1ncccn1)C1CC1 906230807 SIKOHJCKOMEGPR-GFCCVEGCSA-N 302.403 2.938 0 50 DFAA Cc1noc(C(F)F)c1C(=O)N[C@H](c1ncccn1)C1CC1 906231848 GEYLJLQUVGUSLI-JTQLQIEISA-N 308.288 2.592 0 50 DFAA CCc1ccc2c(c1)CCN2C(=O)Nc1cn(C)nc1OC 931053006 MMZMICOOWANVHO-UHFFFAOYSA-N 300.362 2.586 0 50 DFAA O=C(c1cnc(-c2ccco2)s1)N(C1CC1)[C@@H]1CCCNC1 1875278105 ZJPYHRSTWRSRKW-GFCCVEGCSA-N 317.414 2.760 0 50 DFAA O=S(=O)(C[C@@H]1C[C@H]1C(F)F)NCc1cc2ccccc2o1 1875288702 YFXXSHRISWHQED-CMPLNLGQSA-N 315.341 2.753 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CC[C@H](C3CC3)O2)[nH]1 1875272136 LJJUUHQFOUNJPB-RHSMWYFYSA-N 310.401 2.638 0 50 DFAA COc1ccc2c(c1)CN(c1cc(C)nc3nc(C)nn13)[C@H](C)C2 1875275851 AGENSBCPGIDFGI-GFCCVEGCSA-N 323.400 2.701 0 50 DFAA Cn1cnc2cccc(C(=O)Nc3c[nH]nc3-c3nccs3)c21 1875332032 KNBDDYSDBVZGEX-UHFFFAOYSA-N 324.369 2.672 0 50 DFAA CO[C@]1(c2nnc(COCc3ccccc3Cl)o2)CCOC1 886086165 QZIPAGXXXYMVOF-OAHLLOKOSA-N 324.764 2.702 0 50 DFAA O=C(c1cn[nH]c1)N1CCC(c2ccccc2)(N2CCCC2)CC1 887615172 WWJXYBBPCNQWKK-UHFFFAOYSA-N 324.428 2.637 0 50 DFAA CCOc1cc(CN2Cc3ccccc3[C@H](C(=O)O)C2)ccn1 1776914878 JVBLMEYDRHHARG-MRXNPFEDSA-N 312.369 2.664 0 50 DFAA CN(C(=O)c1nc2c(s1)CCCC2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100477127 IDGMGBWNMHDASJ-MPZDIEGVSA-N 320.458 2.643 0 50 DFAA C[C@H]1CCCn2c(C(=O)N(CCCN)CC3CCCC3)cnc21 2325798830 CIGBQBMQSHDTEF-AWEZNQCLSA-N 318.465 2.762 0 50 DFAA Cc1nc(-c2cccc(NC(=O)N3CCCc4n[nH]cc43)c2)no1 878457134 GZFGCIVSDREPCA-UHFFFAOYSA-N 324.344 2.753 0 50 DFAA CCN(C)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)c1 110659168 SVESSXOBJYIHEG-XJKSGUPXSA-N 305.422 2.815 0 50 DFAA N[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C1 132646119 KHZOYNFKWGDRBK-YWNRKNDBSA-N 318.726 2.932 0 50 DFAA Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 47702 NOGBMKVETSMADM-UHFFFAOYSA-N 308.337 2.620 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cn1 111038 HCVZRDJJJMZXJL-UHFFFAOYSA-N 312.778 2.686 0 50 DFAA COc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 162981 VJSVGMPTFKDYOC-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA biogenic COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1OC 1052499 JMEMTZYJXZKPRO-VXGBXAGGSA-N 307.346 2.533 0 50 DFAA Cc1cccc2nc(NC(=O)c3csc(CN(C)C)n3)[nH]c12 2356148458 YEMKSSNITBOYLM-UHFFFAOYSA-N 315.402 2.642 0 50 DFAA Cc1ccc(Cl)cc1C(=O)N1CCC[C@@]12CCCN(C)C2=O 2356163346 YVGLWNAPONOWER-QGZVFWFLSA-N 320.820 2.875 0 50 DFAA Cc1ccc(COc2cccc(CNc3nnnn3C)c2)cc1 4999774 QMFFJAVCMFIARW-UHFFFAOYSA-N 309.373 2.710 0 50 DFAA CC(C)(C)c1csc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 102378766 FRZPHMYLDRVIAB-XPXLGCRWSA-N 320.414 2.902 0 50 DFAA CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9286882 RBHSTCIWNSNGKS-DZGCQCFKSA-N 318.392 2.970 0 50 DFAA COc1cc(C)c([C@H]2CC(=O)NCc3nc(N)sc32)cc1C 65502408 DDYRSNWBHNARLB-LLVKDONJSA-N 317.414 2.503 0 50 DFAA C1=CO[C@@H](CN2CCCC[C@H]2c2nnc3n2CCCC3)CC1 249036988 SUBSBFNXBNYMJO-CABCVRRESA-N 302.422 2.834 0 50 DFAA CC(C)Cc1nc(CCCn2cncn2)n(-c2ccccc2)n1 65386079 KUVIDNYKTIGREN-UHFFFAOYSA-N 310.405 2.690 0 50 DFAA CCOc1ccccc1CN1CCN(CC(C)C)[C@@H](CCO)C1 20453980 LATOBVAQNALRJP-SFHVURJKSA-N 320.477 2.610 0 50 DFAA CCCc1nc(CNC(=O)[C@@H]2COc3ccccc3O2)cs1 67642626 BSJUHTHYWKQISZ-AWEZNQCLSA-N 318.398 2.552 0 50 DFAA O=C1C[C@H](C2CCNCC2)c2c(-c3ccc(F)cc3)n[nH]c2N1 65397244 JWIVJRPLXTZSLM-CYBMUJFWSA-N 314.364 2.641 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)N(CCO)Cc1nccs1 65406682 WFKKSDJDWSFBSQ-AWEZNQCLSA-N 316.426 2.584 0 50 DFAA CCSc1cc(Cl)ccc1C(=O)NCc1nccc(N)n1 128467253 RWRXUECOKVKLTD-UHFFFAOYSA-N 322.821 2.754 0 50 DFAA O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 1386231 YIGYFDAHCNYMIX-UHFFFAOYSA-N 317.103 2.504 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1C(=O)OC(C)(C)C 425039486 MYSFDIOAQXVNRR-ZYHUDNBSSA-N 310.419 2.726 0 50 DFAA Cc1ccnc([C@H](NC(=O)Cn2nc(C)c(C)c2C)C2CC2)c1 215114671 DBQGKHQFPRHVIE-GOSISDBHSA-N 312.417 2.779 0 50 DFAA Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 121268567 KKDLMEZCZYVIMY-UONOGXRCSA-N 307.365 2.684 0 50 DFAA CCCCn1ncc(NC(=O)c2cn(C)nc2C2CC2)c1C 358080943 QQRNWJRMUFZLRJ-UHFFFAOYSA-N 301.394 2.855 0 50 DFAA CCc1noc([C@@H](C)N2CCC[C@H]2c2c(C)nn(C)c2OC)n1 257365334 MIRIFWWWMMWYAY-NEPJUHHUSA-N 319.409 2.581 0 50 DFAA CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@@H](N)C[C@@H]2C)c1 236750961 LKNANVDCLZIMKL-WIPWUNCGSA-N 302.418 2.825 0 50 DFAA N[C@H]1CCC[C@@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1 215195776 OOZVMAVANAQWMP-MFKMUULPSA-N 318.314 2.978 0 50 DFAA O=C(CN1CCC[C@@H](COc2ccccc2Cl)C1)NC1CC1 157051109 JDDYREZJZDQVAP-CYBMUJFWSA-N 322.836 2.709 0 50 DFAA FC(F)(F)COc1cccc(-c2nc([C@@H]3CCCO3)no2)n1 239672610 BUCAAPOWBHVUEW-VIFPVBQESA-N 315.251 2.924 0 50 DFAA O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)[C@H](O)C1CCCCC1 333731924 PTNOKMPRRQAWLC-RCCFBDPRSA-N 317.429 2.822 0 50 DFAA CC(C)C1(C)CCN(C(=O)NCc2nc(C3CC3)n[nH]2)CC1 334085186 LOLNCEHESGZUDP-UHFFFAOYSA-N 305.426 2.650 0 50 DFAA CSCC(=O)N1CCC[C@](CO)(Cc2ccccc2C)C1 13593425 MMFZJURVYUMXPL-KRWDZBQOSA-N 307.459 2.502 0 50 DFAA O[C@]1(C(F)(F)F)CCN(c2nc(-c3ccccc3)ns2)C1 173986255 WASPXEHXVOKGFX-GFCCVEGCSA-N 315.320 2.709 0 50 DFAA Cn1c(C(=O)NCC[C@@H]2CCOC2)cc2cccc(Cl)c21 426431379 SDZBNBKSERQNHX-LLVKDONJSA-N 306.793 2.988 0 50 DFAA COc1ccc(-c2nc(C(F)(F)F)n[nH]2)c(OC)c1OC 426382819 VLLFGWLDUCACKQ-UHFFFAOYSA-N 303.240 2.516 0 50 DFAA Cc1ccc2[nH]c(CN[C@H](C)Cc3cccnc3)cc(=O)c2c1 91680434 XRYBKBKWVDVHGK-CQSZACIVSA-N 307.397 2.952 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)ccn1 291340122 WLGOABZJNUYFQQ-HXUWFJFHSA-N 324.424 2.847 0 50 DFAA Cc1ccc(CCNC(=O)c2cccc(Cn3cccn3)c2)o1 92097315 BFYWMTRTILNRJE-UHFFFAOYSA-N 309.369 2.805 0 50 DFAA O=C(CN1CCN2CCC[C@@H]2C1)Nc1cccc2ccccc12 22752648 OVSPCMSKANEODD-MRXNPFEDSA-N 309.413 2.558 0 50 DFAA CCc1nc(C)sc1-c1nc2c([nH]1)CC(C)(C)CNC2=O 95529078 ZWFIGQLSHXZROJ-UHFFFAOYSA-N 304.419 2.716 0 50 DFAA Oc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)[nH]n2)cc1 95360644 IEUMZXHIMVHGAZ-UHFFFAOYSA-N 305.297 2.894 0 50 DFAA COc1ccc(OCCCN2CCC[C@@H]2c2nc(C)n[nH]2)cc1 240517136 NVKJQKJNNMNGIX-MRXNPFEDSA-N 316.405 2.728 0 50 DFAA Cc1ccc(C(=O)NCCc2nnc(C(F)(F)F)s2)s1 244626574 FOEMFINWUGRYDH-UHFFFAOYSA-N 321.349 2.899 0 50 DFAA Cc1nn(C(C)C)cc1C(=O)N1Cc2ccc(C(=O)O)cc2C1 621558609 LNGGYCOCZFTAQJ-UHFFFAOYSA-N 313.357 2.627 0 50 DFAA CC[C@H](NC(=O)c1ccc(C)n1C(F)F)c1ncnn1CC 534585882 WVFZMRVVKXQFTD-JTQLQIEISA-N 311.336 2.684 0 50 DFAA Cc1nc2cc(NC(=O)[C@H]3CC34CCNCC4)ccc2s1 299785537 UKNNBWSRGAVZHI-GFCCVEGCSA-N 301.415 2.933 0 50 DFAA O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H](O)CC1 294767774 JKVZJFBLLKBZIU-OAHLLOKOSA-N 316.426 2.726 0 50 DFAA O=C(CCCn1cccn1)N1CC(Oc2cccc(Cl)c2)C1 299788750 WMDYDFHWUYZTGX-UHFFFAOYSA-N 319.792 2.607 0 50 DFAA Cc1csc([C@H](OC(=O)c2[nH]cnc2C)C(F)(F)F)n1 685942358 QIJSLUPAMZBCEW-QMMMGPOBSA-N 305.281 2.943 0 50 DFAA CCc1nccn1CCC(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 952981870 YTWACEBJYCMMPN-UHFFFAOYSA-N 324.388 2.568 0 50 DFAA CC(C)(c1ccc(O)cc1)c1ccc(OS(=O)(=O)O)cc1 71773521 DOJJVTGTRZSDLJ-UHFFFAOYSA-N 308.355 2.900 0 50 DFAA in-vitro Nc1ncnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1Cl 302031301 BZPIZGALTUFHMH-SNVBAGLBSA-N 318.764 2.782 0 50 DFAA C[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)O)C1)C(F)(F)F 630158039 QNFXFCVSMFQBPL-NXEZZACHSA-N 309.328 2.924 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2CC[C@@H](OC)C(C)(C)C2)c1 634692447 BJSYHBITHZYTOK-CABCVRRESA-N 307.390 2.568 0 50 DFAA O=C(NCC1(CCO)CC1)c1ccnc(OC2CCCCC2)c1 188055723 PDAFCYOYCZAZLI-UHFFFAOYSA-N 318.417 2.686 0 50 DFAA COc1cccc(CNc2nnc(Cc3ccccc3F)o2)n1 170611022 FJDPGEMBONCMNE-UHFFFAOYSA-N 314.320 2.815 0 50 DFAA CC[C@H](NC(=O)NCc1ccc2ncccc2c1)[C@@H]1CCCO1 194276229 RXYJCGMQXSQMRV-RDJZCZTQSA-N 313.401 2.992 0 50 DFAA NC[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1Br 226279971 JAIAHIKTCOISHR-VIFPVBQESA-N 317.614 2.666 0 50 DFAA CCCN1CCC(CCNc2nc(N)nc(C)c2Cl)CC1 1529142046 DDCISVWLYXFFKW-UHFFFAOYSA-N 311.861 2.945 0 50 DFAA CN(C)Cc1cccc(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1 1704345555 ZNPCMUQBWSDDMC-IEBWSBKVSA-N 316.445 2.515 0 50 DFAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)cc1 463925 IZOJZQJMPZKKGP-HNNXBMFYSA-N 317.458 2.656 0 50 DFAA OC[C@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 12589038 NBDIFIUVSWJKSI-NSHDSACASA-N 307.781 2.594 0 50 DFAA COc1cc(F)ccc1CN[C@H]1COc2c(cccc2OC)C1 14965179 ZJQLXARVNWESIH-OAHLLOKOSA-N 317.360 2.936 0 50 DFAA O=S(=O)(Cc1ccc(F)cc1)N1CCc2ccccc2C1 16579688 GTLQBLHCUUZLGP-UHFFFAOYSA-N 305.374 2.714 0 50 DFAA CN(C)CCN(C)[C@@H]1CCCN(Cc2ccccc2Cl)C1 19225021 UIZGRCIGJJHKOT-MRXNPFEDSA-N 309.885 2.798 0 50 DFAA O=C1C[C@H]2CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2N1 1857677389 ZMIDLAAXQDFDIK-QFBILLFUSA-N 304.393 2.578 0 50 DFAA Cc1noc([C@@H](N[C@@H](C)CC2CCOCC2)C2CCOCC2)n1 328634895 ULKZCRKODBYXKW-LRDDRELGSA-N 323.437 2.641 0 50 DFAA Cc1cccc(C)c1OCCNC(=O)N[C@@H]1CCO[C@H](C)C1 332641193 VCRRSGIPFDOPHT-HUUCEWRRSA-N 306.406 2.549 0 50 DFAA Cc1ccc(NC(=O)CCc2nc(C(C)C)no2)cc1C(=O)O 236667298 HUTNTLREMPWCIS-UHFFFAOYSA-N 317.345 2.771 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CCC(C(=O)O)CC1 237184619 JOEQDNJDOOFPTN-LBPRGKRZSA-N 305.374 2.512 0 50 DFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(F)c2Cl)C1 379228971 RYDVKVRBSCZABX-XCBNKYQSSA-N 324.705 2.973 0 50 DFAA O=C(c1ccnc(N2CCCC2)n1)N1CC[C@H](c2ccccc2)C1 265817898 ZZTOKZNOZUZEDP-INIZCTEOSA-N 322.412 2.707 0 50 DFAA CN(C)C(=O)c1cnc(N[C@H]2CCC[C@H](N(C)C)C2)c(Cl)c1 267234423 GDWBLXAIAXTEBY-STQMWFEESA-N 324.856 2.722 0 50 DFAA O=C(NC[C@H]1CCC[C@@H]1O)c1cccc(Nc2nccs2)c1 822332095 DGZBYQNIVVCPBX-OCCSQVGLSA-N 317.414 2.778 0 50 DFAA Cc1csc([C@H](C)NC(=O)c2cc(C(F)F)n(C)n2)n1 931750280 OQBXEMJHCMSJSB-ZETCQYMHSA-N 300.334 2.614 0 50 DFAA Cc1ccc([C@H](C)C(=O)N2CCC(c3ncon3)CC2)s1 1875284238 RVBJPHIVMLCEOU-NSHDSACASA-N 305.403 2.949 0 50 DFAA C[C@H](NC(=O)C(C)(C)C(=O)O)c1ccccc1OC(F)(F)F 1875300683 NMWIYMPFFXINOL-QMMMGPOBSA-N 319.279 2.873 0 50 DFAA COc1cccc([C@@H](CNC(=O)[C@H]2CC[C@@H]3CC[C@@H]32)N(C)C)c1 1875310037 ANPRHQLTHQLJFR-XDKFSHSGSA-N 316.445 2.850 0 50 DFAA COCc1ccccc1CNC(=O)[C@@H]1CCCO[C@H]1C(C)C 886056944 XSMYXGGKLFDELF-SJORKVTESA-N 305.418 2.900 0 50 DFAA CCOC(=O)c1[nH]c(C2CCN(c3nccs3)CC2)nc1C 1775985592 IMBCDWIJMNRCMX-UHFFFAOYSA-N 320.418 2.735 0 50 DFAA O=S(=O)(c1ccc(C2CC2)cc1)N1CCc2ccncc2C1 1190488753 DWZHUXDMOGIMGW-UHFFFAOYSA-N 314.410 2.706 0 50 DFAA Cc1cc(C2CN(C(=O)Cc3c[nH]c4c(C)cccc34)C2)no1 2325791299 LMOWFPMUXPQQBP-UHFFFAOYSA-N 309.369 2.941 0 50 DFAA COc1cc([C@H](C)O)cc(OC)c1OC[C@H](C)N1CCCC1 2325804926 CWMYGTAEHGRYCR-STQMWFEESA-N 309.406 2.620 0 50 DFAA CN(C)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 341416 PAPLNMRWJHKEHO-UHFFFAOYSA-N 305.428 2.941 0 50 DFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ncc(C3CC3)o2)C1 340728780 PGYDTOBDPZNLRW-GJZGRUSLSA-N 302.349 2.999 0 50 DFAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1c[nH]nc1C1CCCCC1 2356165159 WEWOKDRDLLMJMT-BETUJISGSA-N 319.405 2.831 0 50 DFAA COc1ccc(CN[C@H]2CCCOC2)cc1Br 109545005 IEBDOEMRVBHABE-NSHDSACASA-N 300.196 2.726 0 50 DFAA CON(C)C(=O)c1ccccc1OCCOc1ccccc1 10154910 AQAVKUDVHFLYGB-UHFFFAOYSA-N 301.342 2.778 0 50 DFAA COC(=O)c1oc(COc2ccc3c(c2)NC(=O)CC3)cc1C 225494001 JWFWRRAPMBZIDU-UHFFFAOYSA-N 315.325 2.838 0 50 DFAA O=C(c1ccc(N2CCCCC2)cc1)N1CCN2CCC[C@H]2C1 174199659 GTHUZCWPDMVKPS-SFHVURJKSA-N 313.445 2.597 0 50 DFAA O=C(O)c1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 314157764 XANPEMQQWKNNMP-CQSZACIVSA-N 317.728 2.980 0 50 DFAA O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nc(C3CC3)no2)C1 121122913 VNAFCTNMQSFEST-FZMZJTMJSA-N 321.327 2.533 0 50 DFAA O=S(=O)(c1ccc(-c2ccno2)s1)N1CCCCCC1 32498092 VBYIORQFBNWAEV-UHFFFAOYSA-N 312.416 2.968 0 50 DFAA Cc1nccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1Cl 121453259 GBTXMTOVCHNCRL-DZGCQCFKSA-N 317.776 2.823 0 50 DFAA COc1nc(C)c(C(=O)NCc2cc(-c3ccco3)on2)s1 71388660 HKYHRMRTEDETOB-UHFFFAOYSA-N 319.342 2.638 0 50 DFAA COC[C@@H](C)Nc1cc(-c2ccccc2F)nc2ccnn12 72424001 RVUZSWYWFDYZIF-LLVKDONJSA-N 300.337 2.982 0 50 DFAA CC(=O)c1cc(CC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cs1 77556193 AWNIMJQOJGCNPR-ZDUSSCGKSA-N 317.414 2.623 0 50 DFAA COCc1ncc(CN2CCC[C@H]2c2ccccc2OC)cn1 216432423 UGUBDFQWBKBEGR-INIZCTEOSA-N 313.401 2.969 0 50 DFAA Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2ccccc21 128040263 UUYXCWNTVFKNBQ-IFXJQAMLSA-N 312.413 2.946 0 50 DFAA biogenic COc1cc(Br)c(OC)c(Br)c1N 36532918 IIKJYGNNTZIUME-UHFFFAOYSA-N 310.973 2.811 0 50 DFAA Nc1c(Cl)cc([C@H](O)CNC2CCC(O)CC2)cc1Cl 38600284 DKFLKXDTRUWFDL-SRHKJQAYSA-N 319.232 2.502 0 50 DFAA in-vitro Nc1c(C(=O)O)cc(Br)c(F)c1Br 31829460 FCDUVODEYZAMHX-UHFFFAOYSA-N 312.920 2.631 0 50 DFAA O=C(N[C@@H]1CCCN(C2CCCCCC2)C1)c1cccnc1 76910790 DVDRJDBLTKBLOX-MRXNPFEDSA-N 301.434 2.999 0 50 DFAA O=Cc1cc(Br)cc(I)c1 71609328 XZXJUWDREBPKRI-UHFFFAOYSA-N 310.916 2.866 0 50 DFAA CC(=O)NCc1ccc([C@H]2CCCN2c2ncc(C)c(C)n2)o1 372528826 IIWPTZDIPRYFQO-OAHLLOKOSA-N 314.389 2.664 0 50 DFAA CO[C@H](CNC(=O)c1ccncc1F)c1cccc(Cl)c1 173547290 LWAOGNAVHPXNGW-CQSZACIVSA-N 308.740 2.992 0 50 DFAA O=C(NCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 225592236 BHJUASNSOCANDM-NZBPQXDJSA-N 319.788 2.869 0 50 DFAA O=C(Cc1cccs1)N(Cc1ccncc1)C[C@H]1CCCO1 220429088 MMZFIBQBHBZFQG-OAHLLOKOSA-N 316.426 2.893 0 50 DFAA CCN1CCC[C@H](N2CCc3[nH]nc(-c4ccccc4)c3C2)C1 19795171 OFZVYOTUTWXTCB-INIZCTEOSA-N 310.445 2.919 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)N2CCc3c(C)cccc3C2)n[nH]1 177890576 WOJJPAASCIOVFA-ZDUSSCGKSA-N 312.417 2.725 0 50 DFAA C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)O 21991635 FDESQZBVTKLIQN-MLGOENBGSA-N 317.429 2.984 0 50 DFAA in-vitro CCCn1nc(C2CCOCC2)nc1-c1ccnc(NC)c1 97436966 QUURLWAZJMTLCB-UHFFFAOYSA-N 301.394 2.686 0 50 DFAA COc1ccc(-c2cc(-c3nc(CSC)no3)[nH]n2)cc1 95386381 KHVIRJFMZKGCSG-UHFFFAOYSA-N 302.359 2.998 0 50 DFAA Cc1ccc(CN2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)s1 91602719 MRABTFDFGNKWTH-HUUCEWRRSA-N 314.458 2.947 0 50 DFAA Cc1csc(CCCNC(=O)C[C@H](C)n2ccnc2C)n1 244574962 CUJUSSTZKOBLOL-LBPRGKRZSA-N 306.435 2.657 0 50 DFAA CCCC[C@H](NS(=O)(=O)c1cccnc1)c1cccnc1 534592845 REWMYKOSBJTJTE-HNNXBMFYSA-N 305.403 2.686 0 50 DFAA Cc1ccc2[nH]c(C(=O)N[C@H](C)c3nc(C4CC4)no3)nc2c1 299792842 GWYFUCNDWJTHDY-SECBINFHSA-N 311.345 2.623 0 50 DFAA COC1CCN(C(=O)Nc2cc(C)nn2C2CCCC2)CC1 299777781 HUMXZMBWLQKMAW-UHFFFAOYSA-N 306.410 2.949 0 50 DFAA Cc1nc(C(=O)NCc2ccc3c(c2)nc(C)n3C)cs1 670471156 VZTCMVKGAYTPCY-UHFFFAOYSA-N 300.387 2.577 0 50 DFAA CCOc1ccc(OCc2n[nH]c(CCc3ccncc3)n2)cc1 670439652 UWARFKHULIUSBT-UHFFFAOYSA-N 324.384 2.963 0 50 DFAA O=C(NCCn1ccnn1)c1cccc(-c2cccc(F)c2)c1 952973851 GOTFGDJUBQUBSG-UHFFFAOYSA-N 310.332 2.514 0 50 DFAA OCC1(CCNc2ncc(Br)c3cccnc23)CC1 894094589 BEIXDLHSBZHGOW-UHFFFAOYSA-N 322.206 2.967 0 50 DFAA O=C1[C@@H](Nc2nc(C3CC3)ns2)CCN1c1ccccc1F 301495961 BSRJKPNLDDQXKE-NSHDSACASA-N 318.377 2.772 0 50 DFAA CC(C)c1cccc(CNC(=O)N(C)CCc2cnccn2)c1 408514122 JXYRQIHVCZHXNZ-UHFFFAOYSA-N 312.417 2.984 0 50 DFAA CCCN(Cc1nc(C(=O)OC)co1)[C@@H]1C[C@H](OCC)C1(C)C 408519489 GVZGYEMOFXMCCH-KGLIPLIRSA-N 324.421 2.877 0 50 DFAA OCC[C@@H](NC1CCN(c2ccccc2)CC1)c1ccco1 186555491 KPWXLXFLWTZXBR-QGZVFWFLSA-N 300.402 2.962 0 50 DFAA Cc1ccc2c(c1)nc(CNC(=O)NCC1CCCC1)n2C 274396233 LVZKGHHJUJJYSJ-UHFFFAOYSA-N 300.406 2.871 0 50 DFAA COCCOc1cccc(C(=O)N[C@H](c2ncc[nH]2)C(C)C)c1 276534062 DJCYAWMFYNVZEN-HNNXBMFYSA-N 317.389 2.562 0 50 DFAA CCOc1ccc([C@H](NC(=O)[C@@H]2CCNC2)c2ccccc2)cc1 170048754 PELGACCTPYKVED-IEBWSBKVSA-N 324.424 2.900 0 50 DFAA COC1(C)CN(c2ccc([S@](=N)(=O)C(F)(F)F)cc2)C1 585092913 UFIHUDCGKKKIKD-FQEVSTJZSA-N 308.325 2.837 0 50 DFAA Cc1ccncc1CC(=O)N1CCO[C@](C)(c2ccccc2)C1 585107107 YYWKWWKUMXFCLI-IBGZPJMESA-N 310.397 2.707 0 50 DFAA Cc1ccnc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1 683022992 NFADMXNTGXSQHP-UHFFFAOYSA-N 311.433 2.626 0 50 DFAA O=C(Nc1ccc2sncc2c1)N1CCN(CC2CC2)CC1 194230565 IAEHYGFKRPHWMJ-UHFFFAOYSA-N 316.430 2.856 0 50 DFAA C[C@@H](CC(=O)Nc1cccc([C@@H](C)C(=O)O)c1)n1ccnc1 652072940 PTDNFVCAILYROR-NWDGAFQWSA-N 301.346 2.661 0 50 DFAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)nc1 746248007 FRUQAESMIABVRN-UHFFFAOYSA-N 304.712 2.680 0 50 DFAA COC[C@](C)(NS(=O)(=O)/C=C/c1ccccc1)C(F)(F)F 775208176 LFHFEBKCYANDJY-BCPZQOPPSA-N 323.336 2.544 0 50 DFAA O=C(COCc1ccccc1Cl)N1CCC[C@@H]1c1ncon1 1615576000 JBPPTIHILQZVNR-CYBMUJFWSA-N 321.764 2.603 0 50 DFAA C[C@@H](CC(F)(F)F)N1CCCN(C(=O)c2ccco2)CC1 1255656521 WTIQLLBUKFILKJ-NSHDSACASA-N 304.312 2.768 0 50 DFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)on2)cc1 12948032 DCUHFEBSCNBMET-HNNXBMFYSA-N 322.386 2.517 0 50 DFAA CCS(=O)(=O)N1CCC[C@H](CCc2cccc(OC)c2)C1 14979131 FTHOCEYIDGVEQZ-OAHLLOKOSA-N 311.447 2.690 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 18241092 HATHUEWNBMABDW-DFBGVHRSSA-N 315.369 2.789 0 50 DFAA CN(Cc1nccn1C)[C@H]1CCCN(Cc2ccccc2F)C1 19224983 UXDHRIJIZAJXAE-INIZCTEOSA-N 316.424 2.656 0 50 DFAA Cc1nc(N2CCC(OCc3cccnc3)CC2)c2[nH]ccc2n1 1857687932 MAUMCOKFTOTEGG-UHFFFAOYSA-N 323.400 2.847 0 50 DFAA CN(C)c1ccc([C@H]2CCCN2C(=O)c2ccoc2Cl)nn1 643888376 HLRCXBAMXOGVIR-GFCCVEGCSA-N 320.780 2.766 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2nc3cnccc3s2)CCCO1 615419930 NRPHBWCHTXOYRS-LBPRGKRZSA-N 305.403 2.578 0 50 DFAA CC[C@H](C)OCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 225596930 QBGYGQHBMKXIFO-QWHCGFSZSA-N 315.373 2.905 0 50 DFAA O=C(NCCO)c1cccc(NCc2sccc2Cl)c1 225611464 KHMYGXKVCWYSEG-UHFFFAOYSA-N 310.806 2.736 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCO[C@@H](c2ccccc2F)C1 122585115 YISNPIOIOQUBAA-CQSZACIVSA-N 319.311 2.965 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCO[C@H](c2ccccc2F)C1 122584838 YISNPIOIOQUBAA-AWEZNQCLSA-N 319.311 2.965 0 50 DFAA O=C(NC[C@@H]1CCc2ccccc2C1)N[C@@H]1C[C@@H]2OCCC[C@@H]21 252585711 KKSSEPVQGSVYHP-PILAGYSTSA-N 314.429 2.658 0 50 DFAA COC(CN1CCCC[C@H]1c1nc2ccccc2n1C)OC 584908810 BUKZREMNVOFYCO-HNNXBMFYSA-N 303.406 2.719 0 50 DFAA CC(C)c1nocc1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 902017286 PQYWFNWURCJILQ-JSGCOSHPSA-N 314.341 2.841 0 50 DFAA CCc1ccccc1C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704330870 LKOXDJHLKVBGNT-SFHVURJKSA-N 317.429 2.785 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1CC(=O)O 1857779375 KXMCMLWTHNDTSG-AXFHLTTASA-N 301.383 2.558 0 50 DFAA C=CC(=O)N(Cc1cc(C)c(C)cc1C)C[C@H](C)S(C)(=O)=O 1875382275 WZUSMLPFOHNTBV-HNNXBMFYSA-N 323.458 2.560 0 50 DFAA OC[C@H]1C=C[C@@H](Nc2ncc(Br)c3cccnc23)C1 892785513 GHCMEXBMIZOQRL-VHSXEESVSA-N 320.190 2.741 0 50 DFAA O=C1C[C@@H](CNc2nccs2)[C@H](c2cccnc2)N1C1CC1 894336481 UVFQJLDFCHALNY-WFASDCNBSA-N 314.414 2.702 0 50 DFAA O=C(NC[C@H](O)C1CC1)Nc1ccc(Cl)c(C(F)(F)F)n1 1775992357 LPPQTOPIMAOHKV-QMMMGPOBSA-N 323.702 2.646 0 50 DFAA C[C@H](NC(=O)Nc1cnn(C)c1)c1cc(F)ccc1N(C)C 1775993766 KAQCXZWEZIRUHM-JTQLQIEISA-N 305.357 2.508 0 50 DFAA Cc1cnc(Nc2cc(F)cc3c2NC(=O)CC3)nc1N(C)C 2100548197 WZEMVFKFMNSSJN-UHFFFAOYSA-N 315.352 2.618 0 50 DFAA Cc1cn(C)nc1CN1CCC[C@H]1c1ccc(C(=O)O)s1 2325790307 CXOPRNLRJDHQRU-LBPRGKRZSA-N 305.403 2.825 0 50 DFAA Cc1[nH][nH]c2nccc(=NC[C@@H]3CCN(Cc4ccccc4)C3)c1-2 2325858481 PHYRGGUVXWFPFV-INIZCTEOSA-N 321.428 2.574 0 50 DFAA O=C(CSc1nnc(-c2ccco2)o1)NCc1ccccc1 51170 VFIQSWHUBBLMQC-UHFFFAOYSA-N 315.354 2.738 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2F)N1 186386 KQMMJWLHUVQLLA-HZPDHXFCSA-N 310.328 2.995 0 50 DFAA biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)NC(=O)N1 333005 FLLOHPIDVAAXKJ-INIZCTEOSA-N 323.352 2.659 0 50 DFAA CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)CC 353599 QJCGIXVMQIHNNV-UHFFFAOYSA-N 313.357 2.977 0 50 DFAA O=C(NCc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1 416617 CWMJPRGCLXYDLV-UHFFFAOYSA-N 321.336 2.857 0 50 DFAA Brc1ccccc1OCCOCCN1CCCC1 2466257 LUIFRAMOUNYECM-UHFFFAOYSA-N 314.223 2.940 0 50 DFAA O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)[C@H]1CSCN1 225463804 BPUOIBYNGFCIQG-FBIMIBRVSA-N 317.241 2.628 0 50 DFAA Cc1cc(-c2nn3c(CCc4ccccc4)nnc3s2)no1 9576397 LEUDOKRCLDXEIN-UHFFFAOYSA-N 311.370 2.934 0 50 DFAA CC[C@@H](CO)N(Cc1cccs1)C(=O)c1cccnc1NC 55088494 BTVLBSZSYPPZEC-LBPRGKRZSA-N 319.430 2.598 0 50 DFAA C[C@H](C(=O)NC[C@H]1CCCO1)N1[C@H]2CC[C@H]1c1ccccc12 245289649 DGNHKXUSTGUOKB-OMNBBPDLSA-N 300.402 2.562 0 50 DFAA Cc1ccc(CN(CC(C)C)C(=O)[C@@H]2CCCN2C(N)=O)cc1 55281380 UWKZHRUBROOWNE-INIZCTEOSA-N 317.433 2.523 0 50 DFAA CCOc1ncccc1C(=O)N1CCOc2ccc(F)cc2C1 347824139 KDPTXWIEBQBPPO-UHFFFAOYSA-N 316.332 2.654 0 50 DFAA COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2F)cc1 20251824 NECMMAGZFWLVKK-NSHDSACASA-N 316.332 2.591 0 50 DFAA CCc1nc(C)c(C(=O)N2CC[C@@](O)(c3ccccc3)C2)s1 65398143 INQOUDHNXIWMBH-KRWDZBQOSA-N 316.426 2.748 0 50 DFAA C[C@H](NC(=O)Cc1ccccn1)c1cnn(-c2ccccc2F)c1 67785650 LWFXOSZNOXQVMG-ZDUSSCGKSA-N 324.359 2.826 0 50 DFAA CC[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccnn1C 67755215 YBSPIXBNCOODNX-KRWDZBQOSA-N 313.449 2.520 0 50 DFAA O=C(CCn1sc2ccccc2c1=O)Nc1ccc(O)cc1 36360640 AIXYUGMJMGAMQR-UHFFFAOYSA-N 314.366 2.797 0 50 DFAA Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2C[C@H]2c2cccnc2)o1 252476879 DCVNCOBWQBEEFD-JYJNAYRXSA-N 312.369 2.687 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2cccc(O)c2)C1 6738281 HVBPZCZFRYMTSZ-MRXNPFEDSA-N 312.325 2.533 0 50 DFAA Cc1cnn([C@H](C)[C@@H](C)NC[C@@H](O)c2ccc(F)cc2F)c1 229569234 LZNLXDCYOJDWRL-XHBSWPGZSA-N 309.360 2.742 0 50 DFAA CCn1ccc2ccc(CN3CCC[C@@](O)(CN(C)C)C3)cc21 72428177 VNICUNHAXDHKMB-LJQANCHMSA-N 315.461 2.550 0 50 DFAA FC(F)(F)c1cccnc1CNC[C@H]1CCc2nccn2C1 328648054 UIWOBWKVVZMKLP-LLVKDONJSA-N 310.323 2.649 0 50 DFAA Cn1ccc2ccn(Cc3csc([C@@H]4CCCO4)n3)c(=O)c21 153276184 VVVJBIRIMLMRTO-ZDUSSCGKSA-N 315.398 2.696 0 50 DFAA CC(C)c1cc(N2CCOC[C@@H]2C[C@@H](C)O)nc(C(C)C)n1 129952703 NKDALLLAPPCPID-KGLIPLIRSA-N 307.438 2.700 0 50 DFAA Cc1ncccc1C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 171818838 UAAJFNUWNCDZQM-AWEZNQCLSA-N 313.405 2.582 0 50 DFAA Cc1cnc(C)c(N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)n1 72158290 IWUIKYPNHCSWAA-PKOBYXMFSA-N 311.429 2.913 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1N 237169855 DQGZKULHGYTRTM-NEPJUHHUSA-N 316.323 2.671 0 50 DFAA CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCCN1CCCC[C@H]1C 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2.844 0 50 DFAA COc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@H]4CCC[C@H]43)n2)cc1 250122792 VPZCYOQQUCGJJR-QLPKVWCKSA-N 311.385 2.925 0 50 DFAA CCOC(=O)CC[C@@H]1CCCN(Cc2noc(C(C)C)n2)C1 161850715 RHLBNLNPZORPIO-ZDUSSCGKSA-N 309.410 2.748 0 50 DFAA O=C(O)[C@]12C[C@H]1CCCN2Cc1csc(-c2ccccn2)n1 903938318 MCJSCGPVOFOWPE-BZNIZROVSA-N 315.398 2.644 0 50 DFAA CCO[C@H]1CCN(c2nnc(-c3cc(C)cs3)n2CC)C1 908837733 HUJNLDMZNBWWDT-LBPRGKRZSA-N 306.435 2.950 0 50 DFAA O[C@H](CN[C@@H]1CCCOc2cc(F)ccc21)c1ccc(F)cn1 819211123 STXWJRKTPCGFEP-GDBMZVCRSA-N 320.339 2.897 0 50 DFAA COc1nccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)n1 822013372 ZQBBVAVZMBUNIV-CQSZACIVSA-N 319.311 2.741 0 50 DFAA O=C(NC[C@]12CCC[C@H]1OCC2)c1cc2c(F)cccc2[nH]1 830798283 MVIITABQPUEVSY-NVXWUHKLSA-N 302.349 2.996 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)n1 932840554 GEONEJUNMVNGQW-NSHDSACASA-N 319.365 2.819 0 50 DFAA CC(C)(C)C[C@@H](O)CN(C=O)Cc1ccc(-n2cccn2)cc1 1875325901 XJALKLJOCZJYLR-QGZVFWFLSA-N 315.417 2.628 0 50 DFAA CC1=Nc2ccccc2C12CCN(C(=O)/C=C/CN(C)C)CC2 1875379054 LCRYKEHRTPMPNZ-RMKNXTFCSA-N 311.429 2.771 0 50 DFAA CC(C)O[C@H](CN(C)C(=O)/C=C/CN(C)C)c1ccccc1 1875378674 IYVKVTLPZFXYQJ-XLNAKTSKSA-N 304.434 2.729 0 50 DFAA Cn1c(NC(=O)CCCCCCC(=O)O)nc2ccccc21 1875324872 MLCZGHKIQRFPPU-UHFFFAOYSA-N 303.362 2.937 0 50 DFAA Cc1occc1CN1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886077832 JOYVGMKXXQKZEX-SFHVURJKSA-N 315.417 2.698 0 50 DFAA COc1ccc([C@@H](C)[C@H](C)NC(=O)Cc2c(C)n[nH]c2C)cc1 888093250 WCSMEHJBBWVYDP-RYUDHWBXSA-N 315.417 2.886 0 50 DFAA Clc1nccn1C[C@@H]1CN(Cc2ccccc2)CCCO1 1775990443 GCDUOKFCGYEDPV-HNNXBMFYSA-N 305.809 2.828 0 50 DFAA O=C(c1cc2ccncc2c(O)n1)N1CCC2(CC1)CC2(F)F 1775989816 SGOMWHNVRHNSOY-UHFFFAOYSA-N 319.311 2.597 0 50 DFAA CN(C)C(=O)c1ccc(-c2ncnn2CC2CC2)c(Cl)c1 2325773439 YRODWRGHNUBXHU-UHFFFAOYSA-N 304.781 2.710 0 50 DFAA Cn1c(Cl)nnc1-c1ccc(-c2ccc3nncn3c2)cc1 2325825012 ZEHWVFORLYROCA-UHFFFAOYSA-N 310.748 2.845 0 50 DFAA CC(C)(C)c1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)no1 245289924 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QTYZYBFPYDEBII-UHFFFAOYSA-N 324.424 2.913 0 50 DFAA Cc1coc(-c2cc(NC(=O)[C@@H]3CSCN3)ccc2C)n1 121738855 TVUDGYVFYZGYHT-ZDUSSCGKSA-N 303.387 2.559 0 50 DFAA CC[C@H]1CN(C2CCOCC2)CCC(=O)N1Cc1ccccc1 71750487 DRBCVXISKSVKCB-KRWDZBQOSA-N 316.445 2.679 0 50 DFAA Cc1sc2nc([C@@H](C)N(C)Cc3cc[nH]n3)nc(O)c2c1C 329265424 CHZLZIZJWDSDEN-SECBINFHSA-N 317.418 2.930 0 50 DFAA COCC(=O)N1CCCc2c(NC(=O)OC(C)(C)C)cccc21 152334961 VXAJTZCDMJUAKK-UHFFFAOYSA-N 320.389 2.959 0 50 DFAA CCc1nccc(CN2CCC[C@H](OCc3cccnc3)C2)n1 215910902 QEZHQVPAWKNUCZ-KRWDZBQOSA-N 312.417 2.615 0 50 DFAA CS(=O)(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32594051 PEPGFNDYJYJQQR-UHFFFAOYSA-N 315.354 2.775 0 50 DFAA Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(C)n1 77321383 MBDXMALUPIKVGO-SOLBZPMBSA-N 311.429 2.559 0 50 DFAA Cc1c(Cn2ccnc2-c2cc(CN(C)C)cs2)cnn1C 71315221 SRJLOSFEXZXRDJ-UHFFFAOYSA-N 315.446 2.763 0 50 DFAA CCc1c(C)nn(CC(=O)N[C@@H](C)c2ccc(O)c(F)c2)c1C 71524474 ZPRFFRCCALIKHW-JTQLQIEISA-N 319.380 2.784 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ns1 262673306 QIJDFTZQAKDEEC-CYBMUJFWSA-N 316.382 2.889 0 50 DFAA CCCc1nccn1Cc1nc(-c2ccc3c(c2)OCO3)no1 71761385 ZUQILRQQHCUIFO-UHFFFAOYSA-N 312.329 2.663 0 50 DFAA COc1ccccc1-c1ccc(CN2CC(=O)N[C@H](C)C2)cc1 449525709 UAWNNMBANZAWKA-CQSZACIVSA-N 310.397 2.683 0 50 DFAA COc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1C 41097095 NDVHXLHBALZMHV-UHFFFAOYSA-N 316.382 2.899 0 50 DFAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccccc2)on1 227155978 GHPLCUVRVHUARY-UHFFFAOYSA-N 324.384 2.964 0 50 DFAA COc1cc(CNC(=O)c2ccc(C)n2C)c2ccccc2n1 172854784 MINFWJJVJAWHAW-UHFFFAOYSA-N 309.369 2.820 0 50 DFAA COCc1ncsc1C(=O)NC(C)(C)c1nc(C)cs1 283316016 AXXRGXWPPMICMR-UHFFFAOYSA-N 311.432 2.720 0 50 DFAA Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C(C)C)c2ccccc21 285049870 IUKWPRAOUWOFEM-CQSZACIVSA-N 319.430 2.677 0 50 DFAA Cc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n1C1CC1 285470406 RRHFUQWMWZSNCE-UONOGXRCSA-N 300.337 2.803 0 50 DFAA COc1ccc(CCC(=O)NC[C@@H]2CSCCS2)cc1 176655340 KNMXVBYSHCIABP-CQSZACIVSA-N 311.472 2.593 0 50 DFAA O=C(NCCc1cc[nH]n1)[C@@]1(c2ccccc2)CC12CCCC2 426567186 ZMJRGQBCTLJIKT-IBGZPJMESA-N 309.413 2.971 0 50 DFAA CCOC(=O)c1cn(C2CC2)c2nc(Cl)c(F)cc2c1=O 21301131 RWCZOVMOKFTUAD-UHFFFAOYSA-N 310.712 2.701 0 50 DFAA in-vitro O=C(N1CCC([C@@H]2CCNC2)CC1)C1(Cc2ccccc2)CC1 290258963 XHTUGCHVNWUZQM-GOSISDBHSA-N 312.457 2.857 0 50 DFAA C[C@@](O)(CCCO)CNC(=O)Nc1ccc(-c2ccco2)cc1 97711743 LYCZMDMBAGXHHP-QGZVFWFLSA-N 318.373 2.592 0 50 DFAA COCC[C@]1(CO)CCCN(Cc2nc3c(s2)CCCC3)C1 91636130 FYONWEBIUAYZIC-QGZVFWFLSA-N 324.490 2.633 0 50 DFAA CC(C)(C)N1C[C@@H](C(=O)NCCCc2ccc(F)cc2)CC1=O 91625840 YRNGSHJJKYPPBZ-AWEZNQCLSA-N 320.408 2.522 0 50 DFAA COc1ccc(OS(=O)(=O)C[C@@H]2CCCC2(F)F)cc1 295436703 ZRXQEDGTGONBMY-JTQLQIEISA-N 306.330 2.839 0 50 DFAA OC[C@@]1(NCc2ccc(OCc3ccccc3)cc2)CCOC1 184179905 CCLAIEKRIOATLH-IBGZPJMESA-N 313.397 2.507 0 50 DFAA CCc1ccc2nccc(N3CCS(=O)(=O)C[C@H](C)C3)c2c1 296754623 KXKKEGAHMFMCMG-CYBMUJFWSA-N 318.442 2.668 0 50 DFAA CCc1nccn1CC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 252499120 RVSURSVXWNNSDJ-CQSZACIVSA-N 316.405 2.921 0 50 DFAA Cc1ccc([C@@H](O)CNC(=O)C2(N3CCCC3)CCCC2)cc1 670467154 XQVZNJQZQQXUTB-KRWDZBQOSA-N 316.445 2.553 0 50 DFAA Cc1nn(-c2ccccc2)cc1C(=O)N(C[C@@H]1CCCN1)C1CC1 186502673 GRVMAHSLOBILPH-HNNXBMFYSA-N 324.428 2.537 0 50 DFAA CCC[C@H]1CCCCN1C(=O)NCc1c(CC)nn(C)c1OC 186702053 HOPJZVDABHMNHW-ZDUSSCGKSA-N 322.453 2.855 0 50 DFAA CC(=O)OC(C)(C)C(=O)N[C@@H]1CCSc2ccc(F)cc21 170601862 ISBNKMGCSLPUOV-GFCCVEGCSA-N 311.378 2.821 0 50 DFAA C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(=O)[nH]1 170617959 VEECORCIHHJYRV-JTQLQIEISA-N 324.302 2.755 0 50 DFAA CC(C)=CCOC(=O)Cc1ccccc1S(=O)(=O)C(F)F 585087081 HLBDABUJMHLHHT-UHFFFAOYSA-N 318.341 2.735 0 50 DFAA CC(C)c1ccc(S(=O)(=O)[C@@H](C)c2nnnn2C2CC2)cc1 195579485 SLQNQEZNNCJEGK-NSHDSACASA-N 320.418 2.666 0 50 DFAA C[C@H](CC(=O)N[C@H]1CCn2cncc21)Cc1cccc(F)c1 585122669 XCKQTEYWHGWJKQ-WFASDCNBSA-N 301.365 2.852 0 50 DFAA COc1cc(OC)nc(NCCn2c(C)cc3ccccc32)n1 1529189570 SALHWVWLXQXERW-UHFFFAOYSA-N 312.373 2.869 0 50 DFAA CN(CCCO)S(=O)(=O)c1sc2ccccc2c1Cl 451516328 YRLWREHNIPRQPB-UHFFFAOYSA-N 319.835 2.558 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(C1CCN(C(=O)C3CC3)CC1)C2 1704335195 ASKKWGYBULBONX-MJGOQNOKSA-N 320.477 2.669 0 50 DFAA COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 5351252 KQUYKLTVQRKWIC-UHFFFAOYSA-N 315.325 2.727 0 50 DFAA Cc1ccccc1CS(=O)(=O)NCCCN1CCC(C)CC1 13669511 WPEPZCQHNZXLAJ-UHFFFAOYSA-N 324.490 2.536 0 50 DFAA Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2C)c(C)c1 16623205 WSPQYSFHSHHTKM-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA COc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)cc1C 19942908 SPQZKZRRCOYVFI-RYUDHWBXSA-N 311.447 2.979 0 50 DFAA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccccc1 2857923 DTESANLGYTUAMU-SFHVURJKSA-N 324.424 2.800 0 50 DFAA CCOc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1 2887893 JMICHKNNJAFNOU-UHFFFAOYSA-N 316.332 2.593 0 50 DFAA CCn1cccc1CN(C)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857529611 MGYXGKYMIWCPNB-NEPJUHHUSA-N 316.405 2.526 0 50 DFAA COc1ccccc1Cn1nc(C)nc1[C@@H]1CCn2nccc2C1 1857667701 UUXUIASYRPQGDG-CQSZACIVSA-N 323.400 2.570 0 50 DFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cnn(CC)c1 1857671870 VAHRZHSFQCYGPM-ZMSDIMECSA-N 305.422 2.599 0 50 DFAA N[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 237979321 YWIKXJPIAYXGBW-LLVKDONJSA-N 317.216 2.712 0 50 DFAA CC[C@@]1(C)COCCN1C(=O)c1cc(-c2ccccc2)no1 330637452 VRZDZFUEZWLXMP-KRWDZBQOSA-N 300.358 2.983 0 50 DFAA COCc1ccccc1NC(=O)c1ccc(-n2cnnc2)cc1 340107840 KCVGBSCOBIITGF-UHFFFAOYSA-N 308.341 2.666 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc2cccnc12 245231843 KDDJXDDCBGIAAL-DDHJSBNISA-N 308.337 2.696 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 132392484 CEDVAXOUBFPERN-HZPDHXFCSA-N 318.417 2.507 0 50 DFAA in-vitro Cc1ccc([C@H](CNC(=O)c2cc(Cl)cn2C)C(=O)O)cc1 345867471 PCIUUDLOFHXWGF-ZDUSSCGKSA-N 320.776 2.585 0 50 DFAA OCCOC1CCN(CCn2ccc3cc(Cl)ccc32)CC1 351710784 UKXVYCJEVJUIPA-UHFFFAOYSA-N 322.836 2.768 0 50 DFAA O=C(O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 21657742 KHJBPAUPZCPFAM-UHFFFAOYSA-N 300.705 2.681 0 50 DFAA in-vitro Cc1nc(CN=c2nc(-c3ccncc3)[nH]c(C)c2C)[nH]c1C 1120873044 BNDFHUABEMNULM-UHFFFAOYSA-N 308.389 2.529 0 50 DFAA COCC1CCC(N[C@@H](C)c2nc(C(F)(F)F)no2)CC1 952993281 UUEVXUBTCGOQDO-IDKOKCKLSA-N 307.316 2.944 0 50 DFAA Cc1nc(S(=O)(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 1875266557 UTRTWGPIBWVGOC-ZCFIWIBFSA-N 320.201 2.955 0 50 DFAA O=C(Nc1cccc(-c2n[nH]c3c2COCC3)c1)N1CCCC1 1875296531 BVZABPWQECOZAO-UHFFFAOYSA-N 312.373 2.777 0 50 DFAA C[C@@H](O)CNC1CC(NC(=O)OC(C)(C)C)(c2ccccc2)C1 1875340566 IRZYNEKPNBITOI-MJJDPTRDSA-N 320.433 2.539 0 50 DFAA CCOCc1cn(C[C@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)nn1 1875324025 YRMPACWKUHIZBM-KBPBESRZSA-N 322.453 2.536 0 50 DFAA Cn1nc(C(=O)NC[C@@H]2CC(C)(C)OC2(C)C)c2c1CCCC2 885834466 KCLJNMXLFVVXSC-LBPRGKRZSA-N 319.449 2.622 0 50 DFAA Cc1nc(-c2cccnc2)[nH]c1C(=O)N1CCS[C@H](C)CC1 1775987382 NTYPENZCWLIFMI-LLVKDONJSA-N 316.430 2.748 0 50 DFAA CC(C)(O)[C@H]1CCCN1C(=O)c1csc(C(F)(F)F)n1 189329917 ZSWZMHPJCSHLQA-MRVPVSSYSA-N 308.325 2.537 0 50 DFAA CCOC(=O)[C@@H]1C(c2ccc(OC)cc2)=NO[C@H]1c1ccco1 6667818 RTYXOYBRPGVAIO-ZBFHGGJFSA-N 315.325 2.943 0 50 DFAA CCc1ccc(OCc2nc(CC3CCNCC3)no2)cc1 843132313 SDDCHLSMBFLETR-UHFFFAOYSA-N 301.390 2.753 0 50 DFAA Cn1cnc2cc(NCc3cnc(C(C)(C)C)[nH]3)ccc2c1=O 2325809225 RUHCRSHPMGYLDL-UHFFFAOYSA-N 311.389 2.566 0 50 DFAA C[C@]1(COC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)COC(=O)N1 861006778 DPCSXCRAMFOYLP-RKVPGOIHSA-N 317.385 2.687 0 50 DFAA CC(C)Cn1ncnc1CN[C@@H](C)c1nc2ccccc2n1C 120403482 QHSPNGZYRZTQEG-ZDUSSCGKSA-N 312.421 2.672 0 50 DFAA COC(=O)C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 310903 QLDFENBFMXEOAZ-HNNXBMFYSA-N 309.321 2.587 0 50 DFAA S=C(Nc1ccc(N2CCOCC2)cc1)NC1CCCC1 613124 FJPYQXKZZNGXPM-UHFFFAOYSA-N 305.447 2.752 0 50 DFAA CSCC[C@H](NC1=NC(C)(C)Cc2ccccc21)C(=O)O 4023671 ZMGKDFXVKGOIRI-ZDUSSCGKSA-N 306.431 2.564 0 50 DFAA biogenic Cc1ccc2cc(CNCc3ccc4c(c3)OCO4)c(=O)[nH]c2c1 4132785 YBBAMZQEZRMBRK-UHFFFAOYSA-N 322.364 2.855 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)O 6692944 DGIGGVANZFKXLS-ZIAGYGMSSA-N 321.373 2.666 0 50 DFAA Cc1ccc(C(=O)NC2CCCCCC2)cc1NS(C)(=O)=O 10313953 ILOPQDUSASHSAR-UHFFFAOYSA-N 324.446 2.819 0 50 DFAA CCOc1ccc(C(=O)CCC(=O)NC[C@H]2CCCO2)cc1C 63857828 PFPZSMMCBQEJQN-OAHLLOKOSA-N 319.401 2.652 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 247564331 RXVQGPUDMJIOMO-BVUBDWEXSA-N 303.406 2.742 0 50 DFAA CC(C)c1cc(C(=O)N(C)CC[C@H](O)c2ccccc2)n(C)n1 65366008 IRSJEUJMJSOGIV-KRWDZBQOSA-N 315.417 2.739 0 50 DFAA COc1ccc(-c2nc3c([nH]2)CC(C)(C)CNC3=O)c(F)c1F 65417540 AGLMRVUYDNKZBW-UHFFFAOYSA-N 321.327 2.676 0 50 DFAA CCOC(=O)C(=CNc1cccc2cccnc12)C(=O)OCC 1581029 QUCLZFYUKIGNMU-UHFFFAOYSA-N 314.341 2.657 0 50 DFAA COCc1ccc(NC(=O)NCC(=O)Nc2ccccc2)cc1 252489702 JXMFSJULPDFSPC-UHFFFAOYSA-N 313.357 2.593 0 50 DFAA COCCN(Cc1c(F)ccc(OC)c1F)C[C@H]1CCCO1 215809513 RIYBVSIXQJOLKP-GFCCVEGCSA-N 315.360 2.601 0 50 DFAA FC1(F)Oc2cccc(-c3nccn3Cc3ccon3)c2O1 71777186 GSAUHFJIBXDIIF-UHFFFAOYSA-N 305.240 2.908 0 50 DFAA CCOC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)C(C)C 252506012 VWGHUPSVOKQGPJ-OAHLLOKOSA-N 321.417 2.568 0 50 DFAA CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1 122339665 PJLLEBKRQSIJFT-STQMWFEESA-N 306.431 2.670 0 50 DFAA OCc1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 253395614 YJXAAVKSPYOCQK-QAPCUYQASA-N 319.351 2.765 0 50 DFAA FC(F)(F)Cc1noc(CN2CCC[C@@H]2c2ccncc2)n1 328674843 QHLAJGBXKSOSGH-LLVKDONJSA-N 312.295 2.907 0 50 DFAA OC[C@H](CNCc1ccc(Cl)c2cccnc12)[C@@H]1CCOC1 280259031 JPJTWCNGVKJAOA-KGLIPLIRSA-N 320.820 2.623 0 50 DFAA FC(F)(F)c1nnc(N2CCO[C@H](c3ccco3)C2)s1 155503550 IKGSJCDYPXAKQH-QMMMGPOBSA-N 305.281 2.728 0 50 DFAA CCN(CCN[C@H](C)c1ccc(N2CCOC2=O)cc1)C1CC1 155832950 QVXIXSVYRSPLEY-CQSZACIVSA-N 317.433 2.778 0 50 DFAA CC(C)NC(=O)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 72135173 ICRDUUKOYURGJQ-GFCCVEGCSA-N 318.446 2.973 0 50 DFAA Cc1cc(C)n(Cc2ccc(C(=O)NCCn3cccc3)cc2)n1 72427085 WAPMTDMDFYRVEJ-UHFFFAOYSA-N 322.412 2.780 0 50 DFAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccsc1 219909586 WKEDCXNOWMHFRV-CVEARBPZSA-N 317.410 2.852 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1cncc(Br)c1 450701145 FZLQTUKQVNZLBL-MGPQQGTHSA-N 311.223 2.974 0 50 DFAA COc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c1F 237357024 PVLWQUWTNJFGTK-LLVKDONJSA-N 309.337 2.694 0 50 DFAA CC[C@H](C(=O)N1CCC[C@H]1CC(=O)O)c1ccc(OC)cc1 263054112 WQKZYKADTZSKGH-ZFWWWQNUSA-N 305.374 2.655 0 50 DFAA O=C(NC[C@@H]1CSCCS1)N[C@H]1CCOc2ccccc21 176346660 LIJQPUSCMDNLMM-YPMHNXCESA-N 324.471 2.658 0 50 DFAA CCN1CCC[C@@H](N2CCc3[nH]nc(-c4ccccc4)c3C2)C1 19795170 OFZVYOTUTWXTCB-MRXNPFEDSA-N 310.445 2.919 0 50 DFAA C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C[C@]1(C)O 91494143 GXJYIYXMUPMQLW-WBMJQRKESA-N 307.821 2.991 0 50 DFAA CCc1cccc(OC2CN(C(=O)c3ncc(F)cc3F)C2)c1 91574415 QJBZUXSPVPLUCW-UHFFFAOYSA-N 318.323 2.826 0 50 DFAA Cc1ccc(C)c(CC(=O)N2CCC([C@@H]3CCNC3)CC2)c1 290228209 UJRIUISOOQZEHT-QGZVFWFLSA-N 300.446 2.694 0 50 DFAA C[C@H]1CN(C(=O)c2cccc(-c3ncn[nH]3)c2)CCC1(F)F 290817127 FRPZZRUNFHQENX-JTQLQIEISA-N 306.316 2.589 0 50 DFAA CCOc1ccc(S(=O)(=O)N2C[C@H](C)c3ccccc32)cn1 181124022 PQRMHJXKLXROSF-LBPRGKRZSA-N 318.398 2.793 0 50 DFAA CC1(C)OCC[C@H]1NC(=O)NCc1csc(-c2ccco2)n1 297943246 WKQDGMKRMVCMTC-GFCCVEGCSA-N 321.402 2.770 0 50 DFAA COc1ccc([C@@H]2CCCN2C(=O)NCc2c[nH]nc2C)cc1 298677680 KGYWWAIIQWGAMD-INIZCTEOSA-N 314.389 2.773 0 50 DFAA C[C@H](c1ccc(-c2cc(C(=O)O)n(C)c2)cc1)N1CCOCC1 534653377 KIIFYXLXRKAOIW-CYBMUJFWSA-N 314.385 2.784 0 50 DFAA O=C(O)C[C@H](NC(=O)[C@H]1COc2ccccc21)c1cccs1 299752578 UQDFLBMWPSXWAN-RYUDHWBXSA-N 317.366 2.556 0 50 DFAA O=C(NCCc1cccc(F)c1)N1CCCC2(CCOCC2)C1 363293747 DLDPYFZFCVURKU-UHFFFAOYSA-N 320.408 2.970 0 50 DFAA COc1ccc(C)cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 670435454 BLFMAGUHEHBGGL-OAHLLOKOSA-N 302.418 2.704 0 50 DFAA Cn1nc(C(=O)O)cc1CNC[C@H]1CCC[C@@H]1c1ccccc1 635311181 MOVXNGVIGDBNLB-GDBMZVCRSA-N 313.401 2.792 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)Nc1ccnn1CCc1ccccc1 190857897 ZFXQZXZNYKTJFC-ZBFHGGJFSA-N 313.401 2.879 0 50 DFAA O=C(CCc1c[nH]cn1)N1CCO[C@H](c2cccc(Cl)c2)C1 193838817 IHFMXSGTWAOVNR-HNNXBMFYSA-N 319.792 2.596 0 50 DFAA CCOC(=O)NCC(=O)NC(C)(C)c1cccc(Cl)c1F 193856686 CBFSFGNCXLFWMW-UHFFFAOYSA-N 316.760 2.577 0 50 DFAA Cc1ccc(F)cc1CNCCc1nnc(-c2ccco2)[nH]1 195552858 MUBWNOCDMXDXRA-UHFFFAOYSA-N 300.337 2.845 0 50 DFAA O=C([C@H]1CCC[C@@H](O)C1)N1Cc2ccc(Br)cc2C1 1857531128 QCPAHWXUZAJDDF-IINYFYTJSA-N 324.218 2.842 0 50 DFAA Cc1ncoc1C(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12315530 HQGUXRJRQWWGPY-CQSZACIVSA-N 305.422 2.900 0 50 DFAA CCCc1noc(CN(C)Cc2cccc(-n3cccn3)c2)n1 12578327 JJLLWNGDPXUGFP-UHFFFAOYSA-N 311.389 2.840 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 16603962 BTELEDDKUBZOKO-LBPRGKRZSA-N 310.419 2.598 0 50 DFAA CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC 2346828 UKRJQNJMYQIYGB-UHFFFAOYSA-N 324.450 2.506 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1 4814350 NAIAKZRDECYDQV-CQSZACIVSA-N 324.446 2.988 0 50 DFAA CCc1cccc(C)c1NC(=O)c1ccc(-n2cnnn2)cc1 5658550 BQEYDYYPSDPDLZ-UHFFFAOYSA-N 307.357 2.785 0 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CCCC[C@H](CC(=O)O)NC(=O)CCN1CCCCCCC1 55042234 HSQZKDVWMJNKJT-OAHLLOKOSA-N 312.454 2.792 0 50 DFAA CN1CCN(Cc2ccccc2OC2CCCC2)C[C@H]1CCO 104299277 SWGNNMKKODRWQJ-QGZVFWFLSA-N 318.461 2.506 0 50 DFAA CCOC(=O)CN(C(=O)N(C)c1ccc(F)cc1)C1CCC1 345371539 STKKWGZZPHWOHV-UHFFFAOYSA-N 308.353 2.800 0 50 DFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@@H](c2ccn[nH]2)C1 67675780 UTFOOKFZSSXIKK-CYBMUJFWSA-N 321.384 2.820 0 50 DFAA Cc1cc(NC[C@H](O)c2ccccc2Cl)nc(N(C)C)n1 65398471 NCUKNHRTWTWEND-ZDUSSCGKSA-N 306.797 2.650 0 50 DFAA C[C@@H](NCc1cn[nH]c1-c1cccs1)C(=O)NC1CCCC1 67723438 NTQPHMZBVJDULQ-LLVKDONJSA-N 318.446 2.675 0 50 DFAA Cn1cc([C@H]2CCCN2C[C@@H](O)c2ccc(F)c(F)c2)cn1 229558466 MFTIISYDWZSPAN-HZPDHXFCSA-N 307.344 2.569 0 50 DFAA CCCN(C(=O)NCc1cccnc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252477266 KZISLFHUYRTGKI-ARFHVFGLSA-N 317.433 2.817 0 50 DFAA Cc1ccc([C@H](NC[C@]2(O)CCN(C)C2)c2ccccc2)cc1 358253877 PFMAZALQLQFYQA-WOJBJXKFSA-N 310.441 2.741 0 50 DFAA 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Cn1ccc2c(C(=O)N3C[C@H](c4ccccc4)[C@@H](N)C3)cccc21 91620404 NJGWCQRHMLFCBV-MSOLQXFVSA-N 319.408 2.745 0 50 DFAA O[C@@H](C[C@@H]1c2c(F)cccc2-c2cncn21)[C@H]1CC[C@H](O)CC1 253387954 YGACXVRLDHEXKY-RYPCIWMOSA-N 316.376 2.894 0 50 DFAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(Cn2cc(C3CC3)nn2)o1 299750407 NKGMCXXOVFDBQE-FZMZJTMJSA-N 317.393 2.505 0 50 DFAA Cc1cc(F)cc(NC(=O)N(C)CCCc2nccn2C)c1 299798624 SNKVUUCOHDASTB-UHFFFAOYSA-N 304.369 2.964 0 50 DFAA CCn1c(C)ccc(C(=O)NCCSC2CCCCC2)c1=O 299756929 ITIHDMPCBJVGOR-UHFFFAOYSA-N 322.474 2.972 0 50 DFAA Cc1cc(C)n(CCCNC(=O)c2ccccc2-c2ncc[nH]2)n1 825286253 WDRFJCMAZNZTSJ-UHFFFAOYSA-N 323.400 2.710 0 50 DFAA CC(C)(O)Cn1nc(-c2ccc(Cl)cc2)nc1C1(C)COC1 825554391 LINHKVSDJKIXMA-UHFFFAOYSA-N 321.808 2.657 0 50 DFAA Cc1cc([C@@H]2CCCN2C[C@@H]2COc3ccccc3O2)on1 585145878 OMGWVTYTXOBDGP-KGLIPLIRSA-N 300.358 2.960 0 50 DFAA CC(C)c1ncsc1C(=O)NC[C@@H]1CCN(CC(F)F)C1 1434318157 ZBGRPJYIYPHSRO-JTQLQIEISA-N 317.405 2.583 0 50 DFAA CCc1oc2ccccc2c1CC(=O)N1CCC[C@@H]1C(=O)O 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Cc1ccnc(NC(=O)Cc2ccc(Br)cc2)n1 614992 KVRVABYCFHELJH-UHFFFAOYSA-N 306.163 2.729 0 50 DFAA S=C(NCc1ccco1)Nc1ccc(Br)cn1 621541 MOFCVMRLHZQRPA-UHFFFAOYSA-N 312.192 2.924 0 50 DFAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1sccc1Br 111533905 XBMGEWXQAMKCSS-PSASIEDQSA-N 317.252 2.853 0 50 DFAA COc1ccc(-c2nccn2-c2cccc3c2nnn3C)cc1O 1775982578 SCZXSDJOTNTMAA-UHFFFAOYSA-N 321.340 2.535 0 50 DFAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)cc1C 13327222 LXBRVNKBIZQZSN-ZDUSSCGKSA-N 312.369 2.808 0 50 DFAA COc1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 13955186 JHLZPZJSKURTPL-UHFFFAOYSA-N 324.336 2.601 0 50 DFAA COc1cc(Cl)c(S(=O)(=O)n2ccnc2C)cc1Cl 16577804 PXUMCLLDDWZWAB-UHFFFAOYSA-N 321.185 2.744 0 50 DFAA CC(C)c1c(C(=O)NCc2ccco2)nnn1-c1ccccc1 16647801 FLYBUTZCVZOGDR-UHFFFAOYSA-N 310.357 2.914 0 50 DFAA Nc1cc(=O)[nH]c(SCc2ccc(Cl)cc2Cl)n1 18033265 AEOOHSADGKNJGL-UHFFFAOYSA-N 302.186 2.951 0 50 DFAA COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccco2)n1 4998254 AGFAWKCZSRDUNY-JTQLQIEISA-N 313.313 2.829 0 50 DFAA COCCSc1nnc(NC(=O)Cc2cccs2)s1 2865478 IECWXZSBRFXWLS-UHFFFAOYSA-N 315.445 2.519 0 50 DFAA COc1c(C)cc(C)cc1-c1nccn1C[C@H]1CN(C)CCO1 1857700461 HZXMPLFTWQJKSZ-OAHLLOKOSA-N 315.417 2.506 0 50 DFAA O=C(NC1(C(F)F)CCCCC1)c1ccc(N2CCC2)nc1 451902169 NWPGIXOOKGTIGC-UHFFFAOYSA-N 309.360 2.990 0 50 DFAA Cc1ccc(NC(=O)C2CCN(CCOCC(C)C)CC2)nc1 252508710 XRGYELJYOKZOTB-UHFFFAOYSA-N 319.449 2.713 0 50 DFAA COC[C@@H](C)CNc1ccc2nnc(-c3ccccc3F)n2n1 140425752 SJULMWRSTVXHTC-NSHDSACASA-N 315.352 2.625 0 50 DFAA O=C(Nc1ccc(Br)c2cccnc12)c1cc[nH]n1 253393346 XQERXZSOWNSGFJ-UHFFFAOYSA-N 317.146 2.973 0 50 DFAA CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCO1 372748938 BDNVYUYZVRALIE-HUUCEWRRSA-N 310.438 2.689 0 50 DFAA O=C(Nc1cccc(-c2nnsc2Cl)c1)[C@@H]1CCCO1 585125915 IOMGZNVRWXAGAL-JTQLQIEISA-N 309.778 2.976 0 50 DFAA CC(C)n1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1 1875279981 NSKQWVNLNHPXNI-UHFFFAOYSA-N 322.434 2.957 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CC(=O)NC2(C)C)c2cccnc2c1C 1875293671 YVHCMAHAUXWMFP-ZDUSSCGKSA-N 311.385 2.705 0 50 DFAA Cc1ccoc1CNC[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 886080211 QALAFDCWWULARS-PBHICJAKSA-N 303.406 2.806 0 50 DFAA CCOP(=O)(Cc1cc(=O)n2cccc(C)c2n1)OCC 1776003986 IIECPRKIKRNIKO-UHFFFAOYSA-N 310.290 2.769 0 50 DFAA Cc1cc(NC(=O)[C@]2(C(=O)O)CCNC2)cc(-c2ccccc2)c1 2325791142 YWVXHYKYIQGKFJ-IBGZPJMESA-N 324.380 2.665 0 50 DFAA O=C(NCc1nccc(Cl)c1F)c1cccc2nc(O)oc12 2325850521 AIVMFACHCWCBEF-UHFFFAOYSA-N 321.695 2.651 0 50 DFAA CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 74151 PNDZTDZWHSSHEH-CYBMUJFWSA-N 324.446 2.846 0 50 DFAA Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 84046 UIJGRMUULCXBFO-GFCCVEGCSA-N 313.332 2.521 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 102024 LITVMVOUJQEMJA-INIZCTEOSA-N 310.397 2.803 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)NC(=O)N1 182143 PIBPZYSVASLCQT-CYBMUJFWSA-N 308.765 2.920 0 50 DFAA Cc1nc2ccc(-c3ccc4nc(C)oc(=O)c4c3)cc2c(=O)o1 192376 QOAAZOVWOPMNGS-UHFFFAOYSA-N 320.304 2.973 0 50 DFAA COC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 305232 XLHNWJFOPHVBRV-JTQLQIEISA-N 314.366 2.859 0 50 DFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCCc1cccc(Cl)c1 460539 SPBDDZCGBICXSV-KGLIPLIRSA-N 307.777 2.666 0 50 DFAA CC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 611243 PKGMYPWPEMLYOL-UHFFFAOYSA-N 312.325 2.940 0 50 DFAA CCCc1cc(C(=O)N2CCC(OC(F)(F)F)CC2)n[nH]1 2356141607 IXHGIVSPZYEOFT-UHFFFAOYSA-N 305.300 2.503 0 50 DFAA CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H](CNC(C)=O)C1 458939119 JUPUKCPUTASPBE-ZACQAIPSSA-N 323.481 2.761 0 50 DFAA COc1cc(NS(=O)(=O)c2ccccc2)cc(OC)c1OC 6269785 FJCFAFLWJQAEEY-UHFFFAOYSA-N 323.370 2.513 0 50 DFAA COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1 6726052 OAJOEOSOPLKCKJ-UHFFFAOYSA-N 311.790 2.827 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCN(Cc2ccco2)CC1 6730792 MUYBPZACGBCQAI-UHFFFAOYSA-N 303.337 2.768 0 50 DFAA COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(F)cc1 8497972 RYXONKIPGPGLBH-ZDUSSCGKSA-N 319.376 2.884 0 50 DFAA CN[C@H]1CCCN(C(=O)c2cccc(Oc3ccncc3)c2)C1 132910677 ABYPRJQYLBLSDF-HNNXBMFYSA-N 311.385 2.698 0 50 DFAA C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C[C@@H](C)O1 227375551 WBYDZFXCYAGPFY-KFWWJZLASA-N 310.438 2.687 0 50 DFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@H]2C(=O)O 100686557 GGGLJXMPHPRWIQ-SRABZTEZSA-N 313.397 2.996 0 50 DFAA O=C(CSCc1ccccc1Cl)NCCN1CCCC1 55360410 TUXIMDNACHMORE-UHFFFAOYSA-N 312.866 2.785 0 50 DFAA Cc1ccc(N[C@@H]2CCCN(c3ccccc3)C2=O)cc1C(N)=O 115599275 DHTXHBUUZWRQGR-QGZVFWFLSA-N 323.396 2.701 0 50 DFAA O=C(O)CCNCC(=O)Nc1cccc(CC2CCCCC2)c1 27647194 RIYMGJSULHRONO-UHFFFAOYSA-N 318.417 2.812 0 50 DFAA in-vitro Cc1noc([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)n1 248052971 XLHYWBJRXDJVPY-QILRFPOHSA-N 307.300 2.637 0 50 DFAA CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cccnc2S)C1 137054536 WBZYWNPBYMHVJP-NSHDSACASA-N 322.430 2.564 0 50 DFAA CCc1csc(CNC(=O)[C@@H](C)n2cnc3ccccc32)n1 65372894 GWROZVZQHFPBQO-LLVKDONJSA-N 314.414 2.933 0 50 DFAA CCn1nc(C)c([C@@H](C)NC(=O)C2CCC(OC)CC2)c1C 67894452 XOVDPWVLABDMPR-VCANKDNSSA-N 307.438 2.902 0 50 DFAA CN(CCC[C@H]1CCCO1)c1nc(CCN)nc2ccccc12 65462837 OPFWTNBBUOLHBE-AWEZNQCLSA-N 314.433 2.526 0 50 DFAA CCc1ccc(CN(C)CCC(=O)Nc2nccs2)nc1 65383316 CTDLSPOMRDPWTN-UHFFFAOYSA-N 304.419 2.561 0 50 DFAA CC1(C)CN=C(NCCc2ccc(Br)cc2)NC1 310963051 GZUNNOJVDVHBGV-UHFFFAOYSA-N 310.239 2.567 0 50 DFAA c1ccc(Cc2n[nH]c(C3CCN(c4ncccn4)CC3)n2)cc1 65420786 ADVIFIQADZTHTA-UHFFFAOYSA-N 320.400 2.570 0 50 DFAA c1cc(-c2nccn2-c2ccc3cn[nH]c3c2)c2nonc2c1 67692597 TWUZLGMWDKWQIJ-UHFFFAOYSA-N 302.297 2.952 0 50 DFAA Cc1cc(C)c(C(N)=O)c(-c2ccc(C(=O)N3CCCC3)cc2)n1 32565393 CAKCFOROZOCPSU-UHFFFAOYSA-N 323.396 2.700 0 50 DFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ncc[nH]3)C2)cc1F 12317584 ZAMCLWOWSHFKAA-ZDUSSCGKSA-N 317.364 2.652 0 50 DFAA CC(=O)N[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1c1ccc(C)cc1 77378518 RVNOZJUMRIBSGG-ZWKOTPCHSA-N 314.429 2.616 0 50 DFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCN(C)CC1 72117207 QKOCBLGWLNTPKB-QGZVFWFLSA-N 302.418 2.531 0 50 DFAA CO[C@H]1CCN(C(=O)NCCc2cc(C)c(O)c(C)c2)[C@@H](C)C1 253432718 MZTAJRKPCVUTNV-HOCLYGCPSA-N 320.433 2.760 0 50 DFAA Cc1cc(N2CCN[C@H](c3ccccc3)C2)n2nc(C)c(C)c2n1 72406840 IPDLMKNOSDYWQD-KRWDZBQOSA-N 321.428 2.805 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2c(C)noc2C)c1 331459651 AMDHDVHZEUXQEZ-RHSMWYFYSA-N 302.374 2.608 0 50 DFAA COCc1ccccc1CN1C(=O)[C@H]2CCCCCN2C1=O 372909723 HFAYWNJDROSOGY-OAHLLOKOSA-N 302.374 2.540 0 50 DFAA Cc1noc(C)c1CN1CCC(OCc2ccccn2)CC1 215636863 KOLSLPCLIZXSFY-UHFFFAOYSA-N 301.390 2.868 0 50 DFAA Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c2cc(F)ccc21 332362914 WWUUTAWLYYDIQC-IAQYHMDHSA-N 304.365 2.598 0 50 DFAA CN(Cc1ccc(CCC(C)(C)O)cc1)Cc1cnn(C)c1 72479319 QJPADURQZDFTTH-UHFFFAOYSA-N 301.434 2.756 0 50 DFAA Cc1noc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)n1 223504087 ACMCWJOCIYDFBL-AWEZNQCLSA-N 313.357 2.680 0 50 DFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCN(C(=O)C2CC2)CC1 240412836 FOCKEKCCCARWTC-KBRIMQKVSA-N 318.461 2.815 0 50 DFAA Cc1nnc(CN2CCC[C@H]2c2cccc3c2OCCO3)s1 240668487 HNBRIHIJVGDHSZ-ZDUSSCGKSA-N 317.414 2.955 0 50 DFAA C[C@H](OC[C@@H](O)CNC[C@H]1CCCO1)c1ccc(Cl)cc1 241171016 KDOQIASTJZFSMJ-VBNZEHGJSA-N 313.825 2.547 0 50 DFAA CCNC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 606446237 RUUFULYGFRSWCL-XDNAFOTISA-N 313.445 2.558 0 50 DFAA Fc1ccc(N2CC[C@H](N3CCCC4(CCNCC4)C3)C2)cc1 426395409 QEXSSHRCELLKKG-SFHVURJKSA-N 317.452 2.870 0 50 DFAA C[C@H](c1ccc(-c2nc(N(C)C)ns2)cc1)N1CCOCC1 426399323 BOSMTLDVNLSJIR-GFCCVEGCSA-N 318.446 2.664 0 50 DFAA Cc1n[nH]c([C@H]2CCCN2C(=O)c2ccc3c(c2)CCCC3)n1 220546151 HRSRIXDRNDYINW-MRXNPFEDSA-N 310.401 2.969 0 50 DFAA CC(C)(C)c1cc(C(=O)NCC(=O)O)cc(C(C)(C)C)c1O 263578804 TUMZQDYQIINCHV-UHFFFAOYSA-N 307.390 2.802 0 50 DFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NCc1ccccc1 229850113 GGGLJXMPHPRWIQ-TXCZRRACSA-N 313.397 2.996 0 50 DFAA CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2ccnn2)cc1 175644562 NYEUFSUPBLJWFT-MRXNPFEDSA-N 312.417 2.939 0 50 DFAA COc1cccc(CSc2nnc(C3CCNCC3)n2C)c1 426503435 RZSRCMNZVGHHAQ-UHFFFAOYSA-N 318.446 2.583 0 50 DFAA Cc1ccc(-c2ccc(CCC(=O)NCCc3cnn[nH]3)o2)cc1 426555753 AGXVILFSBILBDS-UHFFFAOYSA-N 324.384 2.665 0 50 DFAA C[C@@H]1Cc2cc(C(=O)N3CCOC4(CCCC4)C3)ccc2O1 426489940 AVGAANYZBZSUOX-CYBMUJFWSA-N 301.386 2.795 0 50 DFAA CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CC=C(C)CC2)c1C 426497573 ZHWUOMNUGHQXMO-GFCCVEGCSA-N 303.406 2.832 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](N)C2)c2ccc(Cl)cc2n1 96160084 NDQJTOGQPKSBQT-LBPRGKRZSA-N 303.793 2.760 0 50 DFAA O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1nc2c(s1)C(=O)CCC2 333910955 XDBNUGRQZKZYEF-KBVBSXBZSA-N 306.387 2.558 0 50 DFAA Cc1[nH]nc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)c1Cl 97295363 BAXYUGHZZPZORB-GFCCVEGCSA-N 318.808 2.861 0 50 DFAA COc1cccc([C@@H]2CCN2C(=O)Cn2nc(C)c(C)c2C)c1 97784952 KWVYSNBABWLBLU-KRWDZBQOSA-N 313.401 2.791 0 50 DFAA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3cncc(N)c3)c2)C1 426374294 OUJSHDKETNTAST-QGZVFWFLSA-N 324.384 2.616 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nn2C)[nH]1 426667621 SRBGZNZYSGFYPJ-GFCCVEGCSA-N 309.373 2.610 0 50 DFAA CCNc1ncc(C(=O)NC(C)(C)Cc2ccc(F)cc2)cn1 91460135 URASNNKHJWSKKH-UHFFFAOYSA-N 316.380 2.799 0 50 DFAA O=C(c1cnc(C2CC2)nc1)N1CCC[C@]2(CCCO2)CC1 97546528 MKEUYINZQQAWEV-KRWDZBQOSA-N 301.390 2.529 0 50 DFAA COc1ccc(CCCC(=O)N2CC(C)(C)[C@@](C)(O)C2)cc1 91320722 FZWXZBCIURKNJD-SFHVURJKSA-N 305.418 2.637 0 50 DFAA C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@@]1(O)C1CC1 92062271 UVOQQQFAOHWLTO-HWPZZCPQSA-N 311.784 2.641 0 50 DFAA Cc1nn(C)cc1CN(C)CCc1nc2cc(Cl)ccc2[nH]1 97729625 FPUUCCTYHOWBCI-UHFFFAOYSA-N 317.824 2.933 0 50 DFAA O=C(CCc1ccncc1)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244900223 ZYECGLSGGWDCRN-GUDVDZBRSA-N 324.424 2.513 0 50 DFAA Cc1nc(CCN2CCC[C@H](C(=O)c3ccccn3)C2)cs1 244700836 JUYHZTAHLADFEP-AWEZNQCLSA-N 315.442 2.984 0 50 DFAA Cc1ccc2ncnc(N[C@H]3CCO[C@H]3c3nc(C)no3)c2c1 624748622 GGDUMIJHBQGCRI-UONOGXRCSA-N 311.345 2.572 0 50 DFAA COc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1F 299745314 XUZABFQSJAPLSL-LBPRGKRZSA-N 309.337 2.694 0 50 DFAA CCn1ccnc1CN(C)C(=O)Nc1cc(C)ccc1OC 299797571 ORRPOVPRSTXUAE-UHFFFAOYSA-N 302.378 2.884 0 50 DFAA O=C(NC[C@@H]1CCOC1)Nc1ccnn1CC1CCCCC1 299796363 MEUFGEUSIPMXRF-AWEZNQCLSA-N 306.410 2.621 0 50 DFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N[C@H]1CC[C@H](O)CC1 822535031 TXSBZEWRJAAMNS-HAQNSBGRSA-N 324.808 2.722 0 50 DFAA O=C1CCc2c1cccc2C(=O)N1CC[C@](O)(c2ccccc2)C1 584895549 HKLOXSKFOGQHAZ-HXUWFJFHSA-N 321.376 2.549 0 50 DFAA Cc1cc(C)c(CNC(=O)N(C)CCC[C@@H]2CCCO2)cn1 584892168 DJIOKMRLRTYOCX-MRXNPFEDSA-N 305.422 2.799 0 50 DFAA COc1cccc(-n2cc(CN[C@H]3CCCSC3)cn2)c1 584885475 CWKOLKBHOONULU-AWEZNQCLSA-N 303.431 2.866 0 50 DFAA Clc1ccc(Br)c(OCCN2CCOCC2)c1 65337360 QPTYRKYUGKVPKH-UHFFFAOYSA-N 320.614 2.814 0 50 DFAA in-vitro CCc1ccc([C@@H]2COCCN2c2ncnc(CC)c2F)o1 301913462 CQTNODSHZGGEML-ZDUSSCGKSA-N 305.353 2.911 0 50 DFAA CCc1nc2c(s1)[C@H](N(C)C(=O)/C=C/CN(C)C)CCC2 268655673 CEKNARIVIIBVQI-UTSBKAFOSA-N 307.463 2.659 0 50 DFAA Cc1ncc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)s1 184734355 CSKDCOYTQCPDCV-OAHLLOKOSA-N 319.405 2.572 0 50 DFAA CCc1nc2cc(CNC(=O)c3cc[nH]n3)ccc2n1C1CC1 408515980 SVNXCAVGSAPTNC-UHFFFAOYSA-N 309.373 2.587 0 50 DFAA Cc1ccc(CN2C(=O)N[C@](C)(c3cccs3)C2=O)c(C)n1 185301591 QBJSWBFGHGPCPD-MRXNPFEDSA-N 315.398 2.727 0 50 DFAA CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1C[C@@H](C(=O)O)C1 659228807 PMCYIQDZHQOHAF-XWLWVQCSSA-N 307.312 2.677 0 50 DFAA CCC(O)(CC)CNC(=O)N[C@H]1CCOC2(CCCCC2)C1 170047461 AJRBINFMMJBPQB-AWEZNQCLSA-N 312.454 2.719 0 50 DFAA O=C(Cc1ccccc1O)NC[C@H]1CCO[C@@H]1c1ccccc1 170004947 CBAVARHDDCKFCS-VQIMIIECSA-N 311.381 2.829 0 50 DFAA O=C(Cc1ccc2[nH]ccc2c1)NC[C@@H]1COc2ccccc2O1 170239525 LBBRBIHZXUHPAW-OAHLLOKOSA-N 322.364 2.667 0 50 DFAA Cc1cccc(-n2nnnc2SC[C@]2(C)CCCC2=O)c1 170610413 QIOUKMUOPDTSFL-HNNXBMFYSA-N 302.403 2.822 0 50 DFAA O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](n2ccnn2)CC1 585131161 NJTXXSAQYCXIQS-HNNXBMFYSA-N 318.808 2.728 0 50 DFAA Cc1csc([C@@H]2CCCN(Cc3ncccc3C(=O)O)C2)n1 652406874 GGSSCTCANQJESE-GFCCVEGCSA-N 317.414 2.924 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)N2Cc3cc(F)c(F)cc3C2)CN1C1CC1 654482001 URTRTUJOKOBNOI-ZWNOBZJWSA-N 321.371 2.615 0 50 DFAA C[Si](C)(C)CCOCn1cc(I)cn1 196686773 YJDGPUCAPUOFQD-UHFFFAOYSA-N 324.238 2.800 0 50 DFAA CCOC(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 238297906 MDXADWMRPONPFL-UHFFFAOYSA-N 307.337 2.832 0 50 DFAA in-vitro COc1ccc2c(c1)CCOC21CCN(C(=O)NC(C)C)CC1 1704337445 ZEOVJLLDDQVMDQ-UHFFFAOYSA-N 318.417 2.677 0 50 DFAA CC[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)OC 4056188 XUECUZXCURIUNZ-AWEZNQCLSA-N 302.326 2.612 0 50 DFAA CCc1cc(NCc2cccn3nccc23)nc(N2CCCC2)n1 1772814388 WIDSZIOODIJYBZ-UHFFFAOYSA-N 322.416 2.899 0 50 DFAA O=C(NCCc1cccnc1)c1coc(COc2ccccc2)n1 11873656 ZKYIERKEFZBFBT-UHFFFAOYSA-N 323.352 2.621 0 50 DFAA CCc1c(C)sc(NC(=O)Cc2cccs2)c1C(N)=O 13327564 KSCOPYNCGXENQY-UHFFFAOYSA-N 308.428 2.961 0 50 DFAA CCOc1ccc2ccccc2c1/C=C1\NC(=S)N(C)C1=O 15010494 DOXQQPOITRFZKP-UVTDQMKNSA-N 312.394 2.926 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)CC1 6726356 UIDUQRFZSDBXLU-HOTGVXAUSA-N 308.466 2.966 0 50 DFAA COCCNC(=O)c1ccccc1OCCOc1ccccc1 6743242 FMBNJXWHJJHNDZ-UHFFFAOYSA-N 315.369 2.521 0 50 DFAA C[C@H](NC(N)=O)C(=O)N1CCCCC[C@@H]1C=Cc1ccccc1 1857533281 BDNIDANCTZWQOH-GOEBONIOSA-N 315.417 2.528 0 50 DFAA CCCN1CC[C@]2(C1)Cn1c(nnc1-c1sccc1C)CO2 1857687237 MMTRYBMKCJUPPV-INIZCTEOSA-N 318.446 2.700 0 50 DFAA Cc1nc2ccccc2nc1-c1nccn1[C@H](C)Cn1cncn1 1857692987 CICUVTYMLPIQAF-GFCCVEGCSA-N 319.372 2.654 0 50 DFAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccn2nccc2c1 1857729553 PFOPECWVQVYTGD-UHFFFAOYSA-N 323.400 2.599 0 50 DFAA CCc1ncc(CNC(=O)c2coc3ccc(OC)cc23)o1 456498639 YBFFJUOJQGMTBJ-UHFFFAOYSA-N 300.314 2.922 0 50 DFAA CN(CCCC(=O)O)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 237278903 XTKRVKUGQYQVKH-ZJUUUORDSA-N 313.756 2.906 0 50 DFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@H]1C1CC1 238125544 QCCASJSNZFJHDN-STQMWFEESA-N 323.339 2.814 0 50 DFAA COC1(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)CCOCC1 375219706 SEZJOKDWMZZGCW-INIZCTEOSA-N 303.402 2.507 0 50 DFAA CC(C)(O)[C@H]1CCN(C(=O)c2ccc(F)c3cccnc23)C1 1775183432 YYDBZEBXXWKVLD-NSHDSACASA-N 302.349 2.607 0 50 DFAA CC(C)(O)[C@@H](O)c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 1775997569 IBBKVMURPSERHE-NSHDSACASA-N 307.737 2.676 0 50 DFAA O=C(OCCc1nn[nH]n1)[C@H](c1cccs1)C1CCCCC1 2325779598 QYPAEFTWEAQEKE-AWEZNQCLSA-N 320.418 2.711 0 50 DFAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2ccc(Cl)cc2C1 458575529 XTKLXIYKTOGMOU-ZBEGNZNMSA-N 319.836 2.848 0 50 DFAA COc1cccc(C(=O)Nc2ccccc2NC(C)=O)c1OC 496525 IXQSQQFWIYLUDC-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc(F)cc1 783775 PQPBZISDMNGHOP-MRXNPFEDSA-N 319.719 2.892 0 50 DFAA COc1cccc(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)n1 2356152701 WWSXAEBFAARRTQ-MDBPOYHNSA-N 303.450 2.641 0 50 DFAA COc1cc(C(=O)n2cnc3ccccc32)cc(OC)c1OC 2755918 VYGCNYZWHSAACZ-UHFFFAOYSA-N 312.325 2.751 0 50 DFAA O=C(Cn1c(NCCCO)nc2ccccc21)c1ccccc1 2898310 VUAWXOVDKSJYGY-UHFFFAOYSA-N 309.369 2.714 0 50 DFAA COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1 10110768 DMUBIRVGYSKBHG-UHFFFAOYSA-N 319.426 2.915 0 50 DFAA CCc1oc(C(=O)N2CCCC[C@@H]2CN)cc1CN(CC)CC 55042560 YNRMOMRMSVCVSF-OAHLLOKOSA-N 321.465 2.637 0 50 DFAA Cc1noc2ncc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc12 114394578 UJPRVFVZSVPCML-UHFFFAOYSA-N 320.312 2.569 0 50 DFAA CCc1ccccc1OCCN(C)C(=O)c1[nH]nc(CC)c1C 55252918 SKGXNYXVXPGTLH-UHFFFAOYSA-N 315.417 2.994 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](C)n1cccc1 248170980 SCGDCAZZUHBTFN-GVDBMIGSSA-N 303.450 2.915 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cccc(Oc2ccncc2)c1 346364246 ZAWSTGZFCJEJNF-HNNXBMFYSA-N 312.325 2.563 0 50 DFAA CNc1nc(C)c(C(=O)N(C)[C@H](C)Cc2ncccc2C)s1 67641974 LYBKAHBMWGBNAN-LLVKDONJSA-N 318.446 2.900 0 50 DFAA C[C@H](NCCC(=O)Nc1nnc(C2CC2)s1)c1ccco1 65507648 DYPMERUFKVWOKA-VIFPVBQESA-N 306.391 2.688 0 50 DFAA CCc1cnc(C)nc1N1CCN(CCc2ccccc2)CC1 65385323 OJHMKDYYPUWMAM-UHFFFAOYSA-N 310.445 2.712 0 50 DFAA Cc1ccc(N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)nn1 67676924 WJCCFZAODOJJPI-UHFFFAOYSA-N 309.348 2.877 0 50 DFAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1F 252463477 XKTNIWYYRCTVTL-FZQKWOKYSA-N 324.783 2.738 0 50 DFAA COc1ccc(CCCNc2cc(C3CC(O)C3)ncn2)cc1 218819702 GDDDHLVGBUYEJT-UHFFFAOYSA-N 313.401 2.768 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1ccccc1OCC(=O)O 215985632 KXMIJNTZPZZGMF-CYBMUJFWSA-N 317.389 2.683 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 219700956 ZVPKKQKNTWISIA-QGZVFWFLSA-N 322.424 2.675 0 50 DFAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1cccc2ccnn12 72409490 YLIUNHDMTHNBFI-QGZVFWFLSA-N 309.369 2.530 0 50 DFAA CC(C)n1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)cn1 77357224 YXRFJEXFBBJOPT-MRXNPFEDSA-N 301.390 2.660 0 50 DFAA Cc1cc(NC[C@@H](O)c2cccc(F)c2)n2nc(C)c(C)c2n1 72463453 HOROLIZOQOOMED-OAHLLOKOSA-N 314.364 2.939 0 50 DFAA C[C@H](N)C(=O)N1C[C@H](C)C[C@H]1c1ccc(C(F)(F)F)cc1 253370417 QRHOOHSESHMTFI-NRUUGDAUSA-N 300.324 2.962 0 50 DFAA COc1ccc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)cn1 216166300 GOUZDBRHGSOXLP-OAHLLOKOSA-N 311.385 2.580 0 50 DFAA COc1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)cn1 216166253 GOUZDBRHGSOXLP-HNNXBMFYSA-N 311.385 2.580 0 50 DFAA CC(C)(C)C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccc(F)cc1 330593843 WTKISIDBFMWYJR-OCCSQVGLSA-N 306.381 2.555 0 50 DFAA Cc1nc(NCCCC[C@@H]2CCCO2)c2c(C)nn(C)c2n1 72481406 FHLAMBIYWUEJPQ-CYBMUJFWSA-N 303.410 2.741 0 50 DFAA CNc1ccc(Cl)c(C(=O)N[C@H]2CCCc3c[nH]nc32)c1 331866251 SMVNHZFLQTVWNV-ZDUSSCGKSA-N 304.781 2.912 0 50 DFAA O=C(NCCF)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 281082908 TYNKODBLOSLAAC-JTQLQIEISA-N 319.302 2.553 0 50 DFAA CC[C@]1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1 71749893 CNAOTQDZPCQXJP-AWEZNQCLSA-N 317.355 2.960 0 50 DFAA C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1CC(=O)O 237566604 JEYFFZLYUVWBBX-SWLSCSKDSA-N 305.374 2.848 0 50 DFAA CO[C@@H]1CCCC[C@H]1OC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 229821225 NNCXOWHBGFXDFN-IUIKQTSFSA-N 308.422 2.716 0 50 DFAA Cc1ccsc1CCNC(=O)CCc1c(C)nn(C)c1C 82120803 DAOVJFZQBHRGPU-UHFFFAOYSA-N 305.447 2.698 0 50 DFAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)N[C@H]1CCc2ccccc21 241171076 KDZUCMDJUGHDJH-XIRDDKMYSA-N 302.418 2.866 0 50 DFAA CC[C@H](NS(=O)(=O)N1CCCCCC1)c1cccs1 48673965 KWMRGOPMGIDNRZ-LBPRGKRZSA-N 302.465 2.910 0 50 DFAA CC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c1 223006759 CGIUIVMQCJKQJI-OAHLLOKOSA-N 303.358 2.749 0 50 DFAA CCN(Cc1nc(C(C)C)no1)C(=O)c1onc2c1CCCC2 426382822 VTJHHLDHVLRMMW-UHFFFAOYSA-N 318.377 2.722 0 50 DFAA CN(CCCc1nccn1C)C(=O)Cc1c(F)cccc1Cl 222491649 VDAWZCJPGLUZKZ-UHFFFAOYSA-N 323.799 2.846 0 50 DFAA C[C@@H](c1ccon1)N(C)C(=O)c1ccc(-c2ccncc2)nc1O 426489894 JKRYGUOFIZLZRI-NSHDSACASA-N 324.340 2.670 0 50 DFAA CN(CCc1ncon1)C(=O)c1cc2cccc(Cl)c2n1C 426503565 RHIQKMCYBDVKDK-UHFFFAOYSA-N 318.764 2.529 0 50 DFAA CN(C)[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 96136679 RXLPTXOMOVZSMQ-VIFPVBQESA-N 303.740 2.786 0 50 DFAA Cc1nc(N(C)C)ncc1C(=O)N1CCC(c2ccccc2)CC1 95379711 BBHAXLBANIFQAK-UHFFFAOYSA-N 324.428 2.871 0 50 DFAA CCc1nnc(N[C@@H](CC)c2ccc(S(C)(=O)=O)cc2)o1 95386180 JVQSMGNPFARYDZ-LBPRGKRZSA-N 309.391 2.599 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cc(O)n1 180568347 XJHQWFAVRVCVHW-MRXNPFEDSA-N 324.380 2.973 0 50 DFAA CCN(CC)[C@H](C(=O)NCc1ccnn1CC)c1ccccc1 621116014 VKBFSSRREXWOFE-KRWDZBQOSA-N 314.433 2.602 0 50 DFAA Cc1ccc(C)n1CC(=O)N1CCC[C@@H]1c1nnc2ccccn12 604418557 SQAKOWOEGGLDNE-OAHLLOKOSA-N 323.400 2.511 0 50 DFAA Cc1ccc(NC(=O)NCCn2nc(C)nc2C)c(Cl)c1 299779017 QFSGWQBWGWFJKM-UHFFFAOYSA-N 307.785 2.678 0 50 DFAA CCOC(C)(C)c1nc(-c2ccc(Cl)cc2)nn1CCO 828776699 KHZDRRBBMVHIAR-UHFFFAOYSA-N 309.797 2.862 0 50 DFAA COc1ccc2ncn([C@H](C)CCCC(C)(C)O)c(=O)c2c1 584889038 OOYWFRUQFNBZHS-GFCCVEGCSA-N 304.390 2.907 0 50 DFAA CCOCCN[C@H](C)C[C@@H](C)CCNC(=O)OC(C)(C)C 585134927 PNTITMOIRMTERX-UONOGXRCSA-N 302.459 2.942 0 50 DFAA CCNC(=O)c1ccc(-c2cccc(CC(=O)O)c2)cc1F 85477255 YKGMKTLRMXMEOM-UHFFFAOYSA-N 301.317 2.870 0 50 DFAA in-vitro O=C(N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12)c1cncs1 1565510226 SOMABSDURBCEIR-OCVGTWLNSA-N 314.410 2.519 0 50 DFAA O=C(NCCc1nc2c(s1)CCCC2)c1cncc(F)c1 268276294 PAYNGZUOMLDWHX-UHFFFAOYSA-N 305.378 2.529 0 50 DFAA O=C(O)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)CC2 630100391 HFZQMVABXAZRGZ-YNEHKIRRSA-N 305.399 2.565 0 50 DFAA COc1ccc(F)cc1CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 186669182 ZJLZUOZEQPMCHM-SCLBCKFNSA-N 323.408 2.944 0 50 DFAA CC[C@H](COC)NC(=O)Nc1nc(-c2ccccc2)ns1 169991601 YHTJLNFZIAAADP-LLVKDONJSA-N 306.391 2.752 0 50 DFAA CCC1CCC(NC(=O)N2CCC(C3OCCO3)CC2)CC1 170684607 AEARSLAVUYKAGC-UHFFFAOYSA-N 310.438 2.750 0 50 DFAA C[C@H](NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 170616075 YHKXKZFMWVHDCX-SUMWQHHRSA-N 322.453 2.718 0 50 DFAA CNC(=O)CC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 187832476 RMGCRKHTCAHJES-LPQFERQCSA-N 300.402 2.607 0 50 DFAA CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCC1 190538364 UKBIVSGCQMJMHH-BBRMVZONSA-N 317.433 2.694 0 50 DFAA c1nc2nc(NCc3ccoc3)cc(NCc3ccoc3)n2n1 192528462 WWFGLRFDLZAUJI-UHFFFAOYSA-N 310.317 2.535 0 50 DFAA CCN(CC)CCSCC(=O)Nc1cc(O)c(F)cc1F 585088340 XADWRUVONPXQOQ-UHFFFAOYSA-N 318.389 2.684 0 50 DFAA O=C(NCc1ccoc1)N[C@H]1CC[C@H](Nc2ccccn2)CC1 585137706 PTOOJSRKSPVGKB-SHTZXODSSA-N 314.389 2.897 0 50 DFAA O=C(C1CC1)N1CCCN(c2nccc3sccc23)CC1 681991897 NUWCFFDXSMZBSM-UHFFFAOYSA-N 301.415 2.745 0 50 DFAA CCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1 614294 WVBIAOMRJKMWTB-UHFFFAOYSA-N 324.178 2.926 0 50 DFAA COc1nc(NC[C@H](c2ccc(C)cc2)N(C)C)ncc1F 1772707764 YHZNXYHBZUCFIC-CQSZACIVSA-N 304.369 2.648 0 50 DFAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H](C(N)=O)C3)oc2c1C 15073267 FQDATDZJVWBPDU-ZDUSSCGKSA-N 314.385 2.696 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 18202688 SIJFZMFQCJLPGH-BETUJISGSA-N 304.777 2.969 0 50 DFAA Cc1[nH]c2c(CN3C[C@@H]4CCOC[C@]4(CO)C3)cccc2c1C 1857668949 GZIXWVGMOKTSLD-QFBILLFUSA-N 314.429 2.616 0 50 DFAA Cn1nc2c(c1-c1ccccc1)CCN(C[C@@H]1CCOC1)CC2 1857676506 OUWKDPDMZZNEEW-HNNXBMFYSA-N 311.429 2.524 0 50 DFAA CC(C)C(=O)Nc1cccc(NCc2cnc3ccnn3c2)c1 624179489 GEOWILFXZJUZLP-UHFFFAOYSA-N 309.373 2.936 0 50 DFAA NC(=O)c1cc(N2CCC[C@H]2c2ccc(Cl)cc2)ncn1 641281985 ZTRXVTNTPSZGHG-ZDUSSCGKSA-N 302.765 2.570 0 50 DFAA CNC(=O)c1cccnc1NC1CCC(C(F)(F)F)CC1 663372787 HHWYMEUIGGXUAM-UHFFFAOYSA-N 301.312 2.974 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)NCc1ccnc(C)n1 137172276 BIUYLQPXPKYWFP-CABCVRRESA-N 320.437 2.520 0 50 DFAA Cc1cc(Cl)c(C(=O)N[C@@H](CC(F)F)C(=O)O)cc1C 262955674 IUYXRYFGGPWHGW-JTQLQIEISA-N 305.708 2.795 0 50 DFAA Cc1cc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)no1 163399743 OWHOLNTWDSKGMT-UHFFFAOYSA-N 320.292 2.944 0 50 DFAA CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)Cc1cccnc1 931246633 IVXPEMVEVJUAFY-LBPRGKRZSA-N 301.394 2.691 0 50 DFAA C[C@@H](c1nc(-c2ccc(N3CCC(N)CC3)nc2)no1)C1CC1 843146806 ORDVGOBULPQBJM-LLVKDONJSA-N 313.405 2.573 0 50 DFAA CCc1nc(Cn2nc(C)c([C@H]3COCCN3C)c2C)cs1 852963189 XLTRZUWANKVESJ-CQSZACIVSA-N 320.462 2.570 0 50 DFAA CCc1ccccc1CC(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 872765886 IMMQRDGQLUFXJN-MAUKXSAKSA-N 301.386 2.647 0 50 DFAA Cc1cc(NC(=O)N2CCC(=Cc3cc(C)on3)CC2)on1 1875262648 HKMKTOOTLXAJJH-UHFFFAOYSA-N 302.334 2.991 0 50 DFAA O=C(O)[C@@H]1CC[C@@H](C(F)(F)F)N1Cc1ccc(F)cc1F 1875283305 NHCCMFXMVONVAX-QWRGUYRKSA-N 309.234 2.945 0 50 DFAA Cc1ccnc(NC(=O)CCC(=O)N[C@H](C)c2ccccc2)c1 1875253084 QLPBFZXDTSMYBQ-CQSZACIVSA-N 311.385 2.986 0 50 DFAA C1=CC[C@H](c2nc(-c3nc[nH]n3)nn2[C@@H]2CCSC2)CC1 1875348523 UJMKTOJNIUZHSS-WDEREUQCSA-N 302.407 2.565 0 50 DFAA CNc1nc(C)ccc1C(=O)N1CC[C@@H](Cc2nccs2)C1 890206065 KTVFKGJDXBYCDG-LBPRGKRZSA-N 316.430 2.593 0 50 DFAA COC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2C1 8843814 ZNHXUZDATLKIAJ-ZDUSSCGKSA-N 311.337 2.663 0 50 DFAA biogenic O=c1cc(-c2ccccc2)ncn1C[C@@H](O)Cc1ccccc1 2325821270 ATZZPVITTKGFBJ-KRWDZBQOSA-N 306.365 2.514 0 50 DFAA CN1CCCC[C@H]1CN=c1[nH]ccn2nc(-c3ccccc3)cc12 2325857912 UMSDZAFMNRTXDA-INIZCTEOSA-N 321.428 2.714 0 50 DFAA N=c1ccc(CNCc2ccc(-c3ccncc3)cc2F)c[nH]1 2325858598 TTYMIJHCISUJOL-UHFFFAOYSA-N 308.360 2.985 0 50 DFAA COc1cc(OC)nc(NC(=O)Nc2ccc(Cl)cc2)n1 186104 NOVYLBWJPUXDOO-UHFFFAOYSA-N 308.725 2.791 0 50 DFAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccnc1 531536 CUKKLBVMQFKWSC-UHFFFAOYSA-N 303.321 2.834 0 50 DFAA C[C@H](Sc1nnc(N)s1)C(=O)Nc1cccc(Cl)c1 610526 KUSRWAIFKPDLJX-LURJTMIESA-N 314.823 2.893 0 50 DFAA CCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 2895375 JNZRFQNFMNCMFX-UHFFFAOYSA-N 315.369 2.529 0 50 DFAA O=S(=O)(c1cc(F)ccc1F)N1CCc2ccccc2C1 6726000 QYASRHBILCEYTF-UHFFFAOYSA-N 309.337 2.712 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccccn2)[C@H](C(=O)O)C1 103303166 DGACUMXQCONDIJ-VXGBXAGGSA-N 306.362 2.507 0 50 DFAA Cc1cnc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1C 343248056 WVCSBKNNRBLYTQ-WFASDCNBSA-N 305.328 2.684 0 50 DFAA CC(=O)N[C@H]1CCN(Cc2nc(-c3ccccc3C)oc2C)C1 67649400 PJDCRLIIXNEHQQ-HNNXBMFYSA-N 313.401 2.669 0 50 DFAA Cc1cc(C)nc(N[C@H]2CCCN(Cc3cccc(O)c3)C2)n1 65408197 HJQKZEFPQLSURY-INIZCTEOSA-N 312.417 2.876 0 50 DFAA CCn1nc(C)c(NC(=O)CN[C@@H](C)Cc2cccs2)c1C 65396188 WGDZDLGVXOSDNC-NSHDSACASA-N 320.462 2.741 0 50 DFAA Cc1ccnc(NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)n1 229725478 PHYHLVFNJZGJMF-KBPBESRZSA-N 318.446 2.720 0 50 DFAA Clc1ncn(Cc2nn3c(C4CC4)nnc3s2)c1Cl 218243201 WNYAPWCCQAVBSV-UHFFFAOYSA-N 315.189 2.615 0 50 DFAA CCO[C@@H](C)c1ncc(C(=O)NCCC2(OC)CCC2)s1 354991838 BDSRFBLDOIZEMH-NSHDSACASA-N 312.435 2.930 0 50 DFAA CC(=O)c1c(F)cccc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 253428150 CBOYYPBIKRZFMT-SJCJKPOMSA-N 307.365 2.803 0 50 DFAA CN(C)C[C@]1(O)CCCN(Cc2ccc3ccccc3n2)CC1 72170115 VTRRFOMIOBVFTQ-IBGZPJMESA-N 313.445 2.513 0 50 DFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccnc3)C2)c1 253599142 ATJHYHZCKARHMH-IKGGRYGDSA-N 310.401 2.554 0 50 DFAA c1cnc(OC2CCN(c3ncnc4sccc34)CC2)cn1 330115282 FONDCFVPCCZKQP-UHFFFAOYSA-N 313.386 2.529 0 50 DFAA CCN(CC(=O)N1CCCCCC1)C(=O)c1c(C)coc1C 331499608 LOMYZVRJWWDCRH-UHFFFAOYSA-N 306.406 2.761 0 50 DFAA C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CCC(=O)O 262564034 ZNHRPMQYAMBRGK-GFCCVEGCSA-N 307.390 2.685 0 50 DFAA Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ncnn1C 126939735 KRCHFIHDRYEMPN-UHFFFAOYSA-N 322.434 2.530 0 50 DFAA C[C@@H](NC(=O)c1ccn(C)n1)c1ccc(Br)cc1 12383686 GICZOZSMOYMHGF-SECBINFHSA-N 308.179 2.674 0 50 DFAA O=C(N1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1(c2cccnc2)CCCC1 333902120 BVEPBRMHEJVTHO-ZOBUZTSGSA-N 314.429 2.513 0 50 DFAA c1ccc2c(c1)cnn2[C@H]1CCN(CCO[C@@H]2CCCCO2)C1 373117442 GLNMMZRKHJWBDM-FUHWJXTLSA-N 315.417 2.826 0 50 DFAA CN(Cc1cnc2ccccc2c1)c1cc(C2CC(N)C2)ncn1 223322882 ITYYLYBXOXENRN-UHFFFAOYSA-N 319.412 2.866 0 50 DFAA CC(C)c1nc(CCNC(=O)c2ncc(F)cc2F)cs1 192021725 IYQLLCVHOKELCN-UHFFFAOYSA-N 311.357 2.912 0 50 DFAA CN(C)C(=O)c1cccc(-c2cccc3c2OC(F)(F)O3)n1 426662040 CFVATZXPXPGJRR-UHFFFAOYSA-N 306.268 2.772 0 50 DFAA CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426412392 QLPAXJNJIHKYRG-LSDHHAIUSA-N 312.369 2.694 0 50 DFAA C[C@@H](c1ccncn1)N(C)C(=O)c1cccc(Cn2cccn2)c1 91651327 SZYLVKZEICVYNW-AWEZNQCLSA-N 321.384 2.555 0 50 DFAA COc1ccc([C@@H](NC(=O)Cc2c(C)n[nH]c2C)C2CC2)cc1 97334320 AOOVAOFEKYTBQU-SFHVURJKSA-N 313.401 2.845 0 50 DFAA CO[C@H]1CCCOC12CCN(c1cc(C3CC3)ncn1)CC2 95389545 QCGODOVVCNYRIO-HNNXBMFYSA-N 303.406 2.518 0 50 DFAA Nc1nccc(-c2cccc(C(=O)NCC3=CCCCC3)c2)n1 426563289 LWLRNXZSPLZSJO-UHFFFAOYSA-N 308.385 2.956 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2 95357987 OIUNQMCNEXGWSN-HUUCEWRRSA-N 322.399 2.840 0 50 DFAA CC1(C)CN(C(=O)c2cc(-c3ccccc3)no2)C[C@]1(C)O 91320563 KFJXCQUQYMIYQU-KRWDZBQOSA-N 300.358 2.575 0 50 DFAA CCc1cc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)on1 91390757 MTTANHPQWCLISL-DOTOQJQBSA-N 303.450 2.933 0 50 DFAA Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@H](CN)C1 178579145 QHYXMWUWFANNCE-CABCVRRESA-N 304.434 2.693 0 50 DFAA Cc1nc(CN2C[C@@H](C(=O)O)[C@H](c3cccc(F)c3)C2)cs1 91871709 KTZZRXHEFBXSKR-LSDHHAIUSA-N 320.389 2.891 0 50 DFAA CN1CCN(Cc2sc3ccccc3c2Cl)C[C@H]1C(=O)O 243932059 BRYGMSQAWCQQHN-NSHDSACASA-N 324.833 2.755 0 50 DFAA C[C@@H](c1ccncn1)N(C)CC(=O)NC1CCCCCCC1 244700955 JXEMFDSTBDIZQW-AWEZNQCLSA-N 304.438 2.699 0 50 DFAA CCC[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3nccs3)C2)CCO1 183751011 JHTDBKZIVGXFTO-MCIONIFRSA-N 324.446 2.638 0 50 DFAA CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ncc(-c2ccccc2)[nH]1 295278270 PBBPUGKNLFSREH-GOEBONIOSA-N 313.401 2.898 0 50 DFAA CCCCc1noc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)n1 299744890 VGDTYEOROOAGHA-AGIUHOORSA-N 307.394 2.630 0 50 DFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](c2ccccc2)C1 299370727 HZTOUIAXMYWMQN-DZGCQCFKSA-N 302.418 2.553 0 50 DFAA CCC[C@@H](NC(=O)c1cccnc1SC)c1nccn1C 299774244 ATOSBFAVHCZANG-GFCCVEGCSA-N 304.419 2.808 0 50 DFAA COc1cccc2c1OCCCN(Cc1nnc(C)s1)C2 299766252 HOTUBJLWXHBFRY-UHFFFAOYSA-N 305.403 2.640 0 50 DFAA Cc1cc(C(=O)N2CCC(c3cccc(O)c3)CC2)nc(C)n1 828924882 CINURQKPJNQEKB-UHFFFAOYSA-N 311.385 2.819 0 50 DFAA Cc1nc2ccc(Cl)cn2c1CN(C)C[C@@H]1CCCN1C 584901754 LWWSYMFYYOHVKZ-AWEZNQCLSA-N 306.841 2.822 0 50 DFAA CC[C@H](NC(=O)NCC1(O)CCCCC1)c1ccc(O)cc1 584884828 YHQCYRVMBNDKNF-HNNXBMFYSA-N 306.406 2.838 0 50 DFAA CN(Cc1nc2ccc(F)cc2[nH]1)C1CSCCSC1 952965320 OKRAQYYFPGMSSS-UHFFFAOYSA-N 311.451 2.982 0 50 DFAA CC(C)n1cc(NCc2ccccc2N2CCOCC2)cn1 169976294 MGUPDYAHSYAWAB-UHFFFAOYSA-N 300.406 2.913 0 50 DFAA CC1(C)COC2(CCN(C(=O)[C@H]3C[C@H]3C3CCC3)CC2)OC1 170020815 PFCXJEKFLVZFEX-GJZGRUSLSA-N 307.434 2.814 0 50 DFAA CCCS(=O)(=O)Nc1cc(-c2ccc(F)cc2F)nn1C 278897212 QJOVRGKKXAKDLB-UHFFFAOYSA-N 315.345 2.517 0 50 DFAA Cc1nn(C)c(C)c1OCC(=O)Nc1cccc(-n2cccc2)c1 170662011 SLQXVZAYBDLFKO-UHFFFAOYSA-N 324.384 2.845 0 50 DFAA COc1ccc(-c2ccc(NS(C)(=O)=O)c(C)c2)c(CO)c1 665208992 KBAIAVRJBRCMAI-UHFFFAOYSA-N 321.398 2.534 0 50 DFAA Cc1ncc(CN2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 190487440 FURXJEPVPDPNNX-INIZCTEOSA-N 316.474 2.800 0 50 DFAA CC(=O)Nc1nc(CN[C@@H]2CCO[C@H]2c2ccccc2)cs1 191946284 QINIJZWXDYOHTK-CABCVRRESA-N 317.414 2.721 0 50 DFAA CN(C)c1cc(CN2CCOc3cccc(F)c3C2)ccn1 585080256 UVRJDAYFHXRTKS-UHFFFAOYSA-N 301.365 2.681 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)C(F)(F)c2nccs2)no1 756411227 BXUDENCHZOAZBT-SNVBAGLBSA-N 313.329 2.895 0 50 DFAA CC(=O)Nc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C)cc1F 765299936 YXZFWWLPBAGKRR-UHFFFAOYSA-N 316.336 2.945 0 50 DFAA Cc1cc(CC(=O)NC[C@H]2CC(C)(C)Oc3ccccc32)on1 1615053417 SJHCXHIDNCUCAB-CYBMUJFWSA-N 314.385 2.987 0 50 DFAA CCc1cccc(CN[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c1 1615003628 YVEIOVIZHIQINY-UPTPFMHGSA-N 303.402 2.751 0 50 DFAA Cc1ccc(F)cc1CN1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 1529145662 DWQQYWXTJGEFEU-AEFFLSMTSA-N 320.408 2.505 0 50 DFAA CC(C)c1csc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704344143 PGRHOAQMQVGHPG-NVXWUHKLSA-N 323.506 2.545 0 50 DFAA CCOCCC(=O)Nc1ccc(I)cc1 4740555 KOXVOBIJAWVLLR-UHFFFAOYSA-N 319.142 2.656 0 50 DFAA COC(=O)CNC(=O)N1CCCCC[C@H]1c1ccc(C)s1 15867166 OUTVRFAFPDIMEM-LBPRGKRZSA-N 310.419 2.856 0 50 DFAA COc1ccc(C(=O)N2CCN=C2c2ccccc2)cc1OC 19594012 ZKENBONGUTYZAR-UHFFFAOYSA-N 310.353 2.606 0 50 DFAA CN(CC[C@@H]1CCS(=O)(=O)C1)Cc1cc2cc(F)ccc2[nH]1 19811644 RFBIRTDXXQVPRB-GFCCVEGCSA-N 324.421 2.564 0 50 DFAA CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2539212 NCLAAKQIHUIOIV-ZDUSSCGKSA-N 309.362 2.606 0 50 DFAA in-vitro CCOC(=O)[C@@H](CC)Sc1nnc2n(C)c3ccccc3n12 225442823 ICFRFQFGPPHOBX-GFCCVEGCSA-N 318.402 2.655 0 50 DFAA CNC(=O)c1cccnc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 225451880 AAQOYVVMZSCEJL-NXEZZACHSA-N 301.312 2.974 0 50 DFAA Cc1cccc(C)c1OC1CCN(C(=O)C2(C(=O)O)CC2)CC1 118948257 BMBPTISPKQOHPM-UHFFFAOYSA-N 317.385 2.538 0 50 DFAA COc1ccc2c(c1)CN(C(=O)[C@@H](C)N)[C@H](c1ccccc1)C2 119593491 QWRJULGKLOFKHS-ACJLOTCBSA-N 310.397 2.668 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 238017722 FFPULHCMCDSZIH-CYBMUJFWSA-N 312.369 2.952 0 50 DFAA COc1cccc(OCCN2CCC[C@H](c3ccn[nH]3)C2)c1 132786402 HXUUORONXXWFMT-AWEZNQCLSA-N 301.390 2.677 0 50 DFAA COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3ncc[nH]3)c2c1 378408712 JVNIDWIALUTYAO-MRXNPFEDSA-N 324.384 2.806 0 50 DFAA O=C(O)C1CCC(C(=O)Nc2ccc3c(n2)CCCC3)CC1 902667573 MZSXVNDCORJKNO-UHFFFAOYSA-N 302.374 2.790 0 50 DFAA COc1ccc(Cc2nc([C@@H]3CCCN3C(C)=O)no2)c(C)c1 904132977 HWVCKSGZVOJUHV-HNNXBMFYSA-N 315.373 2.661 0 50 DFAA C[C@H](NC(=O)c1ccsc1C(F)(F)F)c1ccnn1C 828891990 DRLBJCNAKYVJKP-ZETCQYMHSA-N 303.309 2.991 0 50 DFAA COc1cccn2ncc(C(=O)N(CC3CC3)c3cccnc3)c12 1875272488 MHPMZJNYYUNOLM-UHFFFAOYSA-N 322.368 2.795 0 50 DFAA C[C@@H]1CCN(c2cnccc2C(N)=O)C[C@@H]1c1ccc(O)cc1 1875295252 VFEZJRRZLTYTJJ-WBMJQRKESA-N 311.385 2.516 0 50 DFAA C[C@@H](CN1CC(c2cc(CO)on2)C1)c1cc(F)cc(F)c1 888078931 KFKYCKXFYYOEEO-JTQLQIEISA-N 308.328 2.648 0 50 DFAA O=C(N[C@H](CCO)C1CCCC1)c1cccc(-n2cccn2)c1 889106575 PJSSLROFTACRNH-QGZVFWFLSA-N 313.401 2.543 0 50 DFAA Cn1cncc1[C@@H]1C[C@H]1c1nc([C@@H]2COc3ccccc3O2)no1 1775999300 IPWMYNIZBUXFJV-HFAKWTLXSA-N 324.340 2.587 0 50 DFAA Cc1ccc(Cl)c(OC[C@H](O)Cn2nnc3c2CCCC3)c1 899906336 UYMJMIOUDOFTSA-GFCCVEGCSA-N 321.808 2.559 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)c1ccsc1CC(=O)O 381066594 SYHNASJUTCAJBZ-SECBINFHSA-N 309.412 2.798 0 50 DFAA O=S(=O)([C@@H]1C[C@H]2CCC[C@H]21)N1CC(CC(F)F)(C2CC2)C1 2325783906 JTYPVZVTCPMGJM-RAIGVLPGSA-N 319.417 2.872 0 50 DFAA CN(Cc1cccc2ccnn12)C1CCN(c2ccncc2)CC1 2325801503 LLQQNMIZWNAXAP-UHFFFAOYSA-N 321.428 2.830 0 50 DFAA Cn1cc(-c2n[nH]cc2CNCc2ccc3occc3c2)cn1 2325858738 YVIYGLCXZQUERP-UHFFFAOYSA-N 307.357 2.846 0 50 DFAA Cc1cc(NC(=O)COc2ccc(Br)cc2)no1 313711 GZKBXQIBUUOPAT-UHFFFAOYSA-N 311.135 2.763 0 50 DFAA COc1ccc(C(=O)CSc2nc3n(n2)CCCCC3)cc1 390136 SZSWLZYITRKWMX-UHFFFAOYSA-N 317.414 2.988 0 50 DFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)NC(=O)N1 432751 SDBFFACUSLCLKV-HNNXBMFYSA-N 302.374 2.966 0 50 DFAA COc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 433978 OAPCRENSXFUPNH-UHFFFAOYSA-N 314.360 2.797 0 50 DFAA COc1ccc(CCNC(=O)CCc2ccccc2)cc1OC 437169 XZQORMQJAFYPRT-UHFFFAOYSA-N 313.397 2.995 0 50 DFAA biogenic CCc1cccc2c1NC(=O)[C@@]2(O)CC(=O)c1cccs1 471683 AEIWZHYVLIGWLG-MRXNPFEDSA-N 301.367 2.723 0 50 DFAA CCOCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 1745237 YMIDLAYOCPKMAR-UHFFFAOYSA-N 303.314 2.725 0 50 DFAA Cc1ccc(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)nc1C 458760597 ZJUQSROPQOBKIT-MRXNPFEDSA-N 318.465 2.618 0 50 DFAA O=C(C[C@H](C(=O)O)n1cccn1)c1ccc(Br)cc1 4867559 BOBRQSDCDLOGPM-LLVKDONJSA-N 323.146 2.544 0 50 DFAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cnn(C)c2)C1 55360121 HQWTWVJXJYFPRM-AWEZNQCLSA-N 303.431 2.885 0 50 DFAA CCCCN(Cc1ccco1)C(=O)CNC(=O)c1ccccc1 55327687 ICVBWKUUFHREIK-UHFFFAOYSA-N 314.385 2.838 0 50 DFAA CO[C@@H](C)C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 112247986 QPBVLWAVOGDTIT-ZDUSSCGKSA-N 322.474 2.871 0 50 DFAA C/C(=C\c1ccco1)CN1CCN(c2ncnc3[nH]ccc23)CC1 67604260 DJHYEINKILSXTH-SDNWHVSQSA-N 323.400 2.776 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@H]1C21CC1 102987594 AJOZMNVJNWXRBZ-JYILRKAJSA-N 301.317 2.677 0 50 DFAA CCN1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 20608763 HANXEDWDHMPAGM-HNNXBMFYSA-N 318.461 2.916 0 50 DFAA COc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(C(=O)O)s1 65395629 BSOZMHQHDBGLHN-MRVPVSSYSA-N 319.338 2.635 0 50 DFAA COc1ccc([C@H]2CC(=O)Nc3snc(C)c32)c(OC)c1 65403684 GHOCNOAMJXRGRL-LLVKDONJSA-N 304.371 2.943 0 50 DFAA O=C1CCCCN1CC(=O)N1CCCCC[C@@H]1c1ccco1 135151654 LZOXSCDUGWOSFY-CQSZACIVSA-N 304.390 2.736 0 50 DFAA Cc1c([C@H](C)Nc2nncc(-c3cccc(F)c3)n2)cnn1C 12076229 YJELTAHBTGWXQI-JTQLQIEISA-N 312.352 2.893 0 50 DFAA O=C(Nc1ccccc1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28404221 WJTIPDZDCAPUAL-AWEZNQCLSA-N 312.344 2.813 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)C2(c3ccccc3F)CC2)n1 65369955 PLVPBFFQCUDRFC-ZDUSSCGKSA-N 315.392 2.876 0 50 DFAA Cc1nn(CCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)c(C)c1Cl 67908939 NRMFEHCXKNSYSS-RDBSUJKOSA-N 307.825 2.872 0 50 DFAA COc1cccc([C@@H](C)N(C)Cc2cccc(C(=O)O)n2)c1 218448058 PQBJGYOJMVOEIN-GFCCVEGCSA-N 300.358 2.981 0 50 DFAA OCCCCNc1cc(-c2ccccc2F)nc2ccnn12 72144006 KSTUQGPCQNPNNP-UHFFFAOYSA-N 300.337 2.720 0 50 DFAA C[C@H]1CN(CC2CCCC2)CCN1C[C@@H](O)c1ccccc1 229376411 YRCIFVHAXMVPQE-QFBILLFUSA-N 302.462 2.916 0 50 DFAA O=c1c2sccc2ncn1Cc1cc(-c2ccccn2)no1 32560975 ZCSXCKQKYDFHGQ-UHFFFAOYSA-N 310.338 2.556 0 50 DFAA CCc1ccc(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)o1 219395539 AULDTUGXIGDRNX-SFHVURJKSA-N 315.417 2.888 0 50 DFAA Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)o1 252476880 DCVNCOBWQBEEFD-XHSDSOJGSA-N 312.369 2.687 0 50 DFAA Cc1cc(NC(=O)N(C)[C@H](C)C[S@@](C)=O)c2ncccc2c1 120544486 ZXTVEBZQYXJQMP-IPQOISQHSA-N 319.430 2.774 0 50 DFAA N[C@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)c2)CC1 72154755 RSWGDNKIQRTUJT-LBPRGKRZSA-N 316.323 2.581 0 50 DFAA O=C(Nc1cnn(C(F)F)c1)c1ccc(-c2cc[nH]n2)s1 431482726 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Cc1csc(Cc2n[nH]c(=O)n2[C@H](C)c2ccc(F)cc2)n1 65419639 VMJXARVZVNSKJR-SNVBAGLBSA-N 318.377 2.676 0 50 DFAA CC1(C)CCC[C@@](O)(CNC(=O)[C@@H]2CCCc3cccnc32)C1 252507535 WNZRSXYUFNHQGQ-BEFAXECRSA-N 316.445 2.949 0 50 DFAA CS(=O)(=O)Nc1ccn(Cc2c(Cl)cccc2Cl)n1 2803965 OQRBXAGSPZDQTJ-UHFFFAOYSA-N 320.201 2.610 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)c2ccccc21 317117457 CNSPTBCPYHYMGR-TZMCWYRMSA-N 303.358 2.551 0 50 DFAA Cc1cccc2nc(CN(C)C[C@@H]3CCc4nccn4C3)cn12 328623601 BYOCGFCOBPSTQY-HNNXBMFYSA-N 309.417 2.534 0 50 DFAA C[C@H](Oc1ccc2c(c1)CCCNC2=O)C(=O)Nc1ccccc1 253421425 VJPHWSIBRWYPBE-ZDUSSCGKSA-N 324.380 2.769 0 50 DFAA CC(C)c1nc(=NC[C@@H]2CCN(C)[C@H]2c2cccnc2)s[nH]1 328630617 QAQJRINOTNLQAO-KBPBESRZSA-N 317.462 2.583 0 50 DFAA O=C(Cn1ncc2ccccc21)N1CC[C@@H](O)c2ccccc2C1 361128467 ZFKOJSKMYYPWGC-GOSISDBHSA-N 321.380 2.502 0 50 DFAA COc1cccc(NC(=O)N2CC[C@H](CN3CCCC3)C2)c1 153235195 JFNRGHSCJAJQDJ-CQSZACIVSA-N 303.406 2.645 0 50 DFAA O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@H]1c1ccccn1 216438297 CMFFOGJWJXFVNK-INIZCTEOSA-N 307.357 2.720 0 50 DFAA Cc1cc(N2CC[C@](O)(c3ccc(F)cc3)C2)nc(C2CC2)n1 375034680 CYEYGPOTRXGSQI-GOSISDBHSA-N 313.376 2.899 0 50 DFAA C[C@H](O)CNCCNCc1ccc(-c2ccc(Cl)cc2)o1 32496992 HIBCYRSGPIIOOU-LBPRGKRZSA-N 308.809 2.660 0 50 DFAA C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)c2cccnc2O1 158444679 HVLSADJCVTZQQX-GFCCVEGCSA-N 312.373 2.821 0 50 DFAA Cc1cccc(S(=O)(=O)N[C@H]2CCCC23CCOCC3)c1 282239302 IHPXQVIVFFKXBI-HNNXBMFYSA-N 309.431 2.623 0 50 DFAA Cn1ccnc1[C@H](O)C1CCN(CCCc2ccccc2)CC1 215905575 YRJLHGRHTACATG-GOSISDBHSA-N 313.445 2.798 0 50 DFAA CC(C)n1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)n1 332183553 STAJZDPCHKQIJX-UHFFFAOYSA-N 320.343 3.332 0 50 DFAA COC(=O)CN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71752684 DHQWEHAPMBSERC-KRWDZBQOSA-N 322.424 2.531 0 50 DFAA C[C@H](Nc1ccc(N2CCC2=O)cc1)C(=O)NCc1ccccc1 280942540 FSUJFQDDKPDTGS-AWEZNQCLSA-N 323.396 2.540 0 50 DFAA Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CCCC(=O)O 237028503 AFZCFZJAZKTOCW-UHFFFAOYSA-N 312.369 2.994 0 50 DFAA CCCc1cc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)no1 77407578 KSMFIXTWNLETNH-CYBMUJFWSA-N 302.378 2.528 0 50 DFAA Cc1cc(C)cc(NC(=S)N2CCC3(CC2)OCCO3)c1 13784711 MLNLLLJPFNJJNT-UHFFFAOYSA-N 306.431 2.839 0 50 DFAA CC[C@H](CC1CCCC1)C(=O)N1CCOC[C@H]1c1ncon1 334125908 PGMZHYQVSXUTIH-KGLIPLIRSA-N 307.394 2.576 0 50 DFAA CCC[C@H](N[C@@H]1CCc2nc(COC)nn2C1)C1CCCC1 449191884 KUPUHSJFHGPCHX-CABCVRRESA-N 306.454 2.688 0 50 DFAA CC(C)n1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)O)c2)n1 263329488 POFUOWBDGWWMCZ-LLVKDONJSA-N 301.346 2.904 0 50 DFAA O=C(O)c1cccc(N2CCC(Nc3ccc(F)cc3)CC2)n1 263395793 HQEVEXMJMWIOTI-UHFFFAOYSA-N 315.348 3.000 0 50 DFAA CCOc1ccc(NC(=O)C[C@H]2CCCC(=O)N2)cc1Cl 289009096 ZVUWJEBFIIZGRO-SNVBAGLBSA-N 310.781 2.736 0 50 DFAA Cc1cc(C)c2c(CC(=O)N3CCc4n[nH]cc4C3)coc2c1 426396684 WCEZWFHXLXRHPA-UHFFFAOYSA-N 309.369 2.900 0 50 DFAA O=C(O)[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)c2ccccc21 177473570 TZPCXXRNCRLHER-CABCVRRESA-N 323.348 2.768 0 50 DFAA CCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(C)=O)cc1 95501490 CDDHVWMCHQRUFS-UHFFFAOYSA-N 302.334 2.635 0 50 DFAA Cc1cccnc1NCCNC(=O)c1ccc2cccc(F)c2n1 91494353 UCAAJMIOVPWHHZ-UHFFFAOYSA-N 324.359 2.919 0 50 DFAA O=C(NCc1ccc2sccc2c1)[C@H]1CC(=O)N(C2CC2)C1 91655910 DQNMPAUDCYHWIQ-ZDUSSCGKSA-N 314.410 2.528 0 50 DFAA COc1ccc(OC)c([C@H](C)Nc2nc(N)nc(C)c2C)c1 91536664 SIZPNUJGQWLCOR-NSHDSACASA-N 302.378 2.866 0 50 DFAA O=C(Cn1ccc2ncccc2c1=O)NC1CCCCCCC1 95356200 RLXXCEKJYQETKV-UHFFFAOYSA-N 313.401 2.626 0 50 DFAA O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCc2[nH]cnc2C1 96133267 MKNNUFOXSYPUSI-UHFFFAOYSA-N 322.343 2.809 0 50 DFAA CN1CCC[C@@]2(CCN(CCCCOc3ccccc3)C2)C1=O 91563066 LVENRCABIGWGTE-IBGZPJMESA-N 316.445 2.790 0 50 DFAA C/C(=C\c1ccccc1)CN1CCC[C@@H](n2cc(CO)nn2)C1 293727805 UNLCCOREDOKFEF-SPQRHKFCSA-N 312.417 2.511 0 50 DFAA Cc1nccn1CCCN1CCC[C@@H](C(=O)c2ccccn2)C1 240163608 JCHDGFBLJYHWFT-MRXNPFEDSA-N 312.417 2.572 0 50 DFAA CN1CCc2ncnc(N3CCC[C@H]3c3ccc(F)cc3)c2C1 248099440 ZTDQHCYWWLVHQY-KRWDZBQOSA-N 312.392 2.945 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H]2COc3ccccc3C2=O)c(C)c1 181555931 MDPGEYWBFRVCCT-HNNXBMFYSA-N 309.365 2.986 0 50 DFAA CCO[C@H]1COC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1 534661274 VZMZCUHPFXYLGU-GJZGRUSLSA-N 323.820 2.682 0 50 DFAA CC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1ncc(C)[nH]1 822650382 UASBNPJJSLPFMS-CYBMUJFWSA-N 307.419 2.765 0 50 DFAA COc1ccc(OCc2n[nH]c(CN3CCCCCC3)n2)cc1 824684121 WMARFBXJJGSEAP-UHFFFAOYSA-N 316.405 2.768 0 50 DFAA Cc1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)n1C 629281511 CJHSBWIJYMRCHT-UHFFFAOYSA-N 319.308 2.548 0 50 DFAA CCC1(CC)CN([C@H]2CCC(=O)N(CC3CC3)CC2)CCO1 670452599 KUTRXCQRYMZYJG-INIZCTEOSA-N 308.466 2.669 0 50 DFAA O=C(Nc1ccc2c(c1)CCCO2)c1cc(Br)n[nH]1 1411735419 QWSRZHPMMAVWPB-UHFFFAOYSA-N 322.162 2.750 0 50 DFAA CC(C)c1cccc(CNC(=O)NCC2([S@](C)=O)CCC2)c1 408515550 YLEOOORKBADLMA-QFIPXVFZSA-N 322.474 2.910 0 50 DFAA Cc1ccc(-c2cc(C(=O)NC(C)(C)C(C)(C)O)on2)cc1 271390897 VENKRNLXQDLUSK-UHFFFAOYSA-N 302.374 2.929 0 50 DFAA C[C@@H]1OCCN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1C 166299065 WXCJYGSKGDQUOT-SOLBZPMBSA-N 316.445 2.534 0 50 DFAA NC(=O)C[C@H]1CCCN(CCCc2c(F)cccc2Cl)C1 170607080 CWXYBAKSDAIXOE-GFCCVEGCSA-N 312.816 2.999 0 50 DFAA Cc1cnc(NC(=O)NCC[C@H]2C(=O)Nc3ccccc32)s1 192624934 GPVIVEKEPFAGRO-LLVKDONJSA-N 316.386 2.699 0 50 DFAA O=C1CC(NC(=O)c2cc(-c3ccco3)nc3ccccc23)C1 1637361070 YGKLVBUJDBWGDQ-UHFFFAOYSA-N 306.321 2.956 0 50 DFAA Fc1ccccc1-c1noc([C@@H]2CC[C@H](Cn3ccnc3)O2)n1 1615615483 XUERNZMQJVIOEY-RISCZKNCSA-N 314.320 2.993 0 50 DFAA Cn1ccc2c(C(=O)N3CCC(Cc4ncon4)CC3)cccc21 1616039417 ZGMSMBOFFDNREE-UHFFFAOYSA-N 324.384 2.656 0 50 DFAA COc1ccc2c(c1)CCOC21CCN(C[C@@H]2CCOC2)CC1 1704338826 GWGDXSQXECHSHE-HNNXBMFYSA-N 317.429 2.596 0 50 DFAA Nc1c(N)c(Br)c(F)c(F)c1Br 147901697 CVQSLVCQGXUJQU-UHFFFAOYSA-N 301.916 2.654 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CC2CCN1CC2 1775983473 YPGFMCKOWXHLJO-KRWDZBQOSA-N 315.392 2.750 0 50 DFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(C)=O)C1 11945942 AVSQPWYTBDSNJM-QGZVFWFLSA-N 307.365 2.560 0 50 DFAA COc1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 12864890 QFSNAZBVQILGKL-UHFFFAOYSA-N 318.417 2.918 0 50 DFAA Cc1cc(C)n2ncc(-c3nccn3-c3cnn(C(C)C)c3)c2n1 1857687220 RSASZWNQFFQPMY-UHFFFAOYSA-N 321.388 2.976 0 50 DFAA CCCC[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H](C2CC2)O1 1857721911 LUPYJPWWQXLMDS-IAGOWNOFSA-N 319.449 2.860 0 50 DFAA CCOC(=O)c1cnc2c(CC)cccc2c1NC[C@@H](C)O 131535 ZZAIYHMIAAWMQV-LLVKDONJSA-N 302.374 2.767 0 50 DFAA O=C(NCCCc1nc2ccccc2[nH]1)Nc1ccc(F)cn1 122429085 JTBIXJLJCCBMAS-UHFFFAOYSA-N 313.336 2.851 0 50 DFAA CN(C)Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cn1 339284357 YHDAVISVNDCRMN-IBGZPJMESA-N 323.440 2.773 0 50 DFAA CC(C)CN(CCC(=O)O)C(=O)c1ccc2c(c1)N=S=N2 262842737 ANVWQOZRBXXWJL-UHFFFAOYSA-N 307.375 2.986 0 50 DFAA COCCCCN(C)C(=O)c1ccc(CN2CCCCC2)o1 822958457 VBOPXGOKHXTCPO-UHFFFAOYSA-N 308.422 2.764 0 50 DFAA c1ccc(-c2nc3c(c(N[C@@H]4CCn5ccnc54)n2)CCC3)nc1 828357469 ICRSQHOIZVHWHL-OAHLLOKOSA-N 318.384 2.781 0 50 DFAA CC(C)Cc1cc(=NCc2cncc(Br)c2)[nH]cn1 1875288095 NGLGJPANSDFBGJ-UHFFFAOYSA-N 321.222 2.867 0 50 DFAA C[C@@]1(C(=O)NCCc2c[nH]c3cc(F)cc(F)c23)CCC[C@H]1N 1875292229 AQOXPMWRANLDPF-RHSMWYFYSA-N 321.371 2.622 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1ccccc1N(C)C 888099889 YUYOBBLGZMDZOX-NSHDSACASA-N 300.406 2.512 0 50 DFAA C=CC(=O)NCCC(=O)N1CCC(c2cc(C)cc(C)c2)CC1 891291655 YWVVPYQTYFUBNN-UHFFFAOYSA-N 314.429 2.702 0 50 DFAA CC[C@H](C)Cc1nc(-c2ccnn2C(C)C)n(CCCO)n1 2100545463 WMTMVFBTTRHORF-ZDUSSCGKSA-N 305.426 2.694 0 50 DFAA CO[C@H](C(=O)O)C1CCN(Cc2c(F)ccc3[nH]ccc23)CC1 2325787950 DHSJBWAZYVBNJP-INIZCTEOSA-N 320.364 2.619 0 50 DFAA CC(C)c1ncc(CN2C[C@@H](CC(=O)O)OCC2(C)C)s1 2325788072 KGUFXKBISJNCTL-LLVKDONJSA-N 312.435 2.721 0 50 DFAA Clc1ccc2[nH]c(CN3CC[C@@H](c4cnn[nH]4)C3)cc2c1 2325788428 FXFARHSSLAYDNI-SNVBAGLBSA-N 301.781 2.929 0 50 DFAA CC(C)c1c(C(=O)N=c2cc(CC(C)(C)C)o[nH]2)cnn1C 2325794799 RSDSGSHTONOOTD-UHFFFAOYSA-N 304.394 2.794 0 50 DFAA Cc1nc2c(c(NCc3noc(-c4ccco4)n3)n1)CCCC2 952877358 OQSDTFRCXVASAY-UHFFFAOYSA-N 311.345 2.919 0 50 DFAA Cc1ccc(CCS(=O)(=O)c2ccc(C(C)C)cc2)c[n+]1C 267932 KMVSKDJGJANZMG-UHFFFAOYSA-N 318.462 2.959 0 50 DFAA COc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl 528443 DJCSRXNBLXMVFQ-UHFFFAOYSA-N 303.811 2.960 0 50 DFAA Cc1nc(N2CC(OCc3ccccc3F)C2)nc(C)c1C 2356153032 OCTXGBJXDPZADG-UHFFFAOYSA-N 301.365 2.946 0 50 DFAA CCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1 2847121 VUWARVVMIAAMOY-UHFFFAOYSA-N 308.341 2.858 0 50 DFAA CN(C)CCOC(=O)[C@@H]1CC2=C(CCCC2(C)C)C[C@@H]1C(=O)O 4023254 SQDFUMNRZHDLGQ-UONOGXRCSA-N 323.433 2.709 0 50 DFAA biogenic CN(C)C[C@H]1[C@@H]2CN(C(=O)c3scc4c3CCCC4)C[C@H]12 101740124 SRQYVFDNTIHERX-QKDCVEJESA-N 304.459 2.507 0 50 DFAA CSc1ncc(C(=O)Nc2ccnn2[C@@H](C)C(C)C)c(O)n1 55118779 IBHKEVXQJXMVFI-VIFPVBQESA-N 321.406 2.570 0 50 DFAA CC(C)[C@H](O)CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 245598891 UDKPPSRLUSTZDO-INMHGKMJSA-N 324.852 2.608 0 50 DFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCCC2=CCCC2)C1 245520915 SWYLBXNHQZVPGZ-PZPWOCDFSA-N 312.479 2.866 0 50 DFAA O=C(N1CCc2c(Br)cccc2C1)C(F)(F)F 114561906 YCUBYMZVELORFT-UHFFFAOYSA-N 308.097 2.896 0 50 DFAA CCSCCn1c(=O)n(CC2CC2)c2ccc(C(=O)O)cc21 55041995 MXOLKDDWLOIQPJ-UHFFFAOYSA-N 320.414 2.664 0 50 DFAA COC[C@@H]1C[C@@H](OC)CN1Cc1cc2cc(OC)ccc2o1 343812406 CBCKFCSZRKISCD-DZGCQCFKSA-N 305.374 2.677 0 50 DFAA CCc1nc(C)cn1S(=O)(=O)c1ccc(OC)c(C)c1C 27755674 MNOOMIBQCXKTKX-UHFFFAOYSA-N 308.403 2.616 0 50 DFAA CC1(C)CNC(=O)c2nc(-c3cnc4ccccc4c3)[nH]c2C1 65536683 AINBGPHUHABNMH-UHFFFAOYSA-N 306.369 2.937 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccccc1-n1cccn1 248117717 JBOVCFJYUAMDCK-ZWKOTPCHSA-N 324.428 2.571 0 50 DFAA CN(C)CCCn1ccnc1-c1ccc(-c2cc[nH]n2)s1 67692688 DRNRTRDMTUNZQJ-UHFFFAOYSA-N 301.419 2.953 0 50 DFAA O=C(CN1CCOCC1)N1c2ccccc2CCc2ccccc21 20149715 PPCWEFYIIJLTLG-UHFFFAOYSA-N 322.408 2.782 0 50 DFAA biogenic COc1ccccc1CCC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 279444024 OXUNNTZZNXINSQ-SUMWQHHRSA-N 303.402 2.654 0 50 DFAA c1cc(CN[C@H]2CCN3CCCC[C@@H]23)c2c(c1)OCCCO2 229857621 WLTKDZQSBBAROA-HOTGVXAUSA-N 302.418 2.564 0 50 DFAA CCN1CCO[C@H](CCNC(=O)c2cccc3ccccc23)C1 67676301 JYOVNCOUUMMDHS-MRXNPFEDSA-N 312.413 2.680 0 50 DFAA C[C@H](CCn1cccn1)Nc1nncc(-c2cccc(F)c2)n1 12579043 LQXHARSLACRJDD-GFCCVEGCSA-N 312.352 2.765 0 50 DFAA Cc1cc(C(=O)N2N=C(C3CC3)C[C@]2(O)C(F)F)cs1 4124164 WWWCPCFJOKNQRT-ZDUSSCGKSA-N 300.330 2.622 0 50 DFAA Cc1nc(C)c(CN2CCC(Oc3cnccn3)CC2)s1 331168985 UAQIIDZGCNGVLU-UHFFFAOYSA-N 304.419 2.593 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NC2C[C@@H](C)O[C@H](C)C2)cn1 328636532 OBJDEWOBAPAEQO-RYPCIWMOSA-N 320.437 2.609 0 50 DFAA C[C@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1O 253370728 VFZHFIZACVLOAS-TVQRCGJNSA-N 324.222 2.528 0 50 DFAA CCOP(=O)(OCC)[C@@H](F)S(=O)(=O)c1ccccc1 36470237 HUOWVYVTKZRXGM-LLVKDONJSA-N 310.283 2.980 0 50 DFAA OC[C@@]1(c2ccccc2)CCN(c2ncnc3c(F)cccc23)C1 360034350 YRTMGFBBBHYEDQ-LJQANCHMSA-N 323.371 2.909 0 50 DFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C(=O)O)o1 261658515 GBJKEKWVXPDDPB-NSHDSACASA-N 317.341 2.690 0 50 DFAA CSCc1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)o1 77303965 AJFKKFXISVBVLB-NSHDSACASA-N 305.403 2.886 0 50 DFAA COC[C@@]1(CNCc2cccnc2C)OCCc2ccccc21 377729902 ZGXONYGDEFOUPY-LJQANCHMSA-N 312.413 2.594 0 50 DFAA CCCC[C@@H](Nc1ncnc2c1CCNCC2)c1cccnc1 72447317 LTBJWVWKTTZTRS-MRXNPFEDSA-N 311.433 2.903 0 50 DFAA CC(C)c1cc(C(=O)NCCc2noc(C3CCCC3)n2)no1 82134219 QYLYKKHOGFLGLJ-UHFFFAOYSA-N 318.377 2.811 0 50 DFAA COc1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)cn1 426604222 DQCLSQJPKUWDPF-INIZCTEOSA-N 312.369 2.666 0 50 DFAA Cc1cc(F)ccc1CN1CCC[C@@H](N(C)CC(=O)O)CC1 263523233 RZIHZNLSVRMLTO-MRXNPFEDSA-N 308.397 2.505 0 50 DFAA CCN(Cc1ccccc1F)C(=O)c1c(C)[nH]c(C)cc1=O 426484841 QZPAVCRTFRBAPD-UHFFFAOYSA-N 302.349 2.793 0 50 DFAA C[C@H](NC(=O)c1scc2c1CCCC2)c1nnc(N)s1 220357816 HGIHELCBGUBUKN-ZETCQYMHSA-N 308.432 2.552 0 50 DFAA COc1cc(C(=O)N2CC(c3ccncc3)C2)c2ccccc2n1 426544993 JFUNVAKFSRWTKQ-UHFFFAOYSA-N 319.364 2.878 0 50 DFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1ccc(Cl)c(C)c1)CC2 426722707 UZVXMYLTXKHLGR-UKPHBRMFSA-N 323.820 2.793 0 50 DFAA CC(C)n1ccnc1[C@H]1CCCN(c2ccc(C(=O)O)cn2)C1 95387345 FBTRQMSZWXQFAL-AWEZNQCLSA-N 314.389 2.941 0 50 DFAA CCCCn1nc(-c2ccco2)nc1[C@@H]1CCCN(C(N)=O)C1 96151475 BCRZVQCFIMUAGH-GFCCVEGCSA-N 317.393 2.596 0 50 DFAA CC(C)n1cc(CN(C)C(=O)[C@H]2COc3ccccc3C2)cn1 95523855 GWMMHVMYTBFFOJ-MRXNPFEDSA-N 313.401 2.674 0 50 DFAA COc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c(C)c1 290793947 TXHJVHOSFUHJTM-CYBMUJFWSA-N 319.792 2.941 0 50 DFAA O=C(NC1CCN(Cc2ccc(F)c(Cl)c2)CC1)C1CC1 179911665 APHQWXXOKLTUJQ-UHFFFAOYSA-N 310.800 2.970 0 50 DFAA CC(C)Cn1ncnc1CN1CCC[C@H]1COc1ccccc1 296347932 QFJODFABWKCDQO-INIZCTEOSA-N 314.433 2.978 0 50 DFAA Cc1ccnc(NC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 184063327 MFNHBVKMUOPQLV-CQSZACIVSA-N 324.384 2.596 0 50 DFAA CCOc1ccc(CN2CCC(=O)N(CC3CC3)CC2)cc1 299774293 BPFYULWQSCSANA-UHFFFAOYSA-N 302.418 2.530 0 50 DFAA CCOCc1cc(CN(C)Cc2cnn(C)c2C)ccc1OC 560046095 PGBRCIDJSXPROS-UHFFFAOYSA-N 317.433 2.906 0 50 DFAA Nc1nc(CNC(=O)c2ccc(N3CCCCC3)cc2)cs1 828157951 AUAJXBQPUPFKSS-UHFFFAOYSA-N 316.430 2.646 0 50 DFAA Cc1ccoc1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 952980934 LKJBXZSHRSGLMC-LBPRGKRZSA-N 318.339 2.982 0 50 DFAA CC(C)CC1(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)CC1 1565511302 HYLQBBQTSUWRLY-WFASDCNBSA-N 306.406 2.692 0 50 DFAA CC(C)C[C@@H]1C[C@H](N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCO1 408012381 HYNVRZSPGISFNO-ZJIFWQFVSA-N 317.495 2.526 0 50 DFAA COC1(c2noc(-c3csc(NC(C)=O)n3)n2)CCCC1 273923420 JGIBCYZSBLLREP-UHFFFAOYSA-N 308.363 2.567 0 50 DFAA CN1C(=O)CC[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 170085336 DDHBOODRTYXAGW-RDJZCZTQSA-N 318.392 2.794 0 50 DFAA C[C@@H](CN(C(=O)c1cc2cc(F)ccc2o1)C1CC1)C(=O)O 170067865 LUDLHMLXYOFBCQ-VIFPVBQESA-N 305.305 2.897 0 50 DFAA CC[C@@H]1CN(c2ccccc2)CCN1c1cc(C)nc2ncnn12 170596002 JKTNSIREWSQQOS-OAHLLOKOSA-N 322.416 2.538 0 50 DFAA Cc1ncc(CC(=O)N2CC(c3nc4ccccc4s3)C2)o1 639931857 GZOFHCNSRNCTAJ-UHFFFAOYSA-N 313.382 2.761 0 50 DFAA CC[C@@H](NC(=O)NCc1ccc2ncccc2c1)[C@H]1CCCO1 194276271 RXYJCGMQXSQMRV-NVXWUHKLSA-N 313.401 2.992 0 50 DFAA 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323.400 2.611 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n1 408517289 FPPHKMAUSIVNBD-HZPDHXFCSA-N 324.428 2.672 0 50 DFAA CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc3sccc3c1)C2 75911823 RLYQMGUSDZJKFL-KGLIPLIRSA-N 314.410 2.594 0 50 DFAA Cc1nnc([C@@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)s1 273705877 PIGNRFUFUSLQFI-MRVPVSSYSA-N 319.386 2.758 0 50 DFAA C[C@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275721369 ZASXXEOYLUDEFR-XOKHGSTOSA-N 303.406 2.844 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)NCc1nc2cc(Cl)ccc2n1C 277103787 SVORXTWXEBDPSP-PWSUYJOCSA-N 321.808 2.658 0 50 DFAA CC[C@H]1C(=O)N(CC)CCN1c1ccnc(-c2ccccc2)n1 170601084 FRAUVYLBHPCBSV-HNNXBMFYSA-N 310.401 2.591 0 50 DFAA CCC[C@H](N)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 170673688 GDJYNAHOXFNHHL-MFKMUULPSA-N 302.340 2.880 0 50 DFAA Cc1cc(NCCN2CCCOCC2)c2cccc(F)c2n1 188491960 QCHUHXPIIQYFLU-UHFFFAOYSA-N 303.381 2.817 0 50 DFAA C[C@@]1(C(=O)NCc2ccnc(-c3ccccc3)c2)CCCNC1 638731761 RERXOTFIAJQOOO-LJQANCHMSA-N 309.413 2.755 0 50 DFAA Cc1ncc(C(=O)N2C[C@@H](C)Oc3ncccc32)c(C(C)C)n1 189060508 OGUWXWURWDFXFY-LLVKDONJSA-N 312.373 2.731 0 50 DFAA CC(C)COc1cccc(Cn2cc(Cn3ccnc3)nn2)c1 641133976 HCRGWNGMHVTUOU-UHFFFAOYSA-N 311.389 2.606 0 50 DFAA O=C(c1ncc(F)cc1F)N1CC[C@H](Nc2ccccc2)C1 192047632 LQXJTIDEFLZFKR-ZDUSSCGKSA-N 303.312 2.686 0 50 DFAA CC(C)Cn1ncc2cc(C(=O)N3CC[C@@H]3C(C)C)cnc21 678878716 SDHXAJUULUWDKH-OAHLLOKOSA-N 300.406 2.958 0 50 DFAA Cn1cc(NC[C@@H]2CCCO[C@H]2c2nccn2C)c(C2CC2)n1 657472246 KQVCAMQTYQXBSB-XJKSGUPXSA-N 315.421 2.611 0 50 DFAA Cn1ccnc1NC(=O)c1cc(-n2cccn2)ccc1Cl 1506417810 PAJAHNAFEZIIAT-UHFFFAOYSA-N 301.737 2.512 0 50 DFAA Cc1cc(F)ccc1N1CCC(N[C@H]2CC[C@@H](N)CC2)CC1 1506428597 QCCMQWFAAXOUDB-IYBDPMFKSA-N 305.441 2.962 0 50 DFAA O=C(CC1CCCCC1)N[C@@H]1COC[C@H]1Cc1ccncc1 1615737119 NVRZVAIVFWMVRX-IAGOWNOFSA-N 302.418 2.726 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](N[C@H]2CCSC2)C1 225475574 WKEAIDRPSZANEU-UPJWGTAASA-N 300.468 2.917 0 50 DFAA Cc1ccccc1OCCCN(C)C[C@H]1CCC(=O)N(C)C1 1775978327 RLTDKEYCSUBSMQ-MRXNPFEDSA-N 304.434 2.564 0 50 DFAA COCc1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)o1 1772702637 UONYCIUDFCINRO-UHFFFAOYSA-N 301.268 2.871 0 50 DFAA CC[C@H](C)CN1CCc2nnc(CCc3ccccc3)n2CC1 11787798 BPMLAZWJCGUKHY-INIZCTEOSA-N 312.461 2.968 0 50 DFAA C[C@H]1CC=CC[C@@H]1NC(=O)NC[C@H]1CCCO[C@@H]1c1cn[nH]c1 1857526975 GWQUVQSSMDCEAZ-XRGAULLZSA-N 318.421 2.531 0 50 DFAA Cc1cnnc(N2CCN(c3ccc(F)cc3F)CC2)c1C 1857674969 FUQMCPPJXNDJOR-UHFFFAOYSA-N 304.344 2.698 0 50 DFAA c1ccc(-c2nc(-c3nccn3CC[C@@H]3CNCCO3)co2)cc1 1857699509 WFUNGTUBLFSGNJ-OAHLLOKOSA-N 324.384 2.584 0 50 DFAA O[C@H]1CN(c2nccs2)C[C@H]1Cc1ccnc2ccccc12 1857727563 UMPNJSKCIQVLJH-CJNGLKHVSA-N 311.410 2.731 0 50 DFAA Brc1ccccc1-c1noc(-c2cnccn2)n1 225605427 UDGSZGXWAWDKHP-UHFFFAOYSA-N 303.119 2.956 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 350729 XWKDFGTZUGEMJE-ZWKOTPCHSA-N 315.369 2.950 0 50 DFAA Cc1cc(C)c2c(c1)CN(C(=O)N[C@H](C)c1ccn(C)n1)CC2 332112326 JKYGBGSPQXODIN-CQSZACIVSA-N 312.417 2.866 0 50 DFAA CC[C@@H](C)c1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)on1 236889146 HBNAIZSXADYODD-VXGBXAGGSA-N 308.378 2.905 0 50 DFAA Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)cc(C)c1OCC(=O)O 237855287 MMOGNMVVVBEHMD-KBPBESRZSA-N 317.385 2.639 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC1CCSCC1 250826300 HQGABNDIDLOSIG-MJBXVCDLSA-N 311.447 2.764 0 50 DFAA CCOC(=O)C[C@H]1CCCN1C(=O)c1c[nH]c2cc(F)ccc12 154860228 BDOBFVOLGUOGTK-GFCCVEGCSA-N 318.348 2.865 0 50 DFAA Cc1cc(C)cc([C@H](NC(=O)c2cc(Cl)cn2C)C(=O)O)c1 263068304 OZQRVCFCLWORCT-AWEZNQCLSA-N 320.776 2.851 0 50 DFAA Cc1cccc(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)n1 264322335 QQTGECYNCYBWRD-GOSISDBHSA-N 323.440 2.684 0 50 DFAA c1ccc([C@@H](NC2CCN(c3cccnn3)CC2)C2CC2)nc1 903160406 LMHRXMUJEVWAOS-SFHVURJKSA-N 309.417 2.581 0 50 DFAA O=C(Nc1cccc2c1OCCCO2)c1cc(C(F)F)ncn1 828609838 WGFHMBHJCBAHRT-UHFFFAOYSA-N 321.283 2.828 0 50 DFAA CC(C)=CCN(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 952883060 MIZCFXBAHHIQJS-NSHDSACASA-N 302.344 2.801 0 50 DFAA CCc1nnc(COc2cnn(Cc3ccc(F)cc3)c2)o1 1875281067 NRNCOQGMNBHKMT-UHFFFAOYSA-N 302.309 2.595 0 50 DFAA COC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCOC2(CCC2)C1 889329592 BSRDESDRYIISFJ-IAGOWNOFSA-N 317.429 2.710 0 50 DFAA O=C(Cc1ccc(Br)cc1)NCc1ccncc1 456275 ZBRZKVOFAOJDSH-UHFFFAOYSA-N 305.175 2.703 0 50 DFAA CCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 2504021 UPPPLUABFZWGHX-UHFFFAOYSA-N 318.442 2.945 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 18058466 RHQNHNCJJDZFBL-GJZGRUSLSA-N 313.353 2.709 0 50 DFAA Cc1ccccc1[C@H]([C@H](C)N=c1[nH]cnc2cnccc12)N(C)C 2325751986 NPURETQAIPKSSF-KSSFIOAISA-N 321.428 2.858 0 50 DFAA O=C(CC[C@@H]1Cc2ccccc2CN1)Nc1c[nH]c2nccc-2c1 2325795909 DPWIOVBRLOVOCO-MRXNPFEDSA-N 320.396 2.948 0 50 DFAA CN(Cc1cc2cnccc2[nH]1)[C@@H](c1ccccc1)c1nc[nH]n1 2325860603 NDDSDPUOKLANCC-KRWDZBQOSA-N 318.384 2.902 0 50 DFAA NCc1ccc2c(c1)CC[C@H]2Nc1nc(O)c2ccccc2n1 2325865589 IGAWOPQWBAQYAU-MRXNPFEDSA-N 306.369 2.894 0 50 DFAA CCCn1c2ccccc2c2nnc(SCC(=O)OC)nc21 105413 DIJXUJCKKAJGHP-UHFFFAOYSA-N 316.386 2.655 0 50 DFAA COc1cccc(CNCc2ccc3c(c2)OCO3)c1OC 200729 ZVVCZLCTKSAOKL-UHFFFAOYSA-N 301.342 2.722 0 50 DFAA biogenic O=C(Nc1ccccc1C(=O)O)c1ccc(Br)o1 363492 JLRIYLNGSBNQBF-UHFFFAOYSA-N 310.103 2.993 0 50 DFAA O=C(NCc1cccnc1)C(=O)Nc1cccc(Cl)c1Cl 2329070 CLQGTHWDMZCLHN-UHFFFAOYSA-N 324.167 2.643 0 50 DFAA COc1ccccc1OCC(=O)Nc1ccc(N(C)C)cc1 2921455 FPRGCEPLRYOLLW-UHFFFAOYSA-N 300.358 2.779 0 50 DFAA CC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 6700208 BOGFBGPZYUFFII-UHFFFAOYSA-N 314.307 2.902 0 50 DFAA CC[C@@H]1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1 6702592 CWXJJHWLPMEXKW-CQSZACIVSA-N 309.431 2.642 0 50 DFAA CCCCNC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1 55133487 GSSZPNHNJDVGJT-UHFFFAOYSA-N 307.442 2.722 0 50 DFAA COc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)cc1 57002347 DBPOXIVHDAWLSU-UHFFFAOYSA-N 316.426 2.715 0 50 DFAA Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 412157228 GBBBBEMODIRFJT-KURKYZTESA-N 309.413 2.986 0 50 DFAA C[C@@H]1CN(C(=O)Nc2nccs2)CCN1Cc1ccccc1 414408165 MDRUWOOGRORNCE-CYBMUJFWSA-N 316.430 2.881 0 50 DFAA CC[C@@H](CO)N(Cc1ccsc1)Cc1cccnc1NC 55358631 XWUSVCMGLVYGGE-HNNXBMFYSA-N 305.447 2.958 0 50 DFAA CCCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100662770 YRFSSMHNFATQFW-UHFFFAOYSA-N 314.385 2.573 0 50 DFAA biogenic Clc1ccccc1C[C@H]1CN(CCCn2cccn2)CCO1 20295708 FMUFOGGJFKSAPL-INIZCTEOSA-N 319.836 2.870 0 50 DFAA CO[C@H](CC(C)C)CN1CCC(N(C)c2ccc(C)nn2)CC1 419205270 JPQAXYUVWAKKLI-QGZVFWFLSA-N 320.481 2.747 0 50 DFAA Fc1ccc(-c2cc(CN3CC[C@@H]4CNC[C@@H]4CC3)on2)cc1 420343878 RYDGWKYARGBDGD-GASCZTMLSA-N 315.392 2.912 0 50 DFAA Nc1nc2ccccc2cc1C(=O)NCCOc1ccccc1 20518354 GFYUBIITTVTEIO-UHFFFAOYSA-N 307.353 2.626 0 50 DFAA C[C@H](CCn1cccn1)NCC(=O)Nc1ccc(Cl)cc1F 65380306 GFUHEEHSSNSGGU-LLVKDONJSA-N 324.787 2.683 0 50 DFAA CSc1nnc(CN2CCSCC2)n1-c1ccccc1 23634320 BYHCPTXQGKHCAN-UHFFFAOYSA-N 306.460 2.538 0 50 DFAA Cc1nnc([C@@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 229296248 IFDDSCIVPFHAJM-BXKDBHETSA-N 303.366 2.579 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3)nc2)C1 67740505 WGSOEWCWGOVFHF-CQSZACIVSA-N 311.385 2.642 0 50 DFAA Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)NC(=O)N(C)CC[C@H](C)O)c1 252511053 DNHGNKHODQNXRC-ABFRBSLYSA-N 304.434 2.899 0 50 DFAA COc1ccc(OCn2ccc(C(=O)Nc3ccncc3)n2)cc1 6490686 UWWHFHLYWXWTAA-UHFFFAOYSA-N 324.340 2.576 0 50 DFAA CN1CC(=O)N(Cc2cc(Cl)ccc2OCC2CC2)C1=O 279950669 MUXKBRLCQRPEDY-UHFFFAOYSA-N 308.765 2.523 0 50 DFAA Cc1c(C(=O)N(CCN(C)C)C(C)C)cnn1-c1ccccc1 151927495 XXRPQAUDKFXMAQ-UHFFFAOYSA-N 314.433 2.593 0 50 DFAA Cc1ccccc1C1(C(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1 360642062 UPLDLQXHASKGER-JKSUJKDBSA-N 301.430 2.942 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H]2c2ccccc2)no1 363111694 QLBRYLDPNWFMGJ-KFWWJZLASA-N 312.373 2.781 0 50 DFAA CCCn1ccnc1CN1CCCN(c2ccnc(C)c2)CC1 72144734 RHZIQYREEUUQJO-UHFFFAOYSA-N 313.449 2.709 0 50 DFAA Nc1ncccc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 331515893 IZJMMTAZIJCPPI-OAHLLOKOSA-N 303.793 2.891 0 50 DFAA CS(=O)(=O)CCCN1CCC[C@H]1c1ccc(Cl)cc1 171376326 QUFOLAATQSMUPH-AWEZNQCLSA-N 301.839 2.912 0 50 DFAA C[C@@H](NC(=O)[C@]1(C)CCCOC1)c1ccccc1-n1cccn1 331710374 CPRAQSDYTQLIIK-RDTXWAMCSA-N 313.401 2.866 0 50 DFAA COc1ccccc1OC1CCN(C(=O)c2cc[nH]c2)CC1 77425250 NYSOGSNEHYVLJL-UHFFFAOYSA-N 300.358 2.707 0 50 DFAA Cc1ccc(C(C)(C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cn1 332166828 QVIISYSWFPRCMI-OAHLLOKOSA-N 323.396 2.867 0 50 DFAA Cc1cc(C)nc(N2CCCN(c3ccc(F)cc3)CC2)n1 368750870 NSFSCMIUVSKQNP-UHFFFAOYSA-N 300.381 2.949 0 50 DFAA CCOC(=O)c1cc(Br)cc(Br)c1N 38960958 NERSGAMVWBINET-UHFFFAOYSA-N 322.984 2.971 0 50 DFAA O=C(NCC1(C(=O)O)CCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 130656807 SSZWOGQSVLLLLT-ZJUUUORDSA-N 307.312 2.726 0 50 DFAA O=C(c1cc(C(F)(F)F)ccc1F)N1CC(n2cccn2)C1 370530260 BSDZGCMMDVNQEP-UHFFFAOYSA-N 313.254 2.738 0 50 DFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(CCO)cc1 127339544 NHWVXYUYOLUWHP-XBXARRHUSA-N 311.337 2.602 0 50 DFAA CSc1ncccc1C(=O)N1CC[C@H](n2nc(C)cc2C)C1 219605347 GJQFXRLNJUXHRJ-ZDUSSCGKSA-N 316.430 2.704 0 50 DFAA C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(F)ccc2o1 240555582 GWLLMYAJFKOEAS-UHIISALHSA-N 318.348 2.869 0 50 DFAA O=C(NCCC12CCCN1CCC2)[C@H](O)c1ccc(Cl)cc1 220075758 PMQWREUVQXNPDQ-OAHLLOKOSA-N 322.836 2.508 0 50 DFAA O=C(O)[C@H]1CCCN(Cc2cc(CN3CCCC3)cs2)C1 222350148 QLLGZZNGNVDVPO-AWEZNQCLSA-N 308.447 2.641 0 50 DFAA COCc1ncsc1C(=O)N1c2ccccc2OC[C@H]1C 285466996 PZPSFVOHTICRGF-SNVBAGLBSA-N 304.371 2.717 0 50 DFAA Cc1nc2cc(C(=O)N[C@H](CC(=O)O)C(C)C)ccc2s1 426493269 SPWUWWCLBBLGCW-LLVKDONJSA-N 306.387 2.834 0 50 DFAA Cn1cc(CNC(=O)N2CC[C@@H](c3ccccc3Cl)C2)cn1 426406016 BMVNZGTYMRHLLC-CYBMUJFWSA-N 318.808 2.773 0 50 DFAA Cc1cc(CN(C)C(=O)c2nc3cccc(C)n3c2F)ccn1 426641328 FTLRVCKCCQQNIR-UHFFFAOYSA-N 312.348 2.757 0 50 DFAA CN(C)CCCn1ccnc1[C@H]1CCCN(c2ccccn2)C1 95526849 JFSSYYHJZDLLRN-INIZCTEOSA-N 313.449 2.614 0 50 DFAA COC[C@H](Nc1nc(C)nc2ccsc12)c1ccnn1C 91656327 OISPCOYFCLUEBK-NSHDSACASA-N 303.391 2.533 0 50 DFAA O=C(Cc1ccc2c(c1)CCC2)NCc1ccn2ccnc2c1 178378736 BMHZEILQDNTDGQ-UHFFFAOYSA-N 305.381 2.682 0 50 DFAA CN(C)c1nsc(NC[C@@H]2CCOc3ccccc3C2)n1 95363165 YHUASUNHYDTKGA-LLVKDONJSA-N 304.419 2.657 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C(=O)O 142579084 WWLUZVMSTLIAPR-KBPBESRZSA-N 305.374 2.939 0 50 DFAA O=C(O)[C@H]1CCC[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)C1 179992141 QRWCBXLKHXZWLE-KGLIPLIRSA-N 323.433 2.828 0 50 DFAA O=C(NCCc1cccnc1)c1cccc([C@@H]2CCCNC2)c1 95390560 MUIIMIVAAPMTQY-GOSISDBHSA-N 309.413 2.521 0 50 DFAA COc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@H](O)C2)cc1 244858442 VLDLWMMEKJGAJC-BQFCYCMXSA-N 311.381 2.937 0 50 DFAA CN(Cc1cc(C2CCCCC2)no1)CC1(CO)CCOCC1 244673761 HVBOLTKBDFCZKQ-UHFFFAOYSA-N 322.449 2.943 0 50 DFAA Cc1nc2c(s1)[C@H](NCc1nnc3n1CCCC3)CCC2 183868971 SUFYUYNWEQSGNC-LLVKDONJSA-N 303.435 2.547 0 50 DFAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](CN)C1 299739527 PSBOWVZTYPMRRE-GDBMZVCRSA-N 304.434 2.775 0 50 DFAA O=C(O)C1CCC(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 299742905 JITLLXWCGLYOSF-BQVYFXKUSA-N 323.339 2.828 0 50 DFAA CCO[C@@H](C)CNC(=O)N1CC(Oc2c(C)cccc2C)C1 534631130 HKBOYSRKSJVPCJ-AWEZNQCLSA-N 306.406 2.501 0 50 DFAA CCCn1cc(NC(=O)NCc2csc3c2CCCC3)nn1 299774455 IEQHFJHAHGNCKD-UHFFFAOYSA-N 319.434 2.950 0 50 DFAA Cc1ccc2[nH]c(CCNC(=O)C[C@@H]3CCCOC3)nc2c1C 299756776 GSXMXNBWKCRWHT-AWEZNQCLSA-N 315.417 2.655 0 50 DFAA COc1cccc(N2CCN(c3cc(C)cc(C)n3)CC2=O)c1 824782206 RZHNBQADHDTFKH-UHFFFAOYSA-N 311.385 2.560 0 50 DFAA COc1ccc(OCC2CCN([C@H]3CCCOC3)CC2)cc1 584903250 OAWNNKQWQBAIPH-INIZCTEOSA-N 305.418 2.965 0 50 DFAA Cc1nc([C@H](C)NC(=O)c2nn(C)c3c2CCCC3)c(C)s1 584890092 ZTZJIJRVGRPPRP-VIFPVBQESA-N 318.446 2.863 0 50 DFAA Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c(O)cn1 584896632 LURQGFYFZOIHRO-CYBMUJFWSA-N 300.333 2.864 0 50 DFAA CC(C)C(=O)N[C@@H](C)CN(C)C(=O)c1coc2ccccc12 1383759948 HOQYFQTZJBFFSD-LBPRGKRZSA-N 302.374 2.666 0 50 DFAA COc1cc(CCC(=O)N2C[C@H](C)[C@@](O)(C3CC3)C2)ccc1C 1565531382 PWCLWPDQVUWVHA-IFXJQAMLSA-N 317.429 2.556 0 50 DFAA O=C1CCC[C@H](C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)N1 629850458 PJQFDBBKQIFVID-ZIAGYGMSSA-N 306.793 2.502 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@@H]1CCc2nccn2C1 275535987 MFVQNOPFLORESD-NZSAHSFTSA-N 324.472 2.556 0 50 DFAA Fc1cccnc1O[C@H]1CCCN(c2ncc(Cl)cn2)C1 278810360 SBTSQOLYMLRYAQ-NSHDSACASA-N 308.744 2.712 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccnn1Cc1ccccc1F 191358539 UFSDLGVVGAKJFE-JSGCOSHPSA-N 317.364 2.824 0 50 DFAA Cc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(C)n1 675042831 LUZNFLFDLQMMCZ-UHFFFAOYSA-N 306.369 2.814 0 50 DFAA CC[C@@H]1COCCN1C(=O)Nc1ccccc1-c1ncco1 585135707 XQBLFLRLQOJXJA-GFCCVEGCSA-N 301.346 2.984 0 50 DFAA C[S@@](=O)Cc1cc(NCc2csnn2)ccc1Cl 195559135 FTETZFZCKCPLGQ-GOSISDBHSA-N 301.824 2.682 0 50 DFAA CC1(C)C(CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)C1(C)C 684420581 QTUZBENTPCKWAH-LBPRGKRZSA-N 304.438 2.981 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cc(F)cc(Br)c1 124754455 IUIHHYFCLFQNEF-UFBFGSQYSA-N 315.186 2.540 0 50 DFAA CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3CCCC3=O)c3cccc1c32 1740816435 HEMCENBMWQJRNB-BFUOFWGJSA-N 311.381 2.786 0 50 DFAA CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3CCCC3=O)c3cccc1c32 1740816442 HEMCENBMWQJRNB-ORAYPTAESA-N 311.381 2.786 0 50 DFAA CC(C)(C)C(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 5198104 JNOVBOHSWIHFKC-CQSZACIVSA-N 304.390 2.580 0 50 DFAA CCNC(=O)NCc1cccnc1Oc1ccccc1OC 12307465 HBJAZDUMGRBUJY-UHFFFAOYSA-N 301.346 2.702 0 50 DFAA COc1ccc(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)cc1F 14960252 TVIMFJCVDWODGA-CQSZACIVSA-N 321.392 2.908 0 50 DFAA COC1CCN(c2ccc(-c3nc(CC(C)C)no3)cn2)CC1 15075219 FIDFFPZCSATMHN-UHFFFAOYSA-N 316.405 2.945 0 50 DFAA Cc1cc(C)n(C[C@@H](C)N2CCC(C3CCNCC3)CC2)n1 1857671032 LTIYBNHDUXWDHG-MRXNPFEDSA-N 304.482 2.600 0 50 DFAA O=C(c1ccc(CO)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 615007556 DOIGTZSJSMBLBH-KRWDZBQOSA-N 315.369 2.593 0 50 DFAA Cn1ccc(CCC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)n1 646395395 JBVQIOAPITYUAZ-BJHJDKERSA-N 317.355 2.932 0 50 DFAA Cn1c(C(=O)N2CC[C@](C)(C(=O)O)C2)c(Cl)c2ccccc21 237715191 ATWVQEZHCHOUQQ-INIZCTEOSA-N 320.776 2.769 0 50 DFAA COc1cccc2c1C[C@@H](NC(=O)c1cncc(Cl)c1)C2 458089026 RMZVWLJTICLZQW-ZDUSSCGKSA-N 302.761 2.641 0 50 DFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 247686939 SFOJIBKPGCSSGL-PZWNZHSQSA-N 306.328 2.727 0 50 DFAA C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@@H]1C 252586537 QRUNIIHNLKWMIE-GYRMQKGHSA-N 302.418 2.769 0 50 DFAA CCNC(=O)C[C@@H]1CCCCN1Cc1nc2cc(F)ccc2o1 585081398 XEKQMTPVWRAEDR-ZDUSSCGKSA-N 319.380 2.848 0 50 DFAA COCCc1nc(CN2c3ccc(Cl)cc3OC[C@@H]2C)no1 1875275284 PANZNEHOROFQIQ-JTQLQIEISA-N 323.780 2.699 0 50 DFAA O=C(O)[C@H]1CC[C@H](C(F)(F)F)N1Cc1ccc(F)cc1F 1875283303 NHCCMFXMVONVAX-GHMZBOCLSA-N 309.234 2.945 0 50 DFAA CC(C)c1cccc(-c2ccc(C(=O)NC3CCNCC3)nn2)c1 1875312830 BUHQTNLIJBCTBH-UHFFFAOYSA-N 324.428 2.749 0 50 DFAA COC(=O)/C=C/CCNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 1875312276 YYYGQKAGKUXWQR-QDFGCFFBSA-N 305.374 2.571 0 50 DFAA Cc1nc([C@H](C)N2CCC(c3nc(C4CCC4)no3)CC2)no1 879553437 MMHNYTHCTLRMBV-JTQLQIEISA-N 317.393 2.969 0 50 DFAA Cc1ccoc1CN1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886055074 PMZVUZAELASGEQ-QGZVFWFLSA-N 315.417 2.698 0 50 DFAA N[C@H]1CC[C@@H](C(=O)NC23CCC(F)(CC2)C3)CCC1(F)F 2325779151 JMKOQFAVTXAYNZ-UJLSLHKQSA-N 304.356 2.680 0 50 DFAA O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1C[C@@H]2C[C@@H](O)[C@H]1C2 2325782323 OCGPVBGKPPUBFM-ISNRCNGPSA-N 317.351 2.583 0 50 DFAA CCOc1cc(CN2C[C@@H](C(=O)O)CCC23CCC3)ccn1 2325798330 NSTSXSCAADWFCY-AWEZNQCLSA-N 304.390 2.700 0 50 DFAA C[C@@]1(C(=O)NC[C@@H](C(=O)O)c2cc(F)ccc2F)C=CCCC1 2325812941 WWZRGRLDKDGOED-CXAGYDPISA-N 323.339 2.996 0 50 DFAA C[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)[C@H]1c1ccccc1 120030654 GKXHSHJBBNZROH-IUODEOHRSA-N 311.389 2.768 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(O)cc2)N1 281782 OHWUOYUHWJMINH-CVEARBPZSA-N 308.337 2.562 0 50 DFAA biogenic CC(C)CN1C(=O)c2ccc(NC(=O)c3ccco3)cc2C1=O 313665 XNNCLZGGVOMKIW-UHFFFAOYSA-N 312.325 2.784 0 50 DFAA O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CC1 359143 MARFXICSYVXYRU-UHFFFAOYSA-N 316.382 2.836 0 50 DFAA CC(C)(C)c1ccc(S(=O)(=O)NCc2cccnc2)cc1 363580 TZHJLANVXSPSIO-UHFFFAOYSA-N 304.415 2.858 0 50 DFAA CCCN1Cc2nnc(-c3c[nH]c4ccccc34)n2[C@@H](C)C1=O 2356161110 GPQDDGDWCYMXRW-NSHDSACASA-N 309.373 2.740 0 50 DFAA CNC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3OC)cc2)C1 421371355 CMGWPVDXXXGSSN-KRWDZBQOSA-N 324.424 2.930 0 50 DFAA CC1(C)SC(=O)N(CCC(=O)Nc2cccc(F)c2)C1=O 133018800 WFWIOTOJXSULDN-UHFFFAOYSA-N 310.350 2.628 0 50 DFAA C[C@@H]1Cc2ccccc2N1CCOCCNC(=O)OC(C)(C)C 225846453 DXRPBTXEKFXHEQ-CQSZACIVSA-N 320.433 2.979 0 50 DFAA CCN(CC)[C@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 20449760 FXBZZVDDZYVPIK-HNNXBMFYSA-N 300.406 2.653 0 50 DFAA CN1C(=O)C[C@H](C(=O)Nc2cccc(O)c2)[C@@H]1c1ccccc1 20718367 BGPJDAZHHURGRY-RDJZCZTQSA-N 310.353 2.550 0 50 DFAA COc1cccc(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)c1 137783051 WLHPTOKQEKKLET-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccnc2)C1 421987197 JIZNEBQAZLDGPQ-TZMCWYRMSA-N 304.390 2.522 0 50 DFAA CCC(=O)NCc1cccc(-n2c(CO)nc3ccccc32)c1 65380510 VDSUSSOJCHFQMA-UHFFFAOYSA-N 309.369 2.544 0 50 DFAA O=C(c1ccccc1O)N1N=CC[C@@]1(O)c1ccc(Cl)cc1 276638 MIIGZHROVKJWCB-MRXNPFEDSA-N 316.744 2.723 0 50 DFAA CCN(Cc1nc(O)c2ccccc2n1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 253551163 OOJXLDJXRJVTQF-ATCWAGBWSA-N 311.385 2.730 0 50 DFAA N[C@@H](CSCc1ccccc1)C(=O)OCc1ccccc1 38200513 RWISUDSSXJFKIY-INIZCTEOSA-N 301.411 2.991 0 50 DFAA CN(C)c1nc(CNC(=O)c2cnc3ccccc3c2)cs1 219605896 KQUYMICFAIGAJT-UHFFFAOYSA-N 312.398 2.687 0 50 DFAA Cc1nc(CC(=O)N2CCCC[C@H]2CCn2ccnc2)cs1 77342210 JMPXWGPCHGNFHM-HNNXBMFYSA-N 318.446 2.662 0 50 DFAA O=C(NCc1c(F)cccc1Cl)N[C@@H]1CC12CCOCC2 333819664 JOZPLDIDJCNHHE-CYBMUJFWSA-N 312.772 2.847 0 50 DFAA C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccc(C(=O)O)cc2)C1 237589200 PCJCWBZLKVONGZ-IUODEOHRSA-N 305.374 2.596 0 50 DFAA O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 334137402 ZLBBAUJULQCBEF-YYIAUSFCSA-N 313.397 2.856 0 50 DFAA Cc1ccc2c(CC(=O)N3CCC[C@@H](C(=O)O)C3)coc2c1C 237870413 VPKINCXXXDGOQX-CYBMUJFWSA-N 315.369 2.915 0 50 DFAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c2c(O)cccc21 333189229 NRYADSRCTBFWRF-BYCMXARLSA-N 311.385 2.770 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 282431529 GBNQGKZIDVYNTO-ZBFHGGJFSA-N 317.364 2.551 0 50 DFAA CCc1c(C(=O)Nc2cccc(O)c2)cnn1-c1ccccn1 133745609 PDROWOUICPRNLR-UHFFFAOYSA-N 308.341 2.788 0 50 DFAA CCN(C(=O)c1conc1COC)[C@@H]1CCCc2cccnc21 606443592 HWEDUEDLNDNSMV-OAHLLOKOSA-N 315.373 2.756 0 50 DFAA Cn1cccc1[C@@H]1CCCCN1C(=O)CNC(=O)CC(C)(C)C 174403159 FSCUMNLJHMQMIJ-HNNXBMFYSA-N 319.449 2.631 0 50 DFAA CCc1ccc(CN(C)C(=O)[C@@H](C)n2cc(Cl)cn2)nc1 426376278 DJTKSJUJTXIWAX-LLVKDONJSA-N 306.797 2.714 0 50 DFAA O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1c1cncc(F)c1 813360550 QQTGMELAOVJZAG-UHFFFAOYSA-N 319.723 2.843 0 50 DFAA CS(=O)(=O)C1CCC(Nc2ncc(Cl)cc2F)CC1 175400150 WAOPMFCAFHFNSK-UHFFFAOYSA-N 306.790 2.642 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 426381476 QCOGCQVWUUFNLC-OWCLPIDISA-N 316.449 2.813 0 50 DFAA CCOC(=O)[C@@H](Br)C(=O)c1ccc(Cl)cc1 141405439 VUXGSOOHZPQFNN-VIFPVBQESA-N 305.555 2.849 0 50 DFAA Cc1nc(CCCNC(=O)CC[C@H]2CCCN(C)C2)sc1C 95385005 NNYMHSFHEQQTLR-OAHLLOKOSA-N 323.506 2.931 0 50 DFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H](CN)C2)c1 178577467 VHIMTTGODPIVRU-CABCVRRESA-N 304.434 2.693 0 50 DFAA COc1cc(F)c(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)cc1OC 91526870 WMLRGCRWKDWSOD-XIKOKIGWSA-N 323.408 2.826 0 50 DFAA CNC[C@H]1CCN(C(=O)c2sc(C3CCCC3)nc2C)C1 179019374 KBALWXAZCWNURT-GFCCVEGCSA-N 307.463 2.791 0 50 DFAA Cn1ccnc1-c1ccc(NC[C@H]2COc3ccccc3C2)nn1 96163952 ZLGBDSDEASVDAJ-ZDUSSCGKSA-N 321.384 2.540 0 50 DFAA COc1cc(OC)nc(NC[C@H]2CCOc3ccccc3C2)n1 95352589 VZWOPIDKDGLYAS-LBPRGKRZSA-N 315.373 2.547 0 50 DFAA CC(C)c1nccn1[C@H](C)C(=O)NCCC12CCCN1CCC2 95522779 TUAKELHQBBRMHJ-OAHLLOKOSA-N 318.465 2.702 0 50 DFAA O=C(NCCc1ccncc1)c1ccc([C@@H]2CCCNC2)cc1 95372488 ZCYKODHVUAQKSU-GOSISDBHSA-N 309.413 2.521 0 50 DFAA CCn1cc(CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cn1 293375936 NSRCLRMHULFIGE-OAHLLOKOSA-N 313.405 2.591 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1ccccc1)c1ccncc1 97759287 FMAPMPZYBCTAKS-IBGZPJMESA-N 320.396 2.870 0 50 DFAA Cc1ccccc1-n1cc(CNC(=O)CSCC2CC2)cn1 244701260 KDAZFHMIYOZIGR-UHFFFAOYSA-N 315.442 2.940 0 50 DFAA COc1cc(F)ccc1CN1CCC(CCNC(C)=O)CC1 670468590 FCMVIHMODUDFED-UHFFFAOYSA-N 308.397 2.573 0 50 DFAA CC1(C)[C@@H]2NCCC[C@H]2[C@H]1NCc1nc(-c2ccccc2)no1 685943116 DGUZJZVJDDFYBL-FVQBIDKESA-N 312.417 2.603 0 50 DFAA Cc1nnc(CN(C)C(=O)c2c(-c3cccs3)noc2C)o1 1336025125 QMYLJLARRFEJFW-UHFFFAOYSA-N 318.358 2.675 0 50 DFAA COc1ncccc1CN[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952982709 ZXTUPGDSNCZVNK-NBODCXNTSA-N 316.445 2.900 0 50 DFAA CC(C)[C@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1N(C)C 1565509339 RHRVKXWWFYENGG-MSOLQXFVSA-N 318.461 2.890 0 50 DFAA O[C@@H](c1ncc[nH]1)C1CCN(c2nc3cc(F)ccc3o2)CC1 302749674 GOXLWJAKHLOZLA-CQSZACIVSA-N 316.336 2.640 0 50 DFAA CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)CCO1 273850730 LGVZLFSRJNUJKY-VXGBXAGGSA-N 313.344 2.994 0 50 DFAA COc1cccc2c(N3CCC(c4nncn4C)CC3)ccnc12 275457779 HFUIRUHETPWCOD-UHFFFAOYSA-N 323.400 2.756 0 50 DFAA CN(CC1(CO)CC1)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 189095116 DQGBHZRWRHDTCM-UHFFFAOYSA-N 319.792 2.575 0 50 DFAA CC(C)C[C@]1(CO)CCCN1C(=O)NCCc1ccsc1 190086929 OWSGKVOMZDHEFC-INIZCTEOSA-N 310.463 2.873 0 50 DFAA CC(C)c1cccc2c1CCN(C(=O)N[C@H](C)C[S@@](C)=O)C2 191417565 KEXXGDAEJQAZLW-MCMMXHMISA-N 322.474 2.645 0 50 DFAA Cc1ccc(-c2ccc(C(=O)N[C@H]3CSC[C@@H]3C)cc2)nn1 648390182 BDJQGQZYRXCMNE-ZBEGNZNMSA-N 313.426 2.933 0 50 DFAA Cc1ccc(-c2ccc(C(=O)N[C@@H]3CSC[C@@H]3C)cc2)nn1 648390181 BDJQGQZYRXCMNE-MEDUHNTESA-N 313.426 2.933 0 50 DFAA Cn1cc(CC(=O)N2CCSc3ccc(Cl)cc32)cn1 195269747 HLPJZVKINGIXEM-UHFFFAOYSA-N 307.806 2.755 0 50 DFAA CC1(C)C[C@H](O)CCN(c2nnc(-c3ccc(O)cc3)s2)C1 585132927 HJOBJQQDFMXALE-CYBMUJFWSA-N 319.430 2.898 0 50 DFAA C[C@H]1CCCN(C(=O)c2cc(N)nc(Br)c2)CC1 585121368 NJROQDYFOICKAG-VIFPVBQESA-N 312.211 2.689 0 50 DFAA C[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@@H]1CCOC[C@@H]1C 661173469 GHJJXHVLAPSDTA-GZIXRCOHSA-N 302.418 2.687 0 50 DFAA c1ccc(COC2CCN(C3CSCCSC3)CC2)nc1 1506403902 PGMOINMHLZLALA-UHFFFAOYSA-N 324.515 2.911 0 50 DFAA Cc1cc(C(=O)N(C)Cc2cccc3cnccc23)cc(O)n1 1506422232 QBUVPNLIHKVYJO-UHFFFAOYSA-N 307.353 2.916 0 50 DFAA COc1cc(C)c(CN(CCO)Cc2cnc(C)[nH]2)c(C)c1C 1704325458 NFODHKBVFIXFLI-UHFFFAOYSA-N 317.433 2.646 0 50 DFAA Cc1nc(CN2CCC(Cc3ccc(O)nc3)CC2)n(C)c1C 1772701101 BUNWVNCRIRRXIT-UHFFFAOYSA-N 314.433 2.592 0 50 DFAA COc1ccccc1C(=O)NC(=S)Nc1cc(C)ccn1 13281829 GGSIKPSWUIMMSI-UHFFFAOYSA-N 301.371 2.525 0 50 DFAA C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)[C@H]1CCCc2sccc21 1857528123 UYFUJEIADPYLBV-GVXVVHGQSA-N 307.415 2.880 0 50 DFAA CC(=Cc1ccccc1)CN1CCN(C)[C@@H](c2nc(C)no2)C1 1857533130 UPKCUFMFQKIHKL-QGZVFWFLSA-N 312.417 2.770 0 50 DFAA O=C(Nc1cccc2c1CCCC2)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857731339 PVQPMALLAXBMRD-BMGDILEWSA-N 314.429 2.661 0 50 DFAA CCOC(=O)c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1C 219780727 WLAYTNNRDLEAJL-UHFFFAOYSA-N 314.263 2.670 0 50 DFAA O=C(CSc1ncncc1Br)Nc1ccccc1 225698873 QHVMCKJTXGDRDN-UHFFFAOYSA-N 324.203 2.970 0 50 DFAA CC[C@@H](C)Oc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)=NC3)ccn1 329349553 DVSIEGPWBJEVHQ-XBFCOCLRSA-N 317.389 2.592 0 50 DFAA COCCc1ccc2oc(NCc3cnn4c3CCC4)nc2c1 656770885 VVMMKNVSVXWDJE-UHFFFAOYSA-N 312.373 2.772 0 50 DFAA Cc1cc(C)c(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)cn1 454874953 NAWXUWINOMMJSA-INIZCTEOSA-N 318.465 2.618 0 50 DFAA O=C(c1coc(-c2ccccc2)n1)N1CC[C@@H](N2CCCC2)C1 158388441 ZXJQDZJLWRJRRB-OAHLLOKOSA-N 311.385 2.652 0 50 DFAA O=C(Nc1cccc(OCc2noc3c2COCC3)c1)C1CC1 902713601 HXWLOPBVBLYPAU-UHFFFAOYSA-N 314.341 2.675 0 50 DFAA O=C(O)[C@@H]1CN(Cc2nccc3ccccc23)C[C@H]1C(F)F 1875283584 WXDNDRJYHJOHKS-CHWSQXEVSA-N 306.312 2.633 0 50 DFAA O=C(NCC1(C(F)(F)F)CCCC1)c1ccc2ncnn2c1 1875275491 BUWVAYSPASBTFS-UHFFFAOYSA-N 312.295 2.582 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccco1)N[C@@H]1CCOC12CCCCC2 895397448 WVLPYQHSHLTBHZ-UMVBOHGHSA-N 304.390 2.927 0 50 DFAA CCOC(=O)Nc1ccc(NC(=O)c2cccnc2)cc1OC 4783775 BPXRIFPSYHVNOT-UHFFFAOYSA-N 315.329 2.911 0 50 DFAA C[C@H]1CCc2[nH]nc(C(=O)OCc3cccn4nccc34)c2C1 2325769753 IZOZCRZEIHLADU-NSHDSACASA-N 310.357 2.539 0 50 DFAA CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl 5046088 OKYGMLYKORRQDU-GXDHUFHOSA-N 318.760 2.840 0 50 DFAA Cc1cccc([C@H]2CCCN2S(=O)(=O)C[C@H]2CCOC2)c1C 110625562 ITFYDELJDKLERP-DOTOQJQBSA-N 323.458 2.807 0 50 DFAA COC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2)c1 463786 XTQHDRHGVRVMIJ-CYBMUJFWSA-N 312.369 2.704 0 50 DFAA COC(=O)Nc1sc(C)c(C)c1C(=O)NCc1cccnc1 1053705 UXDHQOXTTHTMHJ-UHFFFAOYSA-N 319.386 2.868 0 50 DFAA CCCN1C(=O)S[C@H](CC(=O)Nc2ccc(C)cc2)C1=O 4181580 QASNAFUDTKQERE-GFCCVEGCSA-N 306.387 2.798 0 50 DFAA O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1F 4348181 IVHRCFDKCDFOKW-UHFFFAOYSA-N 307.346 2.628 0 50 DFAA O=C(C[C@@H]1SCCNC1=O)Nc1cccc(Cl)c1Cl 4502327 MFKNEOORECCWBU-VIFPVBQESA-N 319.213 2.554 0 50 DFAA Cc1cc(C)nc(NC(=O)COc2ccc(F)c(Cl)c2)n1 4750535 GHQGTIMLUKQIQR-UHFFFAOYSA-N 309.728 2.903 0 50 DFAA CCOC(=O)[C@@H]1CCCN(Cc2ccc(O)c(OCC)c2)C1 6351000 UHJBTULWBHGHRT-CQSZACIVSA-N 307.390 2.566 0 50 DFAA CCn1c(S)nnc1COc1ccc(Br)cc1 6519972 FRMXRLWOFBKLMF-UHFFFAOYSA-N 314.208 2.928 0 50 DFAA CCCCNC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341085 MJKAVVIPXYZRQS-UHFFFAOYSA-N 306.381 2.594 0 50 DFAA CN(Cc1cnc(-c2ccco2)nc1)CC1(CO)CCCC1 67850038 JHEMMQSXPNJEDL-UHFFFAOYSA-N 301.390 2.721 0 50 DFAA C[C@H](C(=O)Nc1cccc(C(=O)c2nccn2C)c1)n1cccc1 409415073 SNSAWRWVCIHHCM-CYBMUJFWSA-N 322.368 2.652 0 50 DFAA C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccsc1 67770372 OMBNRRHFGYQTNP-NSHDSACASA-N 319.382 2.903 0 50 DFAA Cc1nnc([C@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 229296259 IFDDSCIVPFHAJM-JOYOIKCWSA-N 303.366 2.579 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(O)c2)N1 323334 KLUQZQYGFCCIQN-HOTGVXAUSA-N 308.337 2.562 0 50 DFAA biogenic O=C(O)c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H](F)C1)CC2 425244249 RUPKFFHIDGYXNL-IUODEOHRSA-N 305.349 2.798 0 50 DFAA COC(C)(C)CC(=O)N1CC[C@@H](C(F)(F)F)n2nc(C)cc21 425576681 DWTMWNFJGVPUCL-JTQLQIEISA-N 319.327 2.847 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)N(C)C2CCCCC2)C1 6738348 JBNHALMYMAAVFP-KRWDZBQOSA-N 316.401 2.979 0 50 DFAA CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1=O 252511501 HJGUTWKVACVMSJ-YESZJQIVSA-N 314.429 2.697 0 50 DFAA C[C@H](F)CCNC(=O)CCCc1nc(O)c2ccccc2n1 356672233 QEKAYOSIFFKVKC-NSHDSACASA-N 305.353 2.522 0 50 DFAA CCc1ccsc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)no1 253433432 WUCWOVSUKUWEEH-LLVKDONJSA-N 320.418 2.737 0 50 DFAA CCn1ncc(C(=O)N2CCCc3n[nH]cc32)c1-c1ccccc1 280127771 PAKIJKGGIMJROL-UHFFFAOYSA-N 321.384 2.886 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)N2CCC(C)(C(=O)O)CC2)s1 365374859 NTENWQLJRJVHLA-UHFFFAOYSA-N 324.446 2.977 0 50 DFAA CC(C)C[C@H](NC(=O)c1cnc2onc(C(C)C)c2c1)C(=O)O 155964432 BYEJAYKNEBVTQS-LBPRGKRZSA-N 319.361 2.575 0 50 DFAA COCCn1ccnc1CN1CCC[C@H]1c1ccccc1OC 216521359 MTFPQIHKEPYAKS-INIZCTEOSA-N 315.417 2.875 0 50 DFAA Oc1cc(I)ccc1OC(F)(F)F 72190256 WDKKUPAXFNQAKH-UHFFFAOYSA-N 304.005 2.895 0 50 DFAA O=C(c1cccc(Cn2cccn2)c1)N1CC(c2ccncc2)C1 72146454 UFOBCWLGBZZZJA-UHFFFAOYSA-N 318.380 2.566 0 50 DFAA CN1C[C@H](C(=O)N(C)c2ccc(F)cc2)c2ccccc2C1=O 373914030 WZJHJNUPWWVENX-INIZCTEOSA-N 312.344 2.658 0 50 DFAA COCc1cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)ncn1 71721616 GXHYVMBSAZZYOV-OAHLLOKOSA-N 319.792 2.854 0 50 DFAA Cn1nncc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 281150082 BBYONDFWMLWAQQ-CQSZACIVSA-N 304.781 2.740 0 50 DFAA CC(C)c1nnc([C@H](C)NC(=O)Cc2noc3ccccc23)o1 216148618 YJMOYSHFBWQOJS-JTQLQIEISA-N 314.345 2.754 0 50 DFAA C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(OCC(=O)O)cc1 263093924 QPZYNOVMLDWLDN-JSGCOSHPSA-N 303.358 2.684 0 50 DFAA COc1ccc(Cc2noc([C@H]3CC[C@H](C)O3)n2)cc1OC 129281765 YTPOJUKWUKZYLI-GXFFZTMASA-N 304.346 2.918 0 50 DFAA C[C@H](c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1)C1CC1 240465922 GBKXOSGWICJNAW-JTQLQIEISA-N 321.402 2.500 0 50 DFAA O=S(=O)(N1CCC[C@@H]1c1ccco1)N1CCC[C@H]2CCC[C@H]21 241132743 JLIZSUQLJXKLCR-RBSFLKMASA-N 324.446 2.926 0 50 DFAA O=C(O)[C@H]1CN(C(=O)c2ccc(Cl)cn2)c2ccccc21 132005981 VFBZEJPBFDJJQF-NSHDSACASA-N 302.717 2.564 0 50 DFAA CCOc1ccc(Cc2nnc(S)n2C[C@H]2CCCO2)cc1 17055049 NASFPDFIWZUXBG-CQSZACIVSA-N 319.430 2.735 0 50 DFAA CCc1ncc2c(n1)CN(C(=O)c1ccc3c(c1)CCCO3)C2 426602316 AWNAEEMILUYWPS-UHFFFAOYSA-N 309.369 2.520 0 50 DFAA CCCN(CCOC)C(=O)c1ccc(-c2ncccc2N)cc1 426615586 STGGAHVXPFMHEZ-UHFFFAOYSA-N 313.401 2.829 0 50 DFAA Cc1[nH]nc(C(C)C)c1-c1ccc(S(=O)(=O)N(C)C)cc1 426414384 LNUINWLERDOENL-UHFFFAOYSA-N 307.419 2.759 0 50 DFAA Cc1cc(=O)c2ccccc2n1CC(=O)N(C)Cc1ccoc1 95525941 BMRMDIVQLDIPRQ-UHFFFAOYSA-N 310.353 2.562 0 50 DFAA Cc1nc(N)nc(N2CC(Oc3ccccc3Cl)C2)c1C 91410514 JDADRABZUHSJLM-UHFFFAOYSA-N 304.781 2.597 0 50 DFAA CC(C)(CO)NC(=O)[C@@H](Cc1ccc(O)cc1)c1ccccc1 96137584 WAZFEESZAUDCBD-KRWDZBQOSA-N 313.397 2.606 0 50 DFAA CCCN(Cc1nccn1C)C(=O)[C@H](C)n1ccnc1C(C)C 95519598 GKFDRGYULIKGLV-AWEZNQCLSA-N 317.437 2.740 0 50 DFAA CC(C)c1nnc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1 180004972 AAHSWLZOJOQVNZ-LLVKDONJSA-N 314.389 2.929 0 50 DFAA O=C(CCc1ccc2[nH]ccc2c1)N1CC[C@H](N2CCCC2)C1 180251165 KJOWLKQGNUQCLQ-KRWDZBQOSA-N 311.429 2.797 0 50 DFAA O=C(O)C[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 299745600 RIFJIWOVBQISSN-NSHDSACASA-N 311.328 2.611 0 50 DFAA Cc1ccc2c(c1)c(CN[C@@H](C)CCn1ccnc1C)nn2C 534590052 STXYNTOCSUFKKY-AWEZNQCLSA-N 311.433 2.955 0 50 DFAA CCc1ncc(S(=O)(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)[nH]1 823484539 RSKIWAKCFIRWST-STQMWFEESA-N 323.462 2.633 0 50 DFAA Cc1c(NC(=O)C[C@@H]2CCCCN2C)cccc1C(=O)N(C)C 828070082 CPXIXSODXLYQRM-AWEZNQCLSA-N 317.433 2.510 0 50 DFAA C[C@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc2ncsc2c1 1369533474 FIMNPQDOENPDNS-BNQQVVLKSA-N 317.414 2.976 0 50 DFAA Cc1c[nH]cc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 408520392 BXMYNWBSGNKQJW-ZDUSSCGKSA-N 321.421 2.841 0 50 DFAA CN(C)C(=O)CC1CCN(c2nc3ccccc3s2)CC1 272761862 FYELBYFTTURETO-UHFFFAOYSA-N 303.431 2.991 0 50 DFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CCO1 276292495 NOBFYKLTXPRQDO-SUMWQHHRSA-N 324.384 2.552 0 50 DFAA Cc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 170597127 MQBBBJMIRSHEKH-GIPNMCIBSA-N 319.405 2.740 0 50 DFAA CC(C)n1cnc(S(=O)(=O)Nc2ccc3scnc3c2)c1 170689433 AOWVJSSDZVVDFD-UHFFFAOYSA-N 322.415 2.875 0 50 DFAA O=C(NCCCCc1nccs1)[C@@H]1OCCc2ccccc21 170685666 BUXFSKJPHVRVDX-MRXNPFEDSA-N 316.426 2.896 0 50 DFAA CCOc1nc(C)ccc1C(=O)N1CCOCc2ccccc21 279301317 BUNLEONJYGVCHR-UHFFFAOYSA-N 312.369 2.966 0 50 DFAA Cc1cccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)c1 187758268 ONLFGIPFUHPHTJ-UHFFFAOYSA-N 303.387 2.772 0 50 DFAA Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(C(=O)O)nc1 682803021 GBVNYBTVYXVHCG-UHFFFAOYSA-N 322.324 2.526 0 50 DFAA C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(C(F)F)nc1 658031074 JBQKALVERZJLHJ-ZKYQVNSYSA-N 309.360 2.823 0 50 DFAA Cc1c(C(=O)N2CC[C@H](CO)C(F)(F)C2)cnc2ccccc12 1615044791 KCOZFSRHRISNBU-GFCCVEGCSA-N 320.339 2.633 0 50 DFAA CC(C)(CN[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccccc1 1647413313 MWAIZCAJTGLHCC-NLGTXKQRSA-N 317.429 2.966 0 50 DFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(O)c(F)c1 1506407915 UBDMUUWAPMTWNK-UHFFFAOYSA-N 317.345 2.808 0 50 DFAA O=C(c1cc(Br)ccc1Cl)N1CCOCC1 4815692 MNVNAICUYQZULP-UHFFFAOYSA-N 304.571 2.575 0 50 DFAA in-vitro CC(C)N(C)c1ccccc1CNC(=O)Cc1cscn1 1615558383 VPCHHWMHFRLPCG-UHFFFAOYSA-N 303.431 2.847 0 50 DFAA CN(C)CC[C@H](Sc1nnnn1C1CC1)c1ccccc1 1615588057 NPCVTRMNFGCXET-AWEZNQCLSA-N 303.435 2.793 0 50 DFAA COc1ccc(-n2c(S)nnc2-c2ccncc2)c(OC)c1 5910630 ACGCMIWROJHFIS-UHFFFAOYSA-N 314.370 2.635 0 50 DFAA CN1CCN(C(=O)[C@H](c2ccccc2)C2CCCC2)CCC1=O 14878754 SKVXYNRZBDPEHN-GOSISDBHSA-N 314.429 2.651 0 50 DFAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NC1CC1)C3 14967858 XDUIFFNCUDPTRT-LBPRGKRZSA-N 317.458 2.867 0 50 DFAA COc1ccc(N2C3=[N+](CCCC3)C[C@]2(O)c2ccccc2)cc1 17180080 YBRPCGSNWDOPLV-FQEVSTJZSA-N 323.416 2.955 0 50 DFAA O=C(Nc1ccccc1F)c1ccc(CN2CCOCC2)cc1 19800145 JHMQYTXDSKOQDR-UHFFFAOYSA-N 314.360 2.910 0 50 DFAA C[C@]1(O)CCCN(C(=O)NCc2csc3ccccc23)C1 408050182 IFQFHHGAARJUBJ-INIZCTEOSA-N 304.415 2.958 0 50 DFAA CC(C)OC[C@@H](O)COc1ccc2c(c1)OC(C)(C)CC2=O 112223694 FZEIJZFMCZXESB-GFCCVEGCSA-N 308.374 2.595 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 128551268 BJBYOMQKQJYRDV-NSHDSACASA-N 315.291 2.571 0 50 DFAA CC(C)n1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)n1 262725412 GIOMRDVBUJLSLI-LBPRGKRZSA-N 315.373 2.980 0 50 DFAA Cc1nc2c(s1)[C@@H](NC(=O)c1cc(C(F)F)ncn1)CCC2 935300565 TUAMUDANCMKPFG-VIFPVBQESA-N 324.356 2.987 0 50 DFAA c1ccc(-c2cc(N3CCO[C@H]([C@@H]4CCCO4)C3)ncn2)cc1 872479705 PHLGXSDRFWJPLX-IRXDYDNUSA-N 311.385 2.528 0 50 DFAA CCc1cccc(OCC(=O)N[C@H]2CCC[C@H](C(=O)O)CC2)c1 1875287536 NKUPFQNXQRUEKI-GJZGRUSLSA-N 319.401 2.778 0 50 DFAA O=C(Cc1ccc2ncccc2c1)N1CCC([C@H]2CCNC2)CC1 1875277135 LABLROKBHYUHGK-SFHVURJKSA-N 323.440 2.625 0 50 DFAA Cc1ccc([C@@H](C)C(=O)NC2(c3ccccc3F)COC2)o1 886640512 BYJDERLEBMHNGX-GFCCVEGCSA-N 303.333 2.873 0 50 DFAA COc1ccc(Cl)cc1[C@H](O)CN[C@@H]1CCCn2ccnc21 888094147 ORTYQHXSASJCBA-ZIAGYGMSSA-N 321.808 2.703 0 50 DFAA CC1(C)C[C@@H](c2nc(-c3cc(N)ncn3)no2)c2ccccc2O1 896337000 VUUOZVSQCIXHJI-LLVKDONJSA-N 323.356 2.802 0 50 DFAA COc1cccc([C@H](C)C(=O)N2Cc3c[nH]nc3C(C)(C)C2)c1 1775987707 ZBWZNPISXSOYIA-LBPRGKRZSA-N 313.401 2.842 0 50 DFAA CC1(C)CCC(S(=O)(=O)Cc2cnn(CCF)c2)CC1 899483237 AVMUBAIAXSLYIG-UHFFFAOYSA-N 302.415 2.736 0 50 DFAA CCOC(=O)[C@H]1NN=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 4523983 OGJZLTVZFUIVRC-WBVHZDCISA-N 322.364 2.544 0 50 DFAA Cc1oc2c(c1C(=O)NCc1cc(C(=O)O)co1)CCCC2 36321 YMDMQRMBZOXXQX-UHFFFAOYSA-N 303.314 2.688 0 50 DFAA CC[C@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 140147 IKTCHSRDTGMGQE-VIFPVBQESA-N 310.151 2.667 0 50 DFAA COc1ccc(S(=O)(=O)CCc2nc3ccccc3[nH]2)cc1 258706 ITBYWVDBISLTNR-UHFFFAOYSA-N 316.382 2.588 0 50 DFAA Cc1cccc(N2C(=O)c3ccc(Br)cc3C2=O)n1 362465 SAZGBLHGKDWUFG-UHFFFAOYSA-N 317.142 2.953 0 50 DFAA O=C(NC1CCCC1)c1ccccc1I 567018 NHLFZQFZDMSMQT-UHFFFAOYSA-N 315.154 2.964 0 50 DFAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1cccc(O)c1 2356169434 BQKJVNGSFNEMLY-GOSISDBHSA-N 300.402 2.512 0 50 DFAA C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc3c(c2)CCC3)C1 4833646 ORQWJBOWUUFLIA-DAYGRLMNSA-N 303.446 2.893 0 50 DFAA Cn1c(-c2nc(-c3cncs3)no2)cc2ccccc2c1=O 347106500 LTQOFCYIEMMYGW-UHFFFAOYSA-N 310.338 2.712 0 50 DFAA c1nc(CCc2nc([C@@H]3C[C@@H]4CCCCN4C3)no2)cs1 225594754 YCWBDZHNVSVXHP-YPMHNXCESA-N 304.419 2.653 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2ccnn2C2CCCC2)CCCO1 342142176 SFAYAXMGPUYLAG-MRXNPFEDSA-N 305.422 2.885 0 50 DFAA CCO[C@@H]1C[C@@H](N[C@H]2CCCn3ncnc32)C12CCCCC2 245844642 FHHMGRHULPJISS-RRFJBIMHSA-N 304.438 2.831 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(F)cc1F 246199269 IYSJHNVOGHKEPD-CQDKDKBSSA-N 323.339 2.752 0 50 DFAA Cc1cnc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)nc1C 343248048 WVCSBKNNRBLYTQ-IUODEOHRSA-N 305.328 2.684 0 50 DFAA Cn1ccnc1[C@H](NC(=O)c1ccccc1N1CCCC1)C1CC1 67769842 MYWLZMIPILYQFE-QGZVFWFLSA-N 324.428 2.901 0 50 DFAA CC(C)(C(=O)N[C@H]1CCN2CCCC[C@@H]12)c1ccccc1F 248172833 TUTWTLJLEZAECX-HOTGVXAUSA-N 304.409 2.846 0 50 DFAA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CCc1ncc[nH]1 279428354 MDABFLIKFVNBAJ-OAHLLOKOSA-N 313.401 2.721 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccnc1Cl 252486099 FLDCOYSPQGLMDB-WCQGTBRESA-N 308.765 2.593 0 50 DFAA OC[C@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 11765204 KUVXPWQWJDRLPL-AWEZNQCLSA-N 320.396 2.901 0 50 DFAA CC(C)N(C)C[C@@H](C)NC(=O)c1ccc2nc(S)oc2c1 253429518 SUZCBTGVFYHJCD-SNVBAGLBSA-N 307.419 2.575 0 50 DFAA Cc1ccc(NC(=O)c2cnc(OCC3CC3)cn2)cc1F 253416189 SULLUQIEGLJKKZ-UHFFFAOYSA-N 301.321 2.965 0 50 DFAA c1coc([C@H](CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)N2CCCC2)c1 120965277 XCQBZYCBMOUNSM-LAQRGFTBSA-N 316.445 2.964 0 50 DFAA CCc1nc(C)sc1C(=O)N(C)Cc1noc(C2CCC2)n1 71748135 ODNJPGGKNPHOPT-UHFFFAOYSA-N 320.418 2.937 0 50 DFAA Cc1ccc([C@H]2CCCN(CC(=O)NCC(F)(F)F)C2)cc1 363508780 RNEJANBQQZROHM-AWEZNQCLSA-N 314.351 2.853 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C(=O)N1CCCO1 155682842 ULSLXHQVCLWGKS-CHWSQXEVSA-N 312.410 2.624 0 50 DFAA COc1ccccc1-c1ccc(CN2CC(=O)N[C@@H](C)C2)cc1 449525708 UAWNNMBANZAWKA-AWEZNQCLSA-N 310.397 2.683 0 50 DFAA CN1CCN(C(=O)c2cccc(C(=O)O)c2)[C@H](c2ccccc2)C1 261616072 BREUEVOUJXBRGD-KRWDZBQOSA-N 324.380 2.514 0 50 DFAA CS[C@@H](C)C(=O)NCCc1nccc(-c2ccccc2)n1 219281416 RJRCMODCNURSLW-LBPRGKRZSA-N 301.415 2.554 0 50 DFAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)CCc1ccsc1 238027178 LSRAWJNKMIBZTM-OAHLLOKOSA-N 315.394 2.719 0 50 DFAA O=C(O)c1ccc(CCC(=O)N2CCc3sccc3C2)cc1 238064063 KOPJJBFHCAETBC-UHFFFAOYSA-N 315.394 2.964 0 50 DFAA CC(=O)Nc1ccc(Cl)c(NC(=O)Nc2ccn(C)n2)c1 157501638 NXADGHKPKVWIQJ-UHFFFAOYSA-N 307.741 2.676 0 50 DFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(F)c(Cl)c2)C1 284647977 VAMGMCCWMYSMOE-MFKMUULPSA-N 310.760 2.559 0 50 DFAA Cc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2F)cc1 221271775 YUFODSSDVMODKZ-UHFFFAOYSA-N 323.345 2.749 0 50 DFAA O=C(CCn1ccnn1)N1Cc2ccccc2-c2ccccc21 612664976 BVJJMDVMWYKSLF-UHFFFAOYSA-N 304.353 2.882 0 50 DFAA Cc1c([C@@H](C)NC(=O)CCO)cnn1-c1cccc2ccccc12 91519267 LPUMWCGUHONFGX-CYBMUJFWSA-N 323.396 2.894 0 50 DFAA Cc1cccc(N2CCN(CCc3nc(C(C)C)no3)CC2)c1 95501568 REPGCTUNRLTERA-UHFFFAOYSA-N 314.433 2.866 0 50 DFAA CSCCN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95517919 RASPBTPDAUDXQQ-MRXNPFEDSA-N 320.502 2.608 0 50 DFAA CC[C@H](NC(=O)Nc1ccc2cnn(C)c2c1)c1nc(C)c[nH]1 96160229 AUDSAXNVQHYORV-ZDUSSCGKSA-N 312.377 2.878 0 50 DFAA Cc1nc(CN(C)C(=O)[C@H]2COc3ccccc3C2)cs1 91288918 UUNMBRSEKHCGEN-CYBMUJFWSA-N 302.399 2.661 0 50 DFAA O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccc2nccn2c1 244900191 ZXUNRNAGXVUKKE-UHFFFAOYSA-N 308.316 2.885 0 50 DFAA CC(=O)SCCN1CCN(c2ccc3ccccc3n2)CC1 601008706 XVEWVBXKUKQWKP-UHFFFAOYSA-N 315.442 2.637 0 50 DFAA N[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 299738654 DRXCKKMOWIJUQV-CQSZACIVSA-N 300.333 2.791 0 50 DFAA Cc1nc2cc(NC(=O)[C@@H]3CC34CCNCC4)ccc2s1 299785538 UKNNBWSRGAVZHI-LBPRGKRZSA-N 301.415 2.933 0 50 DFAA COc1ccc([C@H](C)N(C)Cc2cnc(OC)nc2)c(OC)c1 824852128 XCVGDCNATXSCOD-LBPRGKRZSA-N 317.389 2.695 0 50 DFAA CCCn1ncc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)c1C 823033446 VPLFRQURFWBWJP-HNNXBMFYSA-N 313.401 2.677 0 50 DFAA Cc1cc(C)n(CCCn2cnc3c(C)csc3c2=O)n1 584899089 XZXOEYKDMCDRDW-UHFFFAOYSA-N 302.403 2.670 0 50 DFAA O=C(NCC[C@H]1CCCCN1C1CCCC1)[C@H]1CC[C@H](O)CC1 584890271 HVEVYDKHFATFDK-KBAYOESNSA-N 322.493 2.841 0 50 DFAA CN(C)c1ccc2cc(NC(=O)[C@@H]3CCCC(=O)N3)ccc2c1 685939998 GVPRLLAFUJJIRK-INIZCTEOSA-N 311.385 2.513 0 50 DFAA CCCN1CCC[C@H](NCc2cc3ccccc3n(C)c2=O)C1 952987622 OYSUFFBKFUXCFC-KRWDZBQOSA-N 313.445 2.503 0 50 DFAA CO[C@@]1(C)CCCN(C(=O)NCc2nc(C)c(C)s2)CC1 408304623 ZWFKNIQXKQPSHG-HNNXBMFYSA-N 311.451 2.861 0 50 DFAA CN(C)C(=O)c1ccnc(NC(=O)[C@@H]2CCCc3ccccc32)c1 269843456 MYLOQFVDQUYXEG-MRXNPFEDSA-N 323.396 2.842 0 50 DFAA CC(=O)Nc1ccc(CCN[C@H]2CCCc3c2cnn3C)cc1 165693011 UFYMRXSQPFOFMR-KRWDZBQOSA-N 312.417 2.588 0 50 DFAA C[C@H](Sc1ncc(CO)n1C)c1noc(-c2ccccc2)n1 170615491 RTHRTRDZOGYNPA-JTQLQIEISA-N 316.386 2.816 0 50 DFAA Fc1ccc([C@H]2CN(CCc3ccncc3)CCO2)c(F)c1 187290625 BARYGTBWAJJPGD-QGZVFWFLSA-N 304.340 2.976 0 50 DFAA CCn1c(S[C@H]2CCC[C@H](OC)C2)nnc1-c1cnccn1 585118804 CJSJEYOIMRXXTK-RYUDHWBXSA-N 319.434 2.805 0 50 DFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOc2ncccc2C1 680839732 OUJOLECCBTZXCV-UHFFFAOYSA-N 320.352 2.507 0 50 DFAA C[C@@H]1COCC[C@H]1NC(=O)NCCc1ccnc2ccccc12 661070906 STUNBLZANKBPSR-CZUORRHYSA-N 313.401 2.502 0 50 DFAA Cc1c(CO)nn(CCOc2ccccc2)c1C(F)(F)F 1615549352 HMNJKMDXZAWHLN-UHFFFAOYSA-N 300.280 2.782 0 50 DFAA CN1CCN(c2ccc3c(Cl)cccc3n2)C[C@@]12CCOC2 1615589909 JFTWEYYSSIJVCF-QGZVFWFLSA-N 317.820 2.799 0 50 DFAA O=C1CC[C@H](N2CCC3(CCOCC3)CC2)CCN1CC1CC1 1506430804 CCYNQGHJGUYSJH-KRWDZBQOSA-N 320.477 2.670 0 50 DFAA Cc1cc(C(=O)O)nc(N[C@H](C)c2ccccc2-n2cccn2)n1 1506396260 JIHZXKMIZCJXBU-GFCCVEGCSA-N 323.356 2.842 0 50 DFAA CCOc1ccc(CN(CC)Cc2cc(O)nc(C)n2)cc1 1529168466 FKQDOMYSEZPSFP-UHFFFAOYSA-N 301.390 2.911 0 50 DFAA COC(C)(C)CS(=O)(=O)Nc1cc(F)c(F)cc1Cl 331234187 KHYKWNRTYUDJPO-UHFFFAOYSA-N 313.753 2.785 0 50 DFAA O=C(Cc1cccs1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775977014 CVASWKGPAHXMEX-INIZCTEOSA-N 301.415 2.520 0 50 DFAA O=C(O)CCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 11766417 MYOCZUKWKLGQJB-UHFFFAOYSA-N 320.320 2.538 0 50 DFAA Cc1cc(C)nc(CCNc2nncc(-c3ccccc3C)n2)n1 11816378 YHWWVWGQNCYICP-UHFFFAOYSA-N 320.400 2.908 0 50 DFAA CN(C)CCN(C[C@@H]1CCOC(C)(C)C1)C(=O)c1cccs1 12384396 SZRBNPZUZWRXPI-CQSZACIVSA-N 324.490 2.957 0 50 DFAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1 16579983 NDYBVOMGIVNHTA-HNNXBMFYSA-N 304.434 2.753 0 50 DFAA CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17987918 TVQQREPZLLQQMU-GJZGRUSLSA-N 315.369 2.931 0 50 DFAA CN(CCn1cnc2ccccc21)C(=O)c1ccncc1Cl 1857674658 RUVDICMVSJQNKP-UHFFFAOYSA-N 314.776 2.857 0 50 DFAA Cc1cccc(S(=O)(=O)N2CCCc3n[nH]cc32)c1Cl 225546428 LMQXPOLQKZAPSO-UHFFFAOYSA-N 311.794 2.513 0 50 DFAA O=C(c1ccc2c(c1)CCC=C2)N1CCCC[C@@H]1c1nc(O)n[nH]1 333513861 JMRYYGLRIIHOGR-OAHLLOKOSA-N 324.384 2.837 0 50 DFAA Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@H](N)C[C@@H]1C 237534711 ZDOIZMVVSARPKD-JQWIXIFHSA-N 324.471 2.710 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(Cl)ccc1O 239173582 OFHLMVJQLYKWLM-AJABAVSMSA-N 315.756 2.603 0 50 DFAA O=C(NCc1ccn(Cc2ccccc2)n1)N1C[C@H]2CCC[C@H]2C1 252480494 CBACDNZCBNUJPI-CALCHBBNSA-N 324.428 2.873 0 50 DFAA COC(=O)[C@@H](C)OCc1cn(Cc2ccccc2C(C)C)nn1 900611049 VNNIJNXEHAEYPU-CYBMUJFWSA-N 317.389 2.528 0 50 DFAA N[C@@H]1CCC[C@H](c2nc(-c3ccc(Cn4cccn4)cc3)no2)C1 904536983 DNNUAOLOXXKIFN-JKSUJKDBSA-N 323.400 2.966 0 50 DFAA Cc1cc(C)cc(NC(=O)CN2CCC[C@H]2c2ccnn2C)c1 932271043 YREHPHRKQZWQAA-KRWDZBQOSA-N 312.417 2.813 0 50 DFAA COc1cc(Cl)ccc1-c1nnc([C@]2(OC)CCOC2)o1 886082230 NSFNFXMBXPAQGP-AWEZNQCLSA-N 310.737 2.661 0 50 DFAA C[C@@H]1CC[C@@H](NC(=O)CCc2cccc3ccccc23)C(=O)N1 2325770184 OXHNWPKSZVISSQ-CXAGYDPISA-N 310.397 2.556 0 50 DFAA NC(=O)c1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 117856565 WJWTUHIIWZCHEO-UHFFFAOYSA-N 312.394 2.777 0 50 DFAA O=S(=O)(Nc1ccc(Br)cn1)c1ccccc1 36083 ITHLDYOAUIAZES-UHFFFAOYSA-N 313.176 2.645 0 50 DFAA COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O 39091 AIONOLUJZLIMTK-CQSZACIVSA-N 302.282 2.519 0 50 DFAA endogenous,in-man CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 127152 YHYCQZACDQTHLU-BONVTDFDSA-N 318.373 2.665 0 50 DFAA COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1 451071 DDOAJTSFPPPXRV-UHFFFAOYSA-N 310.147 2.633 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 460229 HHEWSGCCJXQABC-UHFFFAOYSA-N 305.355 2.699 0 50 DFAA O=C1CCCC[C@H]1[C@]1(O)C(O)=Nc2ccc(Br)cc21 1303087 BNDMKODEBNRHAF-YMTOWFKASA-N 324.174 2.998 0 50 DFAA Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1 3524369 ZXMBDKVIJKSUJC-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA COC(=O)c1cc(C)sc1NC(=O)CSc1ccccn1 6700201 IPAHICLTNROAMY-UHFFFAOYSA-N 322.411 2.969 0 50 DFAA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCO1 6728634 CQASBORKJLTOCB-GZMMTYOYSA-N 324.229 2.839 0 50 DFAA CC[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 8498250 AVTXIJIWBMDGCZ-MRXNPFEDSA-N 310.353 2.829 0 50 DFAA CC[C@@H]1CN2CCC[C@H]2CN1CCC(=O)Nc1ccccc1F 245428424 MNTZGVJPCGZNPY-CABCVRRESA-N 319.424 2.713 0 50 DFAA Cc1ccc(NC(=O)CC(=O)N(C)[C@@H](C)c2nccs2)cc1 55357856 KCOOTRXCSXFYRL-LBPRGKRZSA-N 317.414 3.000 0 50 DFAA CN1CCC2(CC1)OCCN2C(=O)c1ccc(C(C)(C)C)cc1 28292578 KXTLAHOTWOUWSK-UHFFFAOYSA-N 316.445 2.878 0 50 DFAA C[C@H](c1ccccn1)N(C)Cc1ccc(S(C)(=O)=O)cc1 65419146 MRKAZHCVDGBLKC-CYBMUJFWSA-N 304.415 2.678 0 50 DFAA Cc1ccc(OCC(=O)NCCC2CCN(C)CC2)c(C)c1 65364655 NVDOOYISDMLMQG-UHFFFAOYSA-N 304.434 2.530 0 50 DFAA O=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1ccc[nH]1 67908934 RQAVJZWWTXTMSQ-CQSZACIVSA-N 301.390 2.640 0 50 DFAA O=C(O)c1cn(C[C@@H]2CCCO2)cc(Oc2ccccc2)c1=O 65405737 QZRRGRAPYIKMDE-ZDUSSCGKSA-N 315.325 2.518 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 348239031 GHBACFIVHYTOJI-CJNGLKHVSA-N 321.323 2.825 0 50 DFAA O=C(NC1CCCCC1)N1CCN(Cc2cccc(F)c2)CC1 20437758 GSXNJYFLFZZDTP-UHFFFAOYSA-N 319.424 2.986 0 50 DFAA CCN(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CO 110659230 ZYXAEBFDFKOWML-UONOGXRCSA-N 305.422 2.815 0 50 DFAA O=C(Cc1ccccc1OC(F)F)N1CC[C@H](N2CCCC2)C1 118328061 CSYFECUYNMHJMF-AWEZNQCLSA-N 324.371 2.527 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)NC[C@@H](O)c1cccc(F)c1 229674556 KYWHBGUHNDJJOB-WQVCFCJDSA-N 309.381 2.571 0 50 DFAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N(CCC(F)(F)F)CC1CC1 230229405 LRNUAFWHXQEDEW-ZDEQEGDKSA-N 304.356 2.551 0 50 DFAA COc1ccc2c(c1)CCCCN2C(=O)CCc1cncn1C 253428747 LOXUJFQFGLRXRC-UHFFFAOYSA-N 313.401 2.731 0 50 DFAA Cn1c(CCNC(=O)[C@@H]2Cc3ccccc32)nc2ccc(F)cc21 358477088 LPTMYUOECHDGMJ-OAHLLOKOSA-N 323.371 2.711 0 50 DFAA Cn1c(SCc2ccc(F)cc2Cl)nc2c(=O)[nH]cnc21 12427872 GDOBFCRBZAPPJJ-UHFFFAOYSA-N 324.768 2.741 0 50 DFAA biogenic,in-vitro COC(=O)N1CCC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 151849161 REBNVQJWHOFCPR-KGLIPLIRSA-N 309.406 2.999 0 50 DFAA CO[C@@H]1CC[C@@H]2OCCN(CCC(=O)c3ccc(F)cc3)[C@H]2C1 240444198 FWNKJFKPOYSMAT-RYRKJORJSA-N 321.392 2.667 0 50 DFAA COc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c(OC)c1 155560513 JCDABTZILAJXGG-UHFFFAOYSA-N 324.340 2.741 0 50 DFAA OC[C@H]1CCCCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 375355555 XEAALUSPHAWKHS-INIZCTEOSA-N 317.408 2.665 0 50 DFAA O=C(Cc1cccc(O)c1)N1CCCN(C2CCCCC2)CC1 72417769 RMZRIFCHGMHIHH-UHFFFAOYSA-N 316.445 2.802 0 50 DFAA O=C(NC[C@]1(O)CCc2ccccc21)c1cccc2[nH]ccc12 158335961 GUYABBTYMORXAP-LJQANCHMSA-N 306.365 2.732 0 50 DFAA COc1ccccc1-c1ccnc2nc(-c3ccncc3)nn12 71288673 ZKPKABWHGWKPPG-UHFFFAOYSA-N 303.325 2.862 0 50 DFAA O=S1(=O)CC[C@]2(CCCN(c3ccnc4ccccc34)C2)C1 333644803 CTQGGSTUABHVKZ-KRWDZBQOSA-N 316.426 2.640 0 50 DFAA C[C@H](CNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 241588007 OYWPOUFNVPJIBC-NZQZLILVSA-N 310.344 2.687 0 50 DFAA COC[C@H](O)CN[C@H](Cc1cccnc1)c1cccc(Cl)c1 338789961 ITPHMXPUIMKBCZ-IAGOWNOFSA-N 320.820 2.616 0 50 DFAA CC[C@@H](C(=O)O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 263559196 ASMLKDRZRUUIBX-KGLIPLIRSA-N 314.389 2.514 0 50 DFAA Cc1cc(NC(=O)NCCSCc2ccccc2)n(C)n1 43434713 DVSKALZRPJIXRD-UHFFFAOYSA-N 304.419 2.783 0 50 DFAA COc1ccc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)o1 82137809 IXNKFZYOJBKMPU-CQSZACIVSA-N 316.357 2.505 0 50 DFAA CC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C 82134531 SPQPSLCAZFWUJF-INIZCTEOSA-N 303.450 2.697 0 50 DFAA Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc(C)n1C(F)F 426359595 IOZULBPDCGFZNS-UHFFFAOYSA-N 310.348 2.814 0 50 DFAA O=C(NCCNc1cccnc1)c1ccc2cccc(F)c2n1 91493761 PPNAQWBJLNYYEO-UHFFFAOYSA-N 310.332 2.611 0 50 DFAA O=c1cc(CN2CCC[C@@H](O)CC2)[nH]c2c(Cl)cccc12 91876630 ZLBANFABPOYQGP-GFCCVEGCSA-N 306.793 2.528 0 50 DFAA CCN1CCC[C@H](C(=O)NCCCSCc2ccco2)C1 97137481 POFTWBOEZCTZIJ-AWEZNQCLSA-N 310.463 2.751 0 50 DFAA O=C(Cn1ccc2ccccc2c1=O)N1CC2(CCC2)[C@@H]1C1CC1 291196668 UKJHFCKXEUXHES-SFHVURJKSA-N 322.408 2.793 0 50 DFAA COc1cccc2c1OC[C@H](Cc1ccc(CC(N)=O)cc1)C2 95356320 LIDAJJUGYZHOFX-OAHLLOKOSA-N 311.381 2.517 0 50 DFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1 245254036 XYBFUWKBQOPFHB-OBJOEFQTSA-N 312.291 2.568 0 50 DFAA CN(C)c1ccc(C2(C(=O)N[C@@H]3CCOC(C)(C)C3)CC2)cc1 293574666 QLCOKIHTCCUSRG-OAHLLOKOSA-N 316.445 2.858 0 50 DFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(F)c1F 252553256 VITVWDBJDBEXFD-MMPTUQATSA-N 318.323 2.602 0 50 DFAA CC(C)CN1CCN(Cc2cccc(O)c2Cl)[C@H](C)C1=O 352974848 FFGJFEMXJDNQCC-GFCCVEGCSA-N 310.825 2.734 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)Cc1ccccn1)CC2 299747139 CBQQPVDFGRNMLG-ZDUSSCGKSA-N 312.417 2.692 0 50 DFAA CN(Cc1ccc(OC[C@H]2CCCNC2)cc1)Cc1ccon1 299779275 QLAANEADKAOKSL-INIZCTEOSA-N 315.417 2.685 0 50 DFAA COc1ncc(CN2CCCC[C@H]2CCc2ccccn2)cn1 824851758 CYGQSRDSIRRAPJ-KRWDZBQOSA-N 312.417 2.868 0 50 DFAA COc1cc(CCN[C@H]2CCC3(C[C@H]2F)OCCO3)ccc1C 585135785 BFHHMLBYSODCKS-CVEARBPZSA-N 323.408 2.769 0 50 DFAA COc1ccc2nc(CCNC3CSCCSC3)[nH]c2c1 584899544 YKJULQFUKNRRRW-UHFFFAOYSA-N 323.487 2.552 0 50 DFAA Cc1cc(C[C@H](C)n2cnc3cccc(Cl)c3c2=O)n[nH]1 670473723 YWCUBLDSZUZFBJ-JTQLQIEISA-N 302.765 2.885 0 50 DFAA CCCc1cnc(C)nc1N1CCC[C@H](c2cc(O)ncn2)C1 670441950 KJTWBBHVKHJJDK-AWEZNQCLSA-N 313.405 2.617 0 50 DFAA Cc1c(NC(=O)[C@H]2CCCCCN2C)cccc1C(=O)N(C)C 952868460 PAPCWXVZCCDHKH-MRXNPFEDSA-N 317.433 2.510 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H](C)c2cccs2)cn1 275253553 APAJULTYDCIUDX-OSAQELSMSA-N 319.430 2.714 0 50 DFAA Cc1n[nH]c2ncc(NCc3nccn3CC(F)(F)F)cc12 170604586 JKXMDFZRHVDBSE-UHFFFAOYSA-N 310.283 2.637 0 50 DFAA O=C(CO)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 187766081 KQBKNXGWSNAKKE-LBPRGKRZSA-N 316.170 2.538 0 50 DFAA O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)N[C@H]1[C@H]2CCC[C@H]21 664774972 RRMHYJALZBNRDH-VIQHNZTISA-N 300.402 2.657 0 50 DFAA Cc1c(NC(=O)NC[C@]2(C)CCOC2)cnn1-c1ccccc1 676445239 QRQDURWPURGADY-KRWDZBQOSA-N 314.389 2.729 0 50 DFAA COC(=O)c1cc(CNC(=O)c2ccc(C(C)C)cc2)ccn1 585128370 ZOGAOHAEIQLIRS-UHFFFAOYSA-N 312.369 2.922 0 50 DFAA CCc1csc(CC2CCN(Cc3ncccn3)CC2)n1 653804655 WSYVUYNGDPMVRX-UHFFFAOYSA-N 302.447 2.950 0 50 DFAA Cn1cnc2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc21 1652576670 ZZQPDZFKJMDRGQ-UHFFFAOYSA-N 307.313 2.809 0 50 DFAA Cc1cc(C(=O)N(C)Cc2cccc3cnccc23)nc(C)n1 1506429434 XXBDFXBEOFMYKT-UHFFFAOYSA-N 306.369 2.914 0 50 DFAA Cc1cc(C)n(C[C@@H](C)N2CC(Oc3ccccc3F)C2)n1 1506413729 UNKDLSOHALFRKI-CQSZACIVSA-N 303.381 2.791 0 50 DFAA Cc1cccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)c1F 1704306940 YIGNELODHQAFJT-IAGOWNOFSA-N 300.377 2.565 0 50 DFAA COc1cccc(-c2noc3c2CN(c2ncccn2)CC3)c1 12204073 KZSDXKQAAHUNPU-UHFFFAOYSA-N 308.341 2.703 0 50 DFAA COc1cccc(CN2CCN(C/C=C/C(C)C)CCC2=O)c1 12205794 IVPXPIUIMOUVTN-AATRIKPKSA-N 316.445 2.942 0 50 DFAA Cc1ccc(CNC(=O)CSc2nc(C)cc(C)n2)cc1 16606974 ACIQKKIUZQIEJU-UHFFFAOYSA-N 301.415 2.810 0 50 DFAA CCc1nccc(-c2nccn2-c2ccc(OC)c(OC)c2)n1 1857729578 QCGAGUWVHULHIO-UHFFFAOYSA-N 310.357 2.909 0 50 DFAA CCCC[C@@H](C)C(=O)N1CCN(c2cc(C)nc(C)n2)CC1 225733690 QMKXRWFXRJHFFO-CYBMUJFWSA-N 304.438 2.568 0 50 DFAA Brc1ccc2ncnc(NC[C@H]3CCCO3)c2c1 4195027 JGMLHIFGTOQNMN-SNVBAGLBSA-N 308.179 2.983 0 50 DFAA Cc1csc(-c2cccc(C(=O)N3CCC[C@@H]3C(=O)O)c2)n1 237669163 KVZLMJQOOPVCGV-CYBMUJFWSA-N 316.382 2.808 0 50 DFAA CCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 250705847 WDAVNFVFHOYWEZ-UMVBOHGHSA-N 310.438 2.796 0 50 DFAA COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](CCO)C(C)(C)C 164335189 QREVSTVPCXHZLV-HOCLYGCPSA-N 320.433 2.779 0 50 DFAA CON1CCC(Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 904370890 JSDLMHDVEMVGNS-UHFFFAOYSA-N 309.316 2.831 0 50 DFAA Cc1ncoc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1 816710007 WKEUYQQTZWVRJE-MRXNPFEDSA-N 313.401 2.654 0 50 DFAA Cc1cc(SCc2ccn(C)c(=O)c2)nc(-c2ccccn2)n1 1875288360 YAHHSHNEDFLSFO-UHFFFAOYSA-N 324.409 2.838 0 50 DFAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1cscc1F 1875308892 GLOLOKKGYCKNLO-SECBINFHSA-N 309.366 2.767 0 50 DFAA N[C@@H]1CCC12CCN(C(=O)[C@H](Cc1ccccc1)C1CC1)CC2 1875316074 SUGLOPRXTUEDIO-QZTJIDSGSA-N 312.457 2.985 0 50 DFAA CC(C)c1ncc(C(=O)N2CC[C@H](C(=O)O)c3ccccc32)[nH]1 1773094442 PPZUJHXFIPLGIT-LBPRGKRZSA-N 313.357 2.752 0 50 DFAA Cc1cc(NC(=O)N2CCC[C@@H](c3cn[nH]c3)C2)cn2ccnc12 1775986461 NDVBXUCDZCCEME-CYBMUJFWSA-N 324.388 2.777 0 50 DFAA COCc1nc(C)cc(N[C@@H](CN(C)C)c2ccccc2C)n1 1775989287 JQRBSLSGYDAMBT-INIZCTEOSA-N 314.433 2.955 0 50 DFAA O=C(c1cccc2ncnn12)N1CC=C(c2ccc(F)cc2)CC1 346452811 GYTUTAFLLSLZCP-UHFFFAOYSA-N 322.343 2.798 0 50 DFAA Cn1nc2ccccc2c1-c1noc([C@@]2(C)CNC(C)(C)C2)n1 2325809112 GVKXFKRFOFGRDQ-QGZVFWFLSA-N 311.389 2.653 0 50 DFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1Cc2cc(F)c(F)cc2C1 1434121543 YJUYYSWZGGEYBJ-UHFFFAOYSA-N 317.217 2.863 0 50 DFAA C[C@@H]1CN(C(=O)c2cccc3c2OCO3)c2ccccc2NC1=O 150751675 ULWBIWWRWAIGTA-LLVKDONJSA-N 324.336 2.650 0 50 DFAA COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187318 DALGDMAVNXHKCK-DLBZAZTESA-N 322.364 2.865 0 50 DFAA biogenic Cc1noc(C)c1C(=O)NCc1ccccc1Br 1056253 SMIAHNNUVZYXLO-UHFFFAOYSA-N 309.163 2.984 0 50 DFAA CC[C@H](CO)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 2683840 WFGJPSRVWGNXNX-LLVKDONJSA-N 317.780 2.652 0 50 DFAA CCOC(=O)C(CCCOc1cccc(OC)c1)C(=O)OCC 2880453 NNASCQDGQQFNKQ-UHFFFAOYSA-N 324.373 2.597 0 50 DFAA Cc1c(C)n(CCO)c2ncnc(Nc3ccc(F)cc3)c12 6660631 IRCGXVCHEBEFQR-UHFFFAOYSA-N 300.337 2.923 0 50 DFAA COCc1nnc2sc(Cc3ccc4c(c3)CCCC4)nn12 6669832 MDKWKBSKHSCIFL-UHFFFAOYSA-N 314.414 2.802 0 50 DFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NCCc2ccc(F)cc2)C1 6730755 JHSLJHDRTMYVSZ-JKSUJKDBSA-N 319.376 2.932 0 50 DFAA COc1cccc(NC(=O)N2CCN(Cc3ccco3)CC2)c1 6742512 UJNZQVFAHKRAJA-UHFFFAOYSA-N 315.373 2.638 0 50 DFAA CN(CCO)C1(CNc2ncnc3ccsc23)CCCCC1 225388345 RENZWRWUBCKBPP-UHFFFAOYSA-N 320.462 2.730 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)NC(=O)c2ccc(F)cc2)cc1 20399238 QSSTYEAPQAUCFO-LBPRGKRZSA-N 300.333 2.891 0 50 DFAA Cc1cc(CN(CCN(C)C)Cc2ccccc2C)n(C)n1 55393083 JQAIZPAUROBVHQ-UHFFFAOYSA-N 300.450 2.601 0 50 DFAA CC(C)Cc1cn(CC2CCN(C(=O)c3ccoc3)CC2)nn1 23367376 RMKZOFJESRIINI-UHFFFAOYSA-N 316.405 2.622 0 50 DFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cn2ccccc2n1 249710669 DKEINZADBPCOBJ-BMFZPTHFSA-N 313.401 2.640 0 50 DFAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnn2ccn(C)c12 67688610 FCNWWUWENAJOPO-LBPRGKRZSA-N 321.384 2.987 0 50 DFAA COc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccccc1C(=O)O 65488498 NPKMKLUSAJJMCH-LLVKDONJSA-N 313.309 2.573 0 50 DFAA Cc1ccc(NC(=O)CNCCNc2ncccc2C)c(C)c1 65398119 AKUXYBGIJCPHSF-UHFFFAOYSA-N 312.417 2.647 0 50 DFAA CCCNC(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1 229428285 CNQJZYYIRXLFFD-HUUCEWRRSA-N 324.490 2.942 0 50 DFAA Cc1cc(C)n(C(=O)Cc2nnc(-c3cc(F)cc(F)c3)o2)n1 409444225 QNCXBTPPXOEIQB-UHFFFAOYSA-N 318.283 2.711 0 50 DFAA Cc1cccc(C[S@](=O)CC(=O)N[C@H]2CCCC[C@H]2C)c1 230238641 VSLUSKMWPOQKMK-ZJTDPSCFSA-N 307.459 2.939 0 50 DFAA Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)nn1 330243858 JZXDWSACBGBOPI-YOEHRIQHSA-N 322.412 3.543 0 50 DFAA CSc1ccc(-n2ccnc2-c2cc3n(n2)CCNC3)cc1 72475026 CDVQXSNHJQIYJU-UHFFFAOYSA-N 311.414 2.561 0 50 DFAA CCC1(CC)CN(Cc2cnc(-c3ccccn3)nc2)CCO1 216141476 TWWQPDUHSOEXCO-UHFFFAOYSA-N 312.417 2.930 0 50 DFAA Cn1nccc1[C@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 374776906 KRYICNQWHVVILV-ZDUSSCGKSA-N 308.385 2.921 0 50 DFAA CC[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1C 77419094 ITTVCAJGVZYROY-HNNXBMFYSA-N 311.385 2.703 0 50 DFAA C[C@@H](C(=O)N[C@@H]1CCOc2c(Cl)cccc21)c1cncnc1 332144412 LFNTXIONNOFFSO-QMTHXVAHSA-N 317.776 2.874 0 50 DFAA Cc1nn2c(N3CCC(O)CC3)cc(-c3ccccc3)nc2c1C 72474942 SUHDQQUUPMVDBD-UHFFFAOYSA-N 322.412 2.974 0 50 DFAA Cc1nc(C)c(CCNC(=O)N2CCn3cccc3[C@H]2C)s1 171767834 KWLSOBOQLRBIFQ-GFCCVEGCSA-N 318.446 2.890 0 50 DFAA COCc1cc(NCCc2ccc(OC)cc2)n2nccc2n1 72431119 LGYGZSPNAFYKMP-UHFFFAOYSA-N 312.373 2.539 0 50 DFAA CN(C[C@H]1CC2(CCC2)C(=O)O1)[C@H](CCO)c1ccccc1 239367129 AHQLEXIJLLWYGR-HZPDHXFCSA-N 303.402 2.528 0 50 DFAA CC[C@H]1CCCC[C@H]1CNC(=O)NC1CCC(C(=O)NC)CC1 454404495 KAMRIVMKGDMTGF-UIDBIOKJSA-N 323.481 2.807 0 50 DFAA C[C@@H](c1nnnn1C1CC1)N1Cc2ccccc2OC(C)(C)C1 288577353 BWKHWZCMBHGMTE-LBPRGKRZSA-N 313.405 2.742 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[C@H]2C)c(C)c1 241338559 MBSQFWWFAAWSBC-ZLDLUXBVSA-N 318.442 2.799 0 50 DFAA Cc1cc(=O)c(C(=O)N2CCC3(CCCCCC3)C2)cn1C 426642899 NEYYEEUJFLPIJI-UHFFFAOYSA-N 302.418 2.880 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1nccs1 82137509 XMFZENRQOYGFOY-AWEZNQCLSA-N 318.446 2.790 0 50 DFAA CCCC[C@@H](CC(=O)O)NC(=O)N(C)Cc1ccncc1C 426508111 PNSNKPFUZKMKFW-AWEZNQCLSA-N 307.394 2.565 0 50 DFAA C[C@H]1CCCCN1C1CN(c2nccc(-c3ccccn3)n2)C1 97713543 IJNBFPODHKAGHG-AWEZNQCLSA-N 309.417 2.602 0 50 DFAA COC(=O)Cc1cccc(-c2ccc(F)c(C(=O)OC)c2)c1 97757056 SXTSRPRJPFZLMD-UHFFFAOYSA-N 302.301 2.995 0 50 DFAA CN1CCCC[C@@H]1CCC(=O)NCCCn1nccc1C1CC1 95363322 XIGLPOZZBQNPAK-MRXNPFEDSA-N 318.465 2.531 0 50 DFAA Cc1cc(C)c2[nH]c(CN3CCN(C(C)C)CC3)cc(=O)c2c1 91625461 QZKQYRNDKMVQOC-UHFFFAOYSA-N 313.445 2.671 0 50 DFAA CCOC[C@@H]1CCCN1C(=O)c1c(C)n(C)c2ccc(O)cc12 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COc1ccc(Br)cc1CN1CCCN(C)CC1 22045102 BGHUVDUFYUNZIO-UHFFFAOYSA-N 313.239 2.595 0 50 DFAA CN(Cc1ccccc1)c1ncccc1CNCc1nccn1C 12317690 KWJCBGFWBOAJIC-UHFFFAOYSA-N 321.428 2.741 0 50 DFAA COCC1(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)CCC1 65509064 ISJCMVVTCJXLMI-UHFFFAOYSA-N 307.438 2.591 0 50 DFAA CC[C@H](C(N)=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 171078348 PIZHEYLTLOPNPR-CYBMUJFWSA-N 321.808 2.925 0 50 DFAA CCCC(=O)N[C@@H]1CCCN(C(=O)N2CCc3ccccc32)C1 253394338 BANJVRCMQCZQMC-OAHLLOKOSA-N 315.417 2.550 0 50 DFAA Cc1ccc(CN(C)C)cc1NC(=O)c1nnc2ccccc2n1 253404632 BYLRZDGCNVVXRV-UHFFFAOYSA-N 321.384 2.647 0 50 DFAA Cn1cnnc1C1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 328847889 AUSKFTRVYXOYLD-UHFFFAOYSA-N 322.412 2.794 0 50 DFAA Cc1c([C@@H](C)NCc2nccn2C)cnn1-c1cccc(F)c1 12438243 PGZDTMVBWBWLIF-GFCCVEGCSA-N 313.380 2.904 0 50 DFAA Cc1ncc(Cl)c(C(=O)Nc2cc(C(=O)O)ccc2C)n1 120256285 ZVILRSQLCNGNER-UHFFFAOYSA-N 305.721 2.697 0 50 DFAA COc1ccccc1OC1CCN(C(=O)c2ncoc2C)CC1 77341497 CPNCDXDFLYXHDE-UHFFFAOYSA-N 316.357 2.675 0 50 DFAA CN(C(=O)c1ccc[nH]1)[C@H]1CCCN(Cc2ccccc2F)C1 72419862 NOTWGVXRKMTNAX-HNNXBMFYSA-N 315.392 2.890 0 50 DFAA CCSc1ncc(CN(C)CCn2nc(C)cc2C)cn1 216152807 NISTUTUAVXXYOJ-UHFFFAOYSA-N 305.451 2.534 0 50 DFAA C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2nncn2c1 332621842 WXHUXNKKVUMETE-GXSJLCMTSA-N 312.295 2.532 0 50 DFAA COC1CCC(N(C)C(=O)c2coc(C3CCOCC3)n2)CC1 332636948 GRSOHPRHNXOYDX-UHFFFAOYSA-N 322.405 2.598 0 50 DFAA CCO[C@H](C(=O)Nc1cnc2[nH]nc(C)c2c1)c1ccccc1 127326894 WEVWNBYZDKPQAH-HNNXBMFYSA-N 310.357 2.983 0 50 DFAA CC(C)Cn1ncc(NC(=O)N2C[C@@H](C)C[C@@H](O)C2)c1C1CC1 333054425 CEEMBIDOBFAKLU-GXTWGEPZSA-N 320.437 2.651 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](O)CC12CCC2 333767072 QLRZFDUCYHZMMN-CQSZACIVSA-N 312.369 2.861 0 50 DFAA COc1ccc([C@H](CN(C)C)NC(=O)c2oc(C)cc2C)cc1 241862502 SQQAWUAAQACSMA-INIZCTEOSA-N 316.401 2.938 0 50 DFAA O=C(Nc1nnc(C2(c3ccccc3)CC2)s1)c1cnccn1 242338968 ZDVSAWRHVFRPJB-UHFFFAOYSA-N 323.381 2.660 0 50 DFAA Cn1ccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 82087860 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Cc1cccc(=O)n1CCC(=O)N1CC=C(c2ccccc2)CC1 97757923 ARCCPTRGTXNAOZ-UHFFFAOYSA-N 322.408 2.863 0 50 DFAA Cc1ccc2nc(C(=O)N3CCC[C@H]3c3cc(C)no3)cn2c1 91505349 GZSQEAQYCUSVBC-AWEZNQCLSA-N 310.357 2.916 0 50 DFAA CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](CNC)C1 179010222 OFJWXCPVKNXQQB-TZMCWYRMSA-N 310.825 2.565 0 50 DFAA COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C2CCC2)C3)c1 96151088 FNKMNQLAVFUSEL-UHFFFAOYSA-N 311.385 2.770 0 50 DFAA CCC[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@H]1C(=O)O 91412496 XKMOMAMVRHMUQD-TZMCWYRMSA-N 306.406 2.816 0 50 DFAA Cc1ncnc(N2CCC3(CCC(=O)N(C(C)C)C3)CC2)c1C 91656093 ZAROMHIYULAJHN-UHFFFAOYSA-N 316.449 2.711 0 50 DFAA Cc1cc(C)c2[nH]c(C(=O)N(C)C[C@@H]3COCCO3)c(C)c2c1 91746602 IAJQOFGIAFIINF-CQSZACIVSA-N 316.401 2.581 0 50 DFAA O=C([C@H]1CCNC1)N(Cc1c(F)cccc1F)C1CCCC1 237771817 DWWFIACPLILDET-LBPRGKRZSA-N 308.372 2.846 0 50 DFAA C[C@H](NC(=O)c1ccccc1OC(F)(F)F)c1nccn1C 620605021 YFADMDXUGPLMOW-VIFPVBQESA-N 313.279 2.810 0 50 DFAA Cc1ccc(C(=O)NC[C@]2(C)OCCc3sccc32)nc1C 298295350 INFKUZKAMAXUNG-KRWDZBQOSA-N 316.426 2.978 0 50 DFAA CC(C)c1ccc([C@H](N)CNC(=O)CCc2ccon2)cc1 585136359 BQLZMDZFKFYMNE-MRXNPFEDSA-N 301.390 2.547 0 50 DFAA CCOC(=O)N1CCN(c2ccc(Br)cc2)CC1 65336821 XSUYOZYMCAGVLG-UHFFFAOYSA-N 313.195 2.728 0 50 DFAA in-vitro Cc1ccc(-c2ccc(C(=O)N3CC(=O)N[C@@H](C)C3)cc2)cc1 952987387 KMLYFCQVVDTOMR-AWEZNQCLSA-N 308.381 2.623 0 50 DFAA C[C@H](C(=O)N1CCCCC1)S(=O)(=O)C1CCC(C)(C)CC1 408274807 OYAUPLGQFOUUQM-CYBMUJFWSA-N 315.479 2.771 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1cccc(OC)c1)C2 1565505772 JHUVHJKLAQZLNJ-IRXDYDNUSA-N 316.445 2.571 0 50 DFAA Cc1cc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)c2ccc(F)cc2n1 1565526607 TYGCBVNPERRCKH-VBNZEHGJSA-N 300.333 2.590 0 50 DFAA CCNC(=O)c1ccc(-c2ccc(CC(=O)O)cc2)cc1F 74938299 LTDANUJJXHWHDW-UHFFFAOYSA-N 301.317 2.870 0 50 DFAA in-vitro O=C1CCC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)N1 270354888 ITDCHQQWALCQQB-GFCCVEGCSA-N 314.307 2.789 0 50 DFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 278285409 IZDNXIDZGUDKGM-ZBFHGGJFSA-N 318.417 2.575 0 50 DFAA CC[C@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccccc1F 170593040 COZATSBHYUTXSO-WFASDCNBSA-N 318.396 2.619 0 50 DFAA Cc1cccc(C)c1NC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 170616971 PZKMYKYPCAJBAA-HNNXBMFYSA-N 315.348 2.791 0 50 DFAA CO[C@@H]1CN[C@@H](C(=O)Nc2ccc3c(ccn3CC(C)C)c2)C1 187933851 LURNMGSQMFAMOO-JKSUJKDBSA-N 315.417 2.613 0 50 DFAA O=c1ccc(F)cn1Cc1nnc(-c2cccc(Cl)c2)o1 190750799 KSLMQQJVHTUGSW-UHFFFAOYSA-N 305.696 2.739 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cc(C(=O)O)co1 191672014 ZSIYXENKXBSJCU-OLZOCXBDSA-N 309.362 2.644 0 50 DFAA CC(C)(C(=O)N1CCC[C@@H]([C@H]2CCCNC2)C1)c1cccnc1 646377687 FOYZSFLEBBJKLG-JKSUJKDBSA-N 315.461 2.597 0 50 DFAA CCS(=O)(=O)N(Cc1cccnc1)c1ccc(C(C)=O)cc1 193618763 CIJDGXYRAMAWPJ-UHFFFAOYSA-N 318.398 2.641 0 50 DFAA Cn1nccc1CN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 195458097 WTTIKHBWRHJTKG-OAHLLOKOSA-N 322.453 2.593 0 50 DFAA OC[C@@]1(c2ccccc2)CCN(Cc2cnc3ccccc3n2)C1 660599193 YNBJWNXEKWGYKO-HXUWFJFHSA-N 319.408 2.766 0 50 DFAA COc1ccc(C[C@H](C)C(=O)Nc2nc3cnccc3[nH]2)cc1 760706424 CDDBFMKYQVOKQI-NSHDSACASA-N 310.357 2.784 0 50 DFAA Cc1c(NC(=O)c2ccc(Cl)cn2)c(N2CCCC2)nn1C 1506415139 MCIRWHXIJDSSKY-UHFFFAOYSA-N 319.796 2.629 0 50 DFAA CSc1ccc2nc(N3CC(=O)N[C@H](C)C3)cc(C)c2c1 1506431806 ZYBMTWVZNOCOBX-LLVKDONJSA-N 301.415 2.590 0 50 DFAA Cc1ncc(Cl)c(NCc2cccc(C(=O)N(C)C)c2)n1 1772703379 WZGNGDSGNPVNLW-UHFFFAOYSA-N 304.781 2.752 0 50 DFAA Cc1cc(C(=O)NCc2ccccc2F)c2c(C)nn(C)c2n1 14815173 BNLYGSCATXQMBJ-UHFFFAOYSA-N 312.348 2.654 0 50 DFAA O=C(O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 3684362 ICHGICSAGGEOPZ-UHFFFAOYSA-N 314.360 2.846 0 50 DFAA COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCCC[C@H]1CO 230183717 IBZJPHDRIGDHQX-SMDDNHRTSA-N 311.809 2.558 0 50 DFAA Cc1ccccc1C(=O)NCC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 120455228 DMWJWFCMAMETSW-IFXJQAMLSA-N 314.429 2.764 0 50 DFAA Cc1nc(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)no1 127226578 FCXHWPYHBLJKTO-UHFFFAOYSA-N 319.670 2.980 0 50 DFAA CCn1c(NCc2nnn(C(C)(C)C)n2)nc2cc(F)ccc21 902066877 TUOUIINQYYWCMJ-UHFFFAOYSA-N 317.372 2.549 0 50 DFAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)O)C1 907746695 MZLDWCKDPPAOJW-WVQJBOLRSA-N 305.374 2.869 0 50 DFAA Cc1cc(O)nc([C@@H](C)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)n1 931491159 LQFQRJHUXPFXFW-PVAVHDDUSA-N 324.428 2.510 0 50 DFAA NC(=O)c1cccc2c1CCN(c1ccnc(C(F)F)c1)C2 1875287137 WEWDTDVOHQDCTH-UHFFFAOYSA-N 303.312 2.681 0 50 DFAA FC1(F)C[C@@H]1OCCn1ncc2cncc(Br)c21 1875323078 WGADCGGMJJHCLF-VIFPVBQESA-N 318.121 2.618 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)Cc2ccccc2O1 1773608812 YCYFIZATWLNFCJ-CZUORRHYSA-N 308.381 2.606 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N1C[C@H](N)C2(CCC2)C1 1775962467 MJZIEMVJDNLWIO-JTQLQIEISA-N 302.296 2.560 0 50 DFAA CCC(CC)(C(=O)Nc1n[nH]c2c1CNCC2)c1ccccc1 1775984827 LZZMIJOXSVHRKN-UHFFFAOYSA-N 312.417 2.752 0 50 DFAA C[C@H]1C[C@@H](O)CN1C(=O)c1ccc(Br)c(Cl)c1 351786696 GKFPLZWZKXTGMO-IONNQARKSA-N 318.598 2.698 0 50 DFAA CS[C@H]1CCC[C@H]1C(=O)N1CCC(c2cnn(C)c2)CC1 2325741036 XNRWXTFJZVWOOR-CABCVRRESA-N 307.463 2.658 0 50 DFAA Cc1ccc(-n2[nH]c(=NC(=O)CCc3ncc(C)[nH]3)cc2C)cc1 2325780011 ZGSIPNUIJFQYLW-UHFFFAOYSA-N 323.400 2.514 0 50 DFAA CC1(C)C[C@@H](CC(=O)N2CC(c3ccc(C(=O)O)cc3)C2)CO1 2325812824 KMTOIEDCIIEZQO-GFCCVEGCSA-N 317.385 2.516 0 50 DFAA CCC(=O)N1CC[C@@H](N[C@@H]2CCCc3nc(CC)sc32)C1 126543860 ZYONKOPUOMJUFV-VXGBXAGGSA-N 307.463 2.683 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1c(F)cccc1Cl 110031 JPQUMIKONAGHIJ-VIFPVBQESA-N 311.740 2.920 0 50 DFAA Cc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1Cl 171619 XNRORHRSZDQNFW-UHFFFAOYSA-N 307.762 2.630 0 50 DFAA COC(=O)c1ccccc1NC(=S)NC(=O)C1CCCCC1 458608 LQDXVMKNUWKNGU-UHFFFAOYSA-N 320.414 2.867 0 50 DFAA CCN(CC)C(=O)c1cccc(-c2cnc3c(OC)nccn23)c1 2356144350 TUKUGPMGBRVQQZ-UHFFFAOYSA-N 324.384 2.887 0 50 DFAA O=C(c1cccc(I)c1)N1CCCC1 2766022 KOXMTKYMCPVDOM-UHFFFAOYSA-N 301.127 2.527 0 50 DFAA CC(C)NCCOCCOc1cccc(Br)c1 3000679 UBSORFBUBLWCLV-UHFFFAOYSA-N 302.212 2.843 0 50 DFAA C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(S(C)(=O)=O)cc1 248268035 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2.810 0 50 DFAA Cc1ccc(S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 34629032 JQKZJXZSXOYNRW-LJQANCHMSA-N 309.412 2.841 0 50 DFAA CC(C)(C)c1nnc(N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)s1 252477952 YMQASIMLPOXXKV-AVGNSLFASA-N 306.479 2.756 0 50 DFAA COc1cc(NC(=O)c2cn(C)nc2C)c(OC)cc1Cl 2754392 CYPIMMLOSPSBDP-UHFFFAOYSA-N 309.753 2.651 0 50 DFAA O=C(O)[C@@H]1[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@H]21 217774143 DQZCPPFEGWZUIO-WDNDVIMCSA-N 319.788 2.551 0 50 DFAA CCOC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 3897862 GPSQYFSWXQQJIQ-UHFFFAOYSA-N 311.337 2.779 0 50 DFAA in-vitro CSCc1nc(CNC(=O)c2cnn(C(C)C)c2)cs1 77456177 JAEZQWGBPQJLAB-UHFFFAOYSA-N 310.448 2.714 0 50 DFAA CCc1ccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)o1 354148101 HJUJXDKMXBHYID-GOSISDBHSA-N 312.413 2.775 0 50 DFAA CCCCc1nc(-c2nccn2CCn2nc(C)nc2C)c[nH]1 77390141 NWZRSSKAHKFPAJ-UHFFFAOYSA-N 313.409 2.524 0 50 DFAA CC[C@H](C)Sc1ncc(CN(C)CCc2cnn(C)c2)cn1 216454133 VPVZQECSYQGKPV-ZDUSSCGKSA-N 319.478 2.775 0 50 DFAA Cc1nccc(C2CCN(C(=O)c3ccc(C)c(O)c3)CC2)n1 216511772 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309.362 2.874 0 50 DFAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC1CCCCC1 462256 MFXXQAZKNSRQSK-AWEZNQCLSA-N 308.447 2.951 0 50 DFAA CN1CCC[C@]2(CCCN2C(=O)Nc2ccc(F)cc2F)C1=O 2356139734 JGJLGMCDKVSPLX-INIZCTEOSA-N 323.343 2.584 0 50 DFAA Cc1sc(-c2nc3ccccc3n2C)cc1S(=O)(=O)O 2479283 BTYIPTVHATVAJE-UHFFFAOYSA-N 308.384 2.857 0 50 DFAA CCCc1cnc(C)nc1N1CCC[C@]2(CCc3c[nH]nc32)C1 2356155631 KNNCARLRPBTPIF-SFHVURJKSA-N 311.433 2.945 0 50 DFAA CCCCNC(=O)NCCCCCCNC(=O)NCCCC 4774878 QTKHOCFYHBMFJD-UHFFFAOYSA-N 314.474 2.745 0 50 DFAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100633674 SAKZDPJUMLIXQB-ZIAGYGMSSA-N 319.744 2.634 0 50 DFAA O=C(Nc1cnn(CC(F)F)c1)c1ccc(C(F)(F)F)nc1 116839060 SJPDHLWAFGOVET-UHFFFAOYSA-N 320.221 2.814 0 50 DFAA C[C@@H](NC(=O)c1cccc(F)c1)C(=O)Nc1ccccc1F 20292802 JDVVAHXJUKOODZ-SNVBAGLBSA-N 304.296 2.722 0 50 DFAA CO[C@@H](C(=O)N(C)Cc1nc2ccccc2n1C)c1ccccc1 67446903 HHPBJMODIKBIIW-GOSISDBHSA-N 323.396 2.919 0 50 DFAA CC(C)c1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)n[nH]1 409415246 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O=C(NC[C@H](O)C1CCCCC1)c1ccc2nc(S)oc2c1 150771855 XSJLVBHBAQGJTP-ZDUSSCGKSA-N 320.414 2.788 0 50 DFAA Cc1ccc2c(c1)N(CC(=O)Nc1c(C)n[nH]c1C)C[C@H](C)O2 331784004 NRJQVVRQOQHQNN-NSHDSACASA-N 314.389 2.561 0 50 DFAA Cn1c(CCNC(=O)c2ccccc2F)nnc1-c1ccccc1 361544983 HBYNHYTWIMFIIJ-UHFFFAOYSA-N 324.359 2.594 0 50 DFAA Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccccc2CC(=O)O)n1 262478475 KGRTXMPCWDQNTL-ZDUSSCGKSA-N 315.373 2.717 0 50 DFAA Cc1nc(C)c(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)o1 127560548 DYFMYWAATIHFEB-SECBINFHSA-N 304.321 2.822 0 50 DFAA C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OCC(=O)O)cc1 263042778 NJWBDGLTGLDUHC-CHWSQXEVSA-N 303.358 2.684 0 50 DFAA Cc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1F 13320328 BGWVUYLMJAUSNC-UHFFFAOYSA-N 314.364 2.883 0 50 DFAA Cc1cccc(NC(=O)N2CCN(Cc3ccncc3)CC2)c1 13324478 RWQCGVXQYAHRSU-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1n[nH]c2ccccc12 215576939 ZSRSPHQXFQBHDT-ZDUSSCGKSA-N 307.353 2.639 0 50 DFAA FC(F)(F)c1ccccc1[C@@H]1C[C@H]1N=c1ncnc2[nH][nH]cc1-2 337657622 QIBJMDLILLXKMU-JOYOIKCWSA-N 319.290 2.713 0 50 DFAA Cc1ccc(CN(C)c2cc(N3CCOCC3)ncn2)cc1C 450927536 CTBDYSBDCAPBQF-UHFFFAOYSA-N 312.417 2.566 0 50 DFAA Cc1occc1C(=O)N1CCC[C@H](OCc2cccnc2)C1 82097373 NDCOYCLXLUHAQU-HNNXBMFYSA-N 300.358 2.804 0 50 DFAA O=C(NCCc1cn[nH]c1)[C@@]1(c2ccccc2)CC12CCCC2 426380169 UJDZDQBLATVLMF-IBGZPJMESA-N 309.413 2.971 0 50 DFAA Cc1nc([C@H]2CCOC2)cc(N(C)CCC2CCOCC2)n1 426613039 ZLPZIVKKHLJPBK-HNNXBMFYSA-N 305.422 2.542 0 50 DFAA CN(Cc1ccc(-c2cc[nH]n2)s1)Cc1[nH]nc2c1CCC2 97527307 CNCHLVYRKGAJDK-UHFFFAOYSA-N 313.430 2.982 0 50 DFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2[nH]c(C)nc2c1 97759309 DXQUVWMGYRRXLC-KRWDZBQOSA-N 324.384 2.726 0 50 DFAA Cn1nc(-c2ccccc2)cc1NC(=O)N1CCSCC1 95508324 UODIMLAALICNCF-UHFFFAOYSA-N 302.403 2.668 0 50 DFAA Cc1cc(CNc2nnc(C(F)F)o2)cc(N2CCCC2)n1 293186388 TZVKKXKFHIZYHD-UHFFFAOYSA-N 309.320 2.923 0 50 DFAA COc1ccc(OC)c([C@H]2CCN(c3nc(CO)cs3)C2)c1 95508788 MRRNEVOOLNUAAB-NSHDSACASA-N 320.414 2.647 0 50 DFAA CC(C)c1cc(CN(C)CC(=O)NCc2cccs2)on1 244601738 DRDVIFVPCFDKOE-UHFFFAOYSA-N 307.419 2.608 0 50 DFAA COc1cccc2c1OCCCN(CCCn1cccn1)C2 252487721 IAPIAZSWBAXNPA-UHFFFAOYSA-N 301.390 2.567 0 50 DFAA COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1C2=C(C)C 257359364 ZVOWGHVLUVCEMO-NPKUZRJJSA-N 316.397 2.887 0 50 DFAA O=C(CCCn1cncn1)N1CC[C@@H](c2ccccc2Cl)C1 299768638 OPKLQXQGARBJTI-CYBMUJFWSA-N 318.808 2.728 0 50 DFAA Cc1cc(NC(=O)[C@H]2Cc3ccccc3S2)cc(C(N)=O)c1 1460233528 SGTQQIMOESMVOC-OAHLLOKOSA-N 312.394 2.749 0 50 DFAA Cc1cc(S(=O)(=O)NC(=O)C2CC3(CCC3)C2)sc1C 408495783 FLPCQQPWILGTBL-UHFFFAOYSA-N 313.444 2.750 0 50 DFAA C[C@@H]1CCCN(Cc2ccc(NC(=O)c3cncnc3)cc2)C1 273678408 YVGPNVSLCBGPSZ-CQSZACIVSA-N 310.401 2.961 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2)[C@@]12CCCO2 273656026 JJOFAOOMNPEFEV-NUJGCVRESA-N 318.417 2.555 0 50 DFAA Cc1nnc(CN[C@H]2CCCC[C@@H]2OCc2ccccc2)n1C 170085294 LPGZCFMRYUEVOG-IRXDYDNUSA-N 314.433 2.741 0 50 DFAA CCOc1cc(-c2noc(CC[C@@H]3CCCO3)n2)ccc1O 278065300 MIVOIWUDXOWETJ-LBPRGKRZSA-N 304.346 2.953 0 50 DFAA Cc1nc(C(=O)NC2CCN(Cc3ccccc3C)CC2)co1 170600210 PKPAHNQENYFWTG-UHFFFAOYSA-N 313.401 2.686 0 50 DFAA Cc1cccc2[nH]c(CCC(=O)NC[C@H]3CCC(C)(C)O3)nc12 187316548 FOSYIGABGMBAMJ-CYBMUJFWSA-N 315.417 2.878 0 50 DFAA CC[C@H](C(=O)OC(C)(C)C)N1CCC(c2nc(C)no2)CC1 191959391 DWDRPPDJKHRCIL-CYBMUJFWSA-N 309.410 2.678 0 50 DFAA CCOC(=O)CCCNC(=O)Nc1cc(C(F)(F)F)ccn1 192425292 HIXQJFHAEQYLOZ-UHFFFAOYSA-N 319.283 2.565 0 50 DFAA CCc1nc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)co1 680338765 IRGDDDFQQYSSIJ-UHFFFAOYSA-N 317.389 2.567 0 50 DFAA Cc1cccc(-n2cc(COC3CCC(CO)CC3)nn2)c1 656435389 RBSSMPUBKWRCHP-UHFFFAOYSA-N 301.390 2.643 0 50 DFAA O=C(c1ccc(OC(F)F)cn1)N1CC[C@H](c2ccccn2)C1 798718601 FFYGBJQMUNYQEY-NSHDSACASA-N 319.311 2.708 0 50 DFAA CO[C@@H]1CCN(c2cccc(-n3cc(C)cn3)n2)CC1(C)C 1615044555 KPBKBDMKZRGKGC-CQSZACIVSA-N 300.406 2.827 0 50 DFAA CCn1c(Cc2cccs2)nnc1N1CCO[C@H](C(C)C)C1 1615587708 QIGCKYZHASKOJE-AWEZNQCLSA-N 320.462 2.812 0 50 DFAA O=C1CCN(Cc2cnn(CC(F)F)c2)c2ccc(F)cc2N1 1616016239 UHZXINKUBGEWOJ-UHFFFAOYSA-N 324.306 2.636 0 50 DFAA COc1ncccc1CN1CC[C@H](c2sccc2C)[C@@H](O)C1 210190764 XEPNXBOXXWBGBL-GJZGRUSLSA-N 318.442 2.811 0 50 DFAA COc1ccccc1-c1nnc2n1-c1ccccc1C(=O)N(C)C2 1772819619 PZXCXFVSOXNONW-UHFFFAOYSA-N 320.352 2.529 0 50 DFAA CCCN(CC1CC1)C(=O)c1cn(Cc2ccccc2F)nn1 11932678 PVQQENFYXDGENP-UHFFFAOYSA-N 316.380 2.728 0 50 DFAA CC(C)CN1C(=O)CC[C@@H]1CCNCCOc1ccccc1 12456051 YKRQZVSVABRUGQ-MRXNPFEDSA-N 304.434 2.692 0 50 DFAA CC(=O)[C@H](O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 13829473 BPZSPAZBZFZZBN-RDJZCZTQSA-N 324.332 2.580 0 50 DFAA in-vitro CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 18045306 FARJHRNADYHAHA-UHFFFAOYSA-N 321.377 2.592 0 50 DFAA CCN1CCN(Cc2cc(Br)ccc2OC)CC1 19536485 RTHSPOHBXFXLTM-UHFFFAOYSA-N 313.239 2.595 0 50 DFAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cn(-c2ccccc2)nn1 1857671970 ALNZRFKLNWAPLU-LZWOXQAQSA-N 310.401 2.823 0 50 DFAA O=C(NC1CCOCC1)c1cccc(Oc2nccs2)c1 605621661 XMOOBXPLBGNVJN-UHFFFAOYSA-N 304.371 2.844 0 50 DFAA CC1=C(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCO1 225541432 VSLNIXLEBROZKU-GDBMZVCRSA-N 305.349 2.544 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 336981548 FOSCEMJZOQPJHR-HOCLYGCPSA-N 317.364 2.551 0 50 DFAA CC(C)c1nocc1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 902017287 PQYWFNWURCJILQ-OCCSQVGLSA-N 314.341 2.841 0 50 DFAA Cc1cc(C)c(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(C)c1 1704337100 UZBFKNIFJFLGMZ-WOJBJXKFSA-N 316.489 2.890 0 50 DFAA Cc1cc(C[C@@H]2CCC[C@@H]2NCc2scnc2C)n(C)n1 850397914 KCWQLEWAXNSXNQ-ZFWWWQNUSA-N 304.463 2.994 0 50 DFAA Cc1ccccc1[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](CCC(=O)O)O1 872727805 PXMHEGXRRBDCGN-LZWOXQAQSA-N 319.401 2.927 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](c2noc(-c3cccnc3)n2)C1 952848603 IOFMBLYHXXTUCK-GFCCVEGCSA-N 316.361 2.856 0 50 DFAA COC(=O)/C=C/CCNC(=O)C1(c2cccc(Cl)c2)CC1 1875312147 UNCQBHJVPMGFEF-FARCUNLSSA-N 307.777 2.607 0 50 DFAA Cc1ccc(CN2CC[C@H](N[C@@H](C)CCCN(C)C)C2)cc1 1875366895 VFPVWKGQLYTNIA-HKUYNNGSSA-N 303.494 2.889 0 50 DFAA C[C@@H]1Nc2ccccc2[C@H]1C(=O)Nc1c[nH]nc1Br 1875358218 NIQFIBAIEBUULO-CPCISQLKSA-N 321.178 2.709 0 50 DFAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@H](OCC)C3)c12 885335629 FKGLIWHJZXSUSO-AWEZNQCLSA-N 316.401 2.747 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 1067440 OUHFXIVFJAQGHS-GHMZBOCLSA-N 301.383 2.501 0 50 DFAA O=C(COc1cccc(Cl)c1)Nc1cccc2nonc12 1432101 XIABCDUIIMGESC-UHFFFAOYSA-N 303.705 2.894 0 50 DFAA CCCCn1ncc(C)c1NC(=O)[C@H]1CCC(=O)N(CCC)C1 55119893 KEJWTOWGKQXKOL-AWEZNQCLSA-N 320.437 2.579 0 50 DFAA OCc1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 225560745 YJXAAVKSPYOCQK-CRAIPNDOSA-N 319.351 2.765 0 50 DFAA COC(=O)C1=C(C(=O)OC)[C@]2(C)C(=O)C(C)(C)[C@]1(C)C(C)=C2C 100808317 PYRVMRIVAICSQC-QZTJIDSGSA-N 320.385 2.601 0 50 DFAA CNc1ncccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 55042235 LBJBGULQJLEWGL-KRWDZBQOSA-N 312.417 2.700 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)[nH]1 225539843 KWTKFNXZDJRHOH-CABCVRRESA-N 302.349 2.719 0 50 DFAA C[C@@H](C(=O)NCCSC(F)(F)F)n1cnc2ccccc21 53571259 YUMBMEOLEHLWPH-VIFPVBQESA-N 317.336 2.967 0 50 DFAA CCCc1[nH]nc2c1[C@@H](c1cc(OC)ccc1F)CC(=O)N2 67834170 ZWEIROBIMBPBLK-LLVKDONJSA-N 303.337 2.984 0 50 DFAA CC[C@@H](C)Oc1ccc(OCCCN2CCN(C)CC2)cc1 20639498 KMCNMYJQDNWRDQ-MRXNPFEDSA-N 306.450 2.880 0 50 DFAA CCc1nc(C)c(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)o1 67884674 XZAAUEIMBAFKRZ-UHFFFAOYSA-N 304.394 2.838 0 50 DFAA Cc1nc(CNC(=O)C2(c3cccc(Cl)c3)CC(C)C2)n[nH]1 1363855344 YBPLPSMOPZDOAR-UHFFFAOYSA-N 318.808 2.751 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(O)c2)N1 323331 KLUQZQYGFCCIQN-CVEARBPZSA-N 308.337 2.562 0 50 DFAA biogenic C[C@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 35585381 OMVRDZBBIJBYQG-JKSUJKDBSA-N 322.474 2.572 0 50 DFAA CCCN1CCC(CNC(=O)N(C)Cc2ccc(C)cn2)CC1 252500388 SULQEYQVZQRYNI-UHFFFAOYSA-N 318.465 2.653 0 50 DFAA CC1(C)CCC[C@](O)(CNC(=O)[C@@H]2CCCc3cccnc32)C1 252507536 WNZRSXYUFNHQGQ-DNVCBOLYSA-N 316.445 2.949 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72421549 PCTYAQRCQYJPKD-KRWDZBQOSA-N 318.461 2.556 0 50 DFAA C=CC(=O)N(Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C 328598776 OLDXSPYMYRQPNT-UHFFFAOYSA-N 316.449 2.946 0 50 DFAA O=C(Nc1cnc2ccccc2n1)c1cc2ccccc2c(=O)o1 253395253 HXADCHOGSOBIQP-UHFFFAOYSA-N 317.304 2.989 0 50 DFAA C[C@@H](O)c1cccc(N2CCC(CC3CC3)(C(=O)O)CC2)n1 71738408 ZIRQCPVDSOAJCB-GFCCVEGCSA-N 304.390 2.606 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)c2cccc(-n3cccn3)c2)C1 77406834 JRLPUOOYDRLYDF-HNNXBMFYSA-N 324.428 2.571 0 50 DFAA Fc1ccc(CN2CCN(Cc3ccncc3)CC2)cc1F 152629818 WTIYQDDLXAOYBV-UHFFFAOYSA-N 303.356 2.678 0 50 DFAA C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1nc(C(C)(C)C)n[nH]1 331756317 AQQWXJWHGBIHEQ-IUODEOHRSA-N 314.433 2.926 0 50 DFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1F 31979651 LEKWHFQBBVCBCA-YUMQZZPRSA-N 301.264 2.933 0 50 DFAA O=C(NC[C@H]1CCCS1)N1CCC[C@H](N2CCCC2)CC1 126457211 UAXIWXDUTLHZGA-LSDHHAIUSA-N 311.495 2.542 0 50 DFAA C[C@@]1(NC(=O)c2cc(N3CCNC3=O)ccc2F)CC=CCC1 332449001 SXFLHMAKUCFQBR-QGZVFWFLSA-N 317.364 2.584 0 50 DFAA CC(C)[C@H]1N(C(=O)Nc2cc(C3CC3)n(C)n2)CC12CCC2 333061981 DJENOBMOKZJRPG-OAHLLOKOSA-N 302.422 3.340 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)CC1CCOCC1 262364403 DSSOBHGBRGHTBR-UHFFFAOYSA-N 321.373 2.927 0 50 DFAA O=C(c1sccc1-n1ccnn1)N1C[C@H]2CCCC[C@H]2C1 333742316 LRQSPJGKSBAGFU-TXEJJXNPSA-N 302.403 2.591 0 50 DFAA C[C@@H](Cc1cccnc1)NC(=O)CCn1cnc2ccccc21 216337612 SBXPUMCPRSCJKW-AWEZNQCLSA-N 308.385 2.569 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 237948236 DDJUHOHVRMIEAP-AWEZNQCLSA-N 305.374 2.559 0 50 DFAA CC(C)Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O 172366649 LHQWSGCHSZSZSO-UHFFFAOYSA-N 300.358 2.728 0 50 DFAA CNC(=O)c1ccc(CN(C)Cc2cccc(N(C)C)c2)cc1 172717397 VIICTIKWBVUJBE-UHFFFAOYSA-N 311.429 2.744 0 50 DFAA CC(C)(C)C(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 220301905 KHUFHTXTLXGZFC-ZBCRRDGASA-N 303.402 2.596 0 50 DFAA Cc1cc([C@@H]2CCCN(C(=O)c3ccc(F)cc3O)C2)[nH]n1 283415799 FOYMIRLZLIJREP-LLVKDONJSA-N 303.337 2.583 0 50 DFAA CCCc1cc(C(=O)N[C@H](C)c2c(C)nn(CC)c2C)no1 82116153 IGOGGFWSIGOHON-SNVBAGLBSA-N 304.394 2.951 0 50 DFAA COC[C@H]1CN(c2ncnc3cccc(C)c23)CC(C)(C)O1 285098870 QMONTFXTSZEMCW-CYBMUJFWSA-N 301.390 2.568 0 50 DFAA CCCN(CCOC)C(=O)c1c[nH]nc1-c1ccccc1F 97766275 QXOSDJGIZOOHOO-UHFFFAOYSA-N 305.353 2.714 0 50 DFAA CCc1csc(CCNC(=O)CC2CCN(C(C)C)CC2)n1 95366010 GCPSDTPAFRASGU-UHFFFAOYSA-N 323.506 2.875 0 50 DFAA Cc1nc(Cl)ccc1NC(=O)N(C)CCCc1cnn(C)c1 95516609 NHPILPDTZYGKRO-UHFFFAOYSA-N 321.812 2.873 0 50 DFAA O=C(NCCc1noc(C2CCC2)n1)[C@@H]1CC12CCCCC2 426555520 MBPHOMDFGWFNMU-ZDUSSCGKSA-N 303.406 2.966 0 50 DFAA COc1cccc2c1OC[C@H](Cc1cc(C)nc(N(C)C)n1)C2 95497377 BVAGZOUIXIKHRV-ZDUSSCGKSA-N 313.401 2.653 0 50 DFAA CCc1nn(C)c(NC(=O)N(C)Cc2c(C)noc2C)c1CC 95512303 WOJWBGQJGMKAMX-UHFFFAOYSA-N 319.409 2.814 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NCC(C)(C)OCCO)oc12 292176147 WKKVCPQHNQLJIJ-UHFFFAOYSA-N 319.401 2.875 0 50 DFAA Cc1ncsc1CN(CCn1cncn1)Cc1ccccc1 244787715 QCFGRJPVEYDDJG-UHFFFAOYSA-N 313.430 2.745 0 50 DFAA Cc1cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)ccc1F 252518159 AEMYFWIRXHQICY-VBQJREDUSA-N 314.360 2.771 0 50 DFAA CC(C)Oc1ccc([C@H](C)NC(=O)N2CCC(O)CC2)cc1 298632475 CNVARMNUPPXEAQ-ZDUSSCGKSA-N 306.406 2.701 0 50 DFAA COc1ccccc1N1CCC(N[C@H](C)c2nccn2C)CC1 182691671 OXGWQDISHFWHPI-CQSZACIVSA-N 314.433 2.748 0 50 DFAA CCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)O)CC2)cc1 299741446 DWWQCBOJFDFKEZ-CYBMUJFWSA-N 305.374 2.802 0 50 DFAA Cc1ccc(CC2(NC(=O)C3(Cn4ccnc4)CC3)CC2)cc1 534578266 UWZSOEDIQORGDM-UHFFFAOYSA-N 309.413 2.863 0 50 DFAA CCCCN1CCn2nc(CNC3Cc4ccccc4C3)cc2C1 299775576 DXVSALZIFZFSCQ-UHFFFAOYSA-N 324.472 2.756 0 50 DFAA NC1(c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)CC1 299781960 MAVXQQJENVACED-ZNMIVQPWSA-N 310.401 2.710 0 50 DFAA Cc1nnc(CCNC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)s1 584896026 CIVPJVHVDVAQKC-MLGOLLRUSA-N 322.478 2.999 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 584890917 KFOGGFGXHXXSSZ-CYBMUJFWSA-N 311.809 2.863 0 50 DFAA C[C@@H](CN1CCCCC1)C(=O)Nc1cccc(-n2cccn2)c1 952861569 IEJWWHJPRFCXEO-HNNXBMFYSA-N 312.417 2.933 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 408388798 XFNOVYFRFQTWNF-HOCLYGCPSA-N 305.422 2.629 0 50 DFAA Cc1cc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)c(C)o1 275376008 OITONFMGSAWCDS-CYBMUJFWSA-N 319.361 2.617 0 50 DFAA OC[C@@H](CNc1cnccn1)Cc1ccccc1Br 277171370 MQYKPVZRORGUPN-LLVKDONJSA-N 322.206 2.502 0 50 DFAA Cc1ccc(OCc2nnnn2CC2CCOCC2)c(Cl)c1 277523581 ODZDEOLCAYFFNX-UHFFFAOYSA-N 322.796 2.641 0 50 DFAA CSc1cc(C(=O)OCCc2c(C)nn(C)c2C)ccn1 170593108 GQADNAFVWFFMRM-UHFFFAOYSA-N 305.403 2.553 0 50 DFAA CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CCCC[C@@H]3O)cc12 187390694 YGWUMALULIAPSH-RYUDHWBXSA-N 321.446 2.792 0 50 DFAA COc1ccnc(CN2CCO[C@@H](c3ccsc3)C2)c1OC 190690137 MYNMMAFTLAGRRJ-OAHLLOKOSA-N 320.414 2.734 0 50 DFAA CCN1[C@H](c2ccc(Br)cc2)CCS1(=O)=O 1615587697 JNKYMXDXLKUKKE-NSHDSACASA-N 304.209 2.546 0 50 DFAA CCCn1ncc(C)c1NC(=O)Cn1ccc(=O)c2ccccc21 1529098601 JNMHRLIKUQHRTC-UHFFFAOYSA-N 324.384 2.555 0 50 DFAA CC(C)(CN1CCCC1)c1nccn1Cc1cccn2nccc12 1772818421 DODSAUWYPBGPCQ-UHFFFAOYSA-N 323.444 2.953 0 50 DFAA 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0 50 DFAA C[C@H]1CNCC[C@@H]1Cn1cc(-c2nc3ccccc3s2)nn1 2325800563 TXYYKNGMTBXAOQ-NWDGAFQWSA-N 313.430 2.800 0 50 DFAA C[C@H](NC(=O)c1cncc2c(Cl)cccc12)[C@@H]1CCN(C)C1 2325802316 ZBJYOWICIFCBSF-NWDGAFQWSA-N 317.820 2.958 0 50 DFAA CN(C)C(=O)Cc1ccccc1NCc1ccnc2[nH]ccc12 2325854786 UUDZBFIDKCNXTJ-UHFFFAOYSA-N 308.385 2.806 0 50 DFAA COC[C@H](C)OC(=O)N1Cc2ccc(OC)cc2OC(C)(C)C1 1475404837 YIMOUZYETKLCDZ-LBPRGKRZSA-N 323.389 2.840 0 50 DFAA CN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 128571 MRLAXPMWGXNZPU-UHFFFAOYSA-N 309.413 2.620 0 50 DFAA Cc1cccc(-c2noc([C@H](C)NC(=O)c3ccncc3)n2)c1 4998333 GHNYMYOFXJGDKM-LBPRGKRZSA-N 308.341 2.931 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 221815009 POTDFGDXZQIIHR-HZSPNIEDSA-N 322.478 2.973 0 50 DFAA COCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 8723062 HDSLSWYEMRPGTJ-UHFFFAOYSA-N 301.342 2.973 0 50 DFAA OCc1ccc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1 225650709 GZQNHUWBBUUTJF-ZWKOTPCHSA-N 301.361 2.626 0 50 DFAA CC(C)N1CCCC[C@@H]1CN1CCC(OC[C@@H]2CCCO2)CC1 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CCCOC[C@H]1CCN(c2nc(C(C)C)nc3c2cnn3C)C1 72144718 SRKIOWXSSHABTG-ZDUSSCGKSA-N 317.437 2.740 0 50 DFAA Cc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)nc(C)n1 329650535 CHWWLWAQYRKPGI-UHFFFAOYSA-N 310.401 2.583 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2ncc(C(C)C)s2)cnn1C 328624688 JZHOKAGBBQSKQR-XJKSGUPXSA-N 320.462 2.928 0 50 DFAA Cc1c(C(=O)NCCc2csc(N)n2)oc2c(F)cccc12 77303928 YZKWMPYSERZZAH-UHFFFAOYSA-N 319.361 2.892 0 50 DFAA CN(C(=O)c1ccncc1)[C@H]1CCCN(CCc2ccccc2)C1 14967017 CBBAQHWMRCMQFL-IBGZPJMESA-N 323.440 2.861 0 50 DFAA COc1ccc(C2(C(=O)NCCc3cn[nH]c3)CCCC2)cc1 215535703 OBIIMNOPVBFYNB-UHFFFAOYSA-N 313.401 2.589 0 50 DFAA O=C(NC[C@@H]1C[C@H](F)CN1)C1(c2ccccc2)CCCCC1 215140879 XSUFOTMECNOIMF-HOTGVXAUSA-N 304.409 2.705 0 50 DFAA CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2cc3n(n2)CCCNC3)C1 72151882 MWVXGICRLZBTAL-SJLPKXTDSA-N 302.466 2.777 0 50 DFAA Cn1ccnc1-c1ccccc1C(=O)N1CC(c2ccncc2)C1 72124072 PTATVIGXHMMUOI-UHFFFAOYSA-N 318.380 2.722 0 50 DFAA Cc1ccc(NC(=O)C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c(C)n1 156219068 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COc1cccc(-c2n[nH]cc2-c2nc(CSC)no2)c1 95358973 JCIMRFJEDLABPW-UHFFFAOYSA-N 302.359 2.998 0 50 DFAA CC[C@@H]1CN(c2ncnc3c2Cc2ccccc2OC3)CCO1 97594733 AAGSSOPWWMYQEG-CQSZACIVSA-N 311.385 2.575 0 50 DFAA CCn1ccnc1C(=O)N[C@H](COC)c1cccc(Cl)c1 293132388 WABHWOUTMLZKRQ-CYBMUJFWSA-N 307.781 2.674 0 50 DFAA COCCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1 95359997 ZJFHDRBJOPSMTD-UHFFFAOYSA-N 312.373 2.652 0 50 DFAA CCCc1ccc(CN2CCC[C@](CCOC)(C(=O)O)C2)o1 92038719 VTTIZIKJJGJNEB-QGZVFWFLSA-N 309.406 2.935 0 50 DFAA Cc1nnc(-c2coc3ccc(Br)cc3c2=O)o1 95627620 YZSQZTMMFXDMLR-UHFFFAOYSA-N 307.103 2.914 0 50 DFAA Cc1ccc(F)cc1CNC(=O)[C@H]1COc2ccccc2O1 334162752 QVFNQMGPFRYJSY-MRXNPFEDSA-N 301.317 2.590 0 50 DFAA CC(C)c1nnsc1CNC(=O)CC[C@@H]1CCCCN1C 95384433 WJSVCOWPDAAISY-LBPRGKRZSA-N 310.467 2.542 0 50 DFAA O=C(O)c1ccc(Cl)c(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 242581734 ODNSOLBMBSRWPW-GYBADROVSA-N 319.744 2.574 0 50 DFAA C[C@H]1CN(Cc2ccc(CO)o2)C[C@@H](c2ccc(F)cc2)O1 245753597 OGNICSNFKJUZLV-SJCJKPOMSA-N 305.349 2.873 0 50 DFAA O[C@@]1(CN[C@H](c2ccncc2)c2ccc(F)cc2)CCSC1 183696879 FJBRFCCLEZDMGX-DLBZAZTESA-N 318.417 2.768 0 50 DFAA C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 257345821 JVEWXTLFKFWQPU-HELQFGGMSA-N 306.446 2.930 0 50 DFAA Cc1nc2c(cc1C(=O)N(C)[C@@H](C)C1(C)CC1)c(C)nn2C 267672916 AEQFQQCRPXDQDZ-LBPRGKRZSA-N 300.406 2.846 0 50 DFAA Cc1cccc2nc(CCNC3CSCCSC3)[nH]c12 584890729 NNLFLIBBMLOFQP-UHFFFAOYSA-N 307.488 2.852 0 50 DFAA CCCN1CC[C@H](Cn2cnc3cc(Cl)ccc3c2=O)C1 584884138 UJBKXQMXFUSZHT-LBPRGKRZSA-N 305.809 2.782 0 50 DFAA CC(C)(C)OC(=O)N[C@@]1(C(=O)O)Cc2ccc(Cl)cc2C1 95642884 ZIVWELCPNMCVLQ-HNNXBMFYSA-N 311.765 2.787 0 50 DFAA in-vitro c1ccc([C@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)cc1 185206174 GBECIEYXJKXESW-KRWDZBQOSA-N 322.416 2.607 0 50 DFAA C[C@](O)(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccsc1 305675617 ZQJOPCNWXDHMAI-FZKCQIBNSA-N 307.459 2.893 0 50 DFAA C[C@H](C(=O)Nc1cc(N2CCNC2=O)ccc1F)C(C)(C)C 408520320 UDFZCUXJPRIYCH-SNVBAGLBSA-N 307.369 2.976 0 50 DFAA Cc1ccc(NS(=O)(=O)c2csc(C(=O)O)c2)c(C)c1 16623082 JQDPWGQSSNRXJX-UHFFFAOYSA-N 311.384 2.864 0 50 DFAA O=S(=O)(c1ccc2ncsc2c1)N1CCCC2(CC2)C1 274679063 MBYNBQYFHSAPMU-UHFFFAOYSA-N 308.428 2.861 0 50 DFAA Cn1ncc2c(O)nc(N3CCCC[C@H]3CC3CCC3)nc21 585099522 PWMIMUUQIXAJJX-LBPRGKRZSA-N 301.394 2.618 0 50 DFAA CCOc1ccccc1CN(Cc1c(C)cnn1C)C[C@@H](C)O 585084319 JBLNETATJFCAAY-OAHLLOKOSA-N 317.433 2.510 0 50 DFAA Cc1ccnc(OC2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)c1 276822055 NLFYMTDWXZJANO-GOEBONIOSA-N 318.417 2.575 0 50 DFAA Cc1ccc(/C=C/C(=O)N(C[C@@H]2CCCO2)c2ccnnc2)o1 585126368 XMOFCBZTEPRTAA-MOEXGYKKSA-N 313.357 2.603 0 50 DFAA CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc3cc(F)ccc3o2)C1 189142734 JDQWPYKQNRXQKQ-CMPLNLGQSA-N 318.308 2.625 0 50 DFAA C[C@H](O)CS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 193168843 YRAPIVIKTIGWGH-LURJTMIESA-N 302.701 2.513 0 50 DFAA CO[C@@H](C)C(=O)N1C[C@@H](C)Oc2ccc(Br)cc21 195278402 XJLNKBGJPAOTPX-BDAKNGLRSA-N 314.179 2.598 0 50 DFAA CCc1cnc(CNC(=O)N[C@H]2CCCOc3ccccc32)o1 1615058723 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Cc1csc(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)O)cc2)n1 225458150 DBGCMYBFQXMAAM-NEPJUHHUSA-N 302.355 2.778 0 50 DFAA CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 126792667 BXTVXOVRFLMESK-UXLLHSPISA-N 316.445 2.771 0 50 DFAA C[C@H]1CCC(C)(C)N1C(=O)c1ccnc(NC(=O)C2CC2)c1 333066485 AIHREDUOTCJNCD-NSHDSACASA-N 301.390 2.833 0 50 DFAA O=C(O)c1cc2cc(NC(=O)[C@H]3CCCOC3)ccc2s1 238208849 UXQBBTIVJYMFAB-VIFPVBQESA-N 305.355 2.965 0 50 DFAA Cc1nc2cc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)ccc2o1 247959926 OCIKOZQEUOKDGF-FCIDVOKBSA-N 312.325 2.598 0 50 DFAA C=CC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 1262555783 IOFCCABSNSJBLX-UHFFFAOYSA-N 304.390 2.556 0 50 DFAA Cn1cc([C@@H](NC(=O)c2cccc3c2OCC3)C(C)(C)C)cn1 934129358 VMDKOTYYANSOBK-MRXNPFEDSA-N 313.401 2.872 0 50 DFAA C[C@@]1(C(=O)NCCc2ccccc2O)CCOc2ccccc21 934938844 LMFXDYZBOSEKRS-LJQANCHMSA-N 311.381 2.791 0 50 DFAA CC1(C)COCC[C@@H]1NCc1ccnc(OC2CCOCC2)c1 1875285207 GSDMNRCUBGMVKP-INIZCTEOSA-N 320.433 2.544 0 50 DFAA N=c1[nH]cncc1-c1ccc(OCCCN2CCCCC2)cc1 1875309934 VOPURJNDDIDPJF-UHFFFAOYSA-N 312.417 2.811 0 50 DFAA c1ccc(-c2ncnc(NC3CCN(C4CCC4)CC3)n2)cc1 884523857 IDDLHONTGCEZFE-UHFFFAOYSA-N 309.417 2.967 0 50 DFAA CCc1cc2c(N(C)C[C@H](O)c3cccnc3)ncnc2s1 895938366 BYWUYKMPYGZERQ-AWEZNQCLSA-N 314.414 2.819 0 50 DFAA O=C(NCc1cn(C[C@@H]2CCCC2(F)F)nn1)c1ccccc1 899722560 XUHKWWCGKRECEM-ZDUSSCGKSA-N 320.343 2.644 0 50 DFAA CCC[C@H](CN1C(=O)N[C@@H]2CCC3(CC3)C[C@@H]2C1=O)OCC 2325776125 PIFVWGNIYBZFAO-HZSPNIEDSA-N 308.422 2.692 0 50 DFAA C[C@@H]1CN(c2ccnc3c2cnn3C)CC[C@]12CCCN(C)C2 2325806061 QAUUZUYHYOYRRQ-KDOFPFPSSA-N 313.449 2.527 0 50 DFAA COc1cc(NC(=O)c2c(C)noc2C)cc(OC)c1OC 3347034 SGESUJKOEGSOOK-UHFFFAOYSA-N 306.318 2.570 0 50 DFAA Cc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O 4028795 UPLNCYRSCVJILM-UHFFFAOYSA-N 316.309 2.702 0 50 DFAA biogenic,in-vivo Cc1c(NS(C)(=O)=O)cccc1C(=O)NC1CCCCCC1 10314192 OTHQYTZSDZWKAA-UHFFFAOYSA-N 324.446 2.819 0 50 DFAA CCc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](N(C)C)CC2)cc1 225442449 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2.852 0 50 DFAA O=C1CC2(CCCC2)C(=O)N1CCN1CCCc2ccccc21 348757756 XQYHCDOORVUYBH-UHFFFAOYSA-N 312.413 2.759 0 50 DFAA COCc1cc(C(=O)Nc2cnc3n2CCCC3)ccc1OC 67785299 GOILQAXFXZBMRF-UHFFFAOYSA-N 315.373 2.627 0 50 DFAA CCN(CC)CCn1ccnc1-c1cc(OC)c2c(c1)OCO2 67847289 VNIRLVCQLKPUMJ-UHFFFAOYSA-N 317.389 2.629 0 50 DFAA Cn1ccc2c(C(=O)N3CCN(c4ccccn4)CC3)cccc21 36360489 SDVUXSXTMZQITO-UHFFFAOYSA-N 320.396 2.536 0 50 DFAA Nc1nc2c(s1)[C@@H](c1ccc(F)cc1Cl)CC(=O)NC2 65406305 SBHNPTHOQXHZCC-MRVPVSSYSA-N 311.769 2.670 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2)C1 860100 SINQRTJMWREXJR-GDBMZVCRSA-N 303.402 2.982 0 50 DFAA Cc1nnc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)s1 252539456 OAICLWPTRPIERL-QWHCGFSZSA-N 310.373 2.982 0 50 DFAA CNC(=O)c1cccc(CN2c3ccccc3CC[C@H]2CCO)c1 425484236 ICYNVOBYHFBTBO-SFHVURJKSA-N 324.424 2.750 0 50 DFAA Cc1cc(-n2cncn2)ccc1C(=O)NCC1(C2CC2)CCC1 120606942 IRPFAGPIAHWLSJ-UHFFFAOYSA-N 310.401 2.886 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H]1C[C@H]1C1CC1 328616198 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CN(CCCc1nccn1C)C(=O)CSc1ccccc1 223015366 UATCNNUXHXGFKJ-UHFFFAOYSA-N 303.431 2.603 0 50 DFAA CCCC(=O)N1CCC(C(=O)Nc2ccc(OC)cc2)CC1 40456018 SZLPLWUDJDIWKC-UHFFFAOYSA-N 304.390 2.672 0 50 DFAA C[C@H]1C[C@H](NC(=O)c2cc(O)c3ccccc3n2)C[C@@H](C)O1 241231123 KSFJYUCCHCAKGI-ZSBIGDGJSA-N 300.358 2.626 0 50 DFAA Cc1ccn2cc(Cn3cnc4c(F)cccc4c3=O)nc2c1 43139842 BPAFIPIDHGWAKF-UHFFFAOYSA-N 308.316 2.540 0 50 DFAA COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@H](C)C3)cc1 49551252 MIHTUPNEVYCTKG-NSHDSACASA-N 312.369 2.761 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N2CCCC2)C1 175528642 RREFYEUVUCDCDZ-ZBFHGGJFSA-N 320.408 2.680 0 50 DFAA c1cc([C@@H]2CCCO2)sc1CN1CCC2(CC1)CNCCO2 426479158 WWHFMFBLAFKHEL-HNNXBMFYSA-N 322.474 2.554 0 50 DFAA COC(=O)c1cc(C)nc2c1c(=O)[nH]c(=S)n2C1CCCC1 20603301 YWQMHSQDASGSOF-UHFFFAOYSA-N 319.386 2.664 0 50 DFAA Cc1ccc2c(C)c(C(=O)NC3(C(N)=O)CCCC3)oc2c1 91779720 WRKLUHVQAZVDSO-UHFFFAOYSA-N 300.358 2.578 0 50 DFAA CC(C)c1noc(-c2ccnc(N3CCO[C@@H](CCF)C3)c2)n1 624651470 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Cc1nc(C)c(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)o1 268992018 UZKRUKFXTFYNCJ-UHFFFAOYSA-N 317.370 2.563 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)c1 271677699 MESWZBYYAKMIQX-HUUCEWRRSA-N 311.447 2.785 0 50 DFAA CCOc1ccc([C@H](NC(=O)[C@H]2CCNC2)c2ccccc2)cc1 170048760 PELGACCTPYKVED-PKOBYXMFSA-N 324.424 2.900 0 50 DFAA Cc1cc(F)c(Br)cc1NC(=O)[C@@H]1CCOC1 190260976 PLOBQXUJEXBJCW-MRVPVSSYSA-N 302.143 2.872 0 50 DFAA CCCOc1ccc(CNC(=O)N2CCC(CO)CC2)c(C)c1 191741181 WZFNVJNJCDMIMF-UHFFFAOYSA-N 320.433 2.698 0 50 DFAA Clc1ccsc1CN[C@H]1CCCN(c2ncccn2)C1 193010873 LHKFCXJISIOEQN-NSHDSACASA-N 308.838 2.950 0 50 DFAA Clc1nc(N2CCC[C@@H]2c2nccs2)c2nc[nH]c2n1 710552548 JFMDORRRGJYNFK-SSDOTTSWSA-N 306.782 2.804 0 50 DFAA C[C@@H]1CN(c2ccccc2CN[C@@H]2CCC[C@H]2CO)C[C@@H](C)O1 110677577 WEKKKTHQGYHMKR-XYVMCAHJSA-N 318.461 2.551 0 50 DFAA Cc1cc(C)cc(N2CCC(N3C[C@H]4C[C@H](O)C[C@H]4C3)CC2)c1 1800414936 YVEVKZFHYULFQT-YRWFTTLQSA-N 314.473 2.975 0 50 DFAA CSc1ccc(CN2CCC(=O)N(CC3CC3)CC2)cc1 12191219 YAWNPPQVKJWKJC-UHFFFAOYSA-N 304.459 2.853 0 50 DFAA CCN1CCC[C@H](CN(C)Cc2cc(-c3cccnc3)no2)C1 19836398 ILZIDLWYZUHSIK-OAHLLOKOSA-N 314.433 2.900 0 50 DFAA Cc1nc(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)cn1C 1857694176 DCKCDBDPVQZEIE-UHFFFAOYSA-N 321.428 2.719 0 50 DFAA CCc1csc(CNC(=O)c2ccc3sc(=N)[nH]c3c2)n1 1857712388 XWUDJRUVHJWOEF-UHFFFAOYSA-N 318.427 2.658 0 50 DFAA CCCCCc1nc([C@H]2CC[C@@H](O)[C@H](N)C2)n(C(C)(C)C)n1 1857739755 QTLMCNPVDBPMFT-BFHYXJOUSA-N 308.470 2.722 0 50 DFAA COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@@H](C1)C(C)(C)C2=O 468172 PHQYPEMOAWCWFR-VOJFVSQTSA-N 315.369 2.807 0 50 DFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)OC2=O 468001 YQRQKJAIAVDBCC-CABCVRRESA-N 308.765 2.795 0 50 DFAA C[C@@H]1CCCN(c2nccc(N3Cc4ccccc4C3)n2)[C@@H]1CN 630510615 XDYQLBGJCVKJQB-RHSMWYFYSA-N 323.444 2.560 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1Nc1ccccc1)S(C)(=O)=O 128557730 CIQDFMGDEFXQPO-LBPRGKRZSA-N 318.398 2.802 0 50 DFAA O=C(O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 238178009 XCWSOAHVHMIKCY-UWVGGRQHSA-N 302.157 2.688 0 50 DFAA C[C@H](NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1)C1CCCC1 658187936 VDNYAPJQWAUWNT-OWQGQXMQSA-N 301.434 2.769 0 50 DFAA Cc1cc(CNc2cncc(-n3cncn3)n2)ccc1Cl 680378271 LNCSFPSFWKWGNQ-UHFFFAOYSA-N 300.753 2.631 0 50 DFAA COc1ccc2nc(CN3CCC(c4ccccn4)CC3)[nH]c2n1 680634402 LZYKJTZERRMNGU-UHFFFAOYSA-N 323.400 2.741 0 50 DFAA CC[C@@]1(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)CCOC1 682981686 MJPYEOPRMVKKDL-QGZVFWFLSA-N 317.364 2.619 0 50 DFAA Cc1cc(C)cc([C@H](NC[C@H](O)Cc2ccccc2)C(=O)O)c1 905391353 OGOFIENTKQSUOT-MSOLQXFVSA-N 313.397 2.622 0 50 DFAA CCOc1c(F)cccc1C(=O)N[C@H](c1ncccn1)C1CC1 906234247 QOOIGQUFDFAXJP-AWEZNQCLSA-N 315.348 2.896 0 50 DFAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CC([C@H]2CCOC2)C1 935745578 FETIJLDODSOQIB-VIFPVBQESA-N 321.327 2.609 0 50 DFAA O=C([C@@H]1C[C@H]1C(F)(F)F)N1CCC[C@](O)(c2ccccc2)C1 862796182 MSOIGWGJFXOOCZ-UMVBOHGHSA-N 313.319 2.695 0 50 DFAA COc1cc(COc2ccc(C(=O)N3CCCC3)cc2)sn1 864090948 GTISWJPVAKXVCI-UHFFFAOYSA-N 318.398 2.967 0 50 DFAA N=c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc[nH]1 1875290625 UAQFSRKCTSJVPD-UHFFFAOYSA-N 311.341 2.788 0 50 DFAA COc1ccc2[nH]c(C)c(C(=O)NC[C@H](C3CC3)N(C)C)c2c1 1875264536 WHAAUBFPHQAXNJ-MRXNPFEDSA-N 315.417 2.555 0 50 DFAA COC(=O)c1ccc2nc[nH]c(=NCC(F)(F)CC3CC3)c2c1 1875308179 SWRREWYJBFUTHG-UHFFFAOYSA-N 321.327 2.686 0 50 DFAA FC(F)(F)c1nc(CNC[C@@H]2CCc3nccn3C2)cs1 893770870 YQUONNOYJJNXFQ-VIFPVBQESA-N 316.352 2.711 0 50 DFAA Cc1cccc2nc(CCNC(=O)N[C@@H]3CC=CC[C@H]3C)cn12 895534378 XKYSYMPJSRSIBJ-CZUORRHYSA-N 312.417 2.839 0 50 DFAA O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)C1(C(F)F)CC1 1775990829 FSJZMVJBYXKPQW-ZDUSSCGKSA-N 315.385 2.725 0 50 DFAA CCN(C(=O)c1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 186320113 LRBSGWBGSFMNTK-GOSISDBHSA-N 309.413 2.818 0 50 DFAA CC(C)Cc1n[nH]c(SCc2nc3ccccc3c(=O)[nH]2)n1 8566809 GOLAPBCDOIVLSE-UHFFFAOYSA-N 315.402 2.532 0 50 DFAA COc1ccc(OCCCN2CCCN3CCC[C@H]3C2)cc1 248128352 HYTNGGPFBSODQW-INIZCTEOSA-N 304.434 2.634 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccccc2)no1 1061948 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Cc1nc(CSc2nnc(CN)n2CC(C)C)c(C)s1 426598806 CUIIPFAXAQPMFD-UHFFFAOYSA-N 311.480 2.758 0 50 DFAA O=C(NCCSc1ccc(Cl)cc1)[C@H]1CC12CCNCC2 96163047 JJNYQQULYYBIQP-CQSZACIVSA-N 324.877 2.938 0 50 DFAA Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccn2ccnc2c1 178776779 YWAOUFSQEBMXDN-NSHDSACASA-N 312.373 2.749 0 50 DFAA COCc1ccc(C(=O)NCc2csc(CSC)n2)o1 96161880 WOAYCPROPRFWQR-UHFFFAOYSA-N 312.416 2.676 0 50 DFAA N[C@H]1C[C@@H](c2cc(NCCN3CCCc4ccccc43)ncn2)C1 244884350 YKVKLQOLGOBRDL-IYBDPMFKSA-N 323.444 2.546 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 299744939 VQGOLUMXPICGHF-CYBMUJFWSA-N 310.353 2.977 0 50 DFAA CC(C)CN1CCN(Cc2cccc(O)c2Cl)[C@@H](C)C1=O 352974849 FFGJFEMXJDNQCC-LBPRGKRZSA-N 310.825 2.734 0 50 DFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCO1 822534988 KLPUWTWBXXJXMR-NSHDSACASA-N 310.781 2.597 0 50 DFAA CCn1nc(C)c([C@H](C)NC(=O)COCc2ccccc2)c1C 823593420 PAAVKFCQXWVMBW-ZDUSSCGKSA-N 315.417 2.914 0 50 DFAA CCOc1cc(C)c(CN2C[C@H](O)[C@@H](OC)C2)cc1C(C)C 670458660 HOBVJJBLQPZKNQ-WMZOPIPTSA-N 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DFAA CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CC(O)C1 353487603 MSZSRIBXUNFKDA-GPANFISMSA-N 324.424 2.611 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)NC[C@H]2CC(=O)Nc3ccccc32)C1 252581951 UQZJOAUBPHSWSZ-HZSPNIEDSA-N 315.417 2.800 0 50 DFAA Cc1cccc(CC2CN(C(=O)NCCc3cc(C)no3)C2)c1 585083190 BYNYHHXGTIKMBR-UHFFFAOYSA-N 313.401 2.718 0 50 DFAA CCN(C(=O)c1cccc(C(=O)O)n1)[C@@H](C)Cc1ccsc1 263076120 UNCYWVOOYILRHJ-NSHDSACASA-N 318.398 2.935 0 50 DFAA Cc1nc(C(=O)N(C)[C@H]2CCc3ccccc3C2)ccc1C(=O)O 263309718 GCXAIMNMITXXOK-HNNXBMFYSA-N 324.380 2.718 0 50 DFAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1c(F)cccc1Cl 263479802 GBVPRKBTKAIBDH-UWVGGRQHSA-N 313.756 2.733 0 50 DFAA CC(C)OC(=O)C[C@H](NCc1cn2cccc(F)c2n1)C(C)C 594622922 JTAOZRDGGFVXNE-HNNXBMFYSA-N 321.396 2.929 0 50 DFAA CC[C@H](C)C[C@H](NCc1ccc(N(C)C(C)C)nc1)C(=O)O 901683520 RPOVLPNHBNCJCH-ZFWWWQNUSA-N 307.438 2.905 0 50 DFAA O=C(Nc1cccnn1)N1CC2(CCOCC2)[C@H]1c1ccccc1 930348401 ZTPAFWRNOKGLSQ-MRXNPFEDSA-N 324.384 2.862 0 50 DFAA 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CCSCCNc1nc(-c2cccnc2)nc2c1cnn2C 72132005 GURAPSOIIONXKV-UHFFFAOYSA-N 314.418 2.590 0 50 DFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCC(C(=O)O)CC3)cc12 237662500 RDCLHVLFZJYNGP-UHFFFAOYSA-N 304.321 2.552 0 50 DFAA CNC[C@H]1CCCN(C(=O)CCOc2ccc(C)cc2C)C1 158996275 HUZYFKFXCZNYOE-MRXNPFEDSA-N 304.434 2.530 0 50 DFAA O=C1CCC[C@@H](CC(=O)N2CCCc3cc(Cl)ccc32)N1 288805343 GETDFXMGJFIKTC-ZDUSSCGKSA-N 306.793 2.678 0 50 DFAA CC(C)(C(=O)N[C@H]1CCC(=O)NC1(C)C)c1ccccc1Cl 338521151 XMFXDWUGZKLDAA-ZDUSSCGKSA-N 322.836 2.791 0 50 DFAA O=C(CCn1cncn1)N1CCCC[C@@H]1CCc1cccs1 82121824 NVAUFDSZPDOEIG-CQSZACIVSA-N 318.446 2.744 0 50 DFAA Cc1occc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 220277524 VUJVTNPCCSEOMM-MHORFTMASA-N 311.381 2.964 0 50 DFAA CS(=O)(=O)c1cc(Br)cc(Br)c1 97756686 GPQCGXKXBLIDAB-UHFFFAOYSA-N 313.998 2.615 0 50 DFAA CCCc1cc(C(=O)N2CCn3cccc3[C@@H]2CC)n(C)n1 82161771 JQIFDKVKHWAFQA-AWEZNQCLSA-N 300.406 2.781 0 50 DFAA C/C(=C\C(=O)N1CC[C@H](CN)C1)c1cccc(C(F)(F)F)c1 178563473 VHDSHJDKFXCTTE-YTRUQHMWSA-N 312.335 2.916 0 50 DFAA CC[C@@H](NC(=O)c1nn(C)cc1C(=O)O)c1ccc(C)cc1C 20616237 BAMGXVAWADOBMA-CQSZACIVSA-N 315.373 2.616 0 50 DFAA CN(C)CC(C)(C)CNC(=O)c1c[nH]nc1C1CCCCC1 97088112 FXKCOPBUYWVPEU-UHFFFAOYSA-N 306.454 2.775 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 178985196 BNCJIQXGOGZQOU-NSHDSACASA-N 303.793 2.570 0 50 DFAA OCCn1nc(C2CCCC2)nc1CN1CCCCCCC1 96164140 VTHJXMVYOYZWOW-UHFFFAOYSA-N 306.454 2.694 0 50 DFAA CSCCc1nc(CCCC(=O)O)n(-c2ccccc2F)n1 96148219 XFANPGLBTAYUOG-UHFFFAOYSA-N 323.393 2.719 0 50 DFAA CC(C)(NCc1nccc(N)n1)c1ccccc1Br 181519645 ASKVYDJVVMHKMQ-UHFFFAOYSA-N 321.222 2.846 0 50 DFAA Cc1ccccc1C(=O)N1CCCN(CC(F)(F)F)CC1 298497668 YBCZCLMOYKLKKF-UHFFFAOYSA-N 300.324 2.705 0 50 DFAA Cn1cc(CN(C(=O)NCCSC(C)(C)C)C2CC2)cn1 534672967 YQDDJEWLTVDMFS-UHFFFAOYSA-N 310.467 2.626 0 50 DFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)COCC(F)(F)F)cc1 281003441 KVHZXRGXKRMWPW-QWHCGFSZSA-N 317.307 2.636 0 50 DFAA Cn1ccc(-c2noc([C@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)n1 634667728 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Cc1ccc2cc(Cl)cc(C(=O)N3CCNC[C@H]3C)c2n1 647711647 VOAJEBNSEPHSOE-LLVKDONJSA-N 303.793 2.631 0 50 DFAA C/C=C\C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)OCC 584908621 AHIZEJBPZJPZOO-BFTNLLHJSA-N 319.376 2.943 0 50 DFAA CCN1CC[C@@H](N(CC)Cc2ccc(OC)c(OC)c2OC)C1 585116680 FOLQFLYXVGSYNI-OAHLLOKOSA-N 322.449 2.629 0 50 DFAA Cn1nccc1CC(=O)N1CCCc2ccc(F)c(Cl)c21 585125479 UWFHIATXGBTINV-UHFFFAOYSA-N 307.756 2.735 0 50 DFAA C[C@H](CN)N(C)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 653051394 YPLRMUYTZWYXHO-SECBINFHSA-N 313.323 2.616 0 50 DFAA C[C@@H](C(=O)O)N(C)CCCc1cc(-c2ccc(F)cc2)no1 736218715 AIRWDNOOGKIZSH-NSHDSACASA-N 306.337 2.818 0 50 DFAA C[C@@H]1COc2ccc(C(=O)NCc3nnc(C4CC4)s3)cc21 1615050155 QQUKONFHIJDJMA-SECBINFHSA-N 315.398 2.841 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(Cl)cc3F)C[C@@H]2O)on1 1529119033 AQGBIMNXUJHSRG-WBMJQRKESA-N 324.783 2.811 0 50 DFAA Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)nn1C 161572320 BMAZFOSJNBKCNZ-UHFFFAOYSA-N 320.201 2.836 0 50 DFAA O=C(CSc1ncn[nH]1)Nc1ccc(Cl)cc1Cl 5013908 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CCCn1cc(C(=O)N2CCC3(C=C(C)CCO3)CC2)c(C)n1 1704303343 HRGQKTZUJSEKQA-UHFFFAOYSA-N 317.433 2.943 0 50 DFAA N[C@H]1CN(Cc2ccc(-n3ccnc3)nc2)C2(CCCCC2)C1 1875290767 CGCGTQDXJUCYBF-MRXNPFEDSA-N 311.433 2.503 0 50 DFAA O=C(O)[C@H]1Cc2c(F)cccc2CN1C(=O)[C@@H]1CCC12CCC2 1875320110 GZPYRYRJIHCOAU-DZGCQCFKSA-N 317.360 2.744 0 50 DFAA CN1C(=O)C[C@@H](CNc2nc3ccccc3o2)[C@@H]1c1ccncc1 886088675 IQCHPHUJDADMSL-GUYCJALGSA-N 322.368 2.854 0 50 DFAA C[C@]12CN(C(=O)c3c[nH]nc3[C@H]3CCCO3)C[C@H]1[C@H]1CC[C@@H]2C1 887879109 BLXMRXSAPDPKDS-LKWLSGDBSA-N 315.417 2.769 0 50 DFAA O=C(c1cc2cc(F)ccc2[nH]c1=O)N1C[C@H]2CCC[C@H]2C1 890267573 FOXBKPJPMBZMTD-PHIMTYICSA-N 300.333 2.539 0 50 DFAA O=C(NCc1cc2ccccc2s1)N1CC[C@](O)(C2CC2)C1 1771729942 SDNRCSOKXPLHRB-QGZVFWFLSA-N 316.426 2.958 0 50 DFAA C[C@@H](C(=O)O)N(C(=O)c1cc(Br)cs1)C1CC1 262241792 YCXUHRJURXWEPU-LURJTMIESA-N 318.192 2.588 0 50 DFAA O=C1CN(C(=O)C2CCCCC2)C=CN1CCc1ccccc1 4492332 YQDMALZEUTXXHW-UHFFFAOYSA-N 312.413 2.951 0 50 DFAA O=C1CN(Cc2cc(O)c3ccsc3c2)[C@@H]2CCCC[C@@H]2N1 2325738707 NHDVEIATMMGEPN-UONOGXRCSA-N 316.426 2.850 0 50 DFAA c1ccc(-c2cc(CN3CC[C@H](c4cnccn4)C3)[nH]n2)cc1 2325778907 VKKFICCHDIYMLA-HNNXBMFYSA-N 305.385 2.856 0 50 DFAA Cn1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1 2325782306 MHQXEEXNBXEZSU-UHFFFAOYSA-N 319.792 2.757 0 50 DFAA Cc1cn2cc(-c3ccnc(OCCN(C)C)c3)cc(F)c2n1 2325809749 GJAJZAUMZAKHFD-UHFFFAOYSA-N 314.364 2.784 0 50 DFAA CCC[C@H](CO)N=c1[nH]c2ccc(Cl)cc2n2cncc12 2325821458 QFIMDYVKTVKFDO-LLVKDONJSA-N 304.781 2.531 0 50 DFAA Cc1nc2ccnn2c(NCCc2nc(C)c3c(n2)CCC3)c1C 2356152076 PVSIGTGLPNOAMZ-UHFFFAOYSA-N 322.416 2.588 0 50 DFAA C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc3c(c2)CCC3)C1 4833648 ORQWJBOWUUFLIA-RKVPGOIHSA-N 303.446 2.893 0 50 DFAA O=C(NCCSc1ccccc1)c1cccc(-n2cnnc2)c1 6704456 HZGNTWRUYAHKBD-UHFFFAOYSA-N 324.409 2.789 0 50 DFAA CNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 8723045 SRCILBGPQSANQR-UHFFFAOYSA-N 323.146 2.654 0 50 DFAA CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C)C1 221839921 JRRMBMPDEXYTOI-JWHHTLNTSA-N 300.468 2.508 0 50 DFAA Cc1nnc(N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)s1 225600676 OAICLWPTRPIERL-STQMWFEESA-N 310.373 2.982 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)NCCCc1cnn(C)c1 102622204 NTZJKWZBXUGASU-UHFFFAOYSA-N 310.401 2.501 0 50 DFAA Cc1ccc2c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](O)C4)cc(C)nc2c1 101854957 DJGLVQUQHQDDFQ-FICVDOATSA-N 310.397 2.980 0 50 DFAA CCC(=O)NCCn1cnc(-c2ccccc2)c1-c1nc(C)c[nH]1 67804991 UODPQBXFSOXWGT-UHFFFAOYSA-N 323.400 2.775 0 50 DFAA CC(C)(C)c1noc(Cn2cc(CCc3ccccc3)nn2)n1 67818024 POFUTYYMDMHGJO-UHFFFAOYSA-N 311.389 2.792 0 50 DFAA CC(C)NC(=O)NC[C@@H]1CCN(Cc2nc(C(C)C)cs2)C1 67587733 AWMJUTHDXOVNGI-ZDUSSCGKSA-N 324.494 2.796 0 50 DFAA O=S(=O)(Nc1ccc2nccnc2c1)c1ccc(F)cc1 1399129 SFTHIPYVDXOSKT-UHFFFAOYSA-N 303.318 2.570 0 50 DFAA O=C(CN1CCO[C@H]2CCCC[C@H]21)N(C1CCCC1)C1CC1 230144338 QNOGGHSRJYCDFG-SJORKVTESA-N 306.450 2.563 0 50 DFAA CCc1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 230163112 RTTMVFAUPCNBCH-HZPDHXFCSA-N 309.431 2.581 0 50 DFAA c1coc([C@@H](CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)N2CCCC2)c1 120964789 XCQBZYCBMOUNSM-IDCNUPLLSA-N 316.445 2.964 0 50 DFAA CN1CCN(Cc2ccc(C(=O)O)c(F)c2)c2ccccc21 318422170 MQYMEWLDYFBRLY-UHFFFAOYSA-N 300.333 2.980 0 50 DFAA CC(C)CCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219872163 VPUHHJMFYIJAPQ-IAGOWNOFSA-N 305.418 2.913 0 50 DFAA Cc1nn(C)c2c1[C@H](c1cccc(Br)c1)CC(=O)N2 72115400 VWPVZGSCWHIGFG-NSHDSACASA-N 320.190 2.965 0 50 DFAA Cc1cc(N2CCC[C@]3(CN(C)C(=O)O3)C2)c2ccccc2n1 72439665 UZTTYBHWORXMFO-SFHVURJKSA-N 311.385 2.964 0 50 DFAA CS[C@H](C)CCN1CCN(CCOc2ccccc2)CC1 72448081 IJAPBPVORNYPBG-MRXNPFEDSA-N 308.491 2.825 0 50 DFAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)s1 331812860 OAMUAMIEPILZJM-LLVKDONJSA-N 303.387 2.694 0 50 DFAA Cc1ccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)s1 215251369 RWAIELDLSYTRFU-OAHLLOKOSA-N 322.474 2.774 0 50 DFAA CN(C)C(=O)CCc1ccc(NC(=O)Cc2ccccc2)cc1 36565715 IKVSSIPCAQWDRB-UHFFFAOYSA-N 310.397 2.889 0 50 DFAA CN1CCC[C@H]1CCNC(=O)c1ccc(CCC(C)(C)O)cc1 72479657 PCOZTKAQCFJUNJ-KRWDZBQOSA-N 318.461 2.604 0 50 DFAA CC(=O)c1ccccc1C(=O)N1CCC2(CCOCC2)CC1 375971732 BYTIGVBRJUSDNT-UHFFFAOYSA-N 301.386 2.922 0 50 DFAA CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H](C(=O)O)C1 237015601 UYNXSWMZBATGFJ-QJXJPNQISA-N 317.385 2.810 0 50 DFAA COc1cccc(/C=C/C(=O)N2CCC[C@H](CCC(=O)O)C2)c1 237346285 PDJRWDNYNZMZMK-LOWQCSRCSA-N 317.385 2.812 0 50 DFAA COc1ccc2[nH]c(C(=O)N(Cc3nccn3C)C3CC3)cc2c1 218906030 OOKJDDBEQAYWOP-UHFFFAOYSA-N 324.384 2.715 0 50 DFAA COc1ccc2c(c1)CN(C(=O)NCc1ncccc1C)CC2 171708860 NDDHJPRCGWTMKU-UHFFFAOYSA-N 311.385 2.667 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 237470242 GHUKTESDDHIIAO-WCQYABFASA-N 314.351 2.834 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(Cl)cn1 71752606 UCQRJPVDOWZGRX-UHFFFAOYSA-N 306.797 2.780 0 50 DFAA O=C(O)[C@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1 238100368 XKODWLVMZNUPGW-GFCCVEGCSA-N 303.280 2.677 0 50 DFAA Cc1cn2cc(C(=O)N[C@H]3CCc4ccccc4C3)ccc2n1 223696896 VGIVKLJJTZHWNQ-KRWDZBQOSA-N 305.381 2.930 0 50 DFAA Cc1ccccc1[C@@H](C(=O)N1CCC(C(C)(C)O)CC1)N(C)C 223043330 SSFWQIBLHDNLKL-KRWDZBQOSA-N 318.461 2.607 0 50 DFAA CN(C)C(=O)CN(C(=O)/C=C/c1ccccc1)c1ccccc1 174077402 FREZTUOONAUHMF-BUHFOSPRSA-N 308.381 2.821 0 50 DFAA Cc1cnc(NC(=O)c2csc(NC[C@H]3CCCO3)n2)s1 44890211 QQGXQFHSBDAURH-SECBINFHSA-N 324.431 2.751 0 50 DFAA O=C(Cc1cccs1)N1CCC(OC[C@H]2CCCCO2)CC1 175025645 UHLKPIXMNLQWHM-OAHLLOKOSA-N 323.458 2.867 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)c(F)c1 97610288 OKHSPMUZPXRSNZ-UHFFFAOYSA-N 313.376 2.584 0 50 DFAA CCCc1cc(CN(C)C(=O)N[C@@H](C)c2c(C)n[nH]c2C)n[nH]1 426409271 HIWFGLLDFSMMPB-JTQLQIEISA-N 318.425 2.605 0 50 DFAA C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1CCC(=O)O 237390141 BXVTWJQVOKRYAV-RBSFLKMASA-N 311.422 2.828 0 50 DFAA O=C([C@@H](c1cccnc1)N1CCCC1)N1C[C@H]2CC=CC[C@H]2C1 97528961 VSLQSGCLAKYQST-FGTMMUONSA-N 311.429 2.643 0 50 DFAA Cc1nc([C@@H]2CCCN(c3ncccc3Cl)C2)cc(=O)[nH]1 96150426 XONCSAOIQISUCC-LLVKDONJSA-N 304.781 2.511 0 50 DFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccc2c(c1)OCO2 244796070 RSGPVHZDFOMWPK-ZDUSSCGKSA-N 303.358 2.637 0 50 DFAA C[C@@H](c1nc2ccccc2o1)N1CCN(c2ncccn2)CC1 180901991 UZUXTLRGIGNAQK-ZDUSSCGKSA-N 309.373 2.501 0 50 DFAA O=C(c1cc(F)ccc1O)N1CCSC[C@H]1c1nccs1 184166765 UCSHKUUHPFJLJB-NSHDSACASA-N 324.402 2.918 0 50 DFAA Cc1nn(C[C@@H](C)NCc2cccc(CO)c2)c(C)c1Cl 534590277 HMZKWFOPNSYTIG-LLVKDONJSA-N 307.825 2.824 0 50 DFAA CNC(=O)CCc1ccccc1NC(=O)c1cccc(OC)c1 823819831 VDQZQXXASGUCIY-UHFFFAOYSA-N 312.369 2.626 0 50 DFAA c1coc(-c2n[nH]c(C3(N4CCOCC4)CCCCC3)n2)c1 670458830 HNJRJOUKUMFWGA-UHFFFAOYSA-N 302.378 2.556 0 50 DFAA O=C(Nc1ccc(O)nn1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1361417388 XYDZUEAAVQDJOP-WDEREUQCSA-N 321.283 2.526 0 50 DFAA CC(C)C(=O)Nc1ccc(CNC(=O)/C=C/c2ccc[nH]2)cc1 170602989 KUSCJDTWKZVOLJ-MDZDMXLPSA-N 311.385 2.939 0 50 DFAA CCCN(CC(C)(C)O)C(=O)Nc1ccn2cc(C)nc2c1 668156436 QCMPPUUVPAUDCD-UHFFFAOYSA-N 304.394 2.658 0 50 DFAA O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 190357397 CHSFMNWQTSGWHX-QWHCGFSZSA-N 316.792 2.757 0 50 DFAA CCc1ccc([C@H](C)CC(=O)NC[C@H](C)c2nncn2C)cc1 194267331 PWJAUICJMYAVSB-KGLIPLIRSA-N 314.433 2.791 0 50 DFAA CCOC(=O)c1n[nH]c([C@H](CC(C)C)N[C@@H](C)CC2CC2)n1 585116670 FAYFDGRHSOYELA-AAEUAGOBSA-N 308.426 2.847 0 50 DFAA CN(C(=O)C1CCC(C(=O)O)CC1)[C@H]1CCc2ccccc2C1 194415235 DLWPFEQBEPTLGL-DQPZFDDXSA-N 315.413 2.893 0 50 DFAA COC(=O)N(C)c1ccc(Nc2ncnc3onc(C)c23)cc1 195510787 WAZYCHSWJXNNKN-UHFFFAOYSA-N 313.317 2.872 0 50 DFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 97570876 QSTVWHKUUKPSAW-CYBMUJFWSA-N 301.839 2.597 0 50 DFAA O=C(c1oc2ccccc2c1Cn1cccn1)N1CC(CF)C1 1615049255 JZSREWSAYMUIBF-UHFFFAOYSA-N 313.332 2.719 0 50 DFAA Cc1cc(CNC(=O)[C@](C)(c2ccccc2)N(C)C)cc(C)n1 1615538000 HJLJNBRBWYQPSI-IBGZPJMESA-N 311.429 2.792 0 50 DFAA CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1 340629 HCXXSAYDZRIMFP-OQLLNIDSSA-N 324.336 2.531 0 50 DFAA C[C@]1(O)CCOC2(CCN(Cc3ccc(F)c(F)c3)CC2)C1 1704313627 KMBRSNHUIUNDEB-INIZCTEOSA-N 311.372 2.861 0 50 DFAA Cc1cc(NCCN2CCOCC2)nc2cc3c(cc12)CCC3 1704357831 XRBVWWSOGPBULU-UHFFFAOYSA-N 311.429 2.776 0 50 DFAA C[C@@H](C[S@@](C)=O)Nc1ncc(Br)cc1Cl 235136714 MXGQKIRTWSUBJM-WDDATRMLSA-N 311.632 2.676 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccco2)cc1 1772711460 CQDYJHVRSFCLLW-CZUORRHYSA-N 324.380 2.782 0 50 DFAA CCc1ccc(OCC(=O)N2CCN=C2c2ccccc2)cc1 12466645 USIVXMFSVCMSPI-UHFFFAOYSA-N 308.381 2.917 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)NC3CC3)C2)c(C)o1 12573059 XZDISRASTBLUOJ-CQSZACIVSA-N 318.417 2.807 0 50 DFAA O=S(=O)(Cc1ccc(Br)cc1)NC1CCCC1 16578513 NKBHXTSDRWPJGV-UHFFFAOYSA-N 318.236 2.811 0 50 DFAA Cc1ccccc1O[C@H](C)C(=O)NC1CCN(C(C)C)CC1 16580037 DUYBKVJRQGCYOF-OAHLLOKOSA-N 304.434 2.751 0 50 DFAA O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1Cl 169676179 JARKDXRBWHVAPN-UHFFFAOYSA-N 322.773 2.985 0 50 DFAA CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H](C)NC(=N)O)C2)cc1 330900973 OUHGQRPFUGIWBF-DZGCQCFKSA-N 317.433 2.672 0 50 DFAA O=C(c1coc(Br)c1)N1CCC[C@H]1c1ncc[nH]1 241144867 JTTFVZLRZIZBDD-VIFPVBQESA-N 310.151 2.743 0 50 DFAA O=c1c2cc(F)c(F)cc2ncn1C[C@H](O)CC1CCCC1 242087972 WARDDXWNLWPHOD-LLVKDONJSA-N 308.328 2.616 0 50 DFAA CCO[C@H]1COCC[C@@H]1NC(=O)CCc1ccc(Cl)cc1 353191997 LVWWWSMJNWZARE-GJZGRUSLSA-N 311.809 2.583 0 50 DFAA COc1ccc(C(=O)C[C@@H](O)Cc2ccc3c(c2)OCO3)cc1 253470605 OJYHHDDPFZXRNZ-AWEZNQCLSA-N 314.337 2.600 0 50 DFAA biogenic CC(C)c1nc(CCNC(=O)N2CCC3(CCO3)CC2)cs1 369194934 RUJUINGXNYEZQE-UHFFFAOYSA-N 323.462 2.774 0 50 DFAA COc1cccc(Cl)c1CC(=O)N1CCC[C@@H]1c1ncc[nH]1 372799389 HCZMADGXIAAZAS-CYBMUJFWSA-N 319.792 2.978 0 50 DFAA C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CC[C@@H]1C(=O)O 263142801 YMGSQEJNZCKBNO-CPUCHLNUSA-N 315.413 2.751 0 50 DFAA COC[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc(C)o1 266949288 SEWDUWFDFKGUTI-GFCCVEGCSA-N 321.398 2.840 0 50 DFAA O=C(COc1cc(F)cc(F)c1)Nc1nc2cccnc2s1 1875308189 UDEFFBLVQNRCNZ-UHFFFAOYSA-N 321.308 2.987 0 50 DFAA Cc1n[nH]cc1-c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1C 1875308056 QXSKDXRKYFRWIJ-SUHUHFCYSA-N 300.410 2.529 0 50 DFAA Cc1nc([C@@H]2CCCCN2Cc2cn(C)nc2C2CC2)no1 891761547 GLSBGINDXAEANZ-AWEZNQCLSA-N 301.394 2.716 0 50 DFAA Cc1ccc(CN(CCO)C(=O)c2ccc3cnc(C)n3c2)cc1 1775996369 OJOKWJCMWAXPFJ-UHFFFAOYSA-N 323.396 2.586 0 50 DFAA CN1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 71375554 NGOHMIHLYSADFF-UHFFFAOYSA-N 315.186 2.869 0 50 DFAA CN(Cc1cc(F)cc(F)c1)C(=O)[C@@H]1CCC2(CCC2)CN1 2325801735 UFOJJETTZDCYEB-HNNXBMFYSA-N 308.372 2.846 0 50 DFAA CC(C)COC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 98334 ANQPDOLVFZHEIA-UHFFFAOYSA-N 320.414 2.536 0 50 DFAA O=C(O)c1ccc(C(=O)Nc2cccc(Cl)c2)c(C(=O)O)c1 196956 GCGJKPFXXYROPO-UHFFFAOYSA-N 319.700 2.989 0 50 DFAA Cc1ccc(NC(=N)Nc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 449040 LEJXENWGSJJVFX-UHFFFAOYSA-N 311.267 2.556 0 50 DFAA Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 528394 BNSGONYNVPTQMP-UHFFFAOYSA-N 321.833 2.946 0 50 DFAA C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)OCc1ccccc1 1163741 HWIIPQQYPSOHAR-DZGCQCFKSA-N 304.390 2.608 0 50 DFAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 1320413 PIQTVJACIRHUHO-KRWDZBQOSA-N 315.394 2.884 0 50 DFAA COc1ccc(C(=O)CCNc2ccc(-n3cncn3)cc2)cc1 2544816 BFDVZGAYLBNQEN-UHFFFAOYSA-N 322.368 2.961 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)c(C)c1 4385222 YUFDJZKKUOCUST-CYBMUJFWSA-N 313.357 2.591 0 50 DFAA NC(=O)[C@H](NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccccc1 247748712 RJYIBWBRAMIQPB-QRVBRYPASA-N 324.424 2.971 0 50 DFAA COc1ccc(NC(=O)N[C@H](C)c2ccncc2)c(OC)c1 6714170 ZCFGBBPKFDMADP-LLVKDONJSA-N 301.346 2.982 0 50 DFAA CCn1c(C)nnc1SCC(=O)NCc1ccc(Cl)cc1 6726763 DHZCDPVESNYVIL-UHFFFAOYSA-N 324.837 2.668 0 50 DFAA O=C(CCCc1ccccc1)Nc1cccc(-c2nnn[nH]2)c1 6731487 SEMQXQXQUMPCTO-UHFFFAOYSA-N 307.357 2.828 0 50 DFAA CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC1CCN(c2ccncc2)CC1 459435278 XJTJGMFJPKJQMI-KSZLIROESA-N 315.461 2.844 0 50 DFAA CC1(C)CNC(=O)c2nc(-c3ccccc3-n3cccn3)[nH]c2C1 65393600 SXVAVKLFZXPNQL-UHFFFAOYSA-N 321.384 2.575 0 50 DFAA CC[C@@H](CO)N(Cc1ccc2c(c1)OCCO2)Cc1ccco1 55369185 PPBROAROIIDLGB-HNNXBMFYSA-N 317.385 2.824 0 50 DFAA C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 10489637 OGFNFUPQLHLVEZ-QMMMGPOBSA-N 310.712 2.829 0 50 DFAA COc1ccccc1CC(=O)N1CCCC2(CCNCC2)CC1 67982853 RNYKBVUVZSUZLT-UHFFFAOYSA-N 316.445 2.620 0 50 DFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CCC[C@H](C)C1)CC2 247396391 MIFZLCUHVKEXME-YHUYYLMFSA-N 309.450 2.591 0 50 DFAA CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 421956829 YBIGYOYZZZBKOK-MRXNPFEDSA-N 323.396 2.781 0 50 DFAA CCCn1ccnc1-c1c(-c2ccccc2)ncn1[C@H](C)C(N)=O 65488726 TZKFDUSRJJQWPD-CYBMUJFWSA-N 323.400 2.870 0 50 DFAA CN(C)CCCNC(=O)C1c2ccccc2Oc2ccccc21 2140176 GNJCLTNKSQPVAE-UHFFFAOYSA-N 310.397 2.992 0 50 DFAA biogenic O=C1NC[C@@]2(CCCN(C(=O)c3cc4ccccc4s3)C2)O1 72148609 SVTUOONRSQBDAZ-MRXNPFEDSA-N 316.382 2.616 0 50 DFAA CCc1cccc(NC(=O)CN2CC[C@@H]3[C@@H](CCCN3C)C2)c1 229957752 VQTGMRNKIKUBTB-FUHWJXTLSA-N 315.461 2.604 0 50 DFAA CCCCN1CCCC[C@@H]1C(=O)N(C)c1ccc(OC)nc1 253405354 KZFBAEZMMNIMNR-OAHLLOKOSA-N 305.422 2.708 0 50 DFAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c1 253599144 ATJHYHZCKARHMH-IXDOHACOSA-N 310.401 2.554 0 50 DFAA C[C@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@H](C)N1 153262442 UPWWZCMEZXBGCA-KBPBESRZSA-N 311.385 2.696 0 50 DFAA CCCc1nnsc1C(=O)N(C)CCc1scnc1C 72429533 BMIBTJZUIWEMAV-UHFFFAOYSA-N 310.448 2.570 0 50 DFAA COCCOC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 72150983 VZCRWSKOALDUGI-ZDUSSCGKSA-N 317.345 2.657 0 50 DFAA O=C(c1ccc(NS(=O)(=O)C[C@@H]2CCCO2)cc1)C1CCC1 330120718 GMWLDVPMXMOHBX-HNNXBMFYSA-N 323.414 2.590 0 50 DFAA CCCN1CC2(CCN(Cc3cccs3)CC2)C[C@@H]1C(=O)O 72454766 BUIZCLPNSLAJSO-OAHLLOKOSA-N 322.474 2.899 0 50 DFAA Nc1cc(N[C@H]2CCCN(CCCc3ccccc3)C2)ncn1 72473340 SDLZOFXJCMMPIX-INIZCTEOSA-N 311.433 2.568 0 50 DFAA Cc1ccc(C2CCN(S(=O)(=O)c3ccoc3)CC2)cn1 332403203 AEEBSJIQJHWOLS-UHFFFAOYSA-N 306.387 2.551 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(C(=O)O)cc1F 262389452 MPTPOQSMCMHZLP-ABAIWWIYSA-N 323.364 2.849 0 50 DFAA O=C(CCC1CCNCC1)N1CCO[C@@H](c2ccccc2F)C1 237879128 NVUJTMMYUCSHLN-QGZVFWFLSA-N 320.408 2.505 0 50 DFAA C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)[C@H]1CC1(F)F 606445175 WFYMKUCXTDRSIL-NILFDRSVSA-N 323.387 2.592 0 50 DFAA CSCc1ccc(N2CCC(CN3CCCC3=O)CC2)nc1 82136888 MEDIEBVDCZNGNI-UHFFFAOYSA-N 319.474 2.783 0 50 DFAA Cc1cccc(C)c1OCCN1CCC[C@@H]1[C@@H]1COCC[C@H]1O 337248513 IXQWEIVITXDSGB-RCCFBDPRSA-N 319.445 2.544 0 50 DFAA COC(=O)CCC(C)(C)NC(=O)c1coc(Br)c1 240668514 HNDRSZLFVQWQGH-UHFFFAOYSA-N 318.167 2.504 0 50 DFAA CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1cccnc1C(F)(F)F 287380375 NMGQCGNTECXUPD-NXEZZACHSA-N 322.352 2.910 0 50 DFAA CCOC(=O)[C@@]1(C)C[C@H](OCc2ccccc2)C[C@@H](OC)O1 43762680 BGPCUCOPISZHGO-HLLBOEOZSA-N 308.374 2.677 0 50 DFAA CN(Cc1cc(C2CC2)on1)C(=O)CCn1cnc2ccccc21 223966775 JQEZFYIJJHEWAA-UHFFFAOYSA-N 324.384 2.950 0 50 DFAA CCS(=O)(=O)c1ccccc1NCc1ccnc(N(C)C)c1 225517250 ROUSNWKYYRFSGD-UHFFFAOYSA-N 319.430 2.553 0 50 DFAA Cc1cc(C(=O)N[C@@H](C)COc2c(C)cccc2C)n(C)n1 97347561 PHCOXGWBJGNHRV-AWEZNQCLSA-N 301.390 2.543 0 50 DFAA COCCC[C@@]1(CO)CCCN(C(=O)NC2CCCCC2)C1 91390720 QUQIDBQYERZPJZ-KRWDZBQOSA-N 312.454 2.530 0 50 DFAA Cn1cnnc1C1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 91305831 YEZOUBHDJQOPOC-INIZCTEOSA-N 324.428 2.641 0 50 DFAA Cc1cc(-c2ccccc2)nnc1O[C@@H](C)CN1CCOCC1 96028025 DFWMPUOQESRKTI-HNNXBMFYSA-N 313.401 2.552 0 50 DFAA c1ccn2c([C@@H]3CCCN(C4CCSCC4)C3)nnc2c1 92892977 SGBCEAKRRVKZMD-CYBMUJFWSA-N 302.447 2.804 0 50 DFAA O=C1COc2c(F)cc(NC(=O)NCC3=CCCCC3)cc2N1 97155666 DMJWQYVPZDLDTA-UHFFFAOYSA-N 319.336 2.779 0 50 DFAA Cc1nccn1CCCN1CCC[C@H](C(=O)c2ccccn2)C1 240163607 JCHDGFBLJYHWFT-INIZCTEOSA-N 312.417 2.572 0 50 DFAA CCOC(=O)Cc1ccc(Br)nc1Br 263625172 XIUPHGIWBWIHGH-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA COc1ccccc1C1CCN(C(=O)CCc2cn[nH]c2)CC1 952868286 IONGEVLIGVNBMR-UHFFFAOYSA-N 313.401 2.757 0 50 DFAA COc1cc(C(=O)Nc2cccc(CN3CCCC3)c2)ccn1 952991332 NZRPONKTONYODS-UHFFFAOYSA-N 311.385 2.938 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccsc2)c2ccccc21 167130486 IXZFOGADAVTBMC-CYBMUJFWSA-N 301.367 2.896 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2)[C@]12CCCO2 273656024 JJOFAOOMNPEFEV-LZLYRXPVSA-N 318.417 2.555 0 50 DFAA O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CC=CCC1 170057504 NHTOLINPHCDTKF-BXUZGUMPSA-N 312.772 2.920 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2CC[C@H](C3CCOCC3)C2)c1 634692078 UBUBTZKUEWIELL-RDJZCZTQSA-N 319.401 2.569 0 50 DFAA Cc1cncc(CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)c1 642250790 WXERBPRMOMHBLI-RYUDHWBXSA-N 301.390 2.637 0 50 DFAA Cc1ccnc(N2CCN(Cc3cccc4cccnc34)CC2)n1 584906956 JJWXXPRNBLXZNR-UHFFFAOYSA-N 319.412 2.655 0 50 DFAA CC1CCN(c2ccc(CNC(=O)N3CC(C)(C)C3)cn2)CC1 683973287 IIZGLVNBMCHMJS-UHFFFAOYSA-N 316.449 2.869 0 50 DFAA Cc1c(NC(=O)[C@@H](C(=O)O)C2CCCC2)cccc1N(C)C 663043985 LRQJNYMHCRABFW-HNNXBMFYSA-N 304.390 2.891 0 50 DFAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnc4c(F)c(F)ccc4c3)C[C@H]21 1615544437 BOMGXWBWYPYLGV-BQSGVUBFSA-N 317.339 2.825 0 50 DFAA CN(CCOc1cccc(Cl)c1)C(=O)CCCc1cn[nH]c1 1506420635 AAUROJKJXGANRF-UHFFFAOYSA-N 321.808 2.923 0 50 DFAA CC[C@H]1CN(Cc2cc(C(=O)O)ccc2OC)CCN1C(C)C 1529182630 WWHDCZGDECNKOF-INIZCTEOSA-N 320.433 2.698 0 50 DFAA CO[C@H]1CN(Cc2ccccc2F)C[C@H]1Cc1cc(C)no1 1704354537 FYVBDBNTLOTVHE-PBHICJAKSA-N 304.365 2.812 0 50 DFAA CC1=CC2(CCN(C(=O)CCc3cccnc3)CC2)OCC1 1704339559 MGQOFOFHXKJANX-UHFFFAOYSA-N 300.402 2.742 0 50 DFAA C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1F 120893115 NCWSBJNUISJDFP-DTWKUNHWSA-N 303.736 2.994 0 50 DFAA CN1C[C@H](CN2CCC(Cc3ccccc3)CC2)CCC1=O 1772803954 BFEZQCHMFJKHKB-GOSISDBHSA-N 300.446 2.810 0 50 DFAA COc1cc(C=O)ccc1OCC(=O)Nc1cc(F)ccc1C 5063619 MVGFTNPJDMXKOG-UHFFFAOYSA-N 317.316 2.973 0 50 DFAA CC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)N2CCOCC2)C1 5976732 JQLDWDHDHOKDNH-NSHDSACASA-N 322.474 2.954 0 50 DFAA COc1ccc(-c2nc(CN3CCC[C@H]3CO)c(C)o2)c(F)c1 11814031 IXGXMZOTOWNXLO-LBPRGKRZSA-N 320.364 2.754 0 50 DFAA O=C(c1ccccc1F)N1CCCn2c1nc1ccccc1c2=O 13362400 AUOUOHNKGLMZCR-UHFFFAOYSA-N 323.327 2.586 0 50 DFAA O=C1C[C@@H](NCC2CC2)CN1Cc1ccccc1C(F)(F)F 15071296 UYTFJOGPXMPLNR-CYBMUJFWSA-N 312.335 2.806 0 50 DFAA COc1ccc(NC(=S)N2C[C@H](C)O[C@H](C)C2)cc1OC 16361060 FQWSSOWFPWBKQM-PHIMTYICSA-N 310.419 2.510 0 50 DFAA NC(=O)CCCCC(=O)OCc1ccc(Br)cc1 225841249 DPGLTPHKHPBBGL-UHFFFAOYSA-N 314.179 2.538 0 50 DFAA CC[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 378158114 KVDSXGYQLFOZKM-MSOLQXFVSA-N 316.445 2.550 0 50 DFAA O=C(Nc1ccc(C2CC2)cn1)N1CCC2(CCNCC2)C1 904548155 KBDWVWOXUNCJKA-UHFFFAOYSA-N 300.406 2.566 0 50 DFAA Cc1c(CS(C)(=O)=O)cccc1NCCOCC1CCC1 864095973 QLOGZJZUUSGBCM-UHFFFAOYSA-N 311.447 2.768 0 50 DFAA OC[C@H]1C[C@@H](Nc2nc(-c3cccnc3)nc3ccccc23)C1 866004304 HNNPNOQLJCCFRR-XBXGTLAGSA-N 306.369 2.875 0 50 DFAA CC(C)(C)NC(=O)c1cccc(NCc2nc(CO)cs2)c1 952994731 UNLXZMNZKRDHMI-UHFFFAOYSA-N 319.430 2.776 0 50 DFAA COc1cc(N2CCN(CC34COC(C)(C3)C4)CC2)ccc1F 952992389 LTAPABVLDXNQBJ-UHFFFAOYSA-N 320.408 2.525 0 50 DFAA O=C(C1CC1)N1CCCN(c2ncc(F)c3ccccc23)CC1 1875294303 DCUSZNRVHJNHLQ-UHFFFAOYSA-N 313.376 2.823 0 50 DFAA C[C@@H]1CN(C[C@H]2OC(=O)CC2(C)C)C[C@@H](c2ccsc2)O1 1875275060 SYUNUBSJNJELRY-KWCYVHTRSA-N 309.431 2.852 0 50 DFAA Cc1c(Cl)nc(-c2ccccn2)[nH]c1=NCCC1(N)CCC1 1875307849 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302.447 2.950 0 50 DFAA CCC[C@@H]1C=CCN1c1ncnc2sc3c(c12)CCNC3 65508678 FRYJIGSIPBZMJP-LLVKDONJSA-N 300.431 2.882 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CC(=O)Nc3ccccc32)c1 431275935 ODKKBCSMBSOTQH-UHFFFAOYSA-N 316.744 2.948 0 50 DFAA Cc1[nH]c2ccc(CNC(=O)CCc3cnccn3)cc2c1C 67841829 JSUJOGCFKDFBCN-UHFFFAOYSA-N 308.385 2.824 0 50 DFAA Cn1cnc2cc(C(=O)O[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccc21 252477940 YBOWLORMBPEARQ-DAXOMENPSA-N 314.385 2.934 0 50 DFAA NCC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71747760 NWZPTXXCIFYEQW-CYBMUJFWSA-N 314.351 2.835 0 50 DFAA Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)CC[C@H]1CCCO1 230124800 NJIYDJIIJPVSEO-BFYDXBDKSA-N 320.433 2.675 0 50 DFAA C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)O 71375985 HKVIURWMDOWCPU-MRVPVSSYSA-N 324.789 2.595 0 50 DFAA CC1=NN(c2ccc(C(=O)N3CCC[C@H]3c3ncc[nH]3)cc2)CC1 253422898 GVWUGDZALQHUSD-INIZCTEOSA-N 323.400 2.973 0 50 DFAA CC(C)[C@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)N(C)C 72476099 XOTTVWFRPZZAJQ-KRWDZBQOSA-N 320.477 2.706 0 50 DFAA Cc1[nH]ccc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331666195 UHCMZZCNOZLNBD-ABAIWWIYSA-N 306.312 2.549 0 50 DFAA Cc1nc([C@H]2CCCN(C(=O)c3nc(C(C)C)cs3)C2)n[nH]1 215043692 IJSDZYHUYMJBSF-NSHDSACASA-N 319.434 2.713 0 50 DFAA CC(C)N(C)C(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 375615961 BVZNPXDWIUSQPL-CQSZACIVSA-N 311.426 2.534 0 50 DFAA Cc1ccc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c(C)c1 262003079 VIOUPMKIWQWALA-AWEZNQCLSA-N 315.291 2.783 0 50 DFAA C[C@H](O)C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1 71589410 REJJEAFMFPANFY-LBPRGKRZSA-N 322.364 2.760 0 50 DFAA CN(C[C@@H]1CCCOC1)C(=O)Nc1ccc2c(c1)CCCO2 171675327 DWXVWILBOZKUOI-ZDUSSCGKSA-N 304.390 2.902 0 50 DFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 41115310 IAZLGZXRASVPKX-UHFFFAOYSA-N 308.353 2.519 0 50 DFAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc2cccnc2s1 449789758 IEADDTBRBFTDKP-NSHDSACASA-N 301.415 2.510 0 50 DFAA O=C1CCCCN1c1cccnc1-c1cc(F)ccc1CO 606445468 XVNLZIOXKPXGLY-UHFFFAOYSA-N 300.333 2.897 0 50 DFAA O=C([C@H]1COc2ccccc2C1)N1CCC[C@@H]1c1cccnc1 340571482 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CCN(CC)Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(C)o1 96150576 MUDNGQGIBPKRIR-GFCCVEGCSA-N 305.378 2.984 0 50 DFAA COc1ccc(C)cc1[C@H](C)NC(=O)Cc1nnc(C)s1 616213745 JIFODAONTMRIQQ-JTQLQIEISA-N 305.403 2.583 0 50 DFAA CC[C@H](C)[C@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 236925831 YLEFKENQIFYOLP-XPTSAGLGSA-N 323.824 2.544 0 50 DFAA CCc1cc(N2CCn3c(nnc3-c3ccccc3)C2)nc(C)n1 180446892 GNCRSOQDCKRNIO-UHFFFAOYSA-N 320.400 2.626 0 50 DFAA O=C(Nc1ccnnc1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 297409025 MFYFCRWIILCGIN-GJZGRUSLSA-N 308.385 2.792 0 50 DFAA CN(C)c1nc(=NCC2(c3ccc(Cl)cc3)CC2)s[nH]1 534649218 LLZOHULWQRKMDW-UHFFFAOYSA-N 308.838 2.823 0 50 DFAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc2[nH]cnc2c1 282144731 ZTTWZDMQVXYSIE-INIZCTEOSA-N 309.373 2.664 0 50 DFAA CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1COC[C@@H]1O 299801235 XANSEVQQDAUKMU-RYUDHWBXSA-N 319.188 2.607 0 50 DFAA COc1cccc(C(=O)N[C@@H](C)Cc2ncccc2C)c1F 584902322 FPSHTWSGMLXVJA-LBPRGKRZSA-N 302.349 2.899 0 50 DFAA Cc1onc(-c2cccs2)c1C(=O)N[C@H]1CCn2cncc21 1337297619 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CC[C@@H](NC1CCN([C@H](C)c2ccccc2)CC1)C(=O)OC 192849784 PPAQKLSEGKOUSL-RHSMWYFYSA-N 304.434 2.753 0 50 DFAA C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1csc(O)n1 649084241 JGQGUCJYLAWYFQ-RNCFNFMXSA-N 322.361 2.590 0 50 DFAA Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCCCC(=O)N3)cc2)o1 193758122 CGUVEBOJCQGRMV-AWEZNQCLSA-N 313.357 2.647 0 50 DFAA CCc1nn(C)cc1NC[C@@H]1CCCO[C@H]1c1cnn(CC)c1 657426197 XREFJVJJZHWYBN-SUMWQHHRSA-N 317.437 2.779 0 50 DFAA Cn1ccc(C2CCN(C(=O)C3CCCCC3)CC2)cc1=O 1772805128 HUCQFTUTBXZYCU-UHFFFAOYSA-N 302.418 2.672 0 50 DFAA CN(C)c1ccccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 12319842 HPPWBOZAEHSMDH-KRWDZBQOSA-N 324.424 2.836 0 50 DFAA O=C1CCN(C(=O)[C@H]2CC=CCC2)CCN1Cc1ccccc1 14965748 MCURLXHVUQALFR-KRWDZBQOSA-N 312.413 2.604 0 50 DFAA CC(C)(C)C(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 15072664 NWAJCASUSUVXQN-AWEZNQCLSA-N 322.836 2.646 0 50 DFAA CN1CCCN(Cc2ccc(F)c(Br)c2)CC1 19537462 YTFMOPZKKZSRTN-UHFFFAOYSA-N 301.203 2.726 0 50 DFAA Cc1c(Cl)c(C(=O)NC[C@@H](c2cccnc2)C(C)C)nn1C 421478537 FFANDHDBZZQIFR-CYBMUJFWSA-N 320.824 2.947 0 50 DFAA O=C(O)CN(Cc1ccccc1)C(=O)c1ccnc(C2CC2)c1 630126778 JZACYWZPBJNERK-UHFFFAOYSA-N 310.353 2.686 0 50 DFAA C[C@@H]1[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)CCC[C@H]1C 252586538 QRUNIIHNLKWMIE-PWGAFSCYSA-N 302.418 2.769 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CCC(c4nc[nH]n4)CC3)cc2c1C 363596061 YIZNEDWSJYVFTQ-UHFFFAOYSA-N 323.400 2.923 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)CC(C)(C)C(=O)O)C2)cc1 367994992 XCNOSFLHYCTLJT-ZDUSSCGKSA-N 305.374 2.512 0 50 DFAA O=C(c1ccsc1C(F)F)N1CCC[C@@H](n2ccnn2)C1 823245475 QSLQIGXEPNFUET-SECBINFHSA-N 312.345 2.755 0 50 DFAA O=C(O)[C@H](c1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 833170708 IYPGMXXYQQDWAB-QRTARXTBSA-N 307.365 2.578 0 50 DFAA O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc(C(F)F)ncn1 932451685 ZXOUNXBHBUMUGZ-JTQLQIEISA-N 323.274 2.807 0 50 DFAA CCC1(CC)CNC(=O)[C@H]1NCc1csc(-c2ccoc2)n1 933291567 XTOVMCCNDLJFEG-CYBMUJFWSA-N 319.430 2.798 0 50 DFAA CC(C)c1nsc(CN2CCO[C@@H](c3nccs3)C2)n1 822281161 BBFRFOAOBAWBSM-SNVBAGLBSA-N 310.448 2.692 0 50 DFAA C[C@@H](NC(=O)c1cc2c(F)ccc(F)c2[nH]1)C1CCN(C)CC1 2325732644 GDFFNUVDDSIIAV-SNVBAGLBSA-N 321.371 2.906 0 50 DFAA CCOc1ccccc1C(=O)N1C[C@@H](C(=O)O)C2(CCCC2)C1 2325790140 RDZOCVCIMZKQCG-AWEZNQCLSA-N 317.385 2.802 0 50 DFAA CC1(C)CCC[C@]1(C)NC(=O)c1csc(C[C@@H]2CCNC2)n1 2325828820 SAGLWMLLBOVWRD-SJCJKPOMSA-N 321.490 2.994 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 251239 DZMZBNNEKOBFJJ-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA O[C@H](CNC[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21 277124 JPUNTPUYBIWRFB-HZPDHXFCSA-N 324.424 2.924 0 50 DFAA O=c1cc(CO)n(Cc2ccco2)cc1OCc1ccccc1 2532468 ZHUIAHWGGGLIQU-UHFFFAOYSA-N 311.337 2.561 0 50 DFAA COc1ccc(OC)c(CNCc2ccc3c(c2)OCO3)c1 4141062 WNRBNUFQXLAHRP-UHFFFAOYSA-N 301.342 2.722 0 50 DFAA biogenic Cc1ccc(S(=O)(=O)CCC(=O)N(C)C2CCCCC2)cc1 6701381 DDFIKBQFKCXNNO-UHFFFAOYSA-N 323.458 2.950 0 50 DFAA Cc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1 6703471 IHRCRYRBAUMRGM-UHFFFAOYSA-N 307.353 2.904 0 50 DFAA CN1CCCC12CCN([C@H]1CCc3ccccc3NC1=O)CC2 411440075 GWVBCCOZOMOBAO-KRWDZBQOSA-N 313.445 2.500 0 50 DFAA CC(C)=CCN1CCN(Cc2cccc(F)c2)C[C@H]1CCO 104449598 MXCHYZWODQHCJW-GOSISDBHSA-N 306.425 2.661 0 50 DFAA OCc1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 225560776 YJXAAVKSPYOCQK-MAUKXSAKSA-N 319.351 2.765 0 50 DFAA O=C(CC1=CSC2=NCCCN12)N[C@H]1CC[C@@H]2CCC[C@@H]21 101879361 FSZYPNUFRAVOSI-UBHSHLNASA-N 305.447 2.721 0 50 DFAA CCO[C@@H]1C[C@H](N[C@H]2CCCn3ncnc32)C12CCCCC2 245844648 FHHMGRHULPJISS-SOUVJXGZSA-N 304.438 2.831 0 50 DFAA CCC(CC)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59746032 LKSGXPZSTTULLR-CQSZACIVSA-N 320.408 2.983 0 50 DFAA Cc1nn2cnc3sc4c(c3c2nc1=O)CC(C)(C)SC4 22063984 PLQBKIDJFWVJLT-UHFFFAOYSA-N 318.427 2.576 0 50 DFAA COc1cccc(-c2noc(-c3cccc4c3oc(=O)n4C)n2)c1 136526340 LVWKFIHQOXOHON-UHFFFAOYSA-N 323.308 2.857 0 50 DFAA COc1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c1 20301069 NLJMVRDXBXQTKA-QGZVFWFLSA-N 324.380 2.939 0 50 DFAA CCc1noc(CN(CC)[C@@H](C)C(=O)Nc2ccc(C)cc2)n1 65527279 VSVSCTZVCIGEGT-ZDUSSCGKSA-N 316.405 2.790 0 50 DFAA CCc1ccc([C@H]2CC(=O)NCc3nc4c(C)cccn4c32)o1 65407729 QUHRMUMHMKFZQJ-CYBMUJFWSA-N 309.369 2.950 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3cccc(O)c3)C2)cc1 5028939 WLLYWWFVXUBJRT-MRXNPFEDSA-N 312.325 2.533 0 50 DFAA COC(=O)CCCNC(=O)Nc1ccc2nc(C)sc2c1 253424929 UYTIAVAJAXGHJX-UHFFFAOYSA-N 307.375 2.679 0 50 DFAA O=C(c1ccccc1NCCCCCF)N1CCC[C@H](O)C1 253415851 IBXNTGRNVXALSI-AWEZNQCLSA-N 308.397 2.835 0 50 DFAA CNC(=O)C(=O)N1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 367380550 ADPXYNOWVMNJTQ-OAHLLOKOSA-N 324.380 2.541 0 50 DFAA Cc1c(Cl)c(C(=O)N2CCC[C@@H]2c2cccnc2)nn1C 331456961 AHKACUVCYMDXMN-GFCCVEGCSA-N 304.781 2.754 0 50 DFAA C[C@@H](c1ccsc1)N1CCN(C(=O)CC[C@H]2CCOC2)CC1 129879918 LSGOBAYVSXWXHK-GJZGRUSLSA-N 322.474 2.770 0 50 DFAA Cc1ccsc1CN(C)C(=O)c1nn(C)c2c1CCCC2 71712173 NVHWZJPGPGKEQK-UHFFFAOYSA-N 303.431 2.941 0 50 DFAA Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cnn3ccccc13)O2 375883232 AUUPJJNFQUDQKF-GOSISDBHSA-N 321.380 2.653 0 50 DFAA CCO[C@H]1C[C@@H](NCc2nnc(C3CCC3)n2C)C12CCCC2 333632377 ALVWVEHKGKXUJM-CABCVRRESA-N 318.465 2.910 0 50 DFAA CCOc1cc2c(cc1-c1nccn1CCn1cnnc1)CCC2 72424626 SQIHRPGPMRXGEN-UHFFFAOYSA-N 323.400 2.729 0 50 DFAA Cc1nnc(CN2CCC[C@@H]2c2cccc3c2OCCO3)s1 240668484 HNBRIHIJVGDHSZ-CYBMUJFWSA-N 317.414 2.955 0 50 DFAA O=C1CCCN1C1CCN(Cc2ccc3ncccc3c2)CC1 132003231 AYWRQCMCLIWTFZ-UHFFFAOYSA-N 309.413 2.822 0 50 DFAA Cc1occc1C(=O)NC1CCN(C(=O)CCC2CCC2)CC1 176418779 MNRFVYOCCLHCCH-UHFFFAOYSA-N 318.417 2.889 0 50 DFAA O=C(O)[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2)c2ccccc21 177471673 FUNBRTKUECMNAS-LBPRGKRZSA-N 317.291 2.722 0 50 DFAA CC(C)Cc1nc(CN2C(=O)CSc3ccccc32)no1 95381470 DINGNLMTJSKISG-UHFFFAOYSA-N 303.387 2.907 0 50 DFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H]1CCCOC1 237763013 FTLDTMXOCKNYBB-HNNXBMFYSA-N 303.381 2.897 0 50 DFAA Cc1ccsc1[C@H](CNC(=O)c1ccn(C)c1C)N(C)C 426538323 GQOPGIVSKBWEAI-AWEZNQCLSA-N 305.447 2.736 0 50 DFAA CSCC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 237308248 RTPUWOJNHITMQX-LZWOXQAQSA-N 306.475 2.780 0 50 DFAA CCCSc1ccccc1NC(=O)NCCCn1cncn1 95501617 WWSUZIMGKBGTRF-UHFFFAOYSA-N 319.434 2.992 0 50 DFAA CC(C)Nc1ncc(C(=O)NCc2ccc(Cl)s2)cn1 97743357 WIBWXHLWXUFBCI-UHFFFAOYSA-N 310.810 2.942 0 50 DFAA COc1ccc2sc(C(=O)N(C)[C@H]3CCNC3)c(C)c2c1 179092224 IZLFCNMFTRQHED-NSHDSACASA-N 304.415 2.652 0 50 DFAA CSCCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95361258 XQOYLUUTGMFJGQ-AWEZNQCLSA-N 307.415 2.844 0 50 DFAA C[C@@H](c1ncnn1CCc1ccccc1)n1cc(Cl)cn1 95382925 USRQLEAKUIHPDS-LBPRGKRZSA-N 301.781 2.980 0 50 DFAA COc1ccc(CN2CCC3(CCC(=O)N(C)C3)CC2)cc1C 91998091 SMZBUMYDPLKPIT-UHFFFAOYSA-N 316.445 2.838 0 50 DFAA CS(=O)(=O)C[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 97324024 XALLTJKWIDJMBC-TXTHVTMNSA-N 311.422 2.596 0 50 DFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc2n(n1)CCC2 294993860 OSGVHVSWYVVNCW-CYBMUJFWSA-N 313.401 2.541 0 50 DFAA CCOC1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 295023359 WKJVDSVAMFSYBA-UHFFFAOYSA-N 323.820 2.636 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCOc1ccc(F)cc1 299743536 OCCDXRINFYMWTQ-KCXAZCMYSA-N 307.365 2.922 0 50 DFAA CCN1CCC(NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 534670847 UUOPSDMXHATCIM-OAHLLOKOSA-N 305.441 2.726 0 50 DFAA CC(=O)NCc1ccc(NC(=O)NCC2=CCCCC2)cc1 296565204 GPGVZQBFMMIERD-UHFFFAOYSA-N 301.390 2.945 0 50 DFAA Cc1csc([C@@H](C)CNC(=O)CCc2n[nH]c(C)c2C)n1 584898006 UBTYWCVCQGUPAZ-VIFPVBQESA-N 306.435 2.644 0 50 DFAA CCOCC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 584889554 JEABXXRVQXTXEZ-QGZVFWFLSA-N 304.434 2.756 0 50 DFAA CC(=O)Nc1cccc2c1CN(C(=O)c1ccc(C)nc1)CC2 870454258 JPEBUNYPTBUDDG-UHFFFAOYSA-N 309.369 2.547 0 50 DFAA CN(C)c1nccc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 408512960 GXTUNVDFLBAECN-UHFFFAOYSA-N 322.416 2.803 0 50 DFAA C[C@@H](Oc1ccc(NC(=O)[C@]2(C)CC2(F)F)cc1F)C(=O)O 630260254 IHVHTDVJDRZTTN-UHLUBPPHSA-N 317.263 2.661 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)[C@H]2CCC[C@H]21 630275886 UYXSZYJZOZQUKI-MJBXVCDLSA-N 309.312 2.680 0 50 DFAA CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCN(c2nccnc2O)C1 275558492 NSBXOKKZIXOKNY-HRCADAONSA-N 316.449 2.733 0 50 DFAA CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)c1ccccc1 170342695 RZVVGGGTGKJEAS-HNNXBMFYSA-N 310.397 2.913 0 50 DFAA COC[C@]1(C)NC(=O)N(CCC23CC4CC(CC(C4)C2)C3)C1=O 170620536 NJETUDAJKXNDGJ-BMRMXDDPSA-N 320.433 2.550 0 50 DFAA CN(CC(=O)N1CCC(Oc2ccccc2F)CC1)C1CCC1 640876189 BVVJLQPQRPSBAY-UHFFFAOYSA-N 320.408 2.680 0 50 DFAA CCNc1ncc(C(=O)N[C@H]2CCOc3c(F)cccc32)s1 191421284 KHYJGQYOHRLCAY-NSHDSACASA-N 321.377 2.968 0 50 DFAA C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(-n3cccn3)nc2)[nH]n1 192220339 NCCWVUVZUTWBDN-JQWIXIFHSA-N 323.360 2.758 0 50 DFAA CC(C)(C)c1noc(Cn2ccc(C(F)(F)F)cc2=O)n1 192562498 RTOWOMDHDTZYSC-UHFFFAOYSA-N 301.268 2.596 0 50 DFAA COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)CN2 723728744 UXCGKNLOYFIERD-ZDUSSCGKSA-N 320.389 2.725 0 50 DFAA C[C@@H](C(=O)O)c1cccc(NC(=O)C[C@@H](C)n2ccnc2)c1 652072942 PTDNFVCAILYROR-VXGBXAGGSA-N 301.346 2.661 0 50 DFAA CC1(C(=O)O)CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1 652490701 UVYRZACOCMFERY-UHFFFAOYSA-N 313.300 2.695 0 50 DFAA c1ccc(C[C@@H]2CCC[C@H]2N=c2ccc3ncc[nH]c-3n2)nc1 585098904 PJSZVAVLINDHEN-DZGCQCFKSA-N 305.385 2.617 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cccc3c2C(=O)OC3(C)C)CCO1 585085960 KWLPNXMSHHJUSY-LLVKDONJSA-N 317.385 2.780 0 50 DFAA CCS[C@H]1CCCCN(C(=O)c2cncc3nc[nH]c23)C1 585132504 YMUYXGWCGXYPNR-NSHDSACASA-N 304.419 2.706 0 50 DFAA O=C(O)[C@H]1CN(C[C@H]2CCOc3ccccc32)CCC1(F)F 1614994574 HCQUTVGTLUMRHR-DGCLKSJQSA-N 311.328 2.595 0 50 DFAA CCCc1cc(C(=O)NCc2cncc(Br)c2)no1 1615551038 WGOMATBENGSUAG-UHFFFAOYSA-N 324.178 2.715 0 50 DFAA Cc1cc(C)n(CC2(CNC3CSCCSC3)CC2)n1 1506395837 NSTKMKHXTQVKJP-UHFFFAOYSA-N 311.520 2.718 0 50 DFAA O=C(c1ccc(Cl)cn1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1800416079 SWHZCIZOQIFJDC-MRXNPFEDSA-N 316.792 2.578 0 50 DFAA COc1ccc(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cc1F 1704345548 ZKJMPOOVEBZOMI-QLFBSQMISA-N 320.408 2.523 0 50 DFAA Cc1ccc(Cl)c(OCCN2C[C@H]3CCCN3C(=O)[C@H]2C)c1 1772701661 RFKQNMVDVCLNQI-ZIAGYGMSSA-N 322.836 2.722 0 50 DFAA CC(C)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 12382204 SDLLUUCUYMADLF-UHFFFAOYSA-N 320.408 2.840 0 50 DFAA COc1ccc(CCC(=O)NC2CCN(C(C)C)CC2)cc1 12382498 LMWRHLKCSSPFNN-UHFFFAOYSA-N 304.434 2.617 0 50 DFAA Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2CC2CC2)cc1 12440026 ZCDWHUOXIAYDOC-GOSISDBHSA-N 324.428 2.994 0 50 DFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N(C)c1ccccc1 13632595 ICOHIRWRTZJUDY-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(N)=O)c1 13685791 AODUOLKJMNGTHA-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA O=c1c2[nH]ccc2ncn1Cc1cccc(OC(F)(F)F)c1 1875251025 QXCBLTXTNLONEQ-UHFFFAOYSA-N 309.247 2.672 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1 3855723 MGFQTAXIYWVXQN-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA in-vitro Cc1scc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)c1C 333232105 CFVYEZRWNRXQMN-GOEBONIOSA-N 322.474 2.723 0 50 DFAA Cn1cc(N2CCC[C@H](N3[C@H]4CC[C@H]3c3ccccc34)C2=O)cn1 239366956 AGXKQCXTDQGOJI-BZSNNMDCSA-N 322.412 2.807 0 50 DFAA CC(C)O[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)C1 457881738 KOCRPLKUFFVGBC-OKILXGFUSA-N 304.365 2.922 0 50 DFAA CO[C@H]1CCC[C@H](CC(=O)NCc2cccc(C(=O)O)c2)C1 668273672 INQOSJFBMNDPDS-WFASDCNBSA-N 305.374 2.596 0 50 DFAA CC(C)C[C@@H](C)NC(=O)c1cnn2c(-c3cccnc3)ccnc12 585140610 HSWSZXORFWGOTL-CYBMUJFWSA-N 323.400 2.956 0 50 DFAA Cc1nc([C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](C)O)cs1 585130039 GAENXGVSHDHUFM-BJOHPYRUSA-N 324.833 2.886 0 50 DFAA C[C@H](CN1CCC[C@@H](N(C)CC(=O)O)CC1)c1ccccc1 263507739 MNKQQCQEZQRTOI-NVXWUHKLSA-N 304.434 2.661 0 50 DFAA C[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1)c1cnn(C)c1 266451203 BTYJVBDAWIVFHR-RHSMWYFYSA-N 312.417 2.898 0 50 DFAA COc1ncc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)cn1 837936723 QMXSPTUHSVYKLR-HZPDHXFCSA-N 311.385 2.894 0 50 DFAA O=C(O)[C@H](CNCc1ccccc1C1CC1)C1CCOCC1 863743845 UUDDALKQYQUXBR-QGZVFWFLSA-N 303.402 2.781 0 50 DFAA CN(C)c1ccc(-c2noc([C@@H]3CCCC(=O)N3C)n2)cc1F 1875283880 HNMLIKKWTAQSMN-ZDUSSCGKSA-N 318.352 2.625 0 50 DFAA C[C@H](Nc1ncnc2cc(Br)ccc12)c1nc[nH]n1 1875333100 APDCNSJWBLLKDH-ZETCQYMHSA-N 319.166 2.684 0 50 DFAA CCn1ncc(COC(=O)c2cn(C)c3c(Cl)cccc23)n1 1875344794 MTZBMQDDVFPELU-UHFFFAOYSA-N 318.764 2.800 0 50 DFAA CC(C)n1cc([C@H]2OCC[C@@H]2NCc2ccc(CO)cc2)cn1 886094912 HIAUFUOUWZJMTP-ZWKOTPCHSA-N 315.417 2.576 0 50 DFAA COCc1ccccc1CNC(=O)[C@H]1CCCO[C@@H]1C(C)C 886056942 XSMYXGGKLFDELF-DLBZAZTESA-N 305.418 2.900 0 50 DFAA O=C([C@H]1CCc2cccc(O)c21)N1C[C@@H](F)C[C@H]1C(F)(F)F 1775247465 JSGNRBZUZINANE-NHCYSSNCSA-N 317.282 2.923 0 50 DFAA NCC12CC(CN3CCC[C@@H](C[C@H](N)C4CCCC4)C3)(C1)C2 2325761498 DDZZFYBLSFCULY-FLODPWGTSA-N 305.510 2.735 0 50 DFAA CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 345708 ODMWLHJPRGHTAQ-INIZCTEOSA-N 313.353 2.511 0 50 DFAA NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 433668 ZNSQGMLHBXNYPC-UHFFFAOYSA-N 310.419 2.633 0 50 DFAA aggregator COC(=O)c1c[nH]c2cccc(I)c12 1436097 RLXRPTKPAIJVLC-UHFFFAOYSA-N 301.083 2.559 0 50 DFAA COc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1 2356134358 KAEGYYCEPHZPBK-UHFFFAOYSA-N 317.414 2.615 0 50 DFAA Cc1nc(N2CCC[C@@H](OCc3cccnc3)C2)nc(C)c1C 2356135147 RCAAXCYJWKVJFB-QGZVFWFLSA-N 312.417 2.982 0 50 DFAA Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 2958463 AXPGJPUPJSXSTO-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 4681231 UWWJAZUNMNLNCG-UHFFFAOYSA-N 324.424 2.963 0 50 DFAA Cc1cccc(C)c1NC(=O)CS(=O)(=O)c1ccccc1 4814571 RNJDNAIAVYKMMJ-UHFFFAOYSA-N 303.383 2.716 0 50 DFAA C[C@@H]1CCCC[C@@H]1CN1CCC([C@@H](O)c2nccn2C)CC1 221802296 FXJNKQRFNIKYOJ-DJIMGWMZSA-N 305.466 2.992 0 50 DFAA Cc1nn(C)cc1CNc1nc2ccccc2nc1N1CCCC1 225393910 PTXGZYUOGIEHRT-UHFFFAOYSA-N 322.416 2.884 0 50 DFAA CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)Nc1cccc(Cl)c1 414421315 ZBTRRDBOPATTBA-ZDUSSCGKSA-N 309.797 2.861 0 50 DFAA Cc1ccc(O)c(CN(Cc2ccccc2)C[C@H](C)CO)n1 55211731 OFQGWXAZEDRJAB-AWEZNQCLSA-N 300.402 2.726 0 50 DFAA O=C1CC[C@H](N2CCOCC2)CCN1Cc1ccc(Cl)cc1 20149171 PMNJAVJTRQDKFI-INIZCTEOSA-N 322.836 2.553 0 50 DFAA Cc1cc(C(=O)Nc2nnc(C3CC3)s2)c2c(C)noc2n1 61721475 BDUCZVNANSIAFY-UHFFFAOYSA-N 315.358 2.821 0 50 DFAA Cc1nc(CCN2CCCC2=O)n(-c2cccc3ccccc23)n1 65407952 PRLQMPHCWOHQBU-UHFFFAOYSA-N 320.396 2.894 0 50 DFAA Cc1ccc2nc([C@H]3CCCN3c3cc(CN)nc(C)n3)[nH]c2c1 67757976 KYPGVDQDTTXHRS-MRXNPFEDSA-N 322.416 2.770 0 50 DFAA Cc1ccc(C)c(-c2n[nH]cc2CN(C)[C@H](C)C(=O)N(C)C)c1 67541195 FSEPWPUHTUKCRJ-CQSZACIVSA-N 314.433 2.602 0 50 DFAA Cc1cc(-c2nc(-c3ccc(N4CCCC4=O)cc3)no2)on1 350600590 VJEXXEDLPWHOHL-UHFFFAOYSA-N 310.313 2.827 0 50 DFAA O=C(NCc1ccno1)c1ccnc(OCc2ccccc2)c1 351930231 ZERMNXJGTKTIKH-UHFFFAOYSA-N 309.325 2.579 0 50 DFAA Cn1c([C@@H]2CCCN2CCOCC2CC2)nc2c1CCCC2 328634661 MWHWDANLJKCRPU-KRWDZBQOSA-N 303.450 2.862 0 50 DFAA Cc1oc2ccccc2c1CN1CC[C@@H](N2CCOCC2)C1 121021609 HCWXZWTVSHEZQP-OAHLLOKOSA-N 300.402 2.648 0 50 DFAA C[C@@H]1COc2ccccc2N1C(=O)c1cccc(-n2ccnn2)c1 121756568 SKJFKPOWRRXISB-CYBMUJFWSA-N 320.352 2.695 0 50 DFAA CCS[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 253369716 HFULYPPGIHIJNA-CRWXNKLISA-N 305.509 2.606 0 50 DFAA O=C(CSc1ccccn1)NC[C@@H]1OCCc2ccccc21 215812526 TXYFEIQZKINXHM-HNNXBMFYSA-N 314.410 2.604 0 50 DFAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)[C@H]1CCCO1 71283618 AYDKTTRBTDJXEA-OAHLLOKOSA-N 308.341 2.742 0 50 DFAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 72133157 YDQRUNSKYDSANN-INIZCTEOSA-N 300.402 2.726 0 50 DFAA C[C@@H]1COCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 363446058 FXEJTWLGUOFCDY-HNNXBMFYSA-N 302.418 2.785 0 50 DFAA c1ccc2c(c1)CC[C@@H](NCc1nnc(C3CC3)n1C1CC1)CO2 366978448 ZDVDXGHQWYEJAY-OAHLLOKOSA-N 324.428 2.974 0 50 DFAA Cc1nc[nH]c1-c1nccn1Cc1cc(-c2cccnc2)no1 72167921 GJEPKFAEPDALMK-UHFFFAOYSA-N 306.329 2.680 0 50 DFAA CCc1nc(C2(NC(=O)c3ccnn3C(C)C)CCCC2)no1 123578238 RWOHFVBFWIEBTG-UHFFFAOYSA-N 317.393 2.609 0 50 DFAA CCc1nc(NC[C@@H](C)N(C)c2ccccc2)c2cnn(C)c2n1 72170409 FAFYYTQAMVZLJN-CYBMUJFWSA-N 324.432 2.863 0 50 DFAA Cc1cc(Cl)cc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)c1 331724558 LSDCYFVEFTYWOP-ZDUSSCGKSA-N 318.808 2.792 0 50 DFAA Brc1cnc(Br)c(Br)n1 30678100 AFFKMXRQXKBNNL-UHFFFAOYSA-N 316.778 2.764 0 50 DFAA Cn1ccc(/C=C/C(=O)N2CCC[C@]2(CO)Cc2ccccc2)c1 370517743 LUYOSJFRQQZACS-NDDJGDGRSA-N 324.424 2.635 0 50 DFAA COc1cccc(C2(C(=O)N3CCC[C@H]4OCC[C@H]43)CC2)c1 370576287 RBYFYLSKDTVWBE-HZPDHXFCSA-N 301.386 2.507 0 50 DFAA Cc1cc(C)c(C(=O)N2CCCC[C@H]2c2cccnc2)c(=O)[nH]1 215468577 SUSFIEHKSKQJMP-HNNXBMFYSA-N 311.385 2.754 0 50 DFAA CC[C@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H](CC)O1 333761893 CTFYYOFYPNHPMX-QWRGUYRKSA-N 305.403 2.721 0 50 DFAA O=C1NC(=O)[C@](c2ccccc2)(c2cccc3ccccc23)N1 71767008 XXUAKQRCRCHIEW-IBGZPJMESA-N 302.333 2.923 0 50 DFAA C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCCN2CCC[C@H]2C1 241277663 LIBUUNXEIGVVSW-GJZGRUSLSA-N 311.429 2.909 0 50 DFAA NC1CC(c2cc(N3CCC(c4cccc(O)c4)CC3)ncn2)C1 220525601 UITQURRSEFSYRC-UHFFFAOYSA-N 324.428 2.771 0 50 DFAA Cc1noc(C)c1CN1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 286319166 VSXUOAGMWKHMSH-RISCZKNCSA-N 318.377 2.514 0 50 DFAA O=C(O)c1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 263560707 BQETVAPRTIQMAC-WMZOPIPTSA-N 314.429 2.834 0 50 DFAA Cc1ccc(N(C)C(=O)c2ccc(C(=O)NC3CC3)cc2)nc1 288814870 BDSYKCIIEQYEIC-UHFFFAOYSA-N 309.369 2.559 0 50 DFAA CC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)C 82134530 SPQPSLCAZFWUJF-MRXNPFEDSA-N 303.450 2.697 0 50 DFAA CN(C(=O)OCc1ccccc1)C1CCC2(CC1)OCCO2 145619435 OTTVPCSBVAVACP-UHFFFAOYSA-N 305.374 2.941 0 50 DFAA CCCCOc1cc(F)ccc1-c1cnn([C@H](C)C(N)=O)c1 96179900 IQTRSMMHJSGTTE-LLVKDONJSA-N 305.353 2.914 0 50 DFAA CC(=O)c1cnc(N[C@@H](c2ccccc2)c2nccn2C)nc1C 95387577 FWOZJCJCTAJNIO-INIZCTEOSA-N 321.384 2.923 0 50 DFAA Cc1ccc(N2C[C@@H](C)N(CCCCCCO)CC2=O)cc1 91444642 RWHRPQNUIJRMMH-MRXNPFEDSA-N 304.434 2.585 0 50 DFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NC1(c2cc(F)cc(F)c2)CC1 252509093 YCIBMPWHDKJOMM-WBMJQRKESA-N 320.383 2.945 0 50 DFAA CC[C@H](NC(=O)c1ccn(CC)n1)c1nc2cc(C)ccc2[nH]1 299802142 XJMPSFSVVWDWES-LBPRGKRZSA-N 311.389 2.969 0 50 DFAA COc1ccccc1-c1cccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c1 952989065 QGMHPOZWQVZHRE-HZPDHXFCSA-N 315.344 2.517 0 50 DFAA O=C(Cc1cncnc1O)N[C@H]1CCCC[C@@H]1c1ccccc1 1565511883 WWWBDTSUGYHDHD-CVEARBPZSA-N 311.385 2.567 0 50 DFAA O=C(NC[C@H]1CCCOC1)c1cccc(C(F)(F)F)c1O 408522460 JLUGEQKORKNHAT-SECBINFHSA-N 303.280 2.567 0 50 DFAA COC[C@@H](NC(=O)c1cc(C)c(C(=O)O)o1)c1ccc(F)cc1 1599173158 FRRHIZRIXXUGRG-GFCCVEGCSA-N 321.304 2.543 0 50 DFAA O=C([C@@H]1[C@@H]2Cc3ccccc3[C@H]21)N1CCC(c2ncco2)CC1 627943242 DFDIYSXARSQYCV-BRWVUGGUSA-N 308.381 2.967 0 50 DFAA Cc1noc(C)c1C(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(F)c1 630259803 RAZPPLBEJDRWBE-VIFPVBQESA-N 322.292 2.535 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)C(=O)O 630307010 KOHIJANPDYPAPM-NJBDSQKTSA-N 321.339 2.924 0 50 DFAA CCOC(=O)c1cccc(NC(=O)N2CC=C(COC)CC2)c1 186163284 NJQYSKJTUGFWJR-UHFFFAOYSA-N 318.373 2.674 0 50 DFAA Cc1ccc([C@@H]2CCCCCN2C(=O)c2nccnc2N)o1 169991496 QIKAGPPRGPISBD-LBPRGKRZSA-N 300.362 2.718 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccccn3)cn2)n1 170592826 DMMDTVDNACIZLY-UHFFFAOYSA-N 321.384 2.551 0 50 DFAA CCN(CC)C(=O)[C@H](c1ccccc1)[S@@](=O)C1CCOCC1 194622912 YBOHRQKZTLWXKH-AOMKIAJQSA-N 323.458 2.524 0 50 DFAA COCCN(C(=O)c1cccc(C(=O)O)c1)[C@@H]1CC[C@H](C)C1 668300593 QZBSYHNNTZMSGQ-SWLSCSKDSA-N 305.374 2.662 0 50 DFAA C[C@H](NC(=O)Nc1cn(C)nc1C1CCCCC1)C(C)(C)O 653490828 JDYWPSSNRDXSQQ-NSHDSACASA-N 308.426 2.749 0 50 DFAA C[C@H]1CCCN(c2ccccc2OCc2nc(N(C)C)no2)C1 670854283 LICGYKLWLCFMPA-ZDUSSCGKSA-N 316.405 2.951 0 50 DFAA CO[C@H](C(=O)Nc1nncs1)c1ccccc1C(F)(F)F 1615002703 LIFJLIUYQMSYCX-VIFPVBQESA-N 317.292 2.883 0 50 DFAA CN(CCn1cc(Cl)cn1)Cc1cc(-c2cccnc2)no1 1529142170 GKTJYAHBOLPMAS-UHFFFAOYSA-N 317.780 2.719 0 50 DFAA CCCc1ccc(CN(CCN(C)C)Cc2cnc(C)[nH]2)o1 1704308896 SWCKZHIXBLGEEX-UHFFFAOYSA-N 304.438 2.827 0 50 DFAA Cc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2)c1N 11690541 DEELGBPWLIGIGT-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA Cc1cccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)n1 12314784 DCOBMCQXMZIQTG-IBGZPJMESA-N 313.445 2.615 0 50 DFAA O[C@@H]1CN(c2ccncc2F)C[C@H]1Cc1ccc2ccccc2n1 1857719720 SNMZRVGLNPYVOU-AUUYWEPGSA-N 323.371 2.809 0 50 DFAA Cc1nc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)n[nH]1 1857720854 NNXXZCBNADQCGP-CVEARBPZSA-N 300.406 2.711 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 133776354 HNGBVKDJCKUGGL-CYBMUJFWSA-N 319.792 2.819 0 50 DFAA Cc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 248811277 KOAKWZNUOKYWRB-DNVCBOLYSA-N 323.440 2.569 0 50 DFAA CC1(C)C[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)CCO1 151044561 CPBIOSWUJNLVQK-SECBINFHSA-N 320.315 2.525 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cc1C 393249859 AMBBUABPCXCRHR-QWHCGFSZSA-N 300.324 2.798 0 50 DFAA CCn1cc(CNC[C@H]2CCCc3ccc(C(=O)O)cc32)cn1 901877674 IUTFRWCQPQXLED-MRXNPFEDSA-N 313.401 2.811 0 50 DFAA OCc1ccnc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 929061084 RNKHQOJNTCOEAA-CYBMUJFWSA-N 303.333 2.795 0 50 DFAA COC(=O)c1nn(Cc2cc(OC)ccc2F)c2c1CCCC2 1875345140 SYQDJJMHURGGIL-UHFFFAOYSA-N 318.348 2.745 0 50 DFAA N[C@@H]1CN(C(=O)c2ccc(C3CCOCC3)cc2)CC12CCC2 1775961210 GSGGPMTXHITWMN-QGZVFWFLSA-N 314.429 2.534 0 50 DFAA Cc1nc([C@@H]2CN([C@H](C)c3ncc(C)o3)C[C@H]2C2CC2)n[nH]1 1775985647 COOKHVLURBEEQV-DDTOSNHZSA-N 301.394 2.596 0 50 DFAA CNC[C@@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 179020458 VDQXSHHETLTTAJ-JTQLQIEISA-N 301.217 2.604 0 50 DFAA CCCOc1ccccc1CN1CC[C@@H](O)[C@@](CO)(CCC)C1 2100537077 HYMFSKYPLFSVRH-MOPGFXCFSA-N 321.461 2.821 0 50 DFAA O=C(CNCCOc1ccccc1)N[C@H]1CCCc2ccccc21 2325719603 KQCXKLOLMXYRNR-IBGZPJMESA-N 324.424 2.849 0 50 DFAA C[C@H](Cn1ccnc1)C(=O)N[C@H](C)c1ccc2ccn(C)c2c1 2325797000 PONSPSASUWGOEX-ZIAGYGMSSA-N 310.401 2.888 0 50 DFAA O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccnn1C1CCC1 930194908 NRQXDWNHFAWJFN-OAHLLOKOSA-N 324.428 2.864 0 50 DFAA Cc1cccc(-n2ncc3c(NC[C@H]4CCCO4)ncnc32)c1 74281 XMWWCJPWYHVQHE-CQSZACIVSA-N 309.373 2.715 0 50 DFAA CC(=O)c1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 176059 GAIVRPZAJDBNSH-OAHLLOKOSA-N 310.353 2.679 0 50 DFAA CCc1nnc(NC(=O)c2ccc(Br)o2)s1 442263 NJXUWNPJFNWEEJ-UHFFFAOYSA-N 302.153 2.708 0 50 DFAA COCCNCCOc1ccc(Br)cc1Cl 3003907 ZTOGOYHZZSPTTD-UHFFFAOYSA-N 308.603 2.717 0 50 DFAA O=C(CSc1nc2ncccc2[nH]1)Nc1ccccc1F 4993271 XMQAHDADRMEXHM-UHFFFAOYSA-N 302.334 2.828 0 50 DFAA CC(C)n1cc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1 343364723 KMJJVSASRMOZBA-IAGOWNOFSA-N 303.381 2.911 0 50 DFAA CN(Cc1nnc(-c2ccccc2)o1)Cc1cccc2nonc12 65386236 QPTGTKJRQKKWDT-UHFFFAOYSA-N 321.340 2.905 0 50 DFAA Cc1nc(N2CCCC2)nc(-c2ccc(F)c(CO)c2)c1C 65526452 JFMIAKQQFHHXQD-UHFFFAOYSA-N 301.365 2.992 0 50 DFAA O=C(COc1cccc(F)c1)N1CCC[C@]2(CCCOC2)C1 352367767 QQPDJUPCKNKADH-KRWDZBQOSA-N 307.365 2.624 0 50 DFAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC1CCCC1 2876489 IXLSGWIYLXEVBX-OAHLLOKOSA-N 320.458 2.597 0 50 DFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cccc(F)c2)C[C@@H](C)O1 229518293 URONCKOVQFAPRK-CKEIUWERSA-N 320.408 2.540 0 50 DFAA Cc1cc(C(=O)N(CCO)Cc2ccc(C)s2)cc(C)n1 216219041 INKNQZOPMUACAX-UHFFFAOYSA-N 304.415 2.703 0 50 DFAA CCS[C@@H](C)C(=O)N1CCN(Cc2cccc(C)c2)CC1 72478434 WNMHBSZXJAKJCS-HNNXBMFYSA-N 306.475 2.781 0 50 DFAA Cc1nc2sccn2c1CN1CCC[C@H](Cn2ccnc2)C1 72133266 JUVVVWXLEWZIJV-AWEZNQCLSA-N 315.446 2.813 0 50 DFAA CCC[C@H](N[C@H]1CCc2nc(COC)nn2C1)C1CCCC1 449191885 KUPUHSJFHGPCHX-GJZGRUSLSA-N 306.454 2.688 0 50 DFAA O=C([C@H](O)c1ccccc1Cl)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71751618 HEBPUDRSEMMCNF-SOMVNPSHSA-N 305.805 2.878 0 50 DFAA COc1ccc(OC(F)F)c(CN2CC[C@@H](CCCO)C2)c1 449789799 IHOGIVXCWIAUBE-GFCCVEGCSA-N 315.360 2.891 0 50 DFAA O[C@@H](Cn1nnc2cc(Cl)c(Cl)cc21)C(F)(F)F 158506557 SGTWEHJXRVFFMQ-QMMMGPOBSA-N 300.067 2.661 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)s1 237990442 XFSUOSXNPRQYON-SECBINFHSA-N 322.411 2.923 0 50 DFAA CC(C)(C(=O)N1CCO[C@H](C(F)(F)F)C1)c1ccccc1 71589491 DZAIDYKIBMSPSU-LBPRGKRZSA-N 301.308 2.754 0 50 DFAA Cc1cccc([C@H](NC(=O)c2scnc2C)C(=O)O)c1C 262858979 AGEDOGAESVZKBH-LBPRGKRZSA-N 304.371 2.624 0 50 DFAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCc2nn[nH]c2C1 332584459 JEISXOLCWKWYNP-JQWIXIFHSA-N 318.808 2.783 0 50 DFAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 41096715 LWMOYRLIHFZDQO-CYBMUJFWSA-N 321.398 2.746 0 50 DFAA Cc1ccccc1C(=O)NCC(=O)NCc1ccc(C2CC2)cc1 241466052 NUDZSDRKOHJWBR-UHFFFAOYSA-N 322.408 2.919 0 50 DFAA CCC[C@H](NC(=O)c1nnc2nc(C)ccn12)c1cccs1 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CC1=CC[C@H]2CN(C(=O)c3cc(C(F)(F)F)nn3C)C[C@H]2C1 1565516842 IDFBYFDLPNVRAW-WDEREUQCSA-N 313.323 2.867 0 50 DFAA CCc1ccc2occ(C(=O)N(C)[C@@H]3CCC(=O)N(C)C3)c2c1 408518338 BKRANQZRIQLBPS-CYBMUJFWSA-N 314.385 2.688 0 50 DFAA CC(C)[C@@H](NCc1cn2cccnc2n1)[C@@H](O)c1ccccc1 408516337 JVZXGQALXKBMOA-SJORKVTESA-N 310.401 2.577 0 50 DFAA c1cc([C@H]2OCCC[C@@H]2NCc2ccc3cn[nH]c3c2)ccn1 275730156 ZTAFFELDUBUSJR-FUHWJXTLSA-N 308.385 2.968 0 50 DFAA CCC1=C(C(=O)Nc2nnc(C(F)(F)F)s2)CCCO1 189885460 UBQDIZLTKJTKCC-UHFFFAOYSA-N 307.297 2.970 0 50 DFAA CO[C@@H]1CC[C@H](NC(=O)Nc2cnc(-c3ccccc3)nc2)C1 191019575 ZQCWMPPZQSWIPV-DZGCQCFKSA-N 312.373 2.833 0 50 DFAA O=C(NCCc1ccccc1OC(F)F)N1CCSCC1 191565556 JCQCYKNZQZBJCQ-UHFFFAOYSA-N 316.373 2.589 0 50 DFAA Cc1ccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)o1 191772921 JWXKWSAANWJXID-MRXNPFEDSA-N 302.349 2.618 0 50 DFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@H](O)C1 192733695 DPMBTZKNSDMMPU-ZDUSSCGKSA-N 317.414 2.723 0 50 DFAA C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)CC(=O)N2 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COc1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)O)cc1 237186602 KYHCRYDZIMTWPT-HNNXBMFYSA-N 319.401 2.874 0 50 DFAA Cc1cc(NC(=O)CNC(C)(C)COCc2ccccc2)no1 240244163 DKKVDKZKBKNOHN-UHFFFAOYSA-N 317.389 2.507 0 50 DFAA CCNC(=O)C1(NC(=O)C[C@H](C)c2ccccc2)CCCC1 252499642 SDELEVXXJWUICN-AWEZNQCLSA-N 302.418 2.745 0 50 DFAA CO[C@H]1CC[C@@H](NC(=O)C(C)(C)COCc2ccccc2)C1 252497232 QCBXMQIXPDRJIX-CVEARBPZSA-N 305.418 2.913 0 50 DFAA COC[C@@H]1CN(Cc2nc(-c3ccsc3)oc2C)CCO1 357732126 RKZDXKZPZKHZTG-ZDUSSCGKSA-N 308.403 2.559 0 50 DFAA Cc1cccc(NC2CCN(C[C@](C)(O)C(F)(F)F)CC2)n1 366895961 KRYQZDSDCXJWEI-AWEZNQCLSA-N 317.355 2.580 0 50 DFAA FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2cn[nH]c2)no1 904091927 OTQXDFZEQVQOMR-ZYHUDNBSSA-N 318.283 2.812 0 50 DFAA CC(C)c1ccc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)cc1 904518645 NGBSRAXEHZREIP-QAPCUYQASA-N 313.401 2.738 0 50 DFAA COc1ncc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)cn1 837936722 QMXSPTUHSVYKLR-HOTGVXAUSA-N 311.385 2.894 0 50 DFAA CCc1cc(C(=O)NCCCn2ccnc2C)cc(Cl)n1 929083297 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COc1ccc([C@H]2[C@H]3COC(C)(C)CC3=NN2C(C)=O)cc1 379355 DEYWYIBQEVBCGD-HOCLYGCPSA-N 302.374 2.770 0 50 DFAA C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 221749473 QRHOOHSESHMTFI-GBIKHYSHSA-N 300.324 2.962 0 50 DFAA CC(C)CN1CCN(C/C=C/c2ccccc2)C[C@H]1CCO 105282477 AVUIDFVFVJGVBX-MBNRZODZSA-N 302.462 2.724 0 50 DFAA CCNc1ncc(CN(Cc2ccccc2)C[C@@H](C)CO)cn1 55119304 NTPVXNNYQFSKRC-OAHLLOKOSA-N 314.433 2.539 0 50 DFAA Cc1ccc(Cc2ccccn2)cc1N1C(=O)NC2(CCC2)C1=O 348655307 KEMJGTICOFICBZ-UHFFFAOYSA-N 321.380 2.960 0 50 DFAA Cc1nnc(SCC(=O)N(C)[C@@H](C)c2ccncc2)s1 67921896 CAMBEACKDKMMNQ-VIFPVBQESA-N 308.432 2.553 0 50 DFAA Cc1nnc(NC(=O)c2cc(=O)c3cccc(C)c3o2)s1 21807427 WOFCQSCRQRNDMT-UHFFFAOYSA-N 301.327 2.514 0 50 DFAA COc1cccc([C@H](C)N(C)C(=O)COc2cccnc2)c1 67712891 JWTJUNULCHJSJT-ZDUSSCGKSA-N 300.358 2.689 0 50 DFAA CC(C)[C@H](CNC(=O)c1cccn1C(C)C)c1ccnn1C 252481840 CTORHXUBDPCBIR-AWEZNQCLSA-N 302.422 2.972 0 50 DFAA Cc1nc([C@@H]2CCCN2C[C@@H](O)c2c(F)cccc2F)no1 229887161 KSFZURFKHLPAQB-QWHCGFSZSA-N 309.316 2.527 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ncnn1C 218984183 VTKVWYFMXWAUDW-GFCCVEGCSA-N 310.760 2.735 0 50 DFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2sc(C)nc2c1 219737526 MBXKAOVNGCSDPR-TZMCWYRMSA-N 320.414 2.529 0 50 DFAA C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)CCN1CCO 428453532 BJPZXJURJCNXTG-QGZVFWFLSA-N 310.441 2.852 0 50 DFAA c1ccc(C2CN(Cc3cccc(Cn4cccn4)c3)C2)nc1 72164391 XLRFQWPULKBZRE-UHFFFAOYSA-N 304.397 2.926 0 50 DFAA CC(C)n1cnc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 328586638 ODXOQOMWGZEJTJ-RHSMWYFYSA-N 316.449 2.553 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1ncccc1Br 450713770 XOEMQYUERFCGOD-RAIGVLPGSA-N 311.223 2.974 0 50 DFAA c1cc([C@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)ncn1 374704844 ZBXBGFINXQEXQJ-AWEZNQCLSA-N 324.432 2.660 0 50 DFAA CCCCN1C[C@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O 77440107 YMIBBRQLOQVKJM-SFHVURJKSA-N 317.433 2.660 0 50 DFAA C[C@H]1c2ccccc2CN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 331756367 HUEBGRNZBACJJJ-GXTWGEPZSA-N 315.417 2.672 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2n[nH]cc2Cl)CCCN1CC1CC1 71753507 WXFFMIGNKPZYKT-CQSZACIVSA-N 324.856 2.646 0 50 DFAA CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 71749341 RXFBWHBYAWGILO-UHFFFAOYSA-N 320.462 2.864 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2cccnc2)CCCN1CC1CC1 71775799 QKFBWTAFVWJWQE-QGZVFWFLSA-N 301.434 2.664 0 50 DFAA CC1=CC[C@@H]2CN(c3cncc(C(=O)N4CCCC4)n3)C[C@@H]2C1 72141991 FAFXEWTUDZDUTN-CABCVRRESA-N 312.417 2.505 0 50 DFAA C[C@@H](C(=O)N1CCC([C@@H]2C[C@H](N)CCO2)CC1)c1ccccc1 333271204 KMRIPJDTHGSFRQ-OLMNPRSZSA-N 316.445 2.535 0 50 DFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@@H](c2ccccc2F)C1 77535142 CMUFNOOYSFZREI-SNVBAGLBSA-N 320.751 2.797 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 238083223 JCYASHIJTRHFRL-LBPRGKRZSA-N 305.349 2.571 0 50 DFAA c1cc(CN2CCCCCC2)cc(OCCN2CCOCC2)c1 222877680 PCUGVLHAZAAADB-UHFFFAOYSA-N 318.461 2.774 0 50 DFAA CCOC(=O)C(C)(C)C(=O)Nc1ccc2nc(S)oc2c1 131422509 RHLJMQBVKTVCDL-UHFFFAOYSA-N 308.359 2.644 0 50 DFAA CCc1nc(C)cc(N2CCC[C@H](Oc3ncccc3F)C2)n1 287525584 AWLRJCIYJHMIFX-ZDUSSCGKSA-N 316.380 2.929 0 50 DFAA CCOc1ccccc1CN(C)c1cc(C2CC(O)C2)ncn1 223410649 AHHYQTGFHZORHF-UHFFFAOYSA-N 313.401 2.750 0 50 DFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)o1 223346177 LCGZADFOTAMOJC-DGCLKSJQSA-N 313.781 2.803 0 50 DFAA CCOC[C@H]1CCCN1C(=O)c1cccc(Cn2cccn2)c1 96133085 SXZHLLDPGIRAEE-QGZVFWFLSA-N 313.401 2.573 0 50 DFAA CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H](CN)C1 178543004 RVLXGYZAMXXZGG-PQAPVRDISA-N 302.418 2.684 0 50 DFAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)Sc1n[nH]c(-c2ccccn2)n1 334160361 BYYVHPJMKCBTFH-NHCYSSNCSA-N 315.402 2.857 0 50 DFAA Cc1cccc([C@@H](NC(=O)Cc2nnc(C)o2)c2ccccn2)c1 179359818 QVTXZGATQSDOQU-GOSISDBHSA-N 322.368 2.530 0 50 DFAA Cc1ccccc1[C@H](C(=O)NCCCc1ccncc1)N(C)C 95352299 ODNRWIJZQJAYIF-GOSISDBHSA-N 311.429 2.742 0 50 DFAA CN(C)Cc1csc(CN2CCO[C@@H](c3cccnc3)C2)c1 97766345 CPFVSBGYLBANKJ-QGZVFWFLSA-N 317.458 2.778 0 50 DFAA Cc1nc(-c2cc3ccccc3n(C)c2=O)n(CC(F)(F)F)n1 96139809 OJWBAINWDAHDTP-UHFFFAOYSA-N 322.290 2.668 0 50 DFAA COc1ccc(OCCCN2CCN3CCCC[C@H]3C2)cc1 244811476 SDLLYFAQAYTHQG-INIZCTEOSA-N 304.434 2.634 0 50 DFAA CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C(F)(F)F)c(O)n1 621045358 QSGCYCPMDRHGDY-QMMMGPOBSA-N 302.296 2.924 0 50 DFAA Cc1cnc(CN2CCN(c3ccccc3F)CC2)c(C)c1O 253536444 REILASRGWANMLJ-UHFFFAOYSA-N 315.392 2.865 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCOc1ccccc1F 299740686 BCLGUQCMNDHDFI-SNPRPXQTSA-N 307.365 2.922 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)Cc1ccccn1)CC2 299747138 CBQQPVDFGRNMLG-CYBMUJFWSA-N 312.417 2.692 0 50 DFAA CN(C)[C@H]1CCN(C(=O)c2cccc(-c3ccncc3F)c2)C1 299764957 WLYVTVHNXKWLQO-HNNXBMFYSA-N 313.376 2.664 0 50 DFAA Cc1ccccc1CC1(NC(=O)c2cc(C(C)C)nc(N)n2)CC1 299800964 WOPHPXDTYXTPMF-UHFFFAOYSA-N 324.428 2.996 0 50 DFAA Cc1nc([C@H](C)N2CCN(C)CC2)n(-c2cccc(Cl)c2)n1 823789472 UTYNYGJDJVBLJL-LBPRGKRZSA-N 319.840 2.538 0 50 DFAA Cc1ccc2c(=O)n(CC3(Cn4ccnc4C)CC3)cnc2c1 584902227 YDVWKMZUGWMHBT-UHFFFAOYSA-N 308.385 2.690 0 50 DFAA CSc1cccc(CN(CCS(C)(=O)=O)C(C)C)c1 851867114 YCZKGWVQVCLTPA-UHFFFAOYSA-N 301.477 2.664 0 50 DFAA Cn1ccc2ccc(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc21 952963552 UTUGCZOOOXUMRZ-MQMHXKEQSA-N 314.385 2.799 0 50 DFAA CCc1nsc(N2CCN(c3nc(C)c(C)s3)CC2)n1 268122254 RGCCYEKXROUWCJ-UHFFFAOYSA-N 309.464 2.500 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H]2[C@H](C)C2(F)F)n[nH]1 408223345 IFUFUKLLKPJCRR-DCAQKATOSA-N 312.364 2.883 0 50 DFAA CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(CC)c2C)c1 630106113 FMLQZPJEZSZYPS-UHFFFAOYSA-N 314.389 2.522 0 50 DFAA NC(=O)c1cccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1 275546266 MZLGQNBOXZIJOM-KRWDZBQOSA-N 324.428 2.725 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccc(OC)c(OC)c1 277759200 KFZYIQHQSAPGTL-ZIAGYGMSSA-N 307.390 2.525 0 50 DFAA NCc1cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)co1 187789939 OQIUDCCCEJFTIN-ZDUSSCGKSA-N 302.349 2.582 0 50 DFAA Cc1ncsc1C(=O)Nc1ccc2nnc(C(C)C)n2c1 189259506 QSVDPBALNZXENU-UHFFFAOYSA-N 301.375 2.870 0 50 DFAA C1=CO[C@H](CN2CCCC[C@H]2c2nnc3n2CCCC3)CC1 193854498 SUBSBFNXBNYMJO-GJZGRUSLSA-N 302.422 2.834 0 50 DFAA CCC(CC)[C@@H]1C[C@H](NC(=O)NCC2CSC2)CCO1 585137801 UJAFUWNEVRZUHK-KGLIPLIRSA-N 300.468 2.632 0 50 DFAA Cc1cc(C(F)(F)F)c(N2CCC[C@@H](c3cc[nH]n3)C2)nn1 750458514 LMIVUKMEUGDSHS-SNVBAGLBSA-N 311.311 2.911 0 50 DFAA CC(C)(Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C(C)(C)O)C1 1615549933 TYACXMZBTKYWTQ-CQSZACIVSA-N 305.418 2.580 0 50 DFAA Brc1ccc(CN2CCN(c3ccccn3)CC2)o1 239099 HLRIZBSWWKNYMX-UHFFFAOYSA-N 322.206 2.759 0 50 DFAA CC[C@H](NC1CCN(Cc2ccco2)CC1)c1ccnn1C 1506408419 YCGTWVVUJFWXEY-INIZCTEOSA-N 302.422 2.718 0 50 DFAA CCC[C@H]1CN(C(=O)NCc2ccc(OC)cc2)C[C@@H]1N(C)C 216983333 AEVPXKUGLLZCJY-RDJZCZTQSA-N 319.449 2.567 0 50 DFAA COc1ccc(C(=O)O)cc1CN(C)CCN(C)C1CCCC1 1529191687 BTEMSNSBBXEMRQ-UHFFFAOYSA-N 320.433 2.700 0 50 DFAA OC[C@@H](NCc1ccc(Br)o1)c1ccsc1 225388009 YIDZCVSFUYPOJG-SNVBAGLBSA-N 302.193 2.927 0 50 DFAA C[C@@]1(O)CCOC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 1704357076 BRKLOUHWYNMYKK-MRXNPFEDSA-N 322.380 2.754 0 50 DFAA C[C@]12C[C@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1772813720 QKFJZMVSJLIHII-MEDUHNTESA-N 307.777 2.522 0 50 DFAA C[C@]1(CCC(=O)N2CC[C@H](c3ccccc3F)C2)CCC(=O)N1 12218808 YNOQFOARWXFRJP-SCLBCKFNSA-N 318.392 2.591 0 50 DFAA CC(=O)N1CCC(N2CCC[C@@H](Nc3ccc(F)cc3)C2)CC1 12711230 HITAQBUQSSEXJI-QGZVFWFLSA-N 319.424 2.713 0 50 DFAA Nc1cc(=O)[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 16384760 FOQZOSIYDZLRDP-UHFFFAOYSA-N 302.186 2.951 0 50 DFAA O[C@H](c1cccs1)C1CCN(Cc2nc(C3CC3)no2)CC1 19146899 NHALDRMAUFHXHA-HNNXBMFYSA-N 319.430 2.954 0 50 DFAA C[C@H](NCc1cc(Cl)ccc1N1CCOCC1)c1cnc[nH]1 1857530107 WHMFFXZYMICBQS-LBPRGKRZSA-N 320.824 2.751 0 50 DFAA O=C(c1cc2ccccc2s1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857701475 QSNSYDZRJUHHNL-KWCYVHTRSA-N 317.410 2.513 0 50 DFAA CC(=O)N[C@@H]1CCN(C(=O)c2c(C)sc3ccccc23)C1 1857740874 QPMFXWZESHYZHR-GFCCVEGCSA-N 302.399 2.560 0 50 DFAA CC(C)C[C@@]1(CO)CCCN1Cc1ccn(CC(F)(F)F)n1 450835232 NMDZVONQNPRSIS-CQSZACIVSA-N 319.371 2.818 0 50 DFAA O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccsn1 451684639 JGIBXNZIBLWMID-OAHLLOKOSA-N 322.817 2.928 0 50 DFAA CCn1ccnc1[C@H]1CCCCN1c1ncnc2onc(C)c12 253394808 FAWKAXHLIZWAHM-GFCCVEGCSA-N 312.377 2.874 0 50 DFAA CN1CCC[C@]2(CO)CCN(Cc3cc4ccccc4o3)C[C@@H]12 1704304476 SHKLGOJBBAHQDR-RTBURBONSA-N 314.429 2.711 0 50 DFAA C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c(F)c2)Cc2c[nH]nc21 931464641 BKUVJUUIQZOTFZ-SECBINFHSA-N 322.771 2.760 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)C=C1CCCCC1 855762377 MCJJVXBHUFVIBP-DOTOQJQBSA-N 317.433 2.987 0 50 DFAA Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1nonc1C 873281083 XPCUJTQSTMKAFF-HNNXBMFYSA-N 300.362 2.733 0 50 DFAA O=C(O)c1cn(CC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)c2ccccc12 1875270938 OKERWERXMPBJEY-PZOITXESSA-N 324.380 2.596 0 50 DFAA Cc1ccc(CN2CC[C@H](N[C@H](C)CCCN(C)C)C2)cc1 1875366897 VFPVWKGQLYTNIA-MJGOQNOKSA-N 303.494 2.889 0 50 DFAA Cc1nc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)c2ccnc-2[nH]1 1875300533 GZOFTRWQECURSP-NSHDSACASA-N 321.384 2.979 0 50 DFAA NC(=O)c1ccc(SCCc2ccc3c(c2)OCCO3)cc1 1875356501 ORMAPFYTYKZPBV-UHFFFAOYSA-N 315.394 2.892 0 50 DFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)cc(Cl)c2)C1 886038221 JTWRXEJAAVBWPM-QWRGUYRKSA-N 324.705 2.973 0 50 DFAA Cc1nn(C)c(C)c1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890459279 SJQIYTVEVLKRAB-UHFFFAOYSA-N 323.400 2.699 0 50 DFAA CCOc1cc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)ccn1 1776914876 JVBLMEYDRHHARG-INIZCTEOSA-N 312.369 2.664 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)CCCC(=O)O 408513102 SIGGKSFLJSCKJF-NVXWUHKLSA-N 304.434 2.694 0 50 DFAA Cc1nc(CN2CCN(CC3CC(F)(F)C3)CC2)cs1 450234196 QEWKBCMSRXGFSJ-UHFFFAOYSA-N 301.406 2.614 0 50 DFAA CC(C)(C)CN(CC(=O)O)C(=O)CSCCc1ccccc1 2325756131 RWKITRGHWXTEIP-UHFFFAOYSA-N 323.458 2.922 0 50 DFAA COc1ccc(-c2cn(C[C@H]3CCCN3)nn2)c2ccccc12 2325759944 UMYNPQNGECTNHY-CYBMUJFWSA-N 308.385 2.859 0 50 DFAA Cc1ccnc(C(C)C)c1NC(=O)N1C[C@H](C)O[C@H](CCO)C1 2325794608 JZGNCDKGZXDTMU-UONOGXRCSA-N 321.421 2.517 0 50 DFAA CN1CC[C@@H](NCC2=CCCOC2)[C@@H]1c1ccc(F)c(F)c1 132730075 RAIGBJSGLFNLTQ-SJORKVTESA-N 308.372 2.646 0 50 DFAA C[C@H](O)CN(CC(c1ccccc1)c1ccccc1)C[C@@H](C)O 757432 IEGQCXSRWFQPGG-CALCHBBNSA-N 313.441 2.882 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2Nc1ncc2c(ncn2C)n1 2356167304 WMQWPNANWRBALV-AWEZNQCLSA-N 309.373 2.861 0 50 DFAA CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1 2814824 BYTSCAFCXYSGKY-SQFISAMPSA-N 312.369 2.967 0 50 DFAA CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 2835514 NQWLKJNTZNRWAR-UHFFFAOYSA-N 302.403 2.906 0 50 DFAA CC(C)OCCCNC(=O)c1ccc(Br)cc1 2855626 FWAHBQIRQORVLJ-UHFFFAOYSA-N 300.196 2.994 0 50 DFAA CCOC(=O)C(=CNc1ccc(OCC)cc1)C(=O)OCC 2948584 WQQOKAKJKDTIBY-UHFFFAOYSA-N 307.346 2.507 0 50 DFAA CCCOC(=O)COc1ccc2c(CC)cc(=O)oc2c1C 2960393 XHKKAFSYMZFJFC-UHFFFAOYSA-N 304.342 2.996 0 50 DFAA COC(=O)C1=C(C(=O)OC)C2c3ccccc3C1c1ccccc12 4536731 ITJNGTUROSCESK-UHFFFAOYSA-N 320.344 2.920 0 50 DFAA O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 4845162 SBIKBPMFFNVYKN-UHFFFAOYSA-N 318.329 2.651 0 50 DFAA CCOC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 6700328 XAIFEZHDBFOABA-UHFFFAOYSA-N 311.384 2.726 0 50 DFAA O=C(Nc1cc(F)cc(F)c1)[C@H]1CC(=O)N(C2CCCC2)C1 8234713 WDAYAYYDIGJMSE-JTQLQIEISA-N 308.328 2.694 0 50 DFAA CC(C)c1cc(NC(=O)Cn2ccnc2)n(-c2ccccc2)n1 55226714 SWSDERFCPBZVBX-UHFFFAOYSA-N 309.373 2.831 0 50 DFAA Cc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(C)n1 112667106 QHOVIKWECNWHPX-UHFFFAOYSA-N 312.417 2.754 0 50 DFAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C2 249297464 CAXIRSNFNXKEEY-IATRGZMQSA-N 314.447 2.569 0 50 DFAA Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)cc1C 26091528 ABCXFCDHJACCRR-UHFFFAOYSA-N 310.353 2.763 0 50 DFAA COc1ccc(C[C@H]2CN(Cc3cccc(C)n3)CCO2)cc1 23144711 MYLLFBJYHHAPLH-IBGZPJMESA-N 312.413 2.842 0 50 DFAA Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)c1 100621273 BQTOUUQCYNSAAK-UHFFFAOYSA-N 320.348 2.824 0 50 DFAA biogenic COc1ccc(CCCNC(=O)c2ccc(N(C)C)nc2)cc1 20449700 RAASMUSQYGJPGO-UHFFFAOYSA-N 313.401 2.519 0 50 DFAA COc1ccc(OC)c2c(C)cc(N3CCC[C@@H](CO)C3)nc12 23634703 VBQLEPHVXKVQPZ-CYBMUJFWSA-N 316.401 2.769 0 50 DFAA C[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@H](C)O1 20572485 QJKBJYWZGXGERT-QWRGUYRKSA-N 316.323 2.753 0 50 DFAA CCn1ncc(C(=O)NC[C@@H](c2sccc2C)N(C)C)c1C 65397630 APVBADPJCIAAJT-AWEZNQCLSA-N 320.462 2.614 0 50 DFAA O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc(Cl)c(F)c1 20149070 SFMVVWUXHKDWAF-ZDUSSCGKSA-N 310.756 2.597 0 50 DFAA O=c1c(CN2CCN(c3ccccn3)CC2)coc2ccccc12 22591584 IRXJOCOHIMMLEX-UHFFFAOYSA-N 321.380 2.510 0 50 DFAA Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O 22059475 RBHBOUYXUXWCNJ-WDZFZDKYSA-N 300.289 2.962 0 50 DFAA in-vitro COc1ccccc1-n1nc(CC(C)C)nc1-c1cnccn1 65374199 IXEBADOYNLUMON-UHFFFAOYSA-N 309.373 2.931 0 50 DFAA CCc1noc(C)c1C(=O)N1CC[C@](O)(c2ccccc2C)C1 67473544 CZSUDRLHKZPKBI-GOSISDBHSA-N 314.385 2.588 0 50 DFAA CN(C[C@H]1CN(Cc2ccccc2)CCO1)C(=O)OC(C)(C)C 306376173 VJOVZTLHPIJFNX-INIZCTEOSA-N 320.433 2.754 0 50 DFAA CS(=O)(=O)Nc1ccc(Oc2ccsc2C(=O)O)cc1 8857285 PTOVJJZZJIMUHT-UHFFFAOYSA-N 313.356 2.610 0 50 DFAA CN1CCC[C@@H](CCNC(=O)CC2CC(C)(C)NC(C)(C)C2)C1 67982568 SYGKHFSAHYERPE-HNNXBMFYSA-N 323.525 2.781 0 50 DFAA C[C@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)[C@@H]1c1ccccc1 120030522 GKXHSHJBBNZROH-WFASDCNBSA-N 311.389 2.768 0 50 DFAA Cc1cnn(C[C@H]2CCCCN2C[C@@H](O)c2ccccc2F)c1 229551462 CTVYGCVQOSXKAO-CRAIPNDOSA-N 317.408 2.919 0 50 DFAA CC(C)C1=NO[C@H](C(=O)N(C)Cc2ccc3ncccc3c2)C1 67674947 CKQPOFBJTJNJNP-KRWDZBQOSA-N 311.385 2.994 0 50 DFAA CC(C)N(C)c1ccc(CNC[C@H](O)c2cccc(F)c2)cn1 252486649 HNTTZORISSUVAX-KRWDZBQOSA-N 317.408 2.889 0 50 DFAA C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(O)cc1 1423396 MXARDEDVUFBRAR-NSHDSACASA-N 309.321 2.990 0 50 DFAA CCOC(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 73652734 VXGSXTNKDUKZNA-HNNXBMFYSA-N 305.374 2.988 0 50 DFAA CS(=O)(=O)Nc1ccccc1Oc1ccsc1C(=O)O 3997515 GQCTZGDKOZRNCN-UHFFFAOYSA-N 313.356 2.610 0 50 DFAA CN1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C(C)(C)C1 253395552 WDAUTKRSJPSEMW-VXGBXAGGSA-N 308.372 2.621 0 50 DFAA Cc1cccc2ncnc(N3C[C@@H](C)O[C@@]4(CCCOC4)C3)c12 253432385 YIBGDQDSAMBZGH-KDOFPFPSSA-N 313.401 2.713 0 50 DFAA CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C(N)=O)s1 171309647 FYTLSCWZAATJII-UHFFFAOYSA-N 324.352 2.788 0 50 DFAA CC(C)COc1cncc(N2CCC[C@H](c3cn[nH]c3)C2)n1 153270521 WFFYAXQQCFSJJK-ZDUSSCGKSA-N 301.394 2.619 0 50 DFAA c1cc2c(cc1CNCc1ccc3c(c1)OCCO3)OCCO2 78549274 WJYOGHXICMZTOQ-UHFFFAOYSA-N 313.353 2.519 0 50 DFAA COc1c(C)cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1C 263184525 HSARRGONFBKZHT-CABCVRRESA-N 319.401 2.771 0 50 DFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3n2)C1 379278961 PUXLLYBMBVOAIW-RISCZKNCSA-N 323.318 2.729 0 50 DFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 156450820 VBANRYOBOFSYGZ-HIFRSBDPSA-N 319.424 2.625 0 50 DFAA O=C(CC1CC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71749314 LJUNVRYFJZJQKR-DFQSSKMNSA-N 310.441 2.875 0 50 DFAA O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2cnccn2)C1 128158760 DBSDIVZNAKKHBZ-STQMWFEESA-N 309.291 2.808 0 50 DFAA COc1nccc(NC(=O)N2CCCc3ccccc3CC2)n1 333504273 KVFIOPJHDQXINV-UHFFFAOYSA-N 312.373 2.508 0 50 DFAA Cc1cccc(C)c1OCCN1CCC[C@@H]1[C@H]1COCC[C@@H]1O 337248511 IXQWEIVITXDSGB-KURKYZTESA-N 319.445 2.544 0 50 DFAA CN(C)[C@H]1Cc2ccccc2N(C(=O)CCC(F)(F)F)C1 173274375 JBKARSYTAVCULF-LBPRGKRZSA-N 300.324 2.848 0 50 DFAA CS[C@@H]1CC[C@H](NC(=O)NCCC[C@H]2CCCCO2)C1 241213427 KORVNUBEKPLNGV-BFHYXJOUSA-N 300.468 2.919 0 50 DFAA CC(C)n1cc(C(=O)N2CCC(Nc3ccccn3)CC2)cn1 77338831 QCISAPDCNMINLE-UHFFFAOYSA-N 313.405 2.576 0 50 DFAA CON1CCC(N(C)C(=O)c2csc3ccccc23)CC1 457332215 NZUFRCGPYQYMSG-UHFFFAOYSA-N 304.415 2.999 0 50 DFAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1 284772550 HIBAFEVHSBMPCG-SCTDSRPQSA-N 316.445 2.691 0 50 DFAA O=C(Cc1cccc(C(F)(F)F)c1)NCC[C@H]1CCOC1 220407197 ZYZNIBVEJIVPEE-NSHDSACASA-N 301.308 2.791 0 50 DFAA O=C(NCC[C@@H]1CCCN1)NCc1ccc(Cl)c(Cl)c1 426488027 OFLYLBCNVWIMTO-NSHDSACASA-N 316.232 2.935 0 50 DFAA CSc1ncc(Cc2ccc(OC(C)C)cc2)c(=N)n1C 334156965 RVEHQFIDQWPMOR-UHFFFAOYSA-N 303.431 2.999 0 50 DFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc3[nH]ccc3c1)CC2 426470895 SSSGZCIQCXGYBB-RYQLBKOJSA-N 300.402 2.672 0 50 DFAA CCCSc1ccccc1NC(=O)N1CC[C@H](NC(C)=O)C1 96149150 AVLFIBANEMEVKZ-ZDUSSCGKSA-N 321.446 2.931 0 50 DFAA c1c[nH]c(Cn2cc(-c3cnc(C4CCCCC4)nc3)nn2)n1 91643282 DFOJJPXMCOJBMJ-UHFFFAOYSA-N 309.377 2.554 0 50 DFAA COc1ccc(-n2ncnc2CC[C@@H]2CCCN(C)C2)cc1 91289134 YBSHLFQLQHFQKR-AWEZNQCLSA-N 300.406 2.550 0 50 DFAA O=C1CCCN1CC(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1 95507652 CDYGPLVXWPMLDJ-CQSZACIVSA-N 320.820 2.668 0 50 DFAA O=C(O)CCC(=O)NN1c2ccccc2CCc2ccccc21 22205401 YAJDWHRUGFHLQK-UHFFFAOYSA-N 310.353 2.819 0 50 DFAA biogenic CC(C)c1nc(C2CCN(c3nnc(C(F)F)o3)CC2)no1 293125408 QIQIIXZNKQPMKI-UHFFFAOYSA-N 313.308 2.898 0 50 DFAA CCOc1cccc([C@@H](C(=O)O)N(C)Cc2cc(C)no2)c1 95388844 ASVICDUWELDAEL-HNNXBMFYSA-N 304.346 2.639 0 50 DFAA COCCc1noc(CN2CC[C@@H](c3ccccc3Cl)C2)n1 244626776 FSOGXZIUMWSURS-GFCCVEGCSA-N 321.808 2.901 0 50 DFAA Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1nc(C(=O)O)cs1 181862204 ACOHTEXGRVSQIN-DTWKUNHWSA-N 322.411 2.631 0 50 DFAA O=C(C[C@H]1CCOC1)NCc1ccccc1OC(F)(F)F 351516731 ZXSQMUUZWUXJDA-SNVBAGLBSA-N 303.280 2.628 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 261507491 JDIQWDPFCQVSKR-KCJUWKMLSA-N 301.280 2.649 0 50 DFAA COCC1(C(=O)NCc2cc(-c3ccccc3F)no2)CC1 299774805 GLXSFOWBNDRRHE-UHFFFAOYSA-N 304.321 2.524 0 50 DFAA CN(C)c1cccc(C(=O)NCCCn2nccc2C2CC2)c1 299779400 NNMVIHKORGEVNT-UHFFFAOYSA-N 312.417 2.647 0 50 DFAA CC(C)(C)CCN1CCn2nc(CNc3cnccn3)cc2C1 299796273 NZQDSXJTLZFLDL-UHFFFAOYSA-N 314.437 2.537 0 50 DFAA CCCCn1nc(COC)nc1-c1cccc(OC)c1OC 822888735 IGMRICJNFRKAKZ-UHFFFAOYSA-N 305.378 2.909 0 50 DFAA CC1(C)[C@H]2CC=C(CCNC(=O)CCCn3cncn3)[C@@H]1C2 584904155 NFLRMDNVOFCZAE-GJZGRUSLSA-N 302.422 2.557 0 50 DFAA CC(=O)c1cc(CN(C)Cc2noc(C3CCC3)n2)n(C)c1 670439049 FNXUMGUVAABDSL-UHFFFAOYSA-N 302.378 2.510 0 50 DFAA CO[C@]1(C)CCCN(C(=O)NCc2nc(C)c(C)s2)CC1 408304624 ZWFKNIQXKQPSHG-OAHLLOKOSA-N 311.451 2.861 0 50 DFAA CC1(C)C[C@@H](NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCO1 408517279 FLQVFENROQCGGN-SJORKVTESA-N 316.445 2.582 0 50 DFAA O=C(CCCc1cccs1)N1CCCN(CC(F)F)CC1 165484227 DOVNDJMTMVRNLI-UHFFFAOYSA-N 316.417 2.870 0 50 DFAA O=C(c1ccon1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275587140 HDUFHYUDKCWWAW-CQSZACIVSA-N 317.414 2.521 0 50 DFAA O=C(NCc1nc2cccnc2[nH]1)c1csc2c1CCCC2 276557366 YXDKEWXLCHJZRM-UHFFFAOYSA-N 312.398 2.828 0 50 DFAA O=C(CCc1nc(-c2ncc[nH]2)no1)c1ccc(F)c(F)c1 170595441 SGKBEBYRSUNDSY-UHFFFAOYSA-N 304.256 2.553 0 50 DFAA CCc1nnc(Nc2cccc3c2OCC[C@@H]3O)nc1CC 192183636 VFDYCFRHMKLSGR-AWEZNQCLSA-N 300.362 2.556 0 50 DFAA NC1CCC2(CC1)C[C@@H]2C(=O)N1Cc2cc(F)c(F)cc2C1 1615552784 GXUKRSVEQRNTCO-UIORMTCPSA-N 306.356 2.715 0 50 DFAA Cc1nn(C)cc1C(=O)Nc1ccnn1[C@@H](C)c1ccccc1 1529120623 FVVMCFKURJZVOP-ZDUSSCGKSA-N 309.373 2.787 0 50 DFAA CC[C@@H](C)n1nc(C)cc1NC(=O)CN(C)Cc1ccncc1 1529198609 FWCXUCLRPXZECR-CQSZACIVSA-N 315.421 2.628 0 50 DFAA COc1ccc(CCN2C[C@@H](NC3CCCCC3)CC2=O)cc1 11839029 QZSWHJMGFVQZGR-KRWDZBQOSA-N 316.445 2.761 0 50 DFAA Fc1ccc(-c2cnnc(NCCN3CCCCC3)n2)cc1 12302208 NGLVZUCHUVOVEP-UHFFFAOYSA-N 301.369 2.576 0 50 DFAA Cc1ocnc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12571108 SMLHSVXCVNNUOX-CQSZACIVSA-N 317.364 2.517 0 50 DFAA Cc1c(C(=O)NCCCn2cccn2)oc2c(F)cccc12 15062412 JTPSUFVRNLIUGA-UHFFFAOYSA-N 301.321 2.897 0 50 DFAA CCOc1ccc(Nc2nn3nnnc3c3ccccc23)cc1 16577383 IYRPGKJVXTVDQT-UHFFFAOYSA-N 306.329 2.815 0 50 DFAA O=C(C1CCCCC1)N1CCN(CCc2ccccc2)CC1 16605074 PBJCEBKNZPDGLE-UHFFFAOYSA-N 300.446 2.954 0 50 DFAA O=S(=O)(N[C@H]1CCCC[C@H]1N1CCCCC1)c1ccccc1 204573 VMTJGDBWKBKRKG-DLBZAZTESA-N 322.474 2.762 0 50 DFAA CC(=O)N[C@H](CSc1ccnc2cc(Cl)ccc12)C(=O)O 232627567 ZRTZSWZQMGALDE-GFCCVEGCSA-N 324.789 2.570 0 50 DFAA O=C(c1cc(O)ccc1Cl)N1CCC(Cc2ncc[nH]2)CC1 331237372 HKQAVENFMXWBRK-UHFFFAOYSA-N 319.792 2.864 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2ccoc2C)c1 331570800 KHEYCYKQYXHANS-BBRMVZONSA-N 301.342 2.545 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)CCc3ccc(F)cc3F)C2)n1 331573658 MHZWLGPFCSJPIZ-LBPRGKRZSA-N 321.327 2.605 0 50 DFAA O=C(CCCc1c[nH]c2ccccc12)NC1(C(=O)O)CCC1 237922900 INMWVFUINWTGCY-UHFFFAOYSA-N 300.358 2.614 0 50 DFAA Cc1ccc2snc(C(=O)N(C)CCN(C)C3CC3)c2c1 347068489 LINSSFVEMAXFBS-UHFFFAOYSA-N 303.431 2.771 0 50 DFAA CCCCN1CCCC[C@H]1C(=O)NC[C@@H](c1ccco1)N(C)C 253404886 FVGNCZBRCWPFBA-HOTGVXAUSA-N 321.465 2.653 0 50 DFAA COc1ccc(CCNC(=O)c2cnc(O)c3ccccc23)cc1 253536908 OJNHARVQVHTIQH-UHFFFAOYSA-N 322.364 2.922 0 50 DFAA Cc1cc(C(=O)NCCOc2ccc(C(=O)O)cc2)c(C)s1 679095634 FGXSWFAFYSIEKE-UHFFFAOYSA-N 319.382 2.872 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)NCCc2c(C)noc2C)on1 593382062 GMZQQQYHFUUVPY-AWEZNQCLSA-N 318.377 2.677 0 50 DFAA CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)Cc1ccon1 266119217 DAPAHXSEXMCVKM-UHFFFAOYSA-N 308.403 2.938 0 50 DFAA NCC1([C@H]2CCCCN2Cc2cc(CO)ccc2F)CCC1 903813029 XRHLJMDIOBWJCG-QGZVFWFLSA-N 306.425 2.802 0 50 DFAA CCc1ccc2occ(C(=O)N[C@H]3C(=O)OCC3(C)C)c2c1 819776268 AINZPCQMUUMVRZ-AWEZNQCLSA-N 301.342 2.677 0 50 DFAA Cc1ccc(Cn2cc(C[C@](C)(O)c3cccs3)nn2)o1 849143749 ZUGFSKZKMYDZFO-HNNXBMFYSA-N 303.387 2.740 0 50 DFAA Cc1cnsc1NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 1875307920 WJQXUOUYELFASR-ZETCQYMHSA-N 304.297 2.867 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2cccc(C)c2)CC1 1875365868 LNAAMLWWHRHPRK-CQSZACIVSA-N 300.402 2.597 0 50 DFAA CC1(C)CC[C@@H](C(=O)O)N1C(=O)c1cccc2scnc12 1875318973 NQJIVOQMUKKVIG-JTQLQIEISA-N 304.371 2.764 0 50 DFAA Cc1nc([C@H](C)c2cnn(C)c2)n(-c2ccc3nc(C)[nH]c3c2)n1 1875336352 XRAXVLKMUCJEBM-SNVBAGLBSA-N 321.388 2.646 0 50 DFAA CC(C)N[C@H]1CCCN(C(=O)C(C)(C)Nc2ccccc2)C1 893798751 JLRACCHOQJVMKG-INIZCTEOSA-N 303.450 2.866 0 50 DFAA Cc1cc(CCc2nc(-c3ccc(Br)o3)no2)n[nH]1 1775993441 QUCLGJSEGJUMLS-UHFFFAOYSA-N 323.150 2.909 0 50 DFAA C[C@H]1C[C@@H](NCc2nccs2)CN(C(=O)OC(C)(C)C)C1 401715371 GYJGGVQDVKBQNG-NWDGAFQWSA-N 311.451 2.878 0 50 DFAA CCC1=NN(C(=O)CCc2ccccc2)[C@](O)(C(F)(F)F)C1 33906 XBODEDFLVBAUKT-CQSZACIVSA-N 314.307 2.868 0 50 DFAA Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 35109 BLORSXKJRJHFHX-UHFFFAOYSA-N 314.370 2.806 0 50 DFAA Cc1c(C(=O)O)cc(C2CC2)n1Cc1nc(C(C)(C)C)n[nH]1 2325759929 IXTYYQPNOCWVMI-UHFFFAOYSA-N 302.378 2.836 0 50 DFAA O=c1cc(CN2CC(F)(F)CC3(CCC3)C2)nc2ccccn12 2325784303 RFHZCUHCESVEAO-UHFFFAOYSA-N 319.355 2.706 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)C3(CCN)CCC3)cc2)c1C 2325795702 UPKVGORIHDQWHN-UHFFFAOYSA-N 312.417 2.947 0 50 DFAA CN(CCc1ccccc1)C1=CC(=O)N(Cc2ccccc2)C1=O 2325825778 BCQLXPNKARBIEU-UHFFFAOYSA-N 320.392 2.614 0 50 DFAA Cc1cn2ccc(NC(=O)CCc3cccc(CN)c3)cc2n1 2325855628 IPSGNSYROLDXRB-UHFFFAOYSA-N 308.385 2.673 0 50 DFAA N[C@@H]1Cc2ccccc2N(C(=O)c2cc3cnccc3cc2F)C1 2325857085 OQQPHCKDPPBESZ-OAHLLOKOSA-N 321.355 2.904 0 50 DFAA O=C(NCc1c[nH]ccc1=O)Nc1cccc(C(F)(F)F)c1 2325871258 FASCNDINXXAUFI-UHFFFAOYSA-N 311.263 2.715 0 50 DFAA COc1c(Cl)cccc1NC(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 110650107 LRTPRUKGWIHJDV-DUBDDPSESA-N 322.792 2.990 0 50 DFAA Cc1cccc(-n2ncc3c(NC[C@@H]4CCCO4)ncnc32)c1 74290 XMWWCJPWYHVQHE-AWEZNQCLSA-N 309.373 2.715 0 50 DFAA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc(Cl)s2)S1 89938 JGNDUWAOYZTXLC-NSHDSACASA-N 317.823 2.577 0 50 DFAA aggregator COc1ccc(O[C@H](C)C(=O)NCc2ccccc2OC)cc1 514390 GAOBEFHHSAMUJQ-CYBMUJFWSA-N 315.369 2.788 0 50 DFAA COc1cc(-c2o[nH]c(=N[C@H]3C=CCC3)c2C(=O)O)ccc1F 2356162271 FPCOHTCIZNSPTD-JTQLQIEISA-N 318.304 2.740 0 50 DFAA COC(=O)c1sccc1NC(=O)c1ccc2c(c1)OCCO2 4750178 GFAKCTMLRBIQBN-UHFFFAOYSA-N 319.338 2.558 0 50 DFAA CCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCC1 4853545 AVDGXZLXPRQBPA-UHFFFAOYSA-N 303.811 2.960 0 50 DFAA Cc1ccc(NC(=O)CNC(=O)c2ccccc2F)c(C)c1 8207675 OIAWBRYSTKLYPU-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA CCN(C[C@@H](C)O)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 341340765 OSPDFHWKBIERBC-CYBMUJFWSA-N 301.390 2.536 0 50 DFAA c1ccc2ccc(CN3CCN(c4ncccn4)CC3)c-2cc1 54960007 UVHLWXCSQLIPNR-UHFFFAOYSA-N 304.397 2.904 0 50 DFAA Cc1cncc(C(=O)N(CCN(C)C)Cc2sccc2C)c1 55369997 JFMNMSVMVDKLSX-UHFFFAOYSA-N 317.458 2.964 0 50 DFAA Cc1cc([C@@H](C(=O)O)N(Cc2nccn2C)C2CC2)ccc1F 63882232 DYJADTXKHMYHEF-INIZCTEOSA-N 317.364 2.658 0 50 DFAA C/C(=C\c1ccco1)CN1CCN(c2ccc(Cl)nn2)CC1 65436197 OBOPOFXRBFKWFO-ACCUITESSA-N 318.808 2.949 0 50 DFAA CC[C@H](NC(=O)c1cc2ncccn2n1)c1nc(C)c(C)s1 67909591 APXCLDBJANYXIQ-NSHDSACASA-N 315.402 2.684 0 50 DFAA CCN(CC1CCOCC1)c1cc([C@H]2CCCNC2)nc(C)n1 67884261 YWUUVYJVUYHYPM-INIZCTEOSA-N 318.465 2.505 0 50 DFAA c1cc(CN2CCC[C@@H](Cn3ccnc3)C2)cc(-n2cccn2)c1 67774862 CNNLEXUGTUBGNM-GOSISDBHSA-N 321.428 2.981 0 50 DFAA Cc1nc([C@@H]2CC23CCNCC3)n(-c2cccc3cccnc23)n1 67676029 GPVVWSNLEBCVHE-HNNXBMFYSA-N 319.412 2.981 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)o1 252467552 RHZJBXPQQRQPGB-CCVIYHBBSA-N 316.401 2.529 0 50 DFAA Cc1nc(O)c(C(=O)N2CCC(CC(F)(F)F)CC2)nc1C 329121549 QNWVEGYTGYCLON-UHFFFAOYSA-N 317.311 2.604 0 50 DFAA Cc1nn(C)c(N)c1C(=O)NC(C)(C)c1cccc(Cl)c1F 354889189 RYQHLYNQQWZPKL-UHFFFAOYSA-N 324.787 2.768 0 50 DFAA C[C@H]1N(C(=O)CCC(=O)OC(C)(C)C)CCC12CCOCC2 328588173 YRRYCDOFTQHXAA-CYBMUJFWSA-N 311.422 2.526 0 50 DFAA COc1ncc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cn1 71752805 HAPTXGDVFIBAIO-UHFFFAOYSA-N 324.384 2.822 0 50 DFAA CN(C)[C@H]1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 72170445 VJJZEAFTQJQKSN-IBGZPJMESA-N 312.461 2.848 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1sc(C)nc1C 77287903 LFUNJTDRVYOJKU-GFCCVEGCSA-N 310.419 2.708 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N1CCCC[C@@H]1c1ncon1 241719844 QQBVSMWPKNTGCK-LLVKDONJSA-N 302.334 2.611 0 50 DFAA Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cn(C)c3ccccc23)C1 371064003 NPSFRFJQJFMIKL-CYBMUJFWSA-N 308.385 2.840 0 50 DFAA CN1Cc2ccccc2[C@H](NC(=O)c2cc(-c3ccco3)[nH]n2)C1 371364437 NKPJIDWMVSMXCT-MRXNPFEDSA-N 322.368 2.586 0 50 DFAA O=c1[nH]nc([C@@H]2CCCN(C3CCCC3)C2)n1-c1ccccc1 71764922 NPFVWAPKXYCFHH-CQSZACIVSA-N 312.417 2.683 0 50 DFAA CCCc1ncc(CN2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)o1 333929214 YCYBIYNOUDRACN-YUTCNCBUSA-N 317.389 2.722 0 50 DFAA O=C(c1cc(C2CC2)no1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281713429 AZRLJZWNXOMNJO-DZGCQCFKSA-N 316.332 2.639 0 50 DFAA Cc1cc(C)n(-c2cccc(CN(C)Cc3nc(C)no3)c2)n1 216457908 OQCKAFVIUFXCHS-UHFFFAOYSA-N 311.389 2.813 0 50 DFAA CC[C@H](CSC)NC(=O)N[C@H]1CCO[C@H]1c1ccccc1 239351884 AAIAVCHYYZRXFK-ILXRZTDVSA-N 308.447 2.957 0 50 DFAA CCC(=O)N1CCCC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 172433910 IJGDZFKZRIKNRS-MRXNPFEDSA-N 312.413 2.856 0 50 DFAA Cc1cccc(C)c1OCCN1CCC[C@@H]1[C@H]1COCC[C@H]1O 337248512 IXQWEIVITXDSGB-KZNAEPCWSA-N 319.445 2.544 0 50 DFAA CC[C@H]1CN(C(=O)c2ccc3c(c2)nnn3C)c2ccccc2O1 172687188 DQQNVXKLDYYDIU-ZDUSSCGKSA-N 322.368 2.786 0 50 DFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOc2ccccc21 172766269 XNOCJBKEKVTPDI-LBPRGKRZSA-N 313.401 2.641 0 50 DFAA Cc1nccn1C[C@H]1CCCN1C(=O)CCc1ccccc1O 177150714 BQJLQDJFMVPGJL-MRXNPFEDSA-N 313.401 2.521 0 50 DFAA CC(C)c1nccc(C(=O)NCCCN(C)c2ccccc2)n1 426408868 ACUYQQQGSWPWMB-UHFFFAOYSA-N 312.417 2.856 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)CCN2CCCCC2)c1 223886405 MQZJCFCAUNABRN-INIZCTEOSA-N 303.450 2.655 0 50 DFAA Cn1c(=O)c(CN2CC3(CCCC3)CC2=O)cc2ccccc21 95497920 CEHRMYGWDIJLFX-UHFFFAOYSA-N 310.397 2.831 0 50 DFAA O=C1[C@H]2CC[C@H](CN(Cc3cc(F)cc(F)c3)C2)N1CC1CC1 91518702 IYKNHBBEAYNPOP-WMLDXEAASA-N 320.383 2.798 0 50 DFAA Cc1ccccc1N1CCCN(C(=O)c2sccc2N)CC1 91706654 ZGXOSBKXKXNVJX-UHFFFAOYSA-N 315.442 2.991 0 50 DFAA O=Cc1ccc(Br)cc1I 95917653 JFFYPBIPKMTEEQ-UHFFFAOYSA-N 310.916 2.866 0 50 DFAA in-vitro CCCn1nc(C)c(C(=O)N2C[C@@H](CO)c3ccccc32)c1C 293776837 BEGAZZXLZMSINB-AWEZNQCLSA-N 313.401 2.646 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2cnc(N3CCCC3)s2)C1 240517177 NWISWTKTDNOPCG-AWEZNQCLSA-N 320.506 2.802 0 50 DFAA c1ccc2c(c1)CC(N1CCCN(C[C@H]3CCCOC3)CC1)C2 243932524 BWUXRTMPSAGIHJ-QGZVFWFLSA-N 314.473 2.588 0 50 DFAA O=C(N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1)c1ccco1 243893744 ATPCGKROPLBSAL-ZSGNIPIJSA-N 307.296 2.800 0 50 DFAA O=C(Cc1ccncc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 182085085 ZMOTYACSEOEYRO-CABCVRRESA-N 316.426 2.800 0 50 DFAA CCOCCC(=O)N[C@@H](c1ccncc1)c1ccc(F)cc1 363707765 AWOSUKOLIJLCCF-QGZVFWFLSA-N 302.349 2.853 0 50 DFAA O=C(Cn1cccn1)N1CCC[C@H](c2ccc(Cl)cc2)C1 299767740 JMMUJSCSWUNSPD-AWEZNQCLSA-N 303.793 2.943 0 50 DFAA CCCSc1ccccc1NC(=O)NC[C@H]1COCCO1 299772302 XTNKFQWVKNSCJD-LBPRGKRZSA-N 310.419 2.726 0 50 DFAA CN(C)c1ccc(CC(=O)NCCCCc2ccccn2)cc1 299775778 JMWCHBNRMSKZPW-UHFFFAOYSA-N 311.429 2.829 0 50 DFAA Cc1nc(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)cs1 299759891 OMMYVWYDERFACZ-OAHLLOKOSA-N 302.399 2.674 0 50 DFAA CNC(=O)[C@]1(C)CCCN(CCCCOCc2ccccc2)C1 823813505 LGBRKJGNJCHPHO-LJQANCHMSA-N 318.461 2.832 0 50 DFAA CSc1cccc(CN(C)C(=O)NCc2snnc2C)c1 584890888 IDDXTCOAFXQGHW-UHFFFAOYSA-N 322.459 2.910 0 50 DFAA COc1cc(C(=O)N2CCc3c(Cl)cccc3C2)ccn1 584891904 IIOJQUQETGTDIM-UHFFFAOYSA-N 302.761 2.942 0 50 DFAA CCc1noc(C)c1CNc1cccc(F)c1S(C)(=O)=O 585137334 SUUVPKDFUNHTAG-UHFFFAOYSA-N 312.366 2.700 0 50 DFAA Cc1ccc(N2CCN(Cc3nnc(C)s3)[C@@H](C)C2)cc1 670436997 OTZCUECFQUUKQQ-ZDUSSCGKSA-N 302.447 2.866 0 50 DFAA CCOC(C)(C)C(=O)NCCC(=O)Nc1ccc(C)cc1C 670461020 JJSCBNJSXDQQPF-UHFFFAOYSA-N 306.406 2.563 0 50 DFAA CCN1CC[C@@H](CN(CC)C(=O)c2cccc3c2CCC3=O)C1 952978368 LBFMLJBZRRWCEN-CQSZACIVSA-N 314.429 2.619 0 50 DFAA Cc1cc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)cnc1C 952969314 BZUKRARNOFRPLY-NSHDSACASA-N 310.357 2.880 0 50 DFAA CCCCNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](CO)C1 408521623 YXKHXEWIJLUATJ-HUUCEWRRSA-N 304.434 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311.425 2.931 0 50 DFAA CCN1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 16602958 LZEILOBQNCEGGX-GFCCVEGCSA-N 310.825 2.708 0 50 DFAA O=C(COc1ccccc1)N1CCN(C[C@@H]2CC=CCC2)CC1 19373464 WATJKFLTIDTGCA-QGZVFWFLSA-N 314.429 2.566 0 50 DFAA O=C(NC1CC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857667541 LUWCJBVZEYEZST-SNVBAGLBSA-N 319.792 2.976 0 50 DFAA Cn1c(=O)c(-c2nccn2CCC(C)(C)O)cc2ccccc21 1857713703 DKGFQGRSQIHZEK-UHFFFAOYSA-N 311.385 2.563 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1F 225531236 YYPORWAWGBAJON-GXTWGEPZSA-N 305.328 2.630 0 50 DFAA CC[C@H]1CC[C@H](C(=O)NCC2CCN(CCN(C)C)CC2)CC1 249499516 HHFLXIKQKQAMRT-SAABIXHNSA-N 323.525 2.593 0 50 DFAA N[C@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2cccnc2)C1 906517725 NZEJMIHFTFEOIH-QAQDUYKDSA-N 319.412 2.514 0 50 DFAA O=C(NCc1ccc(Cn2cccn2)cc1)N1CCC[C@@H]2C[C@H]21 806426168 YNTDTJAOTQGOJS-IAGOWNOFSA-N 310.401 2.625 0 50 DFAA O=C(Nc1cnc2c(c1)COCC2)N[C@@H](c1ccccn1)C1CC1 930752270 IQMYVIIGGLNZPS-QGZVFWFLSA-N 324.384 2.822 0 50 DFAA 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CCc1nnc([C@H]2CCCN(C(=O)c3ncoc3CC)[C@H]2C)o1 952852665 NARIJCZMMONPAT-QWRGUYRKSA-N 318.377 2.591 0 50 DFAA COC(=O)[C@@H](C)[C@H](C)SCc1ccc2oc(=O)n(C)c2c1 1875272335 QGSYRAUQUJSIOH-UWVGGRQHSA-N 309.387 2.562 0 50 DFAA C[C@@]1(c2ccccc2)CN(c2ncc(Cl)c(O)n2)CCO1 1875256814 DMGZMZSQHUUOKO-HNNXBMFYSA-N 305.765 2.588 0 50 DFAA CC(C)Oc1ccc(CN(C=O)[C@H]2CCN(C)[C@@H](C)C2)cc1 1875325242 JWYRDKFSQDJFDD-RDJZCZTQSA-N 304.434 2.915 0 50 DFAA CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 887985171 DBBJJWKGCANLIC-SJCJKPOMSA-N 303.406 2.873 0 50 DFAA O[C@@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C[C@@H]1F 897385069 HJYVZPIWYIYBGP-GOEBONIOSA-N 324.359 2.601 0 50 DFAA c1ccc2c(Sc3nnnn3C[C@H]3CCCO3)ccnc2c1 2325775290 SPPCAWFMXVNZER-LLVKDONJSA-N 313.386 2.552 0 50 DFAA C[C@@H]1CNC(=O)C[C@H](N[C@H](CCc2ccccc2)C(F)F)C1 2325783657 QYOHSIQMAVDJDT-NWANDNLSSA-N 310.388 2.757 0 50 DFAA CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@H]2C(F)(F)F 2325871600 RKIYQNAEXSTBKZ-XAVMHZPKSA-N 309.284 2.647 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2ccccc2)c(OC)c1 47066 LWEXDVMYDGKJKL-UHFFFAOYSA-N 307.371 2.646 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC 127155 YHYCQZACDQTHLU-MEBBXXQBSA-N 318.373 2.665 0 50 DFAA COc1cc(CN[C@@H]2CCCC[C@H]2OC)cc(OC)c1OC 267278 CNRAIZKPBXFGHK-ZIAGYGMSSA-N 309.406 2.760 0 50 DFAA biogenic,in-vitro O=C(c1ccc(I)cc1)N1CCCC1 342782 DJEYWACQKFNBFN-UHFFFAOYSA-N 301.127 2.527 0 50 DFAA COCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 367276 HFPZJLXXLFMHRX-UHFFFAOYSA-N 315.757 2.658 0 50 DFAA CCOc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 453739 YGZMRFIWFONTMJ-UHFFFAOYSA-N 315.325 2.801 0 50 DFAA O=C(NCc1ccncc1)c1c(F)c(F)c(F)c(F)c1F 2100537 FBTGUJKTSWDXFD-UHFFFAOYSA-N 302.202 2.707 0 50 DFAA COc1ccc(S(=O)(=O)Nc2ncccc2C)c(C)c1C 2709634 CEKLFPMTHQDZJY-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA O=C(O)c1cc(Cl)c(Cl)cc1C(=O)NC[C@H]1CCCO1 4802439 TYEZCOSSDNTRIX-SSDOTTSWSA-N 318.156 2.600 0 50 DFAA COC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 4873366 PHPYLBNIROQBGU-QPJJXVBHSA-N 317.775 2.611 0 50 DFAA Cc1ccc(-c2noc(CNC(=O)Cc3ccccc3)n2)cc1 6700758 XFXHXEYORIPMCO-UHFFFAOYSA-N 307.353 2.904 0 50 DFAA CC[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1ccccc1 6702593 CWXJJHWLPMEXKW-AWEZNQCLSA-N 309.431 2.642 0 50 DFAA Cc1nc(N(C)CCN2CCCC[C@@H]2C)c2nc(C)oc2n1 55269573 PMTLFRRVPBAOJN-NSHDSACASA-N 303.410 2.545 0 50 DFAA Cc1nc(N(C)CCCc2c(C)n[nH]c2C)c2nc(C)oc2n1 55036593 UOQNLRDRYLHOJS-UHFFFAOYSA-N 314.393 2.644 0 50 DFAA CON(CC1CCOCC1)C(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1 225775685 DTYNPUZPOGLTNZ-OFQRWUPVSA-N 313.438 2.787 0 50 DFAA CCCCN1C(=O)[C@@H](NC(C)=O)c2c(Cl)ccc(OC)c21 101407998 FJBRNYKHHAWDCU-ZDUSSCGKSA-N 310.781 2.673 0 50 DFAA Cc1ccc(-c2nc(CN(C)Cc3nonc3C)c(C)o2)o1 20149577 BFBMHDCYNADWCX-UHFFFAOYSA-N 302.334 2.875 0 50 DFAA Cc1ccc(C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 344237339 FMTXYRIXNFKUBE-ROUUACIJSA-N 324.428 2.550 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)NCCc2ccccc2OC)C1 67530098 AEJJXDZKIQOUIB-MRXNPFEDSA-N 320.433 2.838 0 50 DFAA O=C(O)CN(Cc1ccccc1)C(=O)c1ccc2c(n1)CCCC2 431461422 AJCHNAJGQAJBRW-UHFFFAOYSA-N 324.380 2.687 0 50 DFAA Oc1ccc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc1 38297739 KVOJCVOWFLHQIV-UHFFFAOYSA-N 313.332 2.911 0 50 DFAA CC(C)(CO)N(Cc1ccc(Cl)nc1)Cc1ccccn1 67674822 XIJQEQIWTINSJM-UHFFFAOYSA-N 305.809 2.903 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCOC[C@H]1CCCO1 252517376 HEAMLHVOGIYTND-QKPAOTATSA-N 310.438 2.545 0 50 DFAA O=C(OCCc1c[nH]nc1C(F)(F)F)[C@@H]1[C@H]2CCCC[C@H]21 252515501 KNCWKRYDFUSMJT-URLYPYJESA-N 302.296 2.950 0 50 DFAA CN1C[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CCC1=O 328596887 BFXLNLYVEXVPFX-GFCCVEGCSA-N 316.323 2.638 0 50 DFAA O=C(CCCc1cn[nH]c1)N1CC[C@H](c2ccccc2F)C1 77407886 JIAFMXARFIJAKG-AWEZNQCLSA-N 301.365 2.888 0 50 DFAA Cc1ccccc1CC[C@H]1CCCN(C(=O)C(=O)NC(C)C)C1 71524674 IODVJHJKQBSDBQ-MRXNPFEDSA-N 316.445 2.691 0 50 DFAA CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NC[C@@H]1CC[C@@H](O)C1 230287011 CKLJBLFWPKUXEF-OIISXLGYSA-N 322.424 2.853 0 50 DFAA CN(Cc1sc2ccccc2c1Cl)C[C@@]1(O)CCNC1 77453811 WPGJQVPYUKBPOY-OAHLLOKOSA-N 310.850 2.711 0 50 DFAA COC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1 12588300 YALWLUKKDUUNLW-HNNXBMFYSA-N 319.380 2.800 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@@H](C)N1 153918030 GBCAVKNXCTWTGZ-PHIMTYICSA-N 303.793 2.711 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1CCC(OC[C@H]2CCCO2)CC1 375071359 SWFUAGPZWOYCAW-OAHLLOKOSA-N 318.417 2.692 0 50 DFAA C[C@@](O)(CNC(=O)c1cncc2ccccc12)c1cccs1 156505771 ZKDGOOHVLSBIRC-QGZVFWFLSA-N 312.394 2.934 0 50 DFAA COc1cccc(SCC(=O)N[C@H](C)Cc2ccccn2)c1 219085096 RLYWVEUEBAXJLB-CYBMUJFWSA-N 316.426 2.930 0 50 DFAA COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(CO)c2)o1 370294957 AWHVZRIDRWCTNA-INIZCTEOSA-N 315.369 2.896 0 50 DFAA CN(C)C[C@H]1CCCCN1C(=O)c1cncc(-c2ccccn2)c1 371646285 OEPHLYKVKNBGTD-QGZVFWFLSA-N 324.428 2.700 0 50 DFAA CC[C@@H](NC(=O)CSc1ncccn1)c1ncccc1C 218789885 LKAILQIXRHMGLL-GFCCVEGCSA-N 302.403 2.540 0 50 DFAA Cc1ccc([C@@H](C)NCc2cnc(N3CCOCC3)s2)o1 237473480 LMZIXZFBGVLOJN-GFCCVEGCSA-N 307.419 2.732 0 50 DFAA C[C@H](Cn1cccn1)NC(=O)Cc1c(F)ccc(Cl)c1F 220500915 XGRVPQVBDHKZQG-SECBINFHSA-N 313.735 2.562 0 50 DFAA COc1cccc(CN2CCC[C@H](c3nccn3C)C2)c1F 241213366 KOIJAPOKBMVPAN-AWEZNQCLSA-N 303.381 2.947 0 50 DFAA CCS(=O)(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 17052619 QCUSSCVPTXTMGK-UHFFFAOYSA-N 313.810 2.655 0 50 DFAA Cc1nc(CN2CCC(CN[C@@H](C)c3ncc[nH]3)CC2)oc1C 286028051 KBKYWWXAGRYUOI-ZDUSSCGKSA-N 317.437 2.577 0 50 DFAA Fc1ccccc1OC1CN([C@H]2CCOC3(CCOCC3)C2)C1 82109133 SYIFJBXBRDGWQY-AWEZNQCLSA-N 321.392 2.617 0 50 DFAA O=C(NC1CC1)[C@H](NC[C@H]1CCCSC1)c1ccc(F)cc1 287353829 XRHWHLRTTLHQNP-MLGOLLRUSA-N 322.449 2.878 0 50 DFAA O=C(N1CCC[C@]2(CCNC2)C1)C1(c2cccc(F)c2)CCC1 289249586 NLFGBLVDRZNLLW-GOSISDBHSA-N 316.420 2.850 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)CCc1cccnc1 223208791 PWFHDXAYHMXWKX-CYBMUJFWSA-N 301.415 2.973 0 50 DFAA COCc1cccc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)c1 177484027 XUIGQHRAQJLSMC-HNNXBMFYSA-N 311.337 2.662 0 50 DFAA O=C(c1ccccn1)N1CCC(c2nccn2CC2CC2)CC1 82147558 LNFVPKFPXKESDQ-UHFFFAOYSA-N 310.401 2.708 0 50 DFAA Cn1nc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c2ccccc21 426407505 HVWBDYZDSMQXLD-ZDUSSCGKSA-N 313.401 2.795 0 50 DFAA Cc1cc(C)nc(S[C@H](C)c2nc(-c3cccnn3)no2)n1 92002433 IIFPWWGQKWYTFT-SNVBAGLBSA-N 314.374 2.787 0 50 DFAA O=C(c1ccncc1Cl)N1CC[C@H](n2cc(Cl)cn2)C1 290669859 JEQRTPZOCLHNTJ-JTQLQIEISA-N 311.172 2.672 0 50 DFAA C[C@@H]1OCCN(C(=O)NCCOc2cccc(Cl)c2)[C@H]1C 178511870 OXBCFRMCBIBUMN-RYUDHWBXSA-N 312.797 2.538 0 50 DFAA CNC[C@H]1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 178985206 BNCJIQXGOGZQOU-LLVKDONJSA-N 303.793 2.570 0 50 DFAA Cc1cc(N2CC[C@H](Sc3cc(F)ccc3F)C2=O)n(C)n1 266257687 STKVOTGXYUOJOX-LBPRGKRZSA-N 323.368 2.904 0 50 DFAA O=C(NCCCc1ccc(Cl)cc1)[C@H]1CC[C@@H](C(=O)O)C1 97413343 KEAYLSJFDWKRDH-QWHCGFSZSA-N 309.793 2.890 0 50 DFAA Cc1ccc2c(C)c(C(=O)NCCn3nc(C)nc3C)oc2c1 91254823 UILAAZOEZSJFET-UHFFFAOYSA-N 312.373 2.688 0 50 DFAA Cc1c(CC(N)=O)c2c(n1CCCc1ccccc1)CCCC2=O 95518759 KFLUCLASXVXXQT-UHFFFAOYSA-N 324.424 2.976 0 50 DFAA Cc1cc(C)c2c(N3CCC[C@@]4(CCN(C)C4)C3)ncnc2n1 95378775 WDFZORVIFVLNMU-SFHVURJKSA-N 311.433 2.564 0 50 DFAA CN(Cc1cccnc1)c1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 244678964 INDNFTCDKJLCJI-SHTZXODSSA-N 309.417 2.590 0 50 DFAA CCOC[C@@H]1CCCN1Cc1cc2ccccc2n(C)c1=O 243914725 BJZZQPQJWGGKCC-INIZCTEOSA-N 300.402 2.539 0 50 DFAA O=C(c1ccnc(Cl)c1)N1CCC2(CCC(O)CC2)CC1 295575197 NVZGLYQEALBWSD-UHFFFAOYSA-N 308.809 2.892 0 50 DFAA O=C(O)[C@@H]1CC(=O)N(Cc2cccs2)[C@@H]1c1ccccc1 601014523 NITBULCGQQKAOW-UKRRQHHQSA-N 301.367 2.923 0 50 DFAA Cc1nc(C)c(C(=O)NCCOc2cccc3cccnc23)o1 825268492 JEDOSXRPFBNDGP-UHFFFAOYSA-N 311.341 2.648 0 50 DFAA CCc1cc(NCc2nnc3ccc(Cl)cn23)nc(C)n1 874434995 IPOMUPKCLKUPMW-UHFFFAOYSA-N 302.769 2.656 0 50 DFAA CN[C@H]1CCCN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)C1 132992033 PQMLIDZODJWWTL-JTQLQIEISA-N 317.216 2.826 0 50 DFAA CC1=C(C(=O)N2CCCC[C@H]2CCc2ccccn2)OCCO1 952973237 YPKFGDAPIZFULR-INIZCTEOSA-N 316.401 2.674 0 50 DFAA C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cccs1 170047894 UUSKYAJEKMXRQN-AAEUAGOBSA-N 303.383 2.664 0 50 DFAA C[C@H]1C[C@H](CC(=O)N2CCN(CC(C)(C)O)CC2)CC(C)(C)C1 170622053 TXAPSWXYABNRAE-JKSUJKDBSA-N 324.509 2.754 0 50 DFAA C[C@@H]1C(=O)NCCCN1Cc1csc(-c2ccsc2)n1 189086242 DBGJVXHYEVDTDT-SNVBAGLBSA-N 307.444 2.582 0 50 DFAA COc1ccnc(C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)c1 191416335 PSQLGOQZABNJBN-NSHDSACASA-N 314.341 2.606 0 50 DFAA COc1ccnc(N(C)C(=O)Cc2cccc(C(F)F)c2)n1 653699859 XBYQMUIFWCHJMP-UHFFFAOYSA-N 307.300 2.628 0 50 DFAA Cc1nc([C@H](NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C)O)cs1 585126661 FMPORWJHISTMOF-BYIGHTSFSA-N 308.447 2.816 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccc(C(F)F)cc1F 655544844 TZNMUSBQQVELLC-HLUHBDAQSA-N 313.275 2.841 0 50 DFAA CSc1ccccc1C(=O)Nc1nnc(CCN(C)C)s1 1529120204 WRAOZBJKUKVRDL-UHFFFAOYSA-N 322.459 2.616 0 50 DFAA CCc1ccccc1CN1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 1529120809 LSSQRSKPUXLXAY-MJGOQNOKSA-N 316.445 2.620 0 50 DFAA O=C(O)[C@H]1CCCN1Cc1ccc(Br)c(F)c1 161947153 XFWSJTCRSDDLEE-LLVKDONJSA-N 302.143 2.637 0 50 DFAA COc1nc(N[C@H](CCN(C)C)c2ccccc2)ncc1F 1772702536 TUENQLWBUUEKQN-CQSZACIVSA-N 304.369 2.729 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775978041 LEXVNKSWDUZCJK-INIZCTEOSA-N 318.808 2.522 0 50 DFAA CC(=O)NC[C@H]1CCC2(CCN(CC3CCCCC3)CC2)O1 12128668 OJFFSXYVDBISIS-QGZVFWFLSA-N 308.466 2.716 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C)C3)CC2=O)c(C)c1 15465428 WGQMLAMPWALGBL-GOEBONIOSA-N 314.429 2.915 0 50 DFAA COCCOCCN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857726560 XCHORGMLUHJALO-ZWKOTPCHSA-N 305.418 2.502 0 50 DFAA C[C@@H]1N(C(=O)Nc2ccccc2F)CCC[C@@]12CCCNC2=O 1875244855 XIQPPIANWUPINJ-SJCJKPOMSA-N 319.380 2.738 0 50 DFAA O=C(C1CC(F)(F)C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 674686574 VJTNMWMUJFSGBV-JTQLQIEISA-N 311.332 2.698 0 50 DFAA Cc1cc(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)ccc1Cl 263117538 CCJRDUJLTVANCR-MFKMUULPSA-N 324.808 2.901 0 50 DFAA COCCC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 264606431 LYRPHPDXTHNXEI-INIZCTEOSA-N 311.809 2.649 0 50 DFAA CNC(=O)c1ccc(Cl)c(NCc2cn(C)nc2C2CC2)c1 902182663 AFCFVQDRHMTGOC-UHFFFAOYSA-N 318.808 2.923 0 50 DFAA Clc1cccc(-c2noc(CN3CCC[C@]34CCNC4)n2)c1 903863973 FIPPIWFIRGOITD-MRXNPFEDSA-N 318.808 2.718 0 50 DFAA Cc1c([C@H](C)NS(=O)(=O)Cc2ccno2)oc2ccccc12 1208490479 VAHLNKMVMDHSQX-NSHDSACASA-N 320.370 2.910 0 50 DFAA CON(Cc1ccccc1)C(=O)C[C@@H]1COc2ccccc2O1 828085745 BZUKIKPFKFTZGB-OAHLLOKOSA-N 313.353 2.807 0 50 DFAA Cn1nc(C(=O)N[C@H](c2cccnc2)C2CC2)cc1C(F)F 935117938 LUSSWYJZWJLFPF-ZDUSSCGKSA-N 306.316 2.634 0 50 DFAA Cc1nnsc1[C@@H](C)NCCc1nn(C)c2ccccc12 1875285069 BUALSNCGMLXLFQ-SNVBAGLBSA-N 301.419 2.627 0 50 DFAA C[C@H](Sc1nc(O)ncc1F)c1nnnn1C1CCCCC1 1875282010 JMBHHOIHWIZVGH-QMMMGPOBSA-N 324.385 2.666 0 50 DFAA C=CC(=O)N(Cc1ccc(=O)n(C)c1)[C@H]1CCCc2ccccc21 1875382021 NRZBFEXTHPGEQX-SFHVURJKSA-N 322.408 2.978 0 50 DFAA COCc1nccc(NCc2cc(Cl)c3c(c2)OCCO3)n1 891770088 GXVBDYNUZAVEHL-UHFFFAOYSA-N 321.764 2.660 0 50 DFAA Cc1ccc2c(c1)c1c3n2CCN(S(C)(=O)=O)[C@@H]3CCC1 105620 WFJATFKWWNOJLD-OAHLLOKOSA-N 304.415 2.602 0 50 DFAA Cc1ccc2[nH]cc(CCN3C(=O)OC(C)(C)[C@@]3(C)O)c2c1 1427414 YWJYGYMVCRYFEI-QGZVFWFLSA-N 302.374 2.958 0 50 DFAA O=C1C[C@H](n2cnc3ccccc32)C(=O)N1c1ccc(F)cc1 100144196 SWQBRIVLPVBGFH-HNNXBMFYSA-N 309.300 2.680 0 50 DFAA Cc1nn(C2CCOCC2)cc1CN[C@@H]1COc2ccccc21 2325777734 ZBFXDULHUUYVON-QGZVFWFLSA-N 313.401 2.766 0 50 DFAA O=C(NC1(c2cccc(Cl)c2)CCC1)[C@@H]1CC2(CC2)CN1 2325790581 WMHOTCQZCHYQBR-AWEZNQCLSA-N 304.821 2.978 0 50 DFAA CN1CCC[C@H](NC(=O)c2cc3cc(Cl)ccc3n2C)C1 2325879683 DCKCRPQONPCPFG-ZDUSSCGKSA-N 305.809 2.656 0 50 DFAA C[C@@H](CNC(=O)c1cccc(F)c1)NC(=O)c1cccc(F)c1 3066249 VFOQIULVNZEUKM-NSHDSACASA-N 318.323 2.513 0 50 DFAA O=C(c1cncc(Cl)c1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356163065 VXRXNZDWEMPQML-INIZCTEOSA-N 316.792 2.578 0 50 DFAA O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCCC1 3601754 HKNNSBCXSIJKOJ-GFCCVEGCSA-N 306.793 2.705 0 50 DFAA COCCNC(=O)c1ccc(OC(C)C)c(Br)c1 8722966 RSCSHYDIBREVCL-UHFFFAOYSA-N 316.195 2.613 0 50 DFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)Cc1ccncc1 55325519 QNSOLPDWQFAVGT-UHFFFAOYSA-N 322.412 2.900 0 50 DFAA CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 59744893 MGEXHBJFIMZTBR-CQSZACIVSA-N 303.406 2.581 0 50 DFAA Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)s1 9642559 YCTYFWITDUJOKZ-JTQLQIEISA-N 319.361 2.582 0 50 DFAA Cc1nsc(NC(=O)N2CCCN(C3CCCCC3)CC2)n1 55061202 WTSCQFMOXDKMBL-UHFFFAOYSA-N 323.466 2.719 0 50 DFAA COC(=O)[C@@H](NC(=O)CCn1ccc2c(C)cccc21)C(C)C 170625447 GUHSBBDIORRNDC-KRWDZBQOSA-N 316.401 2.654 0 50 DFAA COc1ccc(CN2CC[C@H](CNC(=O)C3CCC3)C2)cc1C 67741935 BJFUHNCZXZEQJT-MRXNPFEDSA-N 316.445 2.742 0 50 DFAA NNC(=S)Nc1ccc(Br)c(Cl)c1Cl 67800172 WBFLNJWNBLCRKZ-UHFFFAOYSA-N 315.023 2.916 0 50 DFAA CC[C@@H](C)Cc1nc(CC(=O)NCc2ccccc2F)no1 350290569 KKJHGIGKGMRQEW-LLVKDONJSA-N 305.353 2.656 0 50 DFAA CN1CCC(Cc2noc(CN3CCCCCCC3)n2)CC1 67491114 RUXQZUQNKMTKOR-UHFFFAOYSA-N 306.454 2.720 0 50 DFAA C[C@H](N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 253393585 QWJBRAJWLHSRDC-NWANDNLSSA-N 322.453 2.907 0 50 DFAA CCn1cc(C(=O)N(C)c2ncccc2C)c(C(F)(F)F)n1 253429465 CUNJXALSCQIHBP-UHFFFAOYSA-N 312.295 2.902 0 50 DFAA COCC[C@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 281257654 FCMUJZBHYGOKPL-CQSZACIVSA-N 322.405 2.527 0 50 DFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@]1(C)CCCCO1 72408320 GWSJUEDZHJGLIP-GOSISDBHSA-N 313.401 2.790 0 50 DFAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Cc1c[nH]c2ncccc12 367391826 ILSFDJYASXKFFH-DIFFPNOSSA-N 307.353 2.744 0 50 DFAA CCOC(=O)c1nccn1-c1ccc(OC[C@H]2CCCO2)cc1 72157670 NYVJRHVDKFIRQX-OAHLLOKOSA-N 316.357 2.607 0 50 DFAA Cc1[nH]nc(CN2CCC(Cn3ccnc3C)CC2)c1Cl 215997081 YANYUYSQMMVMMU-UHFFFAOYSA-N 307.829 2.789 0 50 DFAA COCCn1cnc2cc(-c3ccc(F)cc3)sc2c1=O 32537249 UZQWMTMHFCZWFV-UHFFFAOYSA-N 304.346 2.911 0 50 DFAA CCc1nc(C)sc1CN1CCN(CC(C)C)C(=O)[C@H]1C 72161608 CTLHJNSDABBGBZ-GFCCVEGCSA-N 309.479 2.703 0 50 DFAA COc1ccc2[nH]c(C(=O)NC[C@H]3CCCN(C)C3)c(C)c2c1 71278560 ZOMHASIFMZHXEL-CYBMUJFWSA-N 315.417 2.557 0 50 DFAA Cc1cc(C(=O)N(C)[C@@H](C)C2CC2)cc(C)c1OCC(=O)O 237506843 QIUVXKNSDBCXHP-LBPRGKRZSA-N 305.374 2.637 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2oc(C)cc2C)c1 282497817 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Cc1nc(N)cc(N2CCC[C@H](C(=O)c3sccc3C)C2)n1 95380277 IDLGYMITLOMMTI-LBPRGKRZSA-N 316.430 2.836 0 50 DFAA COC(=O)c1ccccc1CN1CCC[C@@H]1Cn1ccnc1C 180120055 OFOLJIFTIXWHDA-MRXNPFEDSA-N 313.401 2.643 0 50 DFAA Cc1ccc([C@@H](NC(=O)CN2CCCC2)c2ccncc2)cc1 244633299 GAQNGPSDVGHZHA-LJQANCHMSA-N 309.413 2.691 0 50 DFAA COc1nc(C(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)co1 625842683 UDQKROPECRWOEO-SWLSCSKDSA-N 316.357 2.594 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 299740296 YDGNZQSAOYJEFG-YODMDTAWSA-N 308.372 2.654 0 50 DFAA CCn1nc(CN[C@H](C)CC(C)(C)NC(C)=O)c2ccccc21 534651761 DFMMEXQSUCFBQD-CYBMUJFWSA-N 316.449 2.839 0 50 DFAA CC(C)SCCNC(=O)N1CC[C@@H](Oc2ccccc2)C1 534632206 QXFDMBJVVQFEMB-OAHLLOKOSA-N 308.447 2.991 0 50 DFAA CCn1cc(-c2nc(Cc3ccccc3OC)nn2CC)cn1 824821879 OKZCALDIOBLZPF-UHFFFAOYSA-N 311.389 2.781 0 50 DFAA CN(CCC(C)(C)O)C(=O)CC[C@@H]1CCCN2CCCC[C@H]12 584902220 SLQSHKORRBYHIG-JKSUJKDBSA-N 310.482 2.651 0 50 DFAA Cc1cc(C)c(CNC(=O)c2ccc(SCCO)cc2)cn1 584900096 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CCc1c(Cl)nc(C)nc1N1CC(=O)Nc2ccccc2C1 1616031096 JKKWYHDKEKSLFA-UHFFFAOYSA-N 316.792 2.960 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)N(C)Cc1ncon1 1417698058 GTVIOQZGARJYKQ-GFCCVEGCSA-N 303.362 2.621 0 50 DFAA Cc1nc(NC(=O)C(C)(C)C)ccc1I 360163 WLPJFPZGLUXQGR-UHFFFAOYSA-N 318.158 2.979 0 50 DFAA in-vitro CC[C@H](C)n1nc(C)cc1NC(=O)c1cnc(SC)nc1 1529091005 MGNLDQWWVIEXAR-JTQLQIEISA-N 305.407 2.927 0 50 DFAA Cc1cc(F)ccc1C(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704340818 MWVWTOYIJWPAHB-QGZVFWFLSA-N 321.392 2.670 0 50 DFAA CSCC[C@@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1 154742086 MQGJGAMLKVCRLT-NSHDSACASA-N 308.230 2.837 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 13632977 VXRZTFDUKZGQOT-UHFFFAOYSA-N 312.325 2.742 0 50 DFAA COc1cccc(-c2noc3c2CN(Cc2ncc[nH]2)CC3)c1 15074951 OMFVHCCGOOWLBM-UHFFFAOYSA-N 310.357 2.632 0 50 DFAA O=C(NCc1ccco1)c1nnn(-c2ccccc2)c1C1CC1 16651200 HFXSKARKKFIKHN-UHFFFAOYSA-N 308.341 2.668 0 50 DFAA O=C(N[C@H]1C(=O)Nc2ccc(F)cc21)[C@H]1CCc2ccccc2C1 19744052 KKUUKNYLGBPOGZ-SUMWQHHRSA-N 324.355 2.740 0 50 DFAA COc1ccc(CN2CCN(C(=O)Cc3ccccc3)CC2)cc1 19774086 VYALQIVZXORRNR-UHFFFAOYSA-N 324.424 2.582 0 50 DFAA C[C@@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CCCCN1 423800016 SEKXRFQCBWRSNF-IBGZPJMESA-N 309.413 2.897 0 50 DFAA Cc1ccncc1[C@H](C)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 624241679 QTCPFMSWZILTRZ-GRDNDAEWSA-N 300.406 2.932 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N[C@H]1CN(C)Cc2ccccc21 371948698 QEJAAHCDWYYTRN-HNNXBMFYSA-N 311.385 2.777 0 50 DFAA Cc1nccn1CCCNC(=O)N1CCC(C(F)(F)F)CC1 266617029 WWCPHSFEIVNEHA-UHFFFAOYSA-N 318.343 2.566 0 50 DFAA c1cnc(N2CCC(c3nnc(NC4CCCC4)o3)CC2)nc1 849159052 QUMJCHYZYOUQLZ-UHFFFAOYSA-N 314.393 2.598 0 50 DFAA Cc1cnccc1[C@@H](C)NC1CCC(CS(C)(=O)=O)CC1 1875284849 QFSZBWHLSMMNES-WLYUNCDWSA-N 310.463 2.644 0 50 DFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(-c3ccncc3)cc2)cn1 1875384336 FKTGLTXBINZPCU-JPYJTQIMSA-N 320.396 2.745 0 50 DFAA COc1ccc2c(c1)[C@@H](C)CN(S(=O)(=O)[C@@H]1CC1(C)C)CC2 1875357997 FHTMCEZWDFJANB-BLLLJJGKSA-N 323.458 2.785 0 50 DFAA O=C(Nc1ccc2nc(C3CC3)oc2c1)c1n[nH]c(C2CC2)n1 1775987693 VEYGZSNGOPFJMS-UHFFFAOYSA-N 309.329 2.953 0 50 DFAA COc1ccccc1N1CCN(C(=O)Cc2ccccc2)CC1 496851 TVIOYMPBWXQRRQ-UHFFFAOYSA-N 310.397 2.587 0 50 DFAA CO[C@H](C(=O)O)C1CCN(Cc2ccc(F)c3ccoc23)CC1 2325787903 AUXMERRSHTYOJL-INIZCTEOSA-N 321.348 2.884 0 50 DFAA Cc1cnc(CNC(=O)c2cc([C@H](C)c3ccccc3)[nH]n2)[nH]1 2325859979 SFMKSMCDQFEIFF-GFCCVEGCSA-N 309.373 2.523 0 50 DFAA Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C 297363 RQTWBPULGVBCGN-UHFFFAOYSA-N 319.382 2.511 0 50 DFAA O=C1c2cccc3cccc(c23)C(=O)N1CCCn1ccnc1 3785750 JXIMQXUZTHKDSJ-UHFFFAOYSA-N 305.337 2.723 0 50 DFAA CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 4832071 AGYSXWCRXQOZGI-CQSZACIVSA-N 319.401 2.564 0 50 DFAA CCOC(=O)[C@@H]1CCCCN1Cc1cccc(OC)c1OC 4990253 VIYLPDZNIDKOAO-AWEZNQCLSA-N 307.390 2.621 0 50 DFAA Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)(C)C)n2)n1 6700658 FPNJRHPYUCWKBW-UHFFFAOYSA-N 303.414 2.705 0 50 DFAA Cn1nccc1C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F 416053569 VMXKUHAJTUBZCV-CYBMUJFWSA-N 305.328 2.546 0 50 DFAA O=C(C1CC1)N1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1 53080820 MJBMWZXOIXPQMC-QGZVFWFLSA-N 312.413 2.609 0 50 DFAA CCCc1cc(N2CCC(N3CCSCC3)CC2)nc(C)n1 65493322 UZMLBNXYJLHOIG-UHFFFAOYSA-N 320.506 2.755 0 50 DFAA Cc1nccn1C[C@@H](C)NCc1nc2cc(Cl)ccc2[nH]1 67739513 UHLBKXPGMIMHJE-SNVBAGLBSA-N 303.797 2.900 0 50 DFAA CCCCc1nc(CN2CCC3(CCNCC3)C2)c(Cl)[nH]1 67878556 KLQYILJNDQZLCJ-UHFFFAOYSA-N 310.873 2.981 0 50 DFAA CCNC(=O)NC[C@@H]1CCN(Cc2cccc3ccccc23)C1 67447238 KMAOCIAICCIUIN-HNNXBMFYSA-N 311.429 2.981 0 50 DFAA COc1ccc(-c2nc(Cn3cnc(C)n3)c(C)o2)cc1OC 67457765 CRKXEQJJZZTOCS-UHFFFAOYSA-N 314.345 2.615 0 50 DFAA CC(C)(C)c1ccc(C(=O)N2CCC([C@@H]3CCNC3)CC2)nc1 422634924 RKFIDZUAHBVNKR-OAHLLOKOSA-N 315.461 2.841 0 50 DFAA CC(C)Cc1ncc(CNC(=O)c2cccnc2S)s1 119691358 UPZYHNAVDZGUQG-UHFFFAOYSA-N 307.444 2.955 0 50 DFAA Cc1ccc(S(=O)(=O)N2C=CC(C(F)(F)F)=NCC2)cc1 1399085 XIYQGJRDCKOKRW-UHFFFAOYSA-N 318.320 2.516 0 50 DFAA O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 1429229 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CCc1ccc(CN2CCCC[C@@H]2CCN2CCN(C)CC2)o1 216257199 YRTGDLCTPLHNGC-QGZVFWFLSA-N 319.493 2.834 0 50 DFAA C[C@@H](c1ccccc1)n1nnnc1N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 72157380 PKNQQCMMNPJWRR-BTYMGIQYSA-N 309.417 2.765 0 50 DFAA O[C@H](CN1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 253419790 CUKWYZQFCOHVPI-RTBURBONSA-N 319.445 2.770 0 50 DFAA CC(C)Cn1cncc1CNC(=O)[C@@H](O)c1cccc(Cl)c1 219053794 ULAOEIRWIGAGOP-HNNXBMFYSA-N 321.808 2.542 0 50 DFAA Cc1nc(C)c(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)s1 331592234 ODYKGXOLQQJNJQ-AWEZNQCLSA-N 321.427 2.789 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2[nH]c(C)cc2C)c1 331662126 TXAZWQNSISQIBM-HOCLYGCPSA-N 314.385 2.588 0 50 DFAA CC(C)N(Cc1ccco1)c1nnc([C@]2(C)CCCO2)n1C 453437642 XLAGYHFVRCRVOA-INIZCTEOSA-N 304.394 2.849 0 50 DFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3cc(C)on3)C2)c1 77440845 DVRNMTSVDOLCRT-LBPRGKRZSA-N 316.357 2.630 0 50 DFAA COCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 77288051 NZTYOGKVNRGKKJ-HNNXBMFYSA-N 313.401 2.738 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)CSc2ccccc2)[C@@]12CCCO2 375876296 QEIAWYAPXDJHJA-INMHGKMJSA-N 321.442 2.622 0 50 DFAA C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CNC[C@@H]2CCCO2)C1 237489433 PXKOXRLNUFFRFM-KEYYUXOJSA-N 320.408 2.504 0 50 DFAA CC1(C)CN(c2cc(NC3CC3)ncn2)C[C@@H](C(F)(F)F)O1 334042149 ORMOSRPNQIEQOH-JTQLQIEISA-N 316.327 2.597 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)CCCc2c[nH]c3ccccc23)C1 237640562 JZBBMUZWQVRIKB-SFHVURJKSA-N 314.385 2.814 0 50 DFAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2ncoc2CC)C1 77456647 HADYKGIMXIJNQX-LBPRGKRZSA-N 302.378 2.542 0 50 DFAA O=C(c1ccc2ccccc2n1)N1CCO[C@@H](C(F)(F)F)C1 72157733 ZCQBQTIQLFOHHW-CYBMUJFWSA-N 310.275 2.638 0 50 DFAA COc1ccccc1CC(=O)N[C@H]1COC2(CCCCC2)C1 223734279 ZNXUNGFFACVWMD-OAHLLOKOSA-N 303.402 2.846 0 50 DFAA CCCSCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C 82147733 PRYRSQZQUGJEBJ-AWEZNQCLSA-N 320.458 2.702 0 50 DFAA COC(=O)c1cc(-c2cc(Br)ccc2OC)n[nH]1 83189233 HWNNOPSBBRIQJE-UHFFFAOYSA-N 311.135 2.634 0 50 DFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 47977117 VMCNCZOQHKWKKZ-LLVKDONJSA-N 309.797 2.672 0 50 DFAA CCCC[C@H](NC(=O)c1cnc(O)cc1O)c1cccnc1 222769665 SDOKMHKIQXRXNT-ZDUSSCGKSA-N 301.346 2.549 0 50 DFAA CN1CCC(N2CCC[C@@H](NC(=O)C3CCCCCC3)C2)CC1 20207317 PNEUDHFGVFLXAU-QGZVFWFLSA-N 321.509 2.632 0 50 DFAA CCC(CC)CNC(=O)N1CCOc2ccc(CO)cc2C1 426399343 DIRKIWYCQPJWKR-UHFFFAOYSA-N 306.406 2.519 0 50 DFAA c1ccc2c(c1)CC(n1nc([C@@H]3CCOC3)nc1-c1cnc[nH]1)C2 97813783 GJONIHCMYPJVBC-CQSZACIVSA-N 321.384 2.512 0 50 DFAA COCCC[C@]1(CO)CCCN(Cc2nc(C)sc2C)C1 92099860 PSOQYUQQZAYNPR-MRXNPFEDSA-N 312.479 2.761 0 50 DFAA O=C(O)Cn1nccc1[C@H]1CCCN(CC2=CCCCC2)C1 426498765 UORRGPPQQQUTDX-HNNXBMFYSA-N 303.406 2.648 0 50 DFAA O=C(O)[C@@H]1CN(C2CCN(c3ccccc3)CC2)C[C@H]1C1CC1 91745172 LNZMSRVZTTVNKF-ZWKOTPCHSA-N 314.429 2.698 0 50 DFAA CN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(F)cc1)CC2 91807617 XFEGUOVDGZLFFT-UHFFFAOYSA-N 319.380 2.692 0 50 DFAA CCc1nnc(CN2CC[C@H](Oc3ccccc3Cl)C2)n1C 178972843 JMSBJQGIBSPMMH-LBPRGKRZSA-N 320.824 2.684 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)c2c[nH]nc2C2CCCCC2)[nH]n1 91468431 RUHHYVOLBNRRMG-NSHDSACASA-N 315.421 2.850 0 50 DFAA O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cc2n(n1)CCC2 295122870 XAJGZWSNTZEAJR-CQSZACIVSA-N 315.348 2.612 0 50 DFAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)c1 299788621 YQBVBRGOLYPOIE-HNNXBMFYSA-N 313.401 2.660 0 50 DFAA CCOCCc1nc(C2CC2)nn1Cc1ccc(OC)cc1 823333373 OJPIYFCODMGYNQ-UHFFFAOYSA-N 301.390 2.791 0 50 DFAA CCCc1nc(CN(C)C(=O)c2ccc(C)n2C(F)F)no1 584896047 JTBNSYFCPGQUDZ-UHFFFAOYSA-N 312.320 2.799 0 50 DFAA O=C(NCCCn1cccc1)C1(N2CCCC2)CCCCC1 952963699 HZBGSLFTOPUCRR-UHFFFAOYSA-N 303.450 2.793 0 50 DFAA CCN(CCn1cccn1)C(=O)c1ccc(-c2cnco2)cc1 952974656 DESXYIYZWWIZDB-UHFFFAOYSA-N 310.357 2.700 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3c(Cl)cccc3C2)C1 1565506480 MQGGENWGVDUXII-MNOVXSKESA-N 307.777 2.726 0 50 DFAA COCCCNC(=O)N[C@H](c1ccccc1)C1(CO)CCCC1 1467621365 AGBZYBPUZNLASQ-MRXNPFEDSA-N 320.433 2.616 0 50 DFAA COc1ccc(CN[C@H](c2nccn2C)C2CCOCC2)cc1 275181106 AURRGLCPWDYJEE-KRWDZBQOSA-N 315.417 2.686 0 50 DFAA Cc1cncc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c1 277873618 YSSZIXHFBGYWEP-UHFFFAOYSA-N 324.424 2.847 0 50 DFAA Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3C=CCC3)C2=O)cc1 170611783 GSSQFBOGVIRBLL-RDJZCZTQSA-N 312.413 2.568 0 50 DFAA C1CCC2(CC1)CC[C@H](CN1CCOCC3(CCOCC3)C1)O2 170604687 CONALUCHSIWPFQ-QGZVFWFLSA-N 323.477 2.997 0 50 DFAA CN(Cc1nc2ccccc2n1C)[C@H](C(=O)O)c1ccsc1 652413290 MLMQUPJOFFOKML-HNNXBMFYSA-N 315.398 2.893 0 50 DFAA C[C@H](CC(N)=O)Nc1nnc(-c2ccccc2)cc1C(F)(F)F 1614998084 XMGFJTYRVFHTOX-SECBINFHSA-N 324.306 2.838 0 50 DFAA O=C(O)CCC1CCN(C(=O)[C@H]2C[C@@H]2c2ccsc2)CC1 1615051605 DRJVRVLTJFPHTC-KGLIPLIRSA-N 307.415 2.955 0 50 DFAA Cc1c(C(=O)N(C)[C@H](C)C(C)(C)O)ccc2cnc(C3CC3)n12 1615537856 LRQGCJGMNOFTCI-GFCCVEGCSA-N 315.417 2.752 0 50 DFAA CCCN(Cc1cccc(OC)c1)C(=O)CCc1cn[nH]c1 1506423259 UNXZIJIMVOMQKS-UHFFFAOYSA-N 301.390 2.790 0 50 DFAA C[C@@H](O)c1nc2cc(-n3ccnc3-c3cccnc3)ccc2n1C 1772812852 PZLFIFXACYTKIO-GFCCVEGCSA-N 319.368 2.874 0 50 DFAA O=C1C[C@@H](NCCCC(F)(F)F)CN1Cc1cccc(F)c1 12021632 SYZBNEBMJSERNY-CYBMUJFWSA-N 318.314 2.859 0 50 DFAA Cc1cc(Cc2c(O)nc(S)nc2O)ccc1OC(C)C 13154841 MYZQOFDZAAKNMU-UHFFFAOYSA-N 306.387 2.863 0 50 DFAA COc1ccc(NC(=O)COc2ccc(F)cc2F)cc1OC 13327420 TZPIGUICJCCFIX-UHFFFAOYSA-N 323.295 3.000 0 50 DFAA COc1cccc2cc(C(=O)NCCCN3CCCC3)oc12 13670635 PJOBTGMDPZIDSM-UHFFFAOYSA-N 302.374 2.657 0 50 DFAA Cc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)no1 16604183 JICRYIFOHOUHFB-UHFFFAOYSA-N 319.792 2.594 0 50 DFAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCc2nocc2C1 1857725662 HRCTVXYRWBQENH-UHFFFAOYSA-N 308.341 2.572 0 50 DFAA O=C(O)C1(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 118974000 VGXQMDUXZMKXRC-JTQLQIEISA-N 314.168 2.962 0 50 DFAA CCCn1c(C)nnc1CN(CCO)[C@H](C)C1CCCCC1 225535661 RAVJTYYTWVECTO-CQSZACIVSA-N 308.470 2.760 0 50 DFAA Fc1ccc(Cc2nnc(N3CC[C@H]4CC[C@@H](C3)N4)s2)cc1 420207708 XGTAFOUXMFPROX-KGLIPLIRSA-N 318.421 2.599 0 50 DFAA NCCc1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1 324120724 SOHWOOULYITNIV-LJQANCHMSA-N 308.425 2.609 0 50 DFAA C[C@@H]1CN(C(=O)c2ccn([C@H]3CCCNC3)n2)c2ccccc21 328630646 QBTBQFBESAGJEO-KGLIPLIRSA-N 310.401 2.572 0 50 DFAA Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)O)s2)o1 237658667 RHCDYPJEFBUGAH-SNVBAGLBSA-N 321.354 2.561 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)cc1 237999396 LVFSOTNEIQZNBE-AWEZNQCLSA-N 317.366 2.660 0 50 DFAA CC(=O)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 12380153 YCFXXPQYTGCXLV-UHFFFAOYSA-N 306.321 2.983 0 50 DFAA COCCCn1c(-c2cccnc2)nnc1N(C)CCC(C)C 241326080 LZCHHVCUCKNANZ-UHFFFAOYSA-N 317.437 2.859 0 50 DFAA CSCc1cccc(CNC(=O)N[C@H]2CC[C@H](O)CC2)c1 249012615 ZTMAVMIIGDMXBP-SHTZXODSSA-N 308.447 2.652 0 50 DFAA COc1ccc(C(=O)N2CC[C@@](O)(C3CC3)C2)c2ccccc12 373352507 WQDGQBCEDFXKNP-IBGZPJMESA-N 311.381 2.835 0 50 DFAA COc1cc(CNc2ccc(C(=O)NC(C)C)cc2)sn1 399136439 AEVCQSYVHOBIRM-UHFFFAOYSA-N 305.403 2.902 0 50 DFAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cnn[nH]1 935595771 RHBNOMPCGLSTHK-MRVPVSSYSA-N 314.267 2.521 0 50 DFAA c1cnc2sc(N3CCO[C@H](c4nccs4)C3)nc2c1 1875286144 HLKCQQNJFZEFMS-JTQLQIEISA-N 304.400 2.726 0 50 DFAA CCOc1ccccc1-c1cc(C(=O)N2C[C@H]3CC[C@H]3C2)n[nH]1 1875271838 ZZXODRSXULNZBL-BETUJISGSA-N 311.385 2.957 0 50 DFAA C[C@H](Nc1ccc(N2CCC(N(C)C)CC2)cn1)c1cnc[nH]1 1875285475 OGXUCSBVZHIWNJ-ZDUSSCGKSA-N 314.437 2.508 0 50 DFAA COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)nc2O)c1 1875252311 KSHDFZVLMWMWLA-WEVVVXLNSA-N 314.341 2.765 0 50 DFAA CC(C)C(=O)c1c[nH]c(C(=O)NCC[C@H]2OCCC2(C)C)c1 1875297594 XRZDLFOJWVSASM-CQSZACIVSA-N 306.406 2.788 0 50 DFAA CN(C)C/C=C/C(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 1875377210 VXZBJCMRHIQSCC-PXTSUWAFSA-N 312.335 2.624 0 50 DFAA C[C@H]1C[C@H](C(=O)Nc2c(O)ccc(Br)c2F)CO1 1776005444 FMCBFQGXYNZWOF-BQBZGAKWSA-N 318.142 2.657 0 50 DFAA CCc1cc(-c2cc3c(cc2OC)OCO3)nc(N(C)C)n1 2100483932 SIFNTLHLLBDGNL-UHFFFAOYSA-N 301.346 2.509 0 50 DFAA c1ccc2c(C3=NO[C@]4(CCOC5(CCC5)C4)N3)nccc2c1 2325768156 ZAPXLTMESCKMIA-SFHVURJKSA-N 309.369 2.946 0 50 DFAA CC1(C)C[C@H](C(=O)O)CN1C(=O)c1cccc(-n2cccc2)c1 2325781629 PVSZHEJDBRORQQ-AWEZNQCLSA-N 312.369 2.803 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCc4nccn43)cc2)c1C 2325791601 WSUXCOSHFJJJON-MRXNPFEDSA-N 321.384 2.812 0 50 DFAA C[C@@]1(C(=O)O)CCCC[C@H]1NC(=O)c1c(F)ccc2c1OCC2 2325807808 UFRMHNBRBFZXAY-SJKOYZFVSA-N 321.348 2.524 0 50 DFAA Cc1ccccc1NC(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 202685 DAQZCHOLHGHNIE-ACJLOTCBSA-N 317.385 2.824 0 50 DFAA biogenic COc1ccc(CC(=O)NC[C@H]2OCCc3ccccc32)cc1 204266 NKGCPEFGOPNNBG-GOSISDBHSA-N 311.381 2.668 0 50 DFAA C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 322597 YJPLGJZGWAHNOQ-ZBFHGGJFSA-N 308.381 2.917 0 50 DFAA COCCN1CCC[C@@]12CCCN(c1ccc(C)cc1)C2=O 2356151313 CLHMLEMRJLRVAL-SFHVURJKSA-N 302.418 2.603 0 50 DFAA CNC(=O)N(C)c1nnc(SCc2cccc(F)c2)s1 4825343 QJYSRYZQXBZESJ-UHFFFAOYSA-N 312.395 2.745 0 50 DFAA Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)N(C)C2CC2)s1 114327626 RQPGWTLKYPSXKL-QMMMGPOBSA-N 318.389 2.870 0 50 DFAA CC(=O)c1cccc(NC(=O)c2cc3c([nH]c2=O)CC[C@H](C)C3)c1 67631142 XRNIDZDVESMAEH-NSHDSACASA-N 324.380 2.955 0 50 DFAA Cc1cc(N2Cc3ncccc3C2=O)ccc1N1CCCC1=O 65506518 VWVOKGUZHUURFW-UHFFFAOYSA-N 307.353 2.677 0 50 DFAA Cc1cc(N(C)Cc2noc(C(C)C)n2)nc(-c2cccnc2)n1 65528282 POONUDNBGMWZDJ-UHFFFAOYSA-N 324.388 2.990 0 50 DFAA CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OC[C@H]2CCCO2)cc1 248169745 QYWHZSMFHAWJMK-JJRVBVJISA-N 320.433 2.960 0 50 DFAA CC[C@@H](COC)NC(=O)CCC(=O)NC1CCCCCCC1 63847874 CALAOMQISORCNB-AWEZNQCLSA-N 312.454 2.537 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)[C@@H](C)c2nccs2)n(C)n1 65499409 YOOUBOAHLBUKBA-NSHDSACASA-N 306.435 2.908 0 50 DFAA C[C@H]1CCCCN1C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 12301206 JCCDWJMUBPMJBL-ZDUSSCGKSA-N 323.400 2.822 0 50 DFAA O=C(Nc1ccc2c[nH]nc2c1)c1ccc(OCC(F)F)nc1 120578675 XUCODNZWNFTXFF-UHFFFAOYSA-N 318.283 2.854 0 50 DFAA C[C@H](CC(=O)NC[C@H](O)c1ccncc1)Cc1cccc(F)c1 121414080 BKUXSAWUABJAQD-GUYCJALGSA-N 316.376 2.639 0 50 DFAA COc1ccc(NC(=O)c2n[nH]cc2Br)c(C)c1 6413348 NPYHMHJWZRSSJM-UHFFFAOYSA-N 310.151 2.742 0 50 DFAA Cc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccn3)C2)c(C)c1 359934383 MSFOSJYPTFJZJP-OAHLLOKOSA-N 316.426 2.877 0 50 DFAA O=C(CCCc1cn[nH]c1)N1CCO[C@H](CC2CCCCC2)C1 71776663 RMPATKUQPQINHG-QGZVFWFLSA-N 319.449 2.930 0 50 DFAA CC(C)(C)c1n[nH]c(CN2CCC(F)(c3ccccn3)CC2)n1 333674568 JPZVJZCYRHHPSS-UHFFFAOYSA-N 317.412 2.958 0 50 DFAA c1cc2c(cc1-c1noc(C[C@H]3C[C@H]4CC[C@H]3O4)n1)OCCO2 333818906 JJGNLWCWHXFBHI-JHJVBQTASA-N 314.341 2.618 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 237639422 WJTZJGHFJVXJGM-HNNXBMFYSA-N 307.777 2.695 0 50 DFAA O=C(O)c1cc(C(=O)N(CC2CCC2)CC(F)(F)F)ccn1 237976057 XMDWKHIQGXVPAC-UHFFFAOYSA-N 316.279 2.584 0 50 DFAA COc1ccccc1C(C)(C)NC(=O)c1c(C)nn(C)c1C 283454046 XAYUGSCYLYCHJX-UHFFFAOYSA-N 301.390 2.711 0 50 DFAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc2n(n1)CCC2 450631132 WMNZDUUQBMZWBK-OAHLLOKOSA-N 324.428 2.570 0 50 DFAA CCO[C@H](C)C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 241262019 LAPWXYVSKIVXDJ-LLVKDONJSA-N 317.414 2.982 0 50 DFAA CC(C)c1csc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)n1 223695941 UVWNELHCQRCGBI-OCCSQVGLSA-N 324.446 2.580 0 50 DFAA CCC[C@@H]1NC(=O)N(CN2CCC[C@H]2c2ccccc2)C1=O 241564233 OSMQXEBWCKGWID-GJZGRUSLSA-N 301.390 2.502 0 50 DFAA CCc1ccc(S(=O)(=O)NCc2nc(C)cs2)s1 48665620 ALJFJHSYPVIXMV-UHFFFAOYSA-N 302.446 2.554 0 50 DFAA COc1cc2c(cc1F)CC[C@@H]2NC(=O)Cc1c(C)n[nH]c1C 338165077 GFSBYUMRHORHDQ-HNNXBMFYSA-N 317.364 2.520 0 50 DFAA O=S(=O)(Nc1cccc(CCC(F)(F)F)c1)c1cn[nH]c1 131924042 KABCYRRVMJZOBX-UHFFFAOYSA-N 319.308 2.705 0 50 DFAA CCOc1ncc(C(=O)N2CCC[C@]3(CCOC3)C2)cc1Cl 456737183 SZNDNAIAZVFAKU-INIZCTEOSA-N 324.808 2.776 0 50 DFAA O=C(c1cccc2ccsc12)N1CCO[C@]2(CCCOC2)C1 286293358 JLEUJGHVFQMTTP-QGZVFWFLSA-N 317.410 2.923 0 50 DFAA Cc1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cccc1C(N)=O 41891714 UTUHMIJSTDFQOX-NSHDSACASA-N 316.332 2.639 0 50 DFAA COc1ccccc1[C@@H](O)CNC(=O)c1cccc2c1CCC2 194585641 PRZQFPOASGVCPH-KRWDZBQOSA-N 311.381 2.647 0 50 DFAA Cc1cccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)n1 82107628 UPONEKFWDGNOQM-UHFFFAOYSA-N 313.376 2.882 0 50 DFAA Cc1nn(C)cc1C(=O)N(Cc1ccsc1)C[C@H]1CCCO1 97413315 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CC(C)(C)c1ccccc1OCCNC(=O)N1CCC(O)CC1 264513407 NYWXHDBBPFRKIM-UHFFFAOYSA-N 320.433 2.529 0 50 DFAA CC(=O)Nc1nc(C(=O)N2C[C@@H](C)Oc3ccccc32)cs1 264747066 LQWBTHKOMXRTGL-SECBINFHSA-N 317.370 2.529 0 50 DFAA CC[C@](CNc1ncnc2c1CCC2)(C(=O)O)c1ccccc1 910469704 HGEHWFUURPRZFA-GOSISDBHSA-N 311.385 2.810 0 50 DFAA CS[C@@H](C)CCC(=O)N[C@@H](C)c1noc(C(F)(F)F)n1 910763279 YQKPKYFXKKORNS-BQBZGAKWSA-N 311.329 2.797 0 50 DFAA C=CC(=O)N(C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 858649482 YDPRGIBUWSEHJB-SFHVURJKSA-N 300.402 2.679 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C3CCCC3)C3CC3)n[nH]c21 1875393883 OOIMFYRXDMIYBP-MNOVXSKESA-N 303.406 2.979 0 50 DFAA Cc1noc(C)c1Cc1noc(-c2cccc3nc(O)[nH]c23)n1 1875324136 ITEKRVLLKJDEON-UHFFFAOYSA-N 311.301 2.514 0 50 DFAA O=C(Nc1nc(C2CCOCC2)cs1)/C(F)=C/c1cnc[nH]1 1776006045 LXSFYIUHTVRIKN-WZUFQYTHSA-N 322.365 2.709 0 50 DFAA COc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(OC)c1O 54394 AAZLLRMJUIJXKE-UHFFFAOYSA-N 320.185 2.722 0 50 DFAA COC1([C@H](C)NC(=O)N2CC(CCC(F)(F)F)C2)CCC1 2325761522 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324.311 2.655 0 50 DFAA CC1(C)[C@H](NCc2ccnc(N3CCCC3)c2)[C@H]2CCCO[C@H]21 245826407 AZRKEYBDWOKALM-KBAYOESNSA-N 315.461 2.975 0 50 DFAA CCN(Cc1cnn(C)c1)Cc1cnn(-c2cccc(C)c2)c1 67562633 XFIKAVKJFCCKAZ-UHFFFAOYSA-N 309.417 2.936 0 50 DFAA CCCN1CCN(C(=O)COc2ccc(Cl)cc2C)CC1 20472554 PXVBWNYFUCEWFD-UHFFFAOYSA-N 310.825 2.581 0 50 DFAA CCCN1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)s1 20856639 BJKQXGFNBICWFO-CYBMUJFWSA-N 308.447 2.767 0 50 DFAA CCn1c(NC(=O)[C@@H](C)Oc2cccnc2)nc2ccccc21 117583272 DZCDZRUJLMRXGQ-GFCCVEGCSA-N 310.357 2.857 0 50 DFAA CS[C@@H]1CC[C@H](NC(=O)N2CCc3ccccc3[C@H]2CO)C1 252477770 VGQNCYFNAHGELZ-SQWLQELKSA-N 320.458 2.572 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCC2(CCN2)CC1 424052495 MJFYRSZSZFWEKT-OAHLLOKOSA-N 316.445 2.933 0 50 DFAA O=C(CC1OCCCO1)N1CCC[C@@H]1/C=C/c1ccccc1 253392457 BICMKFODRJLVDR-ZNFPLGDCSA-N 301.386 2.844 0 50 DFAA c1ccc([C@H](Cn2ccnc2)n2ccnc2-c2c[nH]cn2)cc1 71638785 REAZKLHWMVWAPL-INIZCTEOSA-N 304.357 2.759 0 50 DFAA CCn1nccc1CCN1CCO[C@]2(CCc3ccccc32)C1 253419688 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DFAA Cn1cc(CCNC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cn1 378613204 WSXAPDBIWDNONS-QZEKMECESA-N 324.428 2.850 0 50 DFAA O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccnc(OC(F)F)c1 449892833 RBFDEPLEFZAHEM-UHFFFAOYSA-N 322.315 3.316 0 50 DFAA CCCc1cc(C(=O)N[C@H](C)c2cn3ccsc3n2)no1 77515715 JRDYFUZSZRPGHV-SECBINFHSA-N 304.375 2.827 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1cncc(Br)c1 450701143 FZLQTUKQVNZLBL-HZSPNIEDSA-N 311.223 2.974 0 50 DFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(O)n1 283480709 BZZDLGHFIYROGS-JTQLQIEISA-N 302.378 2.538 0 50 DFAA Cc1nnc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 285185996 VUAFVTQZNMVQJT-QMMMGPOBSA-N 301.272 2.504 0 50 DFAA CCc1ocnc1C(=O)N1CCCC[C@@H]1CCn1ccnc1C 82125389 UCMLOEADGWMLKN-CQSZACIVSA-N 316.405 2.827 0 50 DFAA O=C1CCC[C@H](CC(=O)N2CCCc3cc(Cl)cc(F)c32)N1 289051599 AIDYKUQFRXHQJO-GFCCVEGCSA-N 324.783 2.817 0 50 DFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)C1 179014066 CWIVYXCWOKPFBQ-CVEARBPZSA-N 318.461 2.954 0 50 DFAA COCC[C@]1(O)CCN(c2cccc(C(F)(F)F)n2)C[C@H]1C 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C[C@H](Cn1ccnc1)NCC1(c2ccccc2)CCN(C)CC1 584904059 ZOHJHGDKICFXMO-QGZVFWFLSA-N 312.461 2.525 0 50 DFAA CCN(Cc1ccc(SC)cc1)C(=O)NCC[C@@H](C)CO 670464763 IXHUVJJTNIZTAA-CYBMUJFWSA-N 310.463 2.959 0 50 DFAA Cc1cc2ncc(C(=O)Nc3cccnc3C3CC3)c(C)n2n1 1334053565 OEBOXXRUWCQPKX-UHFFFAOYSA-N 307.357 2.871 0 50 DFAA COc1ccc(NC(=O)NC(C)(C)[C@@H](O)C(F)(F)F)cc1F 1414391530 YFIFWGYSTJFBBM-SNVBAGLBSA-N 324.274 2.658 0 50 DFAA Cc1nc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)ccc1F 952864073 XUUKHRYMAJYVQN-ZDUSSCGKSA-N 317.364 2.769 0 50 DFAA C=Cc1ccc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)nc1 952961401 BGMVTHJKUMGCGI-HNNXBMFYSA-N 311.385 2.964 0 50 DFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)C[C@@H](c1ccccc1)c1ccco1)C2 952975238 HYNYZTDPBJCCRJ-CLWJZODNSA-N 324.424 2.997 0 50 DFAA C[C@H](CC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(F)cc1 408521803 JQQIUDOEBMDVFB-UMVBOHGHSA-N 320.408 2.727 0 50 DFAA Cc1nc(C(=O)N2CCOC[C@@]2(C)c2ccccc2)c(C)o1 408522269 GPJOIYFYCFNRTA-KRWDZBQOSA-N 300.358 2.679 0 50 DFAA CC[C@H](NC(=O)CCNC(=O)OC(C)(C)C)c1ccccn1 722638123 OEQYZOJNTPTOFY-LBPRGKRZSA-N 307.394 2.564 0 50 DFAA CCCc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)[nH]n1 190234567 GRRGXYFHRASAEL-YOEHRIQHSA-N 313.401 2.870 0 50 DFAA C[C@@H](C(=O)NCCCC(=O)O)c1ccc(Br)cc1 190524020 ZOYYDAPHWCGMBZ-SECBINFHSA-N 314.179 2.534 0 50 DFAA Cc1cccc(/C=C/C(=O)N2CCC[C@H](c3nncn3C)C2)c1 193062054 KAOJFTPJSRPMFI-FDMDGMSGSA-N 310.401 2.543 0 50 DFAA COC(=O)c1occc1[C@H]1NC(=O)c2c(Cl)cccc2N1 742443405 HFDGLOJDUPNQAF-GFCCVEGCSA-N 306.705 2.574 0 50 DFAA CCn1ccnc1[C@@H]1OCCC[C@H]1NCc1cncc(Cl)c1 1616031877 AEZPGPNARJPHMT-HUUCEWRRSA-N 320.824 2.961 0 50 DFAA COc1cccc(CCC(=O)NCc2cccn3nccc23)c1 1772815056 CUNNXGIHHQZJGB-UHFFFAOYSA-N 309.369 2.592 0 50 DFAA CN(C)c1ncccc1CNC(=O)CCCc1cccs1 12590541 YRZNFPAYQBHAFM-UHFFFAOYSA-N 303.431 2.848 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 14398813 DZJHUVREIAMDME-CYBMUJFWSA-N 310.353 2.748 0 50 DFAA Nc1cc(=O)[nH]c(SCCOc2ccc3ccccc3c2)n1 16527169 ZTPBLAHGEUKVMZ-UHFFFAOYSA-N 313.382 2.676 0 50 DFAA c1ccc(Cn2cc(CN3CCC(N4CCCC4)CC3)cn2)cc1 19217745 QBAAOPNOMNSWQN-UHFFFAOYSA-N 324.472 2.992 0 50 DFAA CN1C(=O)CC[C@H]1C(=O)Nc1cccc([C@H](F)C(F)(F)F)c1 1857532759 RCPOHCCTSREWAS-JQWIXIFHSA-N 318.270 2.819 0 50 DFAA Cc1noc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)n1 1875249963 NPICPSLFNIQNHM-CVEARBPZSA-N 301.390 2.976 0 50 DFAA COc1cc(OC)c([C@@H](C)NCCc2cn(C)cn2)cc1Cl 414144658 NDKHSGYLPNVVIL-LLVKDONJSA-N 323.824 2.984 0 50 DFAA CCOc1cccc(CC(=O)N[C@H](C)CNc2ccccc2)n1 225791396 IVJDCRMZHVEUBN-CQSZACIVSA-N 313.401 2.640 0 50 DFAA CC(C)(O)[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCCC2 123550379 BFJIPCPWSYYNIJ-KRWDZBQOSA-N 317.429 2.706 0 50 DFAA O=C(CN1CCOc2ccccc21)N[C@H]1CCOc2ccccc21 642188995 WIYOZMIODSYMLL-HNNXBMFYSA-N 324.380 2.525 0 50 DFAA Cc1cc(C)n2c(CN[C@H]3CN(C)Cc4ccccc43)cnc2n1 372974020 KVDIFONZUCEMJN-SFHVURJKSA-N 321.428 2.622 0 50 DFAA CC[C@@H](C(=O)O)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 263574505 NSISOUMDWRFTNY-DOMZBBRYSA-N 301.390 2.914 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(F)c1F 265322351 NZEOMBSKASNHKW-WQAKAFBOSA-N 309.312 2.823 0 50 DFAA Cc1nc(C(=O)NC[C@H](C)c2ccc(Br)cc2)no1 902997984 CZXCNEQTTNZHMJ-QMMMGPOBSA-N 324.178 2.674 0 50 DFAA Cc1ccc(NS(C)(=O)=O)cc1-c1cccc2c1OCC2 904791293 GVHNXXVWDPYNIF-UHFFFAOYSA-N 303.383 2.968 0 50 DFAA O=C(c1ccccc1-n1cccc1)N1CCC[C@@H](n2cncn2)C1 931992851 VLRDSASRYAYDEL-OAHLLOKOSA-N 321.384 2.546 0 50 DFAA COC(=O)/C=C/CCNC(=O)Cc1coc2cc(C)c(C)cc12 1875311834 NOTXPCHVBDONIU-GQCTYLIASA-N 315.369 2.828 0 50 DFAA O=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(n1)CCCN2 891650768 IUBKCLALSBCGDI-CYBMUJFWSA-N 309.369 2.693 0 50 DFAA Cn1ccnc1[C@@H]1CC[C@@](C(=O)O)(n2cnc3ccccc32)C1 1776004424 RQPFWNOOJUIYRR-SJKOYZFVSA-N 310.357 2.517 0 50 DFAA Cc1cnc(C(C)(C)NC(=O)c2cc3ncccc3s2)[nH]1 2325760298 RHJMYUGFLCXQHJ-UHFFFAOYSA-N 300.387 2.993 0 50 DFAA CN1C[C@H](NC(=O)N(CC2CC2)C2CCC2)CC12CCCC2 2325786317 BHXNWPFZXKUILS-OAHLLOKOSA-N 305.466 2.977 0 50 DFAA O=C(Cc1cnc(C2CC2)[nH]1)NCc1cc2ncccc2s1 2325816565 AJUYMFJKIMVQJW-UHFFFAOYSA-N 312.398 2.756 0 50 DFAA CCOc1ccc(NC(=O)N2C[C@H](C)OC(C)(C)C2)c(OC)n1 2325827631 LRCLKXRFRJHQQV-NSHDSACASA-N 323.393 2.520 0 50 DFAA Cc1c[nH]c2c(C)cccc2c1=NCCN=c1ccc(F)c[nH]1 2325859558 AUDVWOYGDYGPCV-UHFFFAOYSA-N 310.376 2.754 0 50 DFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccccc2OC)C1 239268 ZLFLZRVOEKUHNS-MRXNPFEDSA-N 304.434 2.776 0 50 DFAA Cc1cc(C)nc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)n1 609337 WOMLMEZVSNBKCU-ZFWWWQNUSA-N 309.369 2.777 0 50 DFAA COc1ccccc1-c1nnc2sc(-c3cccnc3)nn12 2223068 TZQGYBOHUAVVCM-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA COc1cc2c(cc1-c1cc(-c3nc(C)no3)ccn1)OCO2 2356151991 LBGBTINAXDAGIQ-UHFFFAOYSA-N 311.297 2.844 0 50 DFAA CCOC(=O)C(C(=O)OCC)=C1Sc2ccccc2N1C 2694497 GUXDETKWUGYWHI-UHFFFAOYSA-N 307.371 2.566 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 225543858 LIVYDMLZGDVIGM-UHFFFAOYSA-N 313.279 2.932 0 50 DFAA O=c1cc(-c2ccccc2)nc2nc(COc3ccccc3)[nH]n12 100506428 NMEKLROMJSHORP-UHFFFAOYSA-N 318.336 2.664 0 50 DFAA CCc1ncc(CN2CCO[C@@H](Cc3cccc(F)c3)C2)cn1 20780559 MHKHXRZKPOUJGZ-KRWDZBQOSA-N 315.392 2.622 0 50 DFAA CCCCc1nc(CN2[C@H]3CC[C@@H]2CC(=O)N(C)C3)c(Cl)[nH]1 67982983 VIURPOZOBQMOBP-NEPJUHHUSA-N 324.856 2.601 0 50 DFAA CN1CCCC12CCN(C(=O)c1ccoc1C(F)(F)F)CC2 355519561 WQSHHCZVJPZOOJ-UHFFFAOYSA-N 316.323 2.999 0 50 DFAA C[C@H](Cc1cn(Cc2n[nH]c3c2CCC3)nn1)c1ccccc1 67955616 IZAUYDUYWYLAHU-CYBMUJFWSA-N 307.401 2.884 0 50 DFAA CCOC(=O)C[C@@H]1CCN(C(=O)c2ccon2)c2ccccc21 1364015225 MDXYSKVEBGCAFZ-LBPRGKRZSA-N 314.341 2.762 0 50 DFAA CCCc1[nH]nc2c1[C@H](c1cc(OC)ccc1F)CC(=O)N2 67834171 ZWEIROBIMBPBLK-NSHDSACASA-N 303.337 2.984 0 50 DFAA COC(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 252516804 WZTALXJJMQJQQI-MOROJQBDSA-N 322.449 2.796 0 50 DFAA CCc1nsc(N[C@H]2CCN(c3ncccc3Cl)C2)n1 253431629 SPWVBYBEWHKPCR-VIFPVBQESA-N 309.826 2.840 0 50 DFAA Cn1c(CCNC(=O)[C@H]2Cc3ccccc32)nc2ccc(F)cc21 358477083 LPTMYUOECHDGMJ-HNNXBMFYSA-N 323.371 2.711 0 50 DFAA CCCn1cnnc1CN(C)Cc1ccccc1OC(F)F 215503099 XUWYXFPUWGJBTK-UHFFFAOYSA-N 310.348 2.922 0 50 DFAA COCc1cc(NC[C@H]2CCc3ccccc3O2)n2nccc2n1 72463032 PYKJQQADCRLTOB-OAHLLOKOSA-N 324.384 2.681 0 50 DFAA C[C@@H]1CCOCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 362235012 GWHBROFVDUCTDX-LLVKDONJSA-N 304.321 2.732 0 50 DFAA Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cnc3c(c1)COCC3)O2 366414766 MMCIQIUWVDSUPT-GOSISDBHSA-N 324.380 2.795 0 50 DFAA CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 35153372 WLLDNSGACJHEHK-UHFFFAOYSA-N 322.474 2.670 0 50 DFAA CCc1nc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4OC)sc1C 367905450 WPYZKZXVXQROHP-BJUWDHJGSA-N 321.446 2.901 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)Cc1cn[nH]c1C(=O)O 71776421 KPYRULFTUKISST-UHFFFAOYSA-N 313.279 2.759 0 50 DFAA Cc1ocnc1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 77525103 NLMDCKLTTHQVQW-UHFFFAOYSA-N 304.321 2.806 0 50 DFAA COc1cc(C(=O)N2CCC[C@H]([C@H](C)N)C2)ccc1OC(C)C 156473050 LOZARRLMIBGHTJ-ZFWWWQNUSA-N 320.433 2.682 0 50 DFAA Cc1ccc2oc(C(=O)N3CCNC[C@@H]3c3cccnc3)cc2c1 261732076 LZONDZQKSSAPSO-MRXNPFEDSA-N 321.380 2.923 0 50 DFAA Cc1ccc(O)c(CN2CCC3(CC2)C[C@H]3c2nnc(C)o2)n1 369418609 OPTVVXMOVHHSPE-ZDUSSCGKSA-N 314.389 2.557 0 50 DFAA CCc1occc1C(=O)N1CCN(c2ccc(O)cc2)CC1 332418982 PEFVNJQMYAVWEC-UHFFFAOYSA-N 300.358 2.510 0 50 DFAA CC1=CCCN(C(=O)Nc2cc(C(F)(F)F)cnc2O)C1 281010116 LITPIOGINPBKRZ-UHFFFAOYSA-N 301.268 2.990 0 50 DFAA O=S1(=O)CC[C@@]2(CCCN(c3nc4ccccc4s3)C2)C1 333667695 IFEYPIJQHJMKAT-OAHLLOKOSA-N 322.455 2.701 0 50 DFAA COc1ccccc1[C@@H]1CCCN1Cc1cn(CCO)nc1C 214953641 YNJWSWQBDQAWNF-KRWDZBQOSA-N 315.417 2.530 0 50 DFAA C[C@@H]1[C@@H](NC(=O)c2cc3c(nc2O)CCCC3=O)CCC[C@H]1C 241231128 KSGWCEFLOCYORY-SUNKGSAMSA-N 316.401 2.861 0 50 DFAA COc1ccnc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 221453176 PTQKAWQRYNOALE-UHFFFAOYSA-N 316.748 2.550 0 50 DFAA CCCc1cc(C(=O)N[C@H](CC)c2ccc(O)cc2)n(C)n1 82120807 IENASUQWCRWALE-OAHLLOKOSA-N 301.390 2.959 0 50 DFAA CCc1ccnc(-c2noc([C@H]3CCc4cnn(C)c4C3)n2)c1 289097394 KWNPKYPPIJSANG-LBPRGKRZSA-N 309.373 2.700 0 50 DFAA COc1cc(C(=O)NCc2cc(C3CC3)n[nH]2)c2ccccc2n1 426574702 JOIJSQZSAPLJHY-UHFFFAOYSA-N 322.368 2.774 0 50 DFAA COc1cccnc1-c1cccc(C(=O)NC[C@@H]2CCCO2)c1 426471317 GMFUGNVKYPYYSQ-HNNXBMFYSA-N 312.369 2.666 0 50 DFAA COc1ccc(-c2cc(-c3nc([C@H]4CCOC4)no3)[nH]n2)cc1 96140131 SDEYFIZVAORHDF-NSHDSACASA-N 312.329 2.639 0 50 DFAA CC1(C)C[C@@H](C(=O)NCCN2CCCc3ccccc32)CCO1 97505484 RSCOVKBATMUGAP-INIZCTEOSA-N 316.445 2.761 0 50 DFAA CC(C)Oc1cccc(CCNC(=O)[C@H]2CC[C@@H](O)CC2)c1 243932678 BXSDPWAWCZXXPX-IYBDPMFKSA-N 305.418 2.684 0 50 DFAA CC(C)OC(=O)c1ccn(Cc2cc(F)ccc2F)c(=O)c1 183900046 VRGNNWFZADVJOQ-UHFFFAOYSA-N 307.296 2.740 0 50 DFAA CSCC(=O)N[C@H](CCn1ccnc1C)c1ccccc1 243893734 ATKJWJCVATXQRJ-OAHLLOKOSA-N 303.431 2.802 0 50 DFAA C[C@@H](NC(=O)C1(O)CCCCC1)[C@H]1OCCc2sccc21 294738590 UVZGRURQWDWXIW-BXUZGUMPSA-N 309.431 2.562 0 50 DFAA O=C([C@H]1CC[C@@H](O)CC1)N1CCCC[C@H]1CCc1ccccn1 244874569 XDHZVAVVJNSOES-RYQLBKOJSA-N 316.445 2.946 0 50 DFAA COc1ccc(OCCN2CC[C@@](O)(c3ccccc3)C2)cc1 252483346 DZIUGSLOMOFCCU-IBGZPJMESA-N 313.397 2.668 0 50 DFAA O=C(NCC1CCNCC1)[C@H]1C[C@H]1c1c(F)cccc1Cl 297150671 IXTOYTJTSHETNQ-NEPJUHHUSA-N 310.800 2.698 0 50 DFAA CSc1ccccc1N(C)C(=O)[C@H](CC(C)C)NC(C)=O 183415076 VHXCHUOTCYEOIS-ZDUSSCGKSA-N 308.447 2.922 0 50 DFAA Cc1cccnc1[C@@H](NC(=O)c1cnc(C2CC2)nc1O)C1CC1 534592836 DTUNQEZLVSCRGL-HNNXBMFYSA-N 324.384 2.644 0 50 DFAA Cc1cnn(CCNC(=O)[C@]2(c3cccs3)CC2(C)C)c1 534590028 QUVAKJXKFGHGFL-MRXNPFEDSA-N 303.431 2.737 0 50 DFAA CCCS(=O)(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 585136349 BICUAFGVJACAFD-UHFFFAOYSA-N 308.281 2.998 0 50 DFAA Cc1nc(CN2CCC(C3CCN(C)CC3)CC2)n(C)c1C 584902620 GUQZIMMMQYHPRH-UHFFFAOYSA-N 304.482 2.591 0 50 DFAA CC[C@H](c1ccnn1C)n1cnc2ccc(Cl)cc2c1=O 584901062 UZHATRDOGIGTEP-CYBMUJFWSA-N 302.765 2.783 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 269287178 SOVOQGJWXDKOFM-AHLTXXRQSA-N 308.372 2.654 0 50 DFAA CN(Cc1nnc[nH]1)C(=O)Nc1ncc(C2CCCCC2)s1 274849159 FOLSKBKJENSYIR-UHFFFAOYSA-N 320.422 2.973 0 50 DFAA C[C@H](CCNC(=O)N[C@H]1CCCc2sccc21)[S@](C)=O 170597047 GTXNUMMNCJCUOB-FQKDVGPYSA-N 314.476 2.582 0 50 DFAA Cc1ccc(C)c(OCCn2nnc(COc3ccccc3)n2)c1 170601015 NZUIFNXVGIKHCR-UHFFFAOYSA-N 324.384 2.948 0 50 DFAA COc1cccc([C@@H](CO)Nc2nc3ccc(F)cc3n2C)c1 644862696 VSUGMKKDFPBVMN-OAHLLOKOSA-N 315.348 2.867 0 50 DFAA COCc1nc([C@@H]2CCCCN2C(=O)c2ccsc2C)n[nH]1 650370217 FIRHKLDNMTWTSE-LBPRGKRZSA-N 320.418 2.688 0 50 DFAA CC(C)N(CCC(=O)O)C(=O)c1cccc2c1OC(C)(C)C2 656234938 UIHCSLGJNUFQQM-UHFFFAOYSA-N 305.374 2.725 0 50 DFAA O=C(NCc1ccon1)c1ccc(C(=O)c2cccc(O)c2)cc1 780851973 LKOXFKFHQWZBJP-UHFFFAOYSA-N 322.320 2.541 0 50 DFAA O=C(CN1CC[C@@H](c2ccccn2)C1)Nc1ccc(F)cc1F 799192903 ITLIGDBCDSCORS-GFCCVEGCSA-N 317.339 2.788 0 50 DFAA CC1=CCC[C@H](C)[C@@H]1CNCc1cn(C(C)C)c(=O)nc1O 1653016940 MFVWKOZLYKZCOW-DZGCQCFKSA-N 305.422 2.612 0 50 DFAA CN(CC[C@@H]1CCCCO1)c1ncccc1C(=O)N1CCCC1 1529142262 JCMBXTQIEYWJRV-HNNXBMFYSA-N 317.433 2.713 0 50 DFAA COc1ccccc1OC[C@@H](C)Nc1ncc(C)c(N(C)C)n1 1529120549 AWMBJAMLWKEDDQ-CYBMUJFWSA-N 316.405 2.739 0 50 DFAA COc1ccc(NC(=S)NC(=O)c2ccccc2)cc1OC 5854297 LWPVPLGFIBUYGL-UHFFFAOYSA-N 316.382 2.831 0 50 DFAA CCCc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1 12274785 KLCMEORRRGJONU-UHFFFAOYSA-N 313.386 2.929 0 50 DFAA C[C@@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H](C)O1 16580475 QGKJMFCOXHOIEM-PHDIDXHHSA-N 309.234 2.632 0 50 DFAA Cc1cccc(C)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857737331 HWICMXMVTUHQSK-YESZJQIVSA-N 316.445 2.531 0 50 DFAA CCc1ncnc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1F 225531205 YYPORWAWGBAJON-TZMCWYRMSA-N 305.328 2.630 0 50 DFAA CCc1csc(Cn2ccnc2-c2nc(C)c(C)n2C)n1 1875245689 MDAJCDXPHGKTET-UHFFFAOYSA-N 301.419 2.968 0 50 DFAA Cc1cccc([C@@H](C)C(=O)N2CC(CO)(c3ccccc3)C2)c1 412774277 OXZRRZKDGLHIJG-MRXNPFEDSA-N 309.409 2.871 0 50 DFAA COC(=O)c1ccnc(NC(=O)Cc2c(C)[nH]c3ccccc23)c1 114444185 ZKUUWBQHCOATBG-UHFFFAOYSA-N 323.352 2.839 0 50 DFAA CN(C)Cc1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)cn1 622540774 QCWQRDBMTBAYQL-UHFFFAOYSA-N 323.440 2.947 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 238001051 UGFZQMBDUXWTGR-CYBMUJFWSA-N 323.364 2.698 0 50 DFAA Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)CCc1ccc(O)cc1 136486067 KTUUWQQZMSPLIX-BLLLJJGKSA-N 300.406 2.738 0 50 DFAA CCCn1nccc1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 253418957 FXVNUWGDYQOFLB-KSSFIOAISA-N 311.385 2.972 0 50 DFAA CC[C@H]1CN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCO1 372748936 BDNVYUYZVRALIE-GJZGRUSLSA-N 310.438 2.689 0 50 DFAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 905032213 AVYLMMPUXHOLEW-NSHDSACASA-N 301.173 2.943 0 50 DFAA CC(C)(C)C[C@@H](O)Cc1nc(Cc2ccc3c[nH]nc3c2)no1 809479685 NRBNELCGELFJKN-ZDUSSCGKSA-N 314.389 2.876 0 50 DFAA O=C(O)[C@@H](NCc1ccc2c(n1)CCC2)[C@H]1C[C@H]2CC[C@H]1C2 1875291965 RGLDGXMFJBAWQE-ONQXIZJVSA-N 300.402 2.549 0 50 DFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(Cl)c2Cl)cn1 1875378384 BIYHNZWKGXFDFJ-WYRIXSBYSA-N 312.200 2.990 0 50 DFAA Cc1cccc2cc(C(=O)N[C@H]3CCOC34CCOCC4)oc12 890437104 YPTSRUAPFRBUOY-HNNXBMFYSA-N 315.369 2.809 0 50 DFAA Cn1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccc(O)cc2)n1 1775992610 LVKXSLCKTYCYKQ-CQSZACIVSA-N 314.389 2.755 0 50 DFAA Cc1csc(N(C)C(=O)c2cccn2Cc2ccncc2)n1 1775988568 XOZVHZPWYLOAQH-UHFFFAOYSA-N 312.398 2.973 0 50 DFAA CC(C)(C)OC(=O)c1cc(I)ccn1 144160757 WICKDHDWLWNCDK-UHFFFAOYSA-N 305.115 2.642 0 50 DFAA CC(C)(c1noc([C@H]2CCc3cc(F)ccc32)n1)S(C)(=O)=O 2325774331 LMMHJEWKKYCTMZ-LBPRGKRZSA-N 324.377 2.567 0 50 DFAA Cc1nc([C@H]2CCN(Cc3c(C)ccc4cccnc34)C2)n[nH]1 2325784232 LQFGDRZIJLVEGN-HNNXBMFYSA-N 307.401 2.959 0 50 DFAA c1ccc([C@@]2(NCc3ccc(-n4cccn4)cc3)CCNC2)cc1 2325826173 RKVICDZHIXJJEU-HXUWFJFHSA-N 318.424 2.851 0 50 DFAA Cc1nc(N[C@H](Cc2ccccc2)C(N)=O)c2ccsc2n1 208392081 PUMYUHNEAOJXIU-CYBMUJFWSA-N 312.398 2.508 0 50 DFAA COc1ccc(C(=O)CC(=O)Nc2ccc(C(=O)O)cc2)cc1 395254 IJWPYBKTQGKBOM-UHFFFAOYSA-N 313.309 2.605 0 50 DFAA O=C(NC(=S)N1CCCC[C@@H]1c1cccnc1)c1ccco1 488592 WTFCQPFPKUZTMH-CYBMUJFWSA-N 315.398 2.917 0 50 DFAA biogenic COc1cccc2cc(C(=O)N3CCCC[C@H]3C)c(=O)oc12 610038 YIGJQGSFOMATAA-LLVKDONJSA-N 301.342 2.816 0 50 DFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)C2 249297462 CAXIRSNFNXKEEY-DVZHBHJUSA-N 314.447 2.569 0 50 DFAA COc1cccc(C=O)c1OS(=O)(=O)c1ccc(C)cc1 1563923 FCYFTQDINHXGKX-UHFFFAOYSA-N 306.339 2.584 0 50 DFAA Cc1nc(-c2ccc(C(=O)NC3CCOCC3)cc2)ccc1O 2356133733 ANFYABNIVHDELK-UHFFFAOYSA-N 312.369 2.671 0 50 DFAA CCc1n[nH]c(NC(=O)[C@H]2CCCO2)c1-c1ccc(F)cc1 2356139323 PHYBJEQPOABNKO-CYBMUJFWSA-N 303.337 2.896 0 50 DFAA Cc1cc(C)cc(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)c1 9197770 VCXBUVNCANAGGC-BBRMVZONSA-N 314.429 2.915 0 50 DFAA CC(C)(CNc1ncc(F)c(-c2ccsc2)n1)OCCO 418965227 KWOSZRNBWOUMCK-UHFFFAOYSA-N 311.382 2.544 0 50 DFAA Cc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 20796175 IARKCSJSOLJWAK-LLVKDONJSA-N 312.760 2.999 0 50 DFAA O=C(CCc1ccccc1)[C@H]1CCCN(C2CCNCC2)C1 67966392 DNKMXLACGMUUEC-KRWDZBQOSA-N 300.446 2.652 0 50 DFAA Cn1nc(C(=O)Nc2cc(F)ccc2F)cc1C(F)(F)F 65363562 RTUHFGCEJFFKAS-UHFFFAOYSA-N 305.206 2.969 0 50 DFAA Cc1cc(CC(=O)N2CCS[C@H](C)[C@H]2c2ccccc2)n[nH]1 119240277 MCUMFKLGQHEXLP-DYVFJYSZSA-N 315.442 2.966 0 50 DFAA O=C(Cc1ccccn1)N1CCC([C@H](O)c2cccs2)CC1 67771138 YITMYMJZTHJRBS-KRWDZBQOSA-N 316.426 2.658 0 50 DFAA CC(=O)Oc1cc(OC(C)=O)c2ccccc2c1OC(C)=O 396533 QJECYGRWVGWSQT-UHFFFAOYSA-N 302.282 2.616 0 50 DFAA biogenic COC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 252516805 WZTALXJJMQJQQI-UHQDVWGKSA-N 322.449 2.796 0 50 DFAA CCn1cc(Cl)c(C(=O)NCc2cc3ccccc3[nH]2)n1 2771901 OGLYNHAWLPNTFH-UHFFFAOYSA-N 302.765 2.968 0 50 DFAA Cc1cc(N[C@H](C)[C@@H](O)c2ccc(O)cc2)n2nc(C)cc2n1 72479161 DRHZHFXDTUSYGA-SJKOYZFVSA-N 312.373 2.586 0 50 DFAA CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C 4913634 GCBNDIWIWZKKMF-AWEZNQCLSA-N 319.426 2.779 0 50 DFAA C=CC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 328598606 NMVZXMHTEBYCKV-SNVBAGLBSA-N 324.306 2.640 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(O)c(Cl)c2)n[nH]1 253424454 GJTFOFFGBUQKHF-LBPRGKRZSA-N 320.780 2.840 0 50 DFAA CCOC(=O)c1ncnc(NCc2ccc(OC)cc2)c1Cl 214481387 IEFVLQJNSPWVFU-UHFFFAOYSA-N 321.764 2.927 0 50 DFAA COc1cc2c(cc1CN(C)CC[C@H]1CCCCO1)OCO2 215344192 FBEPYAFHEVTPDT-CQSZACIVSA-N 307.390 2.815 0 50 DFAA COC1CCC(NC(=O)N2CCC[C@H]2c2cc(C)no2)CC1 332004918 NMIGOOZLSDHRLD-RUXDESIVSA-N 307.394 2.787 0 50 DFAA O[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cccc3nccn23)C1 281895826 YQKGMXONCWSJHP-IRXDYDNUSA-N 311.360 2.781 0 50 DFAA Cc1nccn1-c1cncc(NC[C@@H]2COc3ccccc32)n1 367407249 BWRYPMXBTDFSBV-CYBMUJFWSA-N 307.357 2.559 0 50 DFAA Cc1nn(C)c(C)c1CN(C)Cc1cc(CN(C)C)cs1 216037302 NUKKEESNDJGTRB-UHFFFAOYSA-N 306.479 2.792 0 50 DFAA Cc1ccncc1CN1CCC(c2nnc3ccccn23)CC1 372190287 DBRVKGHOGUENTI-UHFFFAOYSA-N 307.401 2.812 0 50 DFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)C(C)(C)C)n1 40267043 SZIARBYCUBSIMA-UHFFFAOYSA-N 318.348 2.673 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1cnc(-c2ccsc2)s1 238086851 AWSQPXDTWDBLOZ-SECBINFHSA-N 308.384 2.561 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)/C=C/c1ccc[nH]1 373695831 JWCQXQLELRARSO-KRCKVYFQSA-N 324.428 2.574 0 50 DFAA O=C(O)CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C1CCOCC1 377143874 XRXMTBYIJNXMIG-JKSUJKDBSA-N 323.433 2.685 0 50 DFAA C[C@H]1c2ccccc2CCN1S(=O)(=O)CC[C@H]1CCCO1 241884837 SYGDOCPGVDWEKE-DZGCQCFKSA-N 309.431 2.505 0 50 DFAA CCOc1ncccc1C(=O)N(CC)[C@H]1CCOC(C)(C)C1 222258580 ASNZVZKFDLFWDU-ZDUSSCGKSA-N 306.406 2.900 0 50 DFAA CC(=O)c1cccc(C(=O)N(C)CCCc2c(C)n[nH]c2C)c1 222246759 FKXDZFPFSGGLBX-UHFFFAOYSA-N 313.401 2.934 0 50 DFAA O=C(c1cccc(-n2cccc2)c1)N1CCOc2ncccc21 177217341 WQCMWHXGVUENNA-UHFFFAOYSA-N 305.337 2.912 0 50 DFAA C[C@@]1(c2nc(C3(c4ccccc4)CCC3)no2)CCC(=O)NC1 289911622 XCNQTCSDQMGMEH-QGZVFWFLSA-N 311.385 2.707 0 50 DFAA COC(=O)c1cc(-c2cccc(OC)c2)nc2c(Cl)cnn12 20615689 PFQKPUJGLQDJFQ-UHFFFAOYSA-N 317.732 2.845 0 50 DFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cc(C)ccc1C)C2 91459461 KUTHRGBZZDSGRH-JKSUJKDBSA-N 315.417 2.778 0 50 DFAA CCc1nc(C)sc1CNC(=O)[C@@H]1CCCN(C(C)C)C1 95504587 NEWBEDHQKBCSCB-CYBMUJFWSA-N 309.479 2.751 0 50 DFAA NC(=O)c1cccc(NC(=O)/C=C/c2c[nH]c3ccccc23)c1 96032828 HYUDSQGICKAEGE-CMDGGOBGSA-N 305.337 2.919 0 50 DFAA in-vitro Cc1cc(Cl)ccc1OCc1nc(C2CC2)nn1CC(=O)O 97819688 AXSZLTZBNSNDRN-UHFFFAOYSA-N 321.764 2.781 0 50 DFAA CCC[C@H](C)c1cn(CCc2nc3ccccc3c(=O)[nH]2)nn1 92046877 KXCCILLOZSOLEW-LBPRGKRZSA-N 311.389 2.661 0 50 DFAA COc1ccccc1NC(=O)CN(C)C1Cc2ccccc2C1 141275625 RAWHRNRZTPORDK-UHFFFAOYSA-N 310.397 2.733 0 50 DFAA O=C(c1cc2ncccn2n1)N1CC=C(c2ccc(F)cc2)CC1 97546686 FYEOFGUPSYINOI-UHFFFAOYSA-N 322.343 2.798 0 50 DFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(C)cc(C)c1 622874828 HWPXKPDJOFQIBS-SFHVURJKSA-N 322.408 2.550 0 50 DFAA C[C@H]1CN(C(=O)c2ccoc2)C(C)(C)CN1C(=O)c1ccoc1 297935886 ZJKMXWBZARHUFE-LBPRGKRZSA-N 316.357 2.638 0 50 DFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCCc1cccc2[nH]ccc12 299740563 AAPKJTCAPSREGL-HNAYVOBHSA-N 324.428 2.811 0 50 DFAA CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)NCC(N)=O)c1 299760251 PDVVGONVZILSEX-UHFFFAOYSA-N 305.422 2.888 0 50 DFAA Cc1nn(C)cc1CN1Cc2cnc(-c3ccccc3)nc2C1 299755250 CHVOJCFLBBWKCR-UHFFFAOYSA-N 305.385 2.701 0 50 DFAA COc1nc(NCC[C@@H]2CCCN3CCCC[C@H]23)ncc1F 824845837 UTHNSYPDIWYSFN-GXTWGEPZSA-N 308.401 2.691 0 50 DFAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)Cc2ncccc2C)n1 584892067 RZWSGQHGKXKIMC-AWEZNQCLSA-N 314.433 2.731 0 50 DFAA CCOCCN[C@H](C)C[C@H](C)CCNC(=O)OC(C)(C)C 585134928 PNTITMOIRMTERX-ZIAGYGMSSA-N 302.459 2.942 0 50 DFAA CCCn1cc(CN2CCN(Cc3cccs3)CC2)c(C)n1 670461254 WUBJNVPDESHZHA-UHFFFAOYSA-N 318.490 2.981 0 50 DFAA CCCCc1ncc(CN2CCC(Cn3ccnc3)CC2)[nH]1 670473472 GBYIHTSPTFSNRT-UHFFFAOYSA-N 301.438 2.861 0 50 DFAA CC[C@@H](NCc1c(CO)cnc(C)c1O)c1nc(C)c(C)s1 952976509 ZQMNXPWKOWXIDH-CQSZACIVSA-N 321.446 2.902 0 50 DFAA C[C@H](NCc1ccc(OC2CCCC2)cc1)c1nncn1C 952974419 JLFIVUUZNOKAFR-ZDUSSCGKSA-N 300.406 2.987 0 50 DFAA Cn1c(SCC[C@H]2COC(C)(C)O2)nnc1-c1cccnc1 408522210 FMHJFPNRKQGDQY-LBPRGKRZSA-N 320.418 2.511 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 165532547 ZSUUVCRBOPFANB-NSHDSACASA-N 318.760 2.825 0 50 DFAA CCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)C1 637465516 FWLAHTKKFPGBTQ-AEGPPILISA-N 307.463 2.587 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccc1)c1ccn(CC(F)F)n1 194377601 SHXMCYYNQZAGOH-UHFFFAOYSA-N 317.299 2.791 0 50 DFAA Cc1conc1NS(=O)(=O)Cc1cc(Cl)ccc1F 194619905 CNVUHVBOKCWDHV-UHFFFAOYSA-N 304.730 2.717 0 50 DFAA CCn1cc(C(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc21 195192902 YFPADNBVRCNQKW-LBPRGKRZSA-N 300.358 2.598 0 50 DFAA Cc1cnc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)o1 195263136 SSAWQMXEIKDFIB-AWEZNQCLSA-N 320.462 2.702 0 50 DFAA CC[C@H](Sc1ncc2c(n1)CC(C)(C)CC2=O)C(=O)OC 585118671 XZALTZYXCBUEGF-LBPRGKRZSA-N 308.403 2.675 0 50 DFAA COc1ccc(C[C@@H](C)C(=O)Nc2nc3cnccc3[nH]2)cc1 760706422 CDDBFMKYQVOKQI-LLVKDONJSA-N 310.357 2.784 0 50 DFAA CC[C@H](O)CCN[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1616035323 XIFFYFJHVZWCMY-AJNGGQMLSA-N 312.454 2.525 0 50 DFAA O=C(COc1ccccc1O)Nc1ccc(Br)cn1 396037 PUOLVDFPKDAFJT-UHFFFAOYSA-N 323.146 2.567 0 50 DFAA c1cc(CN(Cc2nc(C3CC3)no2)C[C@@H]2CCCO2)ccn1 1529133996 KQJZMBZQXNRGBQ-HNNXBMFYSA-N 314.389 2.523 0 50 DFAA CCOCCc1nnc(NC(=O)c2ccc(CC)s2)s1 1529111496 ZIUZAPSXHPRVGO-UHFFFAOYSA-N 311.432 2.993 0 50 DFAA COc1ccccc1-c1ccc(N(C)Cc2c[nH]nc2C)nn1 1529111474 YYXQETRNQUQZQY-UHFFFAOYSA-N 309.373 2.820 0 50 DFAA CN1CC[C@@H]2CN(Cc3ccc(-c4cccnc4)cc3)C[C@@H]2C1=O 1775976526 AYMZXMOUPJWDBN-MOPGFXCFSA-N 321.424 2.659 0 50 DFAA CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1 15746036 FKMIXUABQHLYIZ-OAHLLOKOSA-N 317.453 2.738 0 50 DFAA C[C@H]1CN(C2CCN(CCCC(F)(F)F)CC2)C[C@@H](C)O1 19608833 UIPFFROUERKCBW-BETUJISGSA-N 308.388 2.903 0 50 DFAA CCc1nccc(-c2nccn2[C@@H](COC)c2ccccn2)n1 1857728021 JXUPGVUMFJRHHK-HNNXBMFYSA-N 309.373 2.533 0 50 DFAA CC(=O)N1CCC[C@@H](n2ccnc2-c2ccncc2Cl)C1 1875246255 CRRJPRNSUCTUBU-GFCCVEGCSA-N 304.781 2.782 0 50 DFAA CC(C)c1nc(O)ccc1C(=O)NCc1ccc2c(c1)OCO2 1875247579 LHUUMEBFSKOORN-UHFFFAOYSA-N 314.341 2.569 0 50 DFAA CCc1ccsc1C(=O)N(C)C[C@H]1CCc2nccn2C1 328621497 HTJLYPNSRQIZAA-GFCCVEGCSA-N 303.431 2.842 0 50 DFAA CNC[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)C1 237182772 TWXKDOLFLTVVIR-OLZOCXBDSA-N 310.825 2.565 0 50 DFAA COc1ccc(-c2n[nH]cc2CN[C@H]2CC[C@H](CO)CC2)cc1 449187223 MAVPEZLPNPGFAD-SAZUREKKSA-N 315.417 2.726 0 50 DFAA CNc1ccc(C(=O)N2CCN(C(C)(C)C)c3ccccc32)cn1 355188669 VOOHSMBVDULWIG-UHFFFAOYSA-N 324.428 3.389 0 50 DFAA C[C@@H](C(=O)Nc1n[nH]c2c1c(-c1ccccc1)nn2C)C1CC1 267115146 IPPMCGSSOCZISA-SNVBAGLBSA-N 309.373 2.948 0 50 DFAA O=C(c1ncccc1O)N1CCCC[C@@H]1CC1(O)CCCCC1 925042953 AHGQKHZNVHSLTB-CQSZACIVSA-N 318.417 2.867 0 50 DFAA CS[C@@H](C)Cc1nc(-c2cnn(-c3ccccc3)c2N)no1 874435564 XSBMDIKIUCAJET-JTQLQIEISA-N 315.402 2.799 0 50 DFAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)CCc1ncon1 952995047 BKUZTWWZPKUPBR-ILXRZTDVSA-N 323.437 2.548 0 50 DFAA C[C@@]1(C(=O)N2CCC(CN=S(C)(C)=O)CC2)CC=CCC1 952993271 UBBNPNBABCQIPJ-MRXNPFEDSA-N 312.479 2.699 0 50 DFAA Cn1cc(-c2cc(C(=O)N3CC[C@@H]3Cc3ccccc3)on2)cn1 1875283280 MFFMGXPTMZZGPC-OAHLLOKOSA-N 322.368 2.532 0 50 DFAA COC(=O)c1cc(OC[C@@H]2C[N@@]2CC(C)C)c2ccoc2c1 1875381396 TVUJRYLICGLZLU-SCLBCKFNSA-N 303.358 2.938 0 50 DFAA O=C(N[C@H]1CCCc2cccc(F)c21)[C@@H]1CC(C2CC2)=NO1 1875327815 MDRIEZFXPPSMES-ZFWWWQNUSA-N 302.349 2.874 0 50 DFAA 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318.461 2.580 0 50 DFAA CSCc1nc(CN2C[C@]3(CCOC3)CCC2=O)cs1 91548378 VDVJPOXYNMMTKN-CQSZACIVSA-N 312.460 2.535 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)c2ccc3c(c2)ncn3C)c1 97679870 MXPHTBLQPYEYAA-UHFFFAOYSA-N 308.385 2.857 0 50 DFAA Cc1nc(CC2CCN(Cc3cccc(C(=O)O)c3)CC2)no1 97654023 QPHVKEAFSSSOAO-UHFFFAOYSA-N 315.373 2.531 0 50 DFAA O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H]1c1ccccn1 91503946 RCUYUZSSWDIALV-QGZVFWFLSA-N 319.368 2.640 0 50 DFAA CCc1nc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)n[nH]1 244748809 OOSSPETVCLKAJK-ZDUSSCGKSA-N 314.368 2.720 0 50 DFAA O=C(Nc1cnns1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 297668935 FMJWVWRQCONFDG-LLVKDONJSA-N 324.793 2.877 0 50 DFAA Cc1ccc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)cn1 299741207 DTCOSMJMVJIETA-JKSUJKDBSA-N 312.373 2.827 0 50 DFAA CCN(C)C1(CNS(=O)(=O)c2ccc(C)s2)CCCC1 534640831 KJXPNUKOYFWXHR-UHFFFAOYSA-N 316.492 2.599 0 50 DFAA C[C@H](NC(=O)N1CCCN(c2ccccc2)CC1)C(F)(F)F 377396231 FHZBDKGNCBHEQM-LBPRGKRZSA-N 315.339 2.859 0 50 DFAA C[C@H](CCn1cnc2ccc(Cl)cc2c1=O)N1CCCC1 584903501 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DFAA Cc1nonc1[C@H]1CCCN1C(=O)c1cccc(-n2cccn2)c1 77393368 HMOGJXSAEYBLQK-OAHLLOKOSA-N 323.356 2.541 0 50 DFAA CC(C)c1ccc([C@H](O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 252241522 KHZPRQPZUXZUGJ-BRWVUGGUSA-N 313.397 2.795 0 50 DFAA COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC 6018693 AOLOMULCAJQEIG-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic Cc1noc([C@H](NCc2cc(C)oc2C)C2CCOCC2)n1 328625535 KVRTUTJWTIMZHX-OAHLLOKOSA-N 305.378 2.845 0 50 DFAA CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1ccon1 252492228 MGDPTPKHODXMIH-UHFFFAOYSA-N 305.359 2.512 0 50 DFAA COC(=O)CCN1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72158769 HJYMXJYIHKVIJC-AWEZNQCLSA-N 305.353 2.792 0 50 DFAA Cc1oc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1C(=O)O 324473693 DVWOTYFGBGTYPQ-AWEZNQCLSA-N 313.353 2.708 0 50 DFAA C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1 123906507 INDMGZZZALODIY-WMLDXEAASA-N 308.381 2.712 0 50 DFAA O=C(c1cc[nH]c(=O)c1)N1CCc2cc(-c3ccccc3)oc2C1 151772355 QJPJUZYHWJHJPU-UHFFFAOYSA-N 320.348 2.833 0 50 DFAA O=C(O)[C@H]1CCC[C@@H](C(=O)N2CCCc3ccccc3C2)C1 171790634 HQWIEKYVKLHFLA-CABCVRRESA-N 301.386 2.852 0 50 DFAA O=C(Nn1cnnc1)c1cccc2c1C(=O)c1cc(Cl)ccc1-2 71315160 WISVWOWGOQTLDD-UHFFFAOYSA-N 324.727 2.527 0 50 DFAA CN1C[C@@H](CNC(=O)c2ocnc2C2CC2)Cc2ccccc21 368571710 FTVWZLTVKLCZEH-GFCCVEGCSA-N 311.385 2.591 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccn1 333269609 VVRUZSPDBSMTJB-OAGGEKHMSA-N 315.417 2.537 0 50 DFAA Cc1nc(O)ccc1C(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1 333405248 GJOLJJNQDOCQRS-INIZCTEOSA-N 316.401 2.517 0 50 DFAA CC1(C)C(c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3O4)n[nH]2)C1(C)C 333995772 NKMWZBZDQOBYLR-DMDPSCGWSA-N 317.433 3.455 0 50 DFAA C[C@@H](c1ccc(-c2cnn(CCC(N)=O)c2)cc1)N1CCCC1 426531766 OZYAWYDETQXAPO-AWEZNQCLSA-N 312.417 2.582 0 50 DFAA C/C(=C\c1ccccc1)CN1CCN(C)[C@H](c2nc(C)no2)C1 285600657 UPKCUFMFQKIHKL-WKOYGUFESA-N 312.417 2.770 0 50 DFAA COc1ccc(CNC(=O)Nc2ccnn2C(C)C)c(OC)c1 47363167 JEGAXGYBUCTAIZ-UHFFFAOYSA-N 318.377 2.803 0 50 DFAA Cc1ccn2c(F)c(C(=O)N[C@@H](C)Cc3cccnc3)nc2c1 426359082 OUULEZOUYVKYKD-LBPRGKRZSA-N 312.348 2.538 0 50 DFAA O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CCN1 177841715 HHOJITRLHBADRJ-OCCSQVGLSA-N 306.793 2.530 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCCCc1ccccc1 239159511 MFRBGFQLDDSTEI-MWDXBVQZSA-N 313.397 2.648 0 50 DFAA CCc1noc([C@@H]2CCC(=O)N(CCCc3ccccc3)C2)n1 91364495 HJMYFFCKKOGUMF-OAHLLOKOSA-N 313.401 2.971 0 50 DFAA CNc1nc(C(=O)NC[C@@H]2CCOc3ccccc3C2)cs1 95371624 NYQGOTCFJYEAAH-LLVKDONJSA-N 317.414 2.556 0 50 DFAA COc1ccc2c(c1)OC[C@H](Cc1cc(C)nc(N(C)C)n1)C2 95527209 WKKADOXRAQCJEA-ZDUSSCGKSA-N 313.401 2.653 0 50 DFAA Cc1cnc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)nc1C 179225567 BFEBLVIQACCKTA-MRXNPFEDSA-N 310.401 2.554 0 50 DFAA CN(C)c1cccc(CNc2ncnc3c2ncn3C2CC2)c1 292698893 JYFBSYVCVZNIDA-UHFFFAOYSA-N 308.389 2.839 0 50 DFAA Cn1ncc(CN2CCC[C@@](CO)(CC3CC3)C2)c1C1CC1 92046589 NAGDMGNJLKFGRY-GOSISDBHSA-N 303.450 2.672 0 50 DFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1cccc2c1OCCO2 244651999 GYABURCBARXWEO-ZDUSSCGKSA-N 317.385 2.679 0 50 DFAA COc1cc(CCc2ccccc2OCCN)cc(OC)c1 601008680 KVKQCYHODMIJOF-UHFFFAOYSA-N 301.386 2.827 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)n1cnc2cc(Cl)ccc2c1=O 584899680 VKKVHXMMVROMCZ-SNVBAGLBSA-N 302.765 2.999 0 50 DFAA CC(C)Cc1noc([C@@H]2CCCN(Cc3cnc(N)s3)C2)n1 670433744 BHCQMAFDCJOUPK-LLVKDONJSA-N 321.450 2.686 0 50 DFAA COc1ccc(NC(=O)c2cc(C)oc2C)cc1C(=O)N(C)C 952969280 QAAMVZRXQNYKOF-UHFFFAOYSA-N 316.357 2.859 0 50 DFAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 96941618 SJIVVBIUXVKZDK-CHWSQXEVSA-N 301.308 2.860 0 50 DFAA in-vitro C[C@H]1CN(C(=O)c2ccc3c(c2)CCCO3)C[C@]1(O)C1CCC1 1565507609 UYMOCWSHJGGHFH-ORAYPTAESA-N 315.413 2.635 0 50 DFAA O=C1CCCC[C@H](C(=O)Nc2cnccc2-c2ccccc2)N1 408520310 OEINRABHGSTJMN-OAHLLOKOSA-N 309.369 2.746 0 50 DFAA O=C(N[C@@H](CC1CC1)C(=O)O)c1csc(C(F)(F)F)c1 630160940 WEGWSMGGAZAPKQ-QMMMGPOBSA-N 307.293 2.750 0 50 DFAA CS[C@@H](C)Cc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 274082985 ZETPWDUKOKBSPJ-RYUDHWBXSA-N 317.414 2.884 0 50 DFAA Cc1n[nH]cc1CNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 274356903 HJYHIPMGXBMYLT-AWEZNQCLSA-N 316.380 2.631 0 50 DFAA CN(C(=O)NC1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 170091456 HABJCKHDYXXQAU-QWHCGFSZSA-N 315.200 2.755 0 50 DFAA Nc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccn1 193442046 FHWIWCQCSCGSSS-IAGOWNOFSA-N 315.392 2.891 0 50 DFAA COc1cc(NC(=O)N2CCSCC2)cc2cccnc12 585086506 VCHUHRXAOKQDJJ-UHFFFAOYSA-N 303.387 2.824 0 50 DFAA CCN(CCCCO)S(=O)(=O)c1cc(C)c(F)cc1Cl 1506420699 BQKNVMPQACGERT-UHFFFAOYSA-N 323.817 2.571 0 50 DFAA Cc1cc(N2CCOC[C@@H](CN(C)C)C2)c2cc(F)ccc2n1 1506421368 HPYNJWVUJOZASF-AWEZNQCLSA-N 317.408 2.697 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3cc(F)ccc3Cl)C[C@@H]2O)n[nH]1 1704338341 RFRWZPUAGYCATP-WBMJQRKESA-N 323.799 2.546 0 50 DFAA CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12381937 GWSPJJJDTKNZGQ-UHFFFAOYSA-N 324.446 2.846 0 50 DFAA COc1ccc(-c2[nH]ncc2CN2CCSCC2)c(OC)c1 13595806 HBUCZZBDXUHPML-UHFFFAOYSA-N 319.430 2.643 0 50 DFAA CC(=O)[C@@H](O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 13829471 BPZSPAZBZFZZBN-DOTOQJQBSA-N 324.332 2.580 0 50 DFAA in-vitro C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 16226260 GUBBWOQSMITJTH-YHUYYLMFSA-N 308.466 2.776 0 50 DFAA Cc1cccc(N(CCC(=N)O)C(=O)[C@@H](C)c2cncnc2)c1 328596180 VZCQCIYOKXSTKC-ZDUSSCGKSA-N 312.373 2.847 0 50 DFAA Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)c1 237666667 HUVCMKLBJXXBCS-IAGOWNOFSA-N 316.445 2.801 0 50 DFAA CC(C)c1nc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cs1 253423102 KUSSVSQOLCARRW-OLZOCXBDSA-N 307.463 2.965 0 50 DFAA O=C(N[C@H]1CCc2cc(F)ccc21)[C@H](CO)c1ccc(F)cc1 253405228 IUZCZUXPURCFGA-SJORKVTESA-N 317.335 2.844 0 50 DFAA COC[C@H](C)C(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 262945333 NXTZUDORGMVDFH-ZFWWWQNUSA-N 322.474 2.501 0 50 DFAA O=C(Nc1ccc2nc(S)oc2c1)[C@@H]1CC12CCOCC2 163699678 MXWKVSNVTGODGL-JTQLQIEISA-N 304.371 2.872 0 50 DFAA CCc1nn(C)cc1NC(=O)NCc1ccc2c(c1)C[C@@H](C)O2 930693218 HMGJTJMQYZIODZ-LLVKDONJSA-N 314.389 2.628 0 50 DFAA CC(=O)N(Cc1ccc(N=c2nc[nH]n3cccc23)cc1)C(C)C 1875295068 QEIDONFGPBUJKJ-UHFFFAOYSA-N 323.400 2.652 0 50 DFAA CC1=NN(c2cccc(NC(=O)c3cnc(C4CC4)o3)c2)C(=O)C1 1875284183 PUGLOZLJIURHRJ-UHFFFAOYSA-N 324.340 2.917 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC(C2CC2)CC1 1875314199 MFTTTZPHGQQULL-NEPJUHHUSA-N 317.433 2.705 0 50 DFAA CC(C)(C)c1coc(CNC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n1 893751445 XPYJDRCRYHSEFH-FQOPFDEGSA-N 303.406 2.816 0 50 DFAA CCCN(C)C(=O)NCc1ncc(-c2ccc(OC)cc2)[nH]1 1775989483 BNXXRKDAWFGDLZ-UHFFFAOYSA-N 302.378 2.637 0 50 DFAA Cc1cc(Br)cc(C(=O)N2CCC[C@]2(C)CO)c1 135867170 RZQWLAMQGKYBJM-CQSZACIVSA-N 312.207 2.745 0 50 DFAA c1ccc(Cn2cc(CNC3Cc4cscc4C3)nn2)cc1 2325788426 FSYUWKNBKPEYQJ-UHFFFAOYSA-N 310.426 2.645 0 50 DFAA COc1cc2[nH]c(=S)n(Cc3ccco3)c(=O)c2cc1OC 425208 MJHAOKKNQKOMKD-UHFFFAOYSA-N 318.354 2.718 0 50 DFAA CCN(CC)CCNc1ncnc2c1cnn2-c1ccccc1 426459 VNJFSEWVOUFHQC-UHFFFAOYSA-N 310.405 2.569 0 50 DFAA COC(=O)[C@@H]1[C@@H](C(=O)OC)C1(c1ccccc1)c1ccccc1 453264 ZMTMDYJPIDDFHD-HOTGVXAUSA-N 310.349 2.565 0 50 DFAA Cc1nn(C)c2c1[C@H](NC(=O)c1ccc3ccccn13)CCC2 2356155023 UQNRCMFRDKXIMJ-CQSZACIVSA-N 308.385 2.789 0 50 DFAA CC(C)n1c(S)nnc1CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 225417094 XTDZOLSXWALTJI-SRVKXCTJSA-N 308.451 2.590 0 50 DFAA Cc1cc(-c2nn3c(-c4cccc(F)c4)nnc3s2)no1 9485884 OEFCZCBNXHRONL-UHFFFAOYSA-N 301.306 2.955 0 50 DFAA CN[C@@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 133677707 WBCGCPUKWMWPTJ-VIIAAUOXSA-N 323.234 2.673 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)C2[C@H]3CCC[C@H]23)c1 134560996 RMLHWMKWVDYVNR-STQMWFEESA-N 314.414 2.849 0 50 DFAA CC[C@]1(C)OC(=O)N(CCc2ccc(OC)c(OC)c2)[C@]1(C)O 52371 BNSFMCYBLDTSOZ-DLBZAZTESA-N 323.389 2.576 0 50 DFAA CCn1ncnc1CN1CCC(c2ccccc2OC)CC1 216189813 QKEUVGTWSPGHPZ-UHFFFAOYSA-N 300.406 2.686 0 50 DFAA O=C(Nc1ncn(Cc2cccc(F)c2)n1)c1ccc(F)cc1 2794202 JAHSNDLAOCAAKU-UHFFFAOYSA-N 314.295 2.857 0 50 DFAA NCC[C@@H](NC(=O)c1scnc1C1CCCC1)C(F)(F)F 423743809 MGLXJTSCSMPGHI-SECBINFHSA-N 321.368 2.810 0 50 DFAA O=C(c1ccncc1F)N(Cc1ccc(O)cc1)CC1CC1 154051757 SDEDZSNEEGWRGP-UHFFFAOYSA-N 300.333 2.979 0 50 DFAA Cc1cc(N2CC[C@H](CN(C)Cc3scnc3C)C2)ncn1 328630738 JQXAESDZTNRPIG-CQSZACIVSA-N 317.462 2.508 0 50 DFAA CCc1nc(N2CCC(Oc3ccc(OC)cc3)CC2)no1 77490023 RJPZUUBADUMRCI-UHFFFAOYSA-N 303.362 2.688 0 50 DFAA CCC1(CC)CCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 329078763 QNJDYGWDDSDGOL-CQSZACIVSA-N 315.479 2.630 0 50 DFAA COC1CCC(N(C)C(=O)N[C@H]2COCc3ccccc32)CC1 333924194 SVFQXKRPBPFLKC-DQPZFDDXSA-N 318.417 2.857 0 50 DFAA c1ccc([C@@H](Nc2ncnc3c2CCNCC3)c2ccco2)cc1 72407822 GPKULYRLSIOXGO-GOSISDBHSA-N 320.396 2.959 0 50 DFAA CC(C)NS(=O)(=O)N1CCC(c2cccc(Cl)c2)CC1 280901384 GYIFXJBSFJAQJY-UHFFFAOYSA-N 316.854 2.762 0 50 DFAA O=C(c1ccnc2ccncc12)N1CCC[C@H](OCC2CC2)C1 367491159 RGADIDYRGNMQHY-AWEZNQCLSA-N 311.385 2.661 0 50 DFAA C[C@H](C(=O)O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 262228112 LVBWMUHXHBWWDB-PELKAZGASA-N 304.173 2.840 0 50 DFAA Cc1[nH]nc(CCC(=O)N[C@H]2CC[C@H]2NC2CCCCC2)c1C 72424050 NHULTGXWWBXYOW-SJORKVTESA-N 318.465 2.529 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 281553527 NGWKXWCZZCWYMW-DJIMGWMZSA-N 319.424 2.807 0 50 DFAA CC(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1 72434123 VQNZFEDUIMSXIY-UHFFFAOYSA-N 308.345 2.673 0 50 DFAA C[C@H](O)c1cccc(N2CCC(CC3CC3)(C(=O)O)CC2)n1 71738407 ZIRQCPVDSOAJCB-LBPRGKRZSA-N 304.390 2.606 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccnc(C2CC2)c1 263453338 TXQSBPMGOBUWAT-MAZHCROVSA-N 314.385 2.817 0 50 DFAA COc1cccc(OCC(=O)N2CCC[C@H]2c2nccs2)c1 222289399 JUFNNUSOXYQXOE-AWEZNQCLSA-N 318.398 2.894 0 50 DFAA Nc1nccc(C2CCN(C(=O)[C@@H]3CC34CCCCC4)CC2)n1 426435239 ASYPETLGDJDJFZ-AWEZNQCLSA-N 314.433 2.735 0 50 DFAA CNC(=O)c1ccc(C[C@H]2COc3cc(OC)ccc3C2)cc1 95519121 SEWGMTSMVAHIIC-CQSZACIVSA-N 311.381 2.849 0 50 DFAA Cn1ccc2ccc(C(=O)N3CCC(Cn4ccnc4)CC3)cc21 95502990 ONRMKJMXZARYIH-UHFFFAOYSA-N 322.412 2.927 0 50 DFAA Cc1cccc(C[C@H](C)NC(=O)Cc2sc(C)nc2C)n1 584902534 DZSSQUHYCMPSFD-NSHDSACASA-N 303.431 2.753 0 50 DFAA Cc1cc(C)cc(N2CCN(C(=O)C[C@H]3CCCOC3)CC2)c1 584887826 UNBGPKLGDGCNBF-QGZVFWFLSA-N 316.445 2.769 0 50 DFAA CCc1[nH]nc(-c2n[nH]c(COc3cccc(F)c3)n2)c1C 952868112 YWRZTHDJZWIZOA-UHFFFAOYSA-N 301.325 2.784 0 50 DFAA Cc1ccccc1O[C@@H](C)CN1C(=O)[C@@H]2CCCCN2C1=O 170068421 PEAKOJCWLOAXIU-KBPBESRZSA-N 302.374 2.579 0 50 DFAA COc1ccc(OC)c(CNc2ccc(-n3ccnc3)nc2)c1 170624745 TYJMBGFAVGRMKY-UHFFFAOYSA-N 310.357 2.897 0 50 DFAA Cc1cc2oc(=O)cc(CSC[C@@H](O)CO)c2cc1C(C)C 170652474 AMZYOPMTDNCTTP-ZDUSSCGKSA-N 322.426 2.811 0 50 DFAA CCc1ccc2occ(C(=O)N3C[C@H](O)CC(F)(F)C3)c2c1 671814072 NSHSBHSHZGRVDC-LLVKDONJSA-N 309.312 2.837 0 50 DFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC1(C(=O)O)CCCC1 659135715 KOZJBCQFTPMJTF-LSDHHAIUSA-N 301.386 2.860 0 50 DFAA O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cnn2c1NCCC2 1623959020 DWMAPUPWAHABDH-UHFFFAOYSA-N 307.357 2.946 0 50 DFAA CN(Cc1cccnc1N)C[C@@H]1CCN(Cc2ccccc2)C1 215613215 NVHAMLGKKBEITD-KRWDZBQOSA-N 310.445 2.618 0 50 DFAA CC(=O)NC(C)(C)C[C@@H](C)NCc1nn(C)c2ccc(C)cc12 1506398407 CEARTEUVLWBBJS-CYBMUJFWSA-N 316.449 2.665 0 50 DFAA Cc1ccc(N2CCC(NC3(C(=O)O)CCCC3)CC2)cc1 1506422006 YSJZQEPIAJOWDP-UHFFFAOYSA-N 302.418 2.951 0 50 DFAA Cc1[nH]c2c(I)cccc2c1CCN 1234995 DXYNCWVEJJHFJI-UHFFFAOYSA-N 300.143 2.582 0 50 DFAA in-vitro O=C(O)[C@H]1CCCN(C(=O)CCc2cc(Cl)cs2)C1 237951399 FQBWPNGJGQKKHR-VIFPVBQESA-N 301.795 2.657 0 50 DFAA C[C@H](N)[C@H]1CCCCN1C(=O)c1cc(Br)cs1 121781782 IHWATFLCQCQMEA-WCBMZHEXSA-N 317.252 2.853 0 50 DFAA COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC 19842244 VICVSKUZOVJYOY-UHFFFAOYSA-N 304.434 2.764 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]1 152714273 CKSSAYQWNPNNBS-MRXNPFEDSA-N 310.397 2.949 0 50 DFAA NC[C@H]1CCC[C@@H](n2ccnc2-c2ccccc2OCCO)C1 1857671633 MLFOUUKOPVVXIK-LSDHHAIUSA-N 315.417 2.611 0 50 DFAA O=C(NCc1ccc2c(c1)CCO2)[C@H]1CC[C@H](c2ccccc2)N1 1857740819 ODHOXYGAMRZFTD-QZTJIDSGSA-N 322.408 2.731 0 50 DFAA CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ncnc2ccsc12 614211207 ZTNJBNNAZBFDCL-LBPRGKRZSA-N 318.446 2.542 0 50 DFAA CO[C@@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)[C@H](C)C1 225645229 HUAUISBFTQDWLI-UKRRQHHQSA-N 323.400 2.795 0 50 DFAA Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccncc2C)o1 120506404 POCMMLSYYVAYJS-AWEZNQCLSA-N 301.346 2.897 0 50 DFAA COc1cc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)ccc1C(=O)O 630184558 OWUVPEIHGQJKEJ-DJIMGWMZSA-N 323.348 2.918 0 50 DFAA NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccccc2F)o1 238049082 QBJIUEXARJWYSR-SMDDNHRTSA-N 302.349 2.943 0 50 DFAA O=C(C1CCN(Cc2ccco2)CC1)N1C[C@H]2CCC[C@@H]1C2 247873142 RTECMULIWQEYSZ-GOEBONIOSA-N 302.418 2.893 0 50 DFAA O[C@@H](CNC1CCN(C2CCC2)CC1)c1cc(F)ccc1F 819353548 DMDRMKVVMKDCDN-KRWDZBQOSA-N 310.388 2.605 0 50 DFAA Cn1nc(C(=O)Nc2cccc3c2OCCCO3)cc1C(F)F 828607905 GAPNKEIYDYSBHA-UHFFFAOYSA-N 323.299 2.771 0 50 DFAA Cc1ncc(C(=O)NCCc2cccc(Br)c2C)[nH]1 830562158 LYMQOZBPNVNOFD-UHFFFAOYSA-N 322.206 2.762 0 50 DFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1cccc(F)c1 952890496 VHCZEJIEKOHVMK-CYBMUJFWSA-N 317.320 2.614 0 50 DFAA COc1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)[nH]n1 1875285153 DSQCUXPAEOADLI-ZDUSSCGKSA-N 317.364 2.795 0 50 DFAA CN(Cc1cccc2cccnc12)C(=O)c1cn2ncccc2n1 1875349666 HVVJMHREQBMUAJ-UHFFFAOYSA-N 317.352 2.550 0 50 DFAA COc1ccc2c(c1)[C@H](C(=O)N1CC(c3cc(C)on3)C1)CC2 2325791450 ZWGZFSPFQAUABW-OAHLLOKOSA-N 312.369 2.647 0 50 DFAA Fc1cccc2c1[C@@H](N[C@H]1CCc3n[nH]cc3C1)CCCO2 2325797564 FVHYSIWJWURIGU-WFASDCNBSA-N 301.365 2.910 0 50 DFAA COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 6097 RVFIAQAAZUEPPE-UHFFFAOYSA-N 312.797 2.574 0 50 DFAA in-vitro C[C@H](O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 100023 ZJWKLJSZYMCZQD-YUMQZZPRSA-N 309.460 2.871 0 50 DFAA CN(C)CC[C@](O)(c1ccccc1)c1nc2ccccc2n1C 228820 BUIZZOPALKBZBU-IBGZPJMESA-N 309.413 2.761 0 50 DFAA Fc1nccc(I)c1Br 2384120 IAZJZTNSBFOSIS-UHFFFAOYSA-N 301.884 2.588 0 50 DFAA COc1ccccc1NC(=O)CNC(=O)c1ccccc1Cl 2881133 MTYRBHXEUYJQLS-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA Clc1ccc(CNCCCN2CCOCC2)cc1Cl 4488547 IRROVUXZEXNZAH-UHFFFAOYSA-N 303.233 2.805 0 50 DFAA COc1cc(S(=O)(=O)Nc2cccc(O)c2)c(OC)cc1C 6702091 PHDOYAKTFSFCSG-UHFFFAOYSA-N 323.370 2.519 0 50 DFAA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cs1 6726964 WBCVXUCPQGLZPF-UHFFFAOYSA-N 324.427 2.559 0 50 DFAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCCc1ccccc1 10475472 NJYNFHUFVYGEOI-GOSISDBHSA-N 308.381 2.996 0 50 DFAA biogenic CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(C)nn1 412240911 AARRKVUUCSVZBY-OAHLLOKOSA-N 310.401 2.526 0 50 DFAA O=C(Nc1ncc(C(F)(F)F)s1)N1CC[C@]2(CCOC2)C1 225679145 BFXDERKYKBGGGD-NSHDSACASA-N 321.324 2.806 0 50 DFAA c1nc2c(c(NCCc3csc4c3CCCC4)n1)CCNC2 67982216 YAMPUSBKPICPKH-UHFFFAOYSA-N 314.458 2.717 0 50 DFAA Cc1cc(C)n(CCCN(C)Cc2c(C)nn(C)c2Cl)n1 65462436 ISNHYTVIRASKGB-UHFFFAOYSA-N 309.845 2.717 0 50 DFAA CC(C)c1nccc(CN2CC[C@H](CNC(=O)C(C)(C)C)C2)n1 67691088 INLOJGVOSQLUDB-CQSZACIVSA-N 318.465 2.584 0 50 DFAA Cn1c(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc2ccccc21 118952578 JSIQLIDFWOADNT-OAHLLOKOSA-N 320.396 2.582 0 50 DFAA CCOc1ccc([C@@H](COC)NC(=O)c2ccccn2)cc1 252494714 OCNQREIQOHPUGD-MRXNPFEDSA-N 300.358 2.598 0 50 DFAA COCc1nc(C)cc(N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 425280941 LDQZEXRDLUHYKL-KRWDZBQOSA-N 317.433 2.717 0 50 DFAA Cc1cc(S(=O)(=O)N2CCSCC2)c(C)cc1Cl 6527739 NPQINGQIOOWKDV-UHFFFAOYSA-N 305.852 2.694 0 50 DFAA Cc1cc[nH]c1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 280507927 AIORAZZEIWGIDN-RISCZKNCSA-N 306.312 2.549 0 50 DFAA C[C@H]1CN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C[C@H](C)O1 130286021 OAZRBJZDCZXFAR-UWVGGRQHSA-N 321.327 2.604 0 50 DFAA CCc1noc([C@@H]2CCCN2C(=O)c2ccc(C(C)=O)s2)n1 214990070 ZJMFUAIXGLSIAY-JTQLQIEISA-N 319.386 2.873 0 50 DFAA C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 331756370 HUEBGRNZBACJJJ-TZMCWYRMSA-N 315.417 2.672 0 50 DFAA CC(C)(C)c1cnc(NC(=O)N[C@H]2CCc3n[nH]cc3C2)s1 332179270 RQSNCHATMAVPCL-JTQLQIEISA-N 319.434 2.843 0 50 DFAA COc1ccccc1-c1nc(NC(=O)[C@@H]2CCC(F)(F)C2)n[nH]1 332142146 FHDBREZHZMZHDK-SECBINFHSA-N 322.315 2.854 0 50 DFAA CC(=O)N1CC[C@@H](Nc2ncnc(N)c2Cl)c2ccccc21 372976626 GKXCGVJUTPZDDA-LLVKDONJSA-N 317.780 2.622 0 50 DFAA CC(=O)c1ccc2c(c1)CCN(Cc1noc(C3CC3)n1)CC2 378262310 DLEJXXGHPJUETK-UHFFFAOYSA-N 311.385 2.750 0 50 DFAA CC(C)CN1CCO[C@@H](CNc2nc3cc(F)ccc3o2)C1 172238102 DZUKYPVVDIKFOH-ZDUSSCGKSA-N 307.369 2.736 0 50 DFAA CCNC(=O)c1ccc(C)c(NC(=O)COc2ccccc2)c1 44689437 KLOUGICDDBGJGJ-UHFFFAOYSA-N 312.369 2.762 0 50 DFAA NC1CC(c2cc(NCCc3ccc(O)cc3)nc(C3CC3)n2)C1 223566307 CRGICXXWPRVDOQ-UHFFFAOYSA-N 324.428 2.919 0 50 DFAA CCCCCc1nnc(NC(=O)[C@@H](N)c2ccccc2)s1 236692200 IIJBYGYRNMMYHK-ZDUSSCGKSA-N 304.419 2.909 0 50 DFAA Cc1nc2ccccc2nc1CN1CCO[C@H](c2cccnc2)C1 97574904 NBGHDDPHGOREON-IBGZPJMESA-N 320.396 2.907 0 50 DFAA CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H](CNC)C1 178983787 RJATYYXGALODIX-IGXNXKSNSA-N 316.445 2.945 0 50 DFAA c1ccc(CN2CCCN(Cc3nc4ccccc4[nH]3)CC2)nc1 97515192 QCNHHPMAVPJONO-UHFFFAOYSA-N 321.428 2.666 0 50 DFAA CC(C)[C@@H]1C=CCN1C(=O)c1cnc(-c2cccs2)nc1O 91817817 VCHBTGYEFKLTHH-LBPRGKRZSA-N 315.398 2.947 0 50 DFAA CN1CCC[C@@H](C(=O)N(C)Cc2csc3ccccc23)C1=O 294314242 CXPPJPQVQHAYNA-CQSZACIVSA-N 316.426 2.728 0 50 DFAA COCCN1C[C@H](Cc2cc(C)c3ccc(F)cc3n2)CC1=O 244574834 CSDNCBBZHXRDHW-CYBMUJFWSA-N 316.376 2.720 0 50 DFAA CCc1nc(C)c(CNC(=O)c2c(C3CC3)n[nH]c2C)s1 534656047 OTCATIDTQDCHSI-UHFFFAOYSA-N 304.419 2.853 0 50 DFAA Cc1nc(C)c(CSc2nnc([C@@H]3CCCNC3)n2C)s1 534656118 QVGDQMKTOMRUMQ-LLVKDONJSA-N 323.491 2.648 0 50 DFAA CCc1csc(CCNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)n1 299789950 AQUCFBCYNGHIEX-JTQLQIEISA-N 318.446 2.526 0 50 DFAA CCc1nc(C)cc(NCCn2cncc2-c2ccccc2)n1 585139163 ADJPSEMMOKCHSQ-UHFFFAOYSA-N 307.401 3.323 0 50 DFAA C[C@H](NC1CSCCSC1)c1ccc(-n2cncn2)cc1 584901939 CZSGFFHFWJSPJA-LBPRGKRZSA-N 320.487 2.767 0 50 DFAA CN(C[C@H]1CCCC[C@H]1O)C(=O)c1occc1Br 408143354 UZRWSGFKJGDBQR-MWLCHTKSSA-N 316.195 2.665 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCCC(=O)N2)ccc1C(F)(F)F 270834954 SXCNFLJZSVNEBD-NSHDSACASA-N 300.280 2.621 0 50 DFAA Cn1cncc1CC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 185912386 XTDUJWKJXFXNGA-AWEZNQCLSA-N 319.792 2.646 0 50 DFAA CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C)cc1 170616596 UKZCWVYGLCJCDD-CJNGLKHVSA-N 320.433 2.705 0 50 DFAA COc1ccc([C@@H](C)CCNC(=O)c2cncc(O)c2)cc1 170644880 DFUFWQGPBBQVTC-LBPRGKRZSA-N 300.358 2.719 0 50 DFAA CC(C)N(CC(=O)NC1CCCCCCC1)c1cnn(C)c1 170620922 STLIJXAMCOYLDZ-UHFFFAOYSA-N 306.454 2.864 0 50 DFAA CCNC(=O)c1ccc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)nc1 170604211 CFRRIINQMCFOIE-BDJLRTHQSA-N 317.364 2.504 0 50 DFAA Cc1noc(-c2ccccc2)c1C(=O)N1CC[C@@](C)(C(=O)O)C1 191048081 XJCXTKVAFBRJCL-QGZVFWFLSA-N 314.341 2.587 0 50 DFAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1nc(C2CC2)nn1C 648289534 RGCDEANJSIMNMR-CZUORRHYSA-N 324.428 2.640 0 50 DFAA Cc1cnccc1CCNC[C@H](C)CNC(=O)OC(C)(C)C 585116942 MWPGLPJQHASOJC-ZDUSSCGKSA-N 307.438 2.683 0 50 DFAA Cc1c(-c2ccc(Cl)cc2)nnn1C[C@H](O)COCC(C)C 585138245 XXINYYPOOGIYNU-HNNXBMFYSA-N 323.824 2.940 0 50 DFAA CC(C)=CCN1CCCN(C(=O)c2ccncc2Cl)CC1 982022833 ZCUKTMHWGNINBR-UHFFFAOYSA-N 307.825 2.849 0 50 DFAA O=S(=O)(CCCCC(F)(F)F)NCCNc1ccccc1 1615588230 ZNMPVDNGMFIARY-UHFFFAOYSA-N 324.368 2.751 0 50 DFAA CSCC[C@H](N)C(=O)Nc1ccccc1CN1CCCCC1 1506397227 AERNOIPPDGTQCK-HNNXBMFYSA-N 321.490 2.691 0 50 DFAA Cc1ccc(OCCN(C)CC[C@@H]2COCCO2)c(Cl)c1 1775981854 XFAYCBQDUJAHIK-CQSZACIVSA-N 313.825 2.765 0 50 DFAA CN(C)CCCCNC(=O)c1cc(O)c2cc(Cl)ccc2n1 5397644 NLPRALSVLOTTSI-UHFFFAOYSA-N 321.808 2.665 0 50 DFAA CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 16579981 NDYBVOMGIVNHTA-OAHLLOKOSA-N 304.434 2.753 0 50 DFAA COc1cc2c(cc1OC)C(c1ccccc1C(=O)O)=NCC2 19798166 BIUGNNOJJWDZPW-UHFFFAOYSA-N 311.337 2.796 0 50 DFAA O=C(NC1(c2cc(F)ccc2F)CC1)[C@H]1CCn2nccc2C1 1857740215 DSVNMQAUFVYVOK-NSHDSACASA-N 317.339 2.529 0 50 DFAA CCN1CC[C@H](N(C)C(=O)CC[C@H](N)c2ccccc2)[C@@H](C)C1 408525478 BVOLCGBVDLOIJH-SZMVWBNQSA-N 317.477 2.655 0 50 DFAA C[C@H](NC(=O)Cc1ccsc1)c1ccc(OCC(=O)O)cc1 263118761 SBNOQSCRUSIQLV-NSHDSACASA-N 319.382 2.631 0 50 DFAA COc1ccccc1[C@H](O)CN[C@@H](C1CCC1)[C@@H]1CCOC1 864097459 WJKNNRPQIGZYCF-KYJSFNMBSA-N 305.418 2.523 0 50 DFAA COc1cc(S(=O)(=O)N(C)c2cc(C)ccc2C)sn1 952882427 VKVPXRMSYVWBAU-UHFFFAOYSA-N 312.416 2.594 0 50 DFAA Cc1cc(N2CC[C@H](N)[C@@H](C)C2)nc(N(C)c2ccccc2)n1 1875282287 WIJRPZFCVKXCAB-BBRMVZONSA-N 311.433 2.726 0 50 DFAA Cn1[nH]c([C@@H]2CCCN(Cc3cccc4ccccc34)C2)nc1=N 1875338474 YUDFHSZBOXDSIW-MRXNPFEDSA-N 321.428 2.760 0 50 DFAA CC1(C)CCN(c2cc(C3CC3)nc(C3CC3)n2)CC[S@]1=O 894091480 DVNLBAOEFNMJCH-JOCHJYFZSA-N 319.474 2.969 0 50 DFAA Cn1ncc(CNc2cccc([C@H]3CCC(=O)N3)c2)c1C1CC1 894920389 CSIPXTQLQDQBPG-MRXNPFEDSA-N 310.401 2.861 0 50 DFAA O=C(NCC1(O)CCCCC1)c1c(Cl)cncc1Cl 328590526 GTNMPWUIYXQXKJ-UHFFFAOYSA-N 303.189 2.813 0 50 DFAA O=C(O)c1cccc(CS(=O)(=O)N[C@H]2CCC=CCCC2)c1 2325765164 NMCYYXPNXZYGQZ-HNNXBMFYSA-N 323.414 2.693 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)Cc3csnn3)cc2)c1C 2325824921 VLQLQLSBNLRIRP-UHFFFAOYSA-N 313.386 2.522 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 103776 QGRLIADDLJHMLU-BMIGLBTASA-N 318.373 2.665 0 50 DFAA O=c1c(Br)c(N2CCCC2)cnn1-c1ccccc1 168923 XFJJNOCAWMYKKE-UHFFFAOYSA-N 320.190 2.595 0 50 DFAA COc1cccc(C(=O)Sc2nnnn2-c2ccccc2)c1 277736 DBQLVPQINLSXNS-UHFFFAOYSA-N 312.354 2.603 0 50 DFAA Cc1c(Cl)cccc1NC(=S)N1CCC(C(N)=O)CC1 306609 ZMDUAXUMQWUKIW-UHFFFAOYSA-N 311.838 2.543 0 50 DFAA COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 527378 ZRACGVDMTMNVBB-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA CCOc1ccccc1NC(=O)C(=O)NCc1ccc(C)cc1 2960997 UQFIZEVYKZGYJS-UHFFFAOYSA-N 312.369 2.649 0 50 DFAA COc1cccc(OC)c1OCCCCNC[C@H]1CCCO1 3003534 WSPMWFLPTCNTTO-CQSZACIVSA-N 309.406 2.631 0 50 DFAA C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 3082765 WYFYJIYTOARNTF-AWEZNQCLSA-N 312.369 2.618 0 50 DFAA CN(Cc1ccccc1)[C@]1(O)C(=O)Nc2ccc(Cl)cc21 4502665 RHCPYQAZTHAJEB-MRXNPFEDSA-N 302.761 2.569 0 50 DFAA COc1ccc(C(=O)NCCCN2CCCCCC2)cc1OC 10111083 CNCMABSXXPZVKP-UHFFFAOYSA-N 320.433 2.700 0 50 DFAA CS[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 221814657 IHOMRUFVQIAWJV-JHJVBQTASA-N 308.451 2.583 0 50 DFAA COCc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)o1 225539333 WTYOVCWQTRCUHI-UKRRQHHQSA-N 319.332 2.513 0 50 DFAA Cc1cc(-c2nccn2CCN2CCCC[C@@H]2CO)oc1C 67856159 IIHBQPHXFJHMSN-OAHLLOKOSA-N 303.406 2.607 0 50 DFAA CC[C@H](C)NC(=O)CN1CCC[C@H]1Cc1ccccc1OC 250216495 VCDRZDQBGHASIH-HOCLYGCPSA-N 304.434 2.617 0 50 DFAA COc1ccc(CN(C)CC2(CO)CCOCC2)c(C)c1C 65376149 QQAUDQJWPZEIQT-UHFFFAOYSA-N 307.434 2.533 0 50 DFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@H](C)N 67770071 VMULVGGDSCNQRV-AWEZNQCLSA-N 313.401 2.844 0 50 DFAA Cc1c(CN(C)C(=O)CCN2CCCCO2)[nH]c2ccccc12 67654855 IAFVPLKUMQJZFF-UHFFFAOYSA-N 315.417 2.852 0 50 DFAA O[C@@H]([C@@H]1CCCCN1Cc1nc2ccccc2[nH]1)C(F)(F)F 353744644 GWPXNEOADNIKMZ-JSGCOSHPSA-N 313.323 2.841 0 50 DFAA CC(=O)c1cn(CC(=O)NCc2ccccn2)c2ccccc12 31820316 VPCQOGNBFLUDFX-UHFFFAOYSA-N 307.353 2.555 0 50 DFAA CCCc1nnc(C(=O)N(C)Cc2cccc3cccnc23)o1 71746803 MWWRIXLHHJAKRQ-UHFFFAOYSA-N 310.357 2.843 0 50 DFAA CC(C)COc1cccc(CN2CCC[C@@](O)(CN(C)C)C2)c1 72463618 WIEVBCSCBFUNAN-LJQANCHMSA-N 320.477 2.610 0 50 DFAA CCOc1ccc(CN2CCCC[C@H]2CCOC)cc1CO 215293711 VYNPAPNHAMWLJZ-KRWDZBQOSA-N 307.434 2.969 0 50 DFAA Cc1cccc(NC(=O)CN2CCC[C@@H](c3ccncn3)C2)c1C 363014370 JLDGIMBQMKVEFN-MRXNPFEDSA-N 324.428 2.912 0 50 DFAA Cc1ncccc1C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 171818841 UAAJFNUWNCDZQM-CQSZACIVSA-N 313.405 2.582 0 50 DFAA CCN(C(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1cccnc1C 332590300 JEEPPOOXPBDBDU-GUYCJALGSA-N 312.369 2.971 0 50 DFAA CCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 236901538 XKLZQYQLIKENOA-CYBMUJFWSA-N 305.374 2.802 0 50 DFAA CC(C)CN1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72424475 DDMXUSPGUDMFOQ-MRXNPFEDSA-N 319.497 2.636 0 50 DFAA CC(C)n1cc(C(=O)NCc2ccc3c(c2)OCCCO3)cn1 77565680 RVOQINQSQNRSGQ-UHFFFAOYSA-N 315.373 2.555 0 50 DFAA Cn1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)ccc1=O 77489278 BYJLHHYJLWKXAV-MRXNPFEDSA-N 314.360 2.892 0 50 DFAA C[C@@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[S@@](=O)C1 242047815 VQIWKSKLQPIARW-NSPYISDASA-N 300.493 2.641 0 50 DFAA CCOC(=O)c1ccc(NC(=O)Cc2ccsc2)c(O)c1 129609810 NQGSYDKWWNBGDS-UHFFFAOYSA-N 305.355 2.812 0 50 DFAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ccccc1N1CCOCC1 77287200 BLRJLHCTLUPUDJ-ZOBUZTSGSA-N 314.429 2.832 0 50 DFAA 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CC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 5392323 SHUPWZPSTYUHMI-UHFFFAOYSA-N 323.396 2.607 0 50 DFAA CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3)c(=O)[nH]c2C1 13957712 JUPBJBHVJOQWGW-UHFFFAOYSA-N 310.353 2.782 0 50 DFAA COc1cnc(C)cc1C(=O)N1CCC[C@@H]1c1cc(C)no1 1857673376 QXWDIHUSQOFXSL-CYBMUJFWSA-N 301.346 2.672 0 50 DFAA CC(C)[C@@H]1CN2C[C@H](Nc3cnc4ccccc4n3)C[C@H]2CO1 1857735605 GSPBOARHHCHDAT-KEYYUXOJSA-N 312.417 2.539 0 50 DFAA Cc1noc(C)c1[C@H](C)NC(=O)c1ncccc1Br 225409353 XAURQKLPGGVRID-ZETCQYMHSA-N 324.178 2.940 0 50 DFAA COc1ccccc1-c1nnc(CC(=O)N[C@H](C)CC(C)C)o1 623173650 DKVRZVGAUJPNSN-GFCCVEGCSA-N 317.389 2.839 0 50 DFAA CO[C@@H]1CCC[C@H](OC(=O)C[C@@H](C)NC(=O)C2CCCC2)C1 229579485 ZFIBESOQZBDTNW-YUELXQCFSA-N 311.422 2.572 0 50 DFAA COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1 8699250 UMSPNQKPXWOGLL-KGLIPLIRSA-N 321.373 2.730 0 50 DFAA in-vitro O=C(O)CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 238177434 XCWSOAHVHMIKCY-ZJUUUORDSA-N 302.157 2.688 0 50 DFAA 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O=C(c1cnc2c(F)ccc(F)c2c1)N1CC[C@H]2COCC[C@@H]21 2325764902 WNPPDMMOJUPTAH-BONVTDFDSA-N 318.323 2.764 0 50 DFAA CCc1c[nH]c(C)cc1=NC(=O)NCc1nn(C)c2ccccc12 2325807720 OOBQDDCEEQPOBF-UHFFFAOYSA-N 323.400 2.583 0 50 DFAA Cc1n[nH]cc1CNC(=O)Cc1cc(Cl)sc1Cl 2325810772 DDRJRRZFFRYSQB-UHFFFAOYSA-N 304.202 2.945 0 50 DFAA NC(=O)c1ccc(NCc2ccnc3[nH]ccc23)cc1Cl 2325854361 ZVEGCVQCAUKCNV-UHFFFAOYSA-N 300.749 2.927 0 50 DFAA CN(CCc1ccccc1F)C(=O)c1cnc2sccn12 2325868985 UDDXHRROCDENNA-UHFFFAOYSA-N 303.362 2.850 0 50 DFAA O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1 468415 DLYKVLFRLGQKRC-UHFFFAOYSA-N 302.717 2.887 0 50 DFAA COc1ccc(NC(=O)N[C@@H](C)c2ccncc2)cc1OC 612068 KKKDEIYPBDDQSL-NSHDSACASA-N 301.346 2.982 0 50 DFAA C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2555076 QJYMOTAFFJDTAG-YPMHNXCESA-N 309.362 2.570 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cn3ccccc3n2)c1 225728797 KAPIVUUDACDPIY-WMZOPIPTSA-N 323.396 2.651 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1C 9698816 LWSOKCBBYSRFTQ-CQSZACIVSA-N 312.369 2.566 0 50 DFAA Cc1cc(=O)n2nc(SCc3ccccc3Cl)nc2[nH]1 100133738 LLMVOSJVSSRYHF-UHFFFAOYSA-N 306.778 2.672 0 50 DFAA O=C(NCCc1cccc(Cl)c1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 103985388 LBSALAHKZWDRNS-NZBPQXDJSA-N 321.804 2.746 0 50 DFAA Cc1ccsc1CNC(=O)C[C@H]1NC(=O)c2ccccc21 65489391 HQFVOPFPGANNPF-CYBMUJFWSA-N 300.383 2.548 0 50 DFAA Clc1ccc(CN2CCCC[C@@H]2CCN2CCOCC2)cn1 67820535 PUDSIVMKGCZKNL-MRXNPFEDSA-N 323.868 2.812 0 50 DFAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCNC2)cc1 66152657 BWSVIIZVZSPJAT-CYBMUJFWSA-N 303.406 2.609 0 50 DFAA COc1ccccc1[C@H]1CCCN1c1cc(CCN)nc(C)n1 67690905 HWXFGPOPSUJDCA-MRXNPFEDSA-N 312.417 2.636 0 50 DFAA O=C(Nc1ccc2cn[nH]c2c1)c1cc2ccccc2oc1=O 1427093 YVXDDSYBDJFMIR-UHFFFAOYSA-N 305.293 2.922 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(OC)c1OC 428298127 HUGADMYILVWIHW-KBPBESRZSA-N 307.390 2.525 0 50 DFAA CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(CC)cc1 252536313 IDMKRMYSZVDTQN-MRXNPFEDSA-N 302.418 2.656 0 50 DFAA Cc1cccc(NCc2ccc(S(C)(=O)=O)cc2)c1C(=N)O 328590539 KTMSHASLOYIRPV-UHFFFAOYSA-N 318.398 2.894 0 50 DFAA CCCc1ncncc1C(=O)N(C)CC[C@H](O)c1ccccc1 216187618 WOEHWYHWUPVHDI-KRWDZBQOSA-N 313.401 2.625 0 50 DFAA Fc1ccccc1CO[C@H]1CCCN(CCn2cccn2)C1 253421119 QBWWGTZRMZXWSZ-INIZCTEOSA-N 303.381 2.703 0 50 DFAA O=C(Cn1ncc2ccccc21)N1CCC[C@@H]1c1ccccn1 214968295 DXUKCYWWSQXHKK-QGZVFWFLSA-N 306.369 2.795 0 50 DFAA O=C(C1CCC(O)CC1)N1CCC[C@H]1COc1ccc(F)cc1 374560638 YMJYIQPVFXTVBO-SIWZUTFBSA-N 321.392 2.747 0 50 DFAA CC(C)(C)[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)c2ccccc21 331925497 HXNCIYJJNYBIJE-AWEZNQCLSA-N 323.396 2.971 0 50 DFAA COc1ccc([C@@]2(C(=O)NCc3ccon3)CC2(C)C)cc1 215238870 NAAQVRMLGDDEKQ-QGZVFWFLSA-N 300.358 2.667 0 50 DFAA CCOc1ccccc1/C=C/C(=O)N1CCC[C@H](CNC)C1 236890207 GLSUSTQOWFQDTI-AUECHBEKSA-N 302.418 2.557 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCNCC1 237168558 MJDQHWSBDPTFSO-UHFFFAOYSA-N 316.323 2.543 0 50 DFAA CCc1cc(NC(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)n(C)n1 333927823 WSXIBXBCBGGGPQ-HNNXBMFYSA-N 320.437 2.651 0 50 DFAA 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JHMRYKNRPRSVLP-UHFFFAOYSA-N 310.103 2.993 0 50 DFAA CC(C)Oc1cc(O)cc(C(=O)N[C@H]2CCCN3CCC[C@@H]23)c1 1772707354 QJAFBSMKHOKHSC-IRXDYDNUSA-N 318.417 2.536 0 50 DFAA COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1OC 5388583 CFUOLQVSAWKKAR-UHFFFAOYSA-N 322.364 2.976 0 50 DFAA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2=O 19323106 MTTKTWXJJTWGAO-UHFFFAOYSA-N 302.418 2.777 0 50 DFAA biogenic CCNC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169760304 XXCISUHXXVFZGM-AWEZNQCLSA-N 305.765 2.558 0 50 DFAA Cc1cccc(-c2nccn2C2CCN(c3ncccn3)CC2)n1 1857670412 MMPMEWHOFWVRBC-UHFFFAOYSA-N 320.400 2.885 0 50 DFAA CC(C)CCN1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(N)=O)C2 1857700300 ROOSKRJOORVVPP-YQVWRLOYSA-N 300.446 2.984 0 50 DFAA COc1cc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)ccc1C(=O)O 630184560 OWUVPEIHGQJKEJ-USXIJHARSA-N 323.348 2.918 0 50 DFAA CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)on1 236902902 HBNAIZSXADYODD-RYUDHWBXSA-N 308.378 2.905 0 50 DFAA C[C@@H]1CCN(C(=O)c2csc(CN)n2)[C@H]1c1cccc(F)c1 237376434 DDVQZPOQKQIVNG-MEBBXXQBSA-N 319.405 2.964 0 50 DFAA CCCOc1ccc(NC(=O)CSc2nnc(N)s2)cc1 15019387 JDUZCKPNZSOSOL-UHFFFAOYSA-N 324.431 2.640 0 50 DFAA C[C@]1(CCF)NC(=O)N(c2cnc(-c3ccccc3)s2)C1=O 900243186 ZWFVPDUSIWBISI-OAHLLOKOSA-N 319.361 2.985 0 50 DFAA c1cn2nc(C3CCC3)cc2c(NC[C@]23CCC[C@H]2NCC3)n1 900357838 CYLQUCZSPMSQDP-SJLPKXTDSA-N 311.433 2.941 0 50 DFAA C[C@@H](C(=O)N[C@]1(c2ccccc2)C[C@H](O)C1)c1cccc(O)c1 829145201 QCCWIDHMXCBMFY-XVSDVWIESA-N 311.381 2.662 0 50 DFAA CCc1nc(Cn2nc(C)c([C@@H]3COCCN3C)c2C)cs1 852963188 XLTRZUWANKVESJ-AWEZNQCLSA-N 320.462 2.570 0 50 DFAA COc1ccc2c(c1)C[C@@H](C)N2C(=O)CC1CCN(OC)CC1 1875272569 IMTNVJLAHJQVEI-CYBMUJFWSA-N 318.417 2.636 0 50 DFAA NC(=O)C1(NC(=O)c2cc3ccccc3cc2F)CCCC1 888978137 CRQMGNVCEQVCPO-UHFFFAOYSA-N 300.333 2.507 0 50 DFAA CO[C@@H](CNC(=O)c1cc(C)c(Br)o1)C(C)C 933909891 XCHHVUSDFHENBS-JTQLQIEISA-N 304.184 2.751 0 50 DFAA O=S(=O)(C[C@@H]1CC12CC2)NC1CCC2(CC1)CC2(F)F 2325776353 CDFSZFJMFVFGHR-ZBOXLXRLSA-N 305.390 2.674 0 50 DFAA O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1 176362 UNXITVZEJITWQA-UHFFFAOYSA-N 309.413 2.837 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCN(c2ccccn2)CC1 235805 WVLRESJNSPOMBE-UHFFFAOYSA-N 300.337 2.575 0 50 DFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1 452008 KBHZYUXTUBJGQF-UHFFFAOYSA-N 314.366 2.600 0 50 DFAA CC[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 467407 YDURFHBADDBPGU-AWEZNQCLSA-N 300.383 2.876 0 50 DFAA Cn1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1 205054 ZGMXHKPNDDOFKP-UHFFFAOYSA-N 319.364 2.974 0 50 DFAA O=C(Cc1cccc2ccccc12)N1CCC[C@@]12CCCNC2=O 2356147925 YWIHUCZVIVMHDS-HXUWFJFHSA-N 322.408 2.654 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(N)=O 2760935 WNDVWARXHDXAJK-JTQLQIEISA-N 318.760 2.845 0 50 DFAA CC(C)N(C)CCOC(=O)c1cccc(Br)c1 4664780 RBKNJLHSWBRHFH-UHFFFAOYSA-N 300.196 2.946 0 50 DFAA CCCNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 6204501 QKGFSUSMFYSYQW-UHFFFAOYSA-N 313.382 2.563 0 50 DFAA CCCCn1c(=O)c(C(=O)NC(C)C)c(O)c2ccccc21 100667877 UOBRZRYGPBMFOQ-UHFFFAOYSA-N 302.374 2.645 0 50 DFAA Cc1cc(CNC(=O)CCC(=O)N(C)C)c2[nH]c(C)c(C)c2c1 12074475 WXWAHFAXBRFMMP-UHFFFAOYSA-N 315.417 2.578 0 50 DFAA O=C(Nc1ncc(C(F)(F)F)s1)N1CC[C@@]2(CCOC2)C1 225679117 BFXDERKYKBGGGD-LLVKDONJSA-N 321.324 2.806 0 50 DFAA COCCN(Cc1scnc1C)C(=O)c1ccc(F)cc1 225618523 OBUPBDFGPTYMJN-UHFFFAOYSA-N 308.378 2.879 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCCN2)n(Cc2ccccc2Cl)n1 55108984 NVQHYNHXBPEKEF-CQSZACIVSA-N 318.808 2.584 0 50 DFAA CCCc1nc(C)cc(NCc2nc(-c3ccncc3)n[nH]2)n1 65404643 URICKDKLJBLHFN-UHFFFAOYSA-N 309.377 2.530 0 50 DFAA Fc1cccc(Cl)c1CN1CCN(c2ncccn2)CC1 23281141 JPYSGWZWYAPJNZ-UHFFFAOYSA-N 306.772 2.591 0 50 DFAA Cc1cc(C[C@H](C)Nc2cc(C)nc(-c3cccnc3)n2)[nH]n1 65434347 HIHMTWXVEHJJHV-NSHDSACASA-N 308.389 2.922 0 50 DFAA Cc1ccc2occ(CN3CCN4CCC[C@H]4[C@@H]3C)c(=O)c2c1 22078384 QDQPHCMTLITCIU-YOEHRIQHSA-N 312.413 2.770 0 50 DFAA COc1ccsc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250409009 WQYKGVIXUYSJHT-AXFHLTTASA-N 309.387 2.615 0 50 DFAA Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 33270219 DJRJODWPDAJXMM-AWEZNQCLSA-N 324.377 2.956 0 50 DFAA O=C(O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1 3881287 KFSMKLIYYYGIKW-UHFFFAOYSA-N 317.775 2.901 0 50 DFAA in-vitro C[C@@H]1CC2(CCNCC2)CN1Cc1cnc2ccc(Cl)cn12 424381174 QPJJXRYQUWZEMH-CYBMUJFWSA-N 318.852 2.952 0 50 DFAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N[C@H]1CCCCC[C@H]1OC 252515573 LROUKZASBSIMHF-CAOSSQGBSA-N 312.454 2.981 0 50 DFAA CC[C@@H]1CN(C2CCOCC2)CCC(=O)N1Cc1ccccc1 71750486 DRBCVXISKSVKCB-QGZVFWFLSA-N 316.445 2.679 0 50 DFAA O=C(NCc1ncc[nH]1)c1ccccc1OC(F)(F)C(F)F 218927239 VJXCKXAIDVYYSV-UHFFFAOYSA-N 317.242 2.576 0 50 DFAA CC(C)COC[C@H](C)NC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 252677550 ZCDPAOAQBAPTMV-YJNKXOJESA-N 312.454 2.550 0 50 DFAA CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 212414581 XUFUVCIZFNREBI-UHFFFAOYSA-N 313.239 2.957 0 50 DFAA in-vitro COc1ccc(F)c(-c2nc(CN3CCC(O)CC3)c(C)o2)c1 71714473 DBWVFTXHQCQNJH-UHFFFAOYSA-N 320.364 2.754 0 50 DFAA Cc1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)on1 36562324 MHNBFHOPFODPIY-LBPRGKRZSA-N 302.330 2.793 0 50 DFAA O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CC12CCNCC2 238099722 GDXHNGMNHKUGPC-LLVKDONJSA-N 314.414 2.533 0 50 DFAA COc1ccc(-c2ccncc2)cc1CNCCCC(=O)O 262486107 VKTOIQBJPPRCHP-UHFFFAOYSA-N 300.358 2.712 0 50 DFAA CCOc1cc(/C=C/C(=O)N2CCCO[C@H](C)C2)ccc1OC 368925711 CJWPIQUMHRIEJM-RCQQVGEISA-N 319.401 2.745 0 50 DFAA Cc1cc(C)cc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c1 262015624 WXNZYPUVSJLJTA-CQSZACIVSA-N 315.291 2.783 0 50 DFAA CC1(C)C(C(=O)NC2CCN(Cc3ccncc3)CC2)C1(C)C 174049941 PJMBHCXSZGKTKI-UHFFFAOYSA-N 315.461 2.844 0 50 DFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCc2ccc(F)cc21 299336038 ONXKJVILKBLHPE-SWLSCSKDSA-N 307.365 2.689 0 50 DFAA C[C@H]1C[C@@H](C)C[C@H](CCn2c(-c3cnccn3)noc2=O)C1 240886216 INVSGOSRFSYXFW-ITGUQSILSA-N 302.378 2.756 0 50 DFAA CSc1ncc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cn1 223721978 QPFYLDHUKGGMEK-GFCCVEGCSA-N 317.389 2.967 0 50 DFAA Cc1cnn(CC(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1 607189638 PDLBGMXBTRTHPS-UHFFFAOYSA-N 301.394 2.676 0 50 DFAA CC1(C)CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 339140631 JTEBEKDSVHYSBI-UHFFFAOYSA-N 314.389 2.713 0 50 DFAA CCC1(NC(=O)NCc2nccn2CC(F)(F)F)CCCC1 458243092 BNDMYDATTOQGAU-UHFFFAOYSA-N 318.343 2.967 0 50 DFAA COCc1cnc(NC(=O)N2CCc3sccc3C2)s1 287523357 MHXKEAYFDJZCMW-UHFFFAOYSA-N 309.416 2.941 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)CCc1ccc(F)cc1F 222608691 RNEOXZAHWJANPV-LLVKDONJSA-N 322.359 2.776 0 50 DFAA O=C(N[C@H]1CCc2ccccc21)N1CCC(c2ncon2)CC1 426506556 GHFZQJSCCHCQGQ-HNNXBMFYSA-N 312.373 2.646 0 50 DFAA CC(C)[C@]1(O)CN(C(=O)CCc2ccc(F)c(F)c2)C[C@H]1C 91665068 JUOYFOYFKRXBBL-SJKOYZFVSA-N 311.372 2.763 0 50 DFAA CC(C)N(C)CC(=O)NCc1cc(-c2ccccc2Cl)on1 426372104 OPYMVDSNKSORQY-UHFFFAOYSA-N 321.808 2.951 0 50 DFAA COCc1ccc(C(=O)NCc2cccc(N3CCCC3)c2)o1 96137762 NTODOFDZISBOES-UHFFFAOYSA-N 314.385 2.956 0 50 DFAA FC(F)(F)c1cc(Br)cnc1N1CCOCC1 141844741 TZMAFVUGROWQGB-UHFFFAOYSA-N 311.101 2.700 0 50 DFAA CNC(=O)c1cccc(C[C@@H]2COc3c(cccc3OC)C2)c1 95499271 CERQATRCUMEPCE-AWEZNQCLSA-N 311.381 2.849 0 50 DFAA CN(C)[C@H]1CCc2ccccc2N(Cc2ccc(CO)o2)C1 623284101 WTXAGPZMNSHIQS-HNNXBMFYSA-N 300.402 2.655 0 50 DFAA CCOCc1ccccc1CNC(=O)N1CCC[C@H](CO)CC1 297734052 ZPVLQNOYXKOJIN-HNNXBMFYSA-N 320.433 2.527 0 50 DFAA Cn1ncc(C(F)(F)F)c1CNC(=O)N1CCC[C@H]1C1CC1 624509167 VAFNZWZFPUQSJM-NSHDSACASA-N 316.327 2.523 0 50 DFAA CC[C@@H](CNc1ccc2cccc(OC)c2n1)N1CCOCC1 534584545 SQXFCVFETYXYEB-HNNXBMFYSA-N 315.417 2.766 0 50 DFAA COCc1cccc(S(=O)(=O)Nc2c(C)noc2C2CC2)c1 184909261 YSSGEKSHKDYDGD-UHFFFAOYSA-N 322.386 2.808 0 50 DFAA Cc1ocnc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 823765138 YAYWWRVMVLYTOT-UHFFFAOYSA-N 315.373 2.708 0 50 DFAA C[C@]1(CNc2cc(C(=O)N3CCCCC3)ccn2)CCCO1 828194102 XLHGNKWGSHPPJX-QGZVFWFLSA-N 303.406 2.689 0 50 DFAA C[C@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cn[nH]c1 270278210 LYYIUVOOZBSARS-JSGCOSHPSA-N 316.380 2.884 0 50 DFAA O=C(c1ccc(CN2CCCC2)cc1)N1CCOC[C@@H]1C1CC1 270601841 YDBPLBDNOOGXOY-GOSISDBHSA-N 314.429 2.533 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc3cc[nH]c3c2)cn1 275346161 LYZPNRRNHDOOGL-DOTOQJQBSA-N 324.384 2.644 0 50 DFAA O=C1N[C@@H]([C@H]2CCCOC2)C(=O)N1c1cccc2ccccc12 170091189 ILIOABOYCIPMOQ-BBRMVZONSA-N 310.353 2.691 0 50 DFAA COC(=O)C[C@@](C)(NCc1ccccc1F)c1ccncc1 170086085 XWHLDEKXAAAPQM-QGZVFWFLSA-N 302.349 2.789 0 50 DFAA CC(C)n1ncc2ccc(N3C(=O)[C@@H]4CCCCN4C3=O)cc21 278051202 IKMCIKGQMAQQSR-AWEZNQCLSA-N 312.373 2.938 0 50 DFAA COCc1nc(O)cc(N2CCC[C@H]2c2ccc(F)cc2F)n1 894116689 JNZXZOJCSWNBKP-ZDUSSCGKSA-N 321.327 2.948 0 50 DFAA CCO[C@@H]1C[C@H](N(C)Cc2cn(C(C)(C)C)nn2)C12CCC2 191446978 MZEPZILUERXEAY-LSDHHAIUSA-N 306.454 2.813 0 50 DFAA CCOC(=O)c1n[nH]c([C@@H](CC(C)C)N[C@@H](C)CC2CC2)n1 585116672 FAYFDGRHSOYELA-WCQYABFASA-N 308.426 2.847 0 50 DFAA Fc1ccc(N2CCC(NCC3CCOCC3)CC2)cc1F 1506418676 UXNLYUGKCPWRBF-UHFFFAOYSA-N 310.388 2.950 0 50 DFAA CCc1nn(C)c(NC(=O)c2ccc(N(C)C)cc2)c1CC 1529133767 GSAKICJXKAZLKN-UHFFFAOYSA-N 300.406 2.863 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)C[C@H](C)N1CCCCCC1 1529118503 LNJCDXVKVRQOSA-ZDUSSCGKSA-N 306.454 2.884 0 50 DFAA COc1ccc(C(=O)O)cc1CN1CCC[C@@]2(CCC[C@H]2O)C1 1704337618 BUBZPCILALGRIR-AEFFLSMTSA-N 319.401 2.520 0 50 DFAA Fc1cnc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1 1704343939 LMKCDBHDULYQIW-CXAGYDPISA-N 324.359 2.834 0 50 DFAA N[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Br)C1 158417841 DBXXCQHEFGEOFO-SECBINFHSA-N 317.614 2.666 0 50 DFAA Cc1cc(CC(=O)NCCCc2c(C)noc2C)cc(C)n1 1775982633 BRBKNNWZJYZSAP-UHFFFAOYSA-N 301.390 2.595 0 50 DFAA O=C1CCCN1c1cccc(NS(=O)(=O)c2ccccc2)c1 5329429 NODPWUVKGBLVMN-UHFFFAOYSA-N 316.382 2.614 0 50 DFAA O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 5689502 YTTMBFUCBSRISE-UHFFFAOYSA-N 314.360 2.844 0 50 DFAA COc1ccccc1CCCNC(=O)C[C@@H]1CCCCN1C 12191950 JMGDYQBRZOPLMX-INIZCTEOSA-N 304.434 2.618 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2O)c(C)c1 16652470 OSSUVGDRZHZPDT-GJZGRUSLSA-N 311.447 2.536 0 50 DFAA COc1ccc([C@H](C)CC(=O)N2CCC(C(=O)O)CC2)cc1 237235147 FALZSYMACOAMBG-GFCCVEGCSA-N 305.374 2.512 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)nn1C 133170946 IKIBJDKQBJYYKX-MRXNPFEDSA-N 312.417 2.722 0 50 DFAA O=C(NCc1ccn(Cc2ccccc2)n1)N1C[C@H]2CCC[C@@H]2C1 252480495 CBACDNZCBNUJPI-IAGOWNOFSA-N 324.428 2.873 0 50 DFAA Cc1nc(C(C)C)oc1C(=O)N1CCc2nc[nH]c2C12CCC2 829066218 PERFETRRGUROSM-UHFFFAOYSA-N 314.389 2.907 0 50 DFAA COC(=O)/C=C/CCNC(=O)Cc1c(C)[nH]c2ccc(C)cc12 1875312204 WUXRNSUDRFFONV-GQCTYLIASA-N 314.385 2.563 0 50 DFAA C[C@H](Sc1nnnn1[C@H]1CCOC1)c1nc2ccccc2o1 2325772603 DWZJUNWPUAHLEJ-UWVGGRQHSA-N 317.374 2.629 0 50 DFAA CN(C)CCc1cccc(-c2nc(-c3cncs3)no2)c1 2325777476 FPGDWTMSCNMRQU-UHFFFAOYSA-N 300.387 2.964 0 50 DFAA O=C(O)CC[C@H]1C[C@H](NC(=O)c2cnc3ccsc3c2)C1 2325798887 HVTCWTWMGSBZQC-HOMQSWHASA-N 304.371 2.670 0 50 DFAA CCc1nc2ccccc2cc1C(=O)N1CC2(CCC2)[C@@H]1C(=O)O 2325803331 ARMDZMULONYAPR-INIZCTEOSA-N 324.380 2.877 0 50 DFAA COc1cc(C(=O)Oc2ccc(C=O)cc2)cc(OC)c1OC 274252 GYFRVOXKAMQGEA-UHFFFAOYSA-N 316.309 2.744 0 50 DFAA CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1ccc(OC)cc1 358525 BVGGNNAYEMADKF-AWEZNQCLSA-N 320.414 2.896 0 50 DFAA O=C(OCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 457423 FFPTUNHKEQKODI-UHFFFAOYSA-N 300.266 2.501 0 50 DFAA biogenic O=C(CCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 2894564 XKBMZEXPNLIWHL-UHFFFAOYSA-N 313.291 2.659 0 50 DFAA Cc1ccc(CN(CCO)C(=O)c2ccc3ccccn23)s1 2356167033 RQMJPKLNAMVBGE-UHFFFAOYSA-N 314.410 2.944 0 50 DFAA CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 3130034 QFEMKTUNQQGBNQ-UHFFFAOYSA-N 305.355 2.721 0 50 DFAA CCN1CCC(NC2CCN(Cc3ccccc3)CC2)CC1 3683619 FCNOVTQGQFZVAA-UHFFFAOYSA-N 301.478 2.725 0 50 DFAA CCCN1CCC(N2CCN(c3ccccc3OC)CC2)CC1 4981289 PNUMRTFMOWKRRT-UHFFFAOYSA-N 317.477 2.692 0 50 DFAA Cc1ccc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 7595312 RTOPCKINMVTPTA-UHFFFAOYSA-N 312.369 2.714 0 50 DFAA C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NC[C@H]1CCCO1 248535331 XSRDJAYFBUKDND-SWLSCSKDSA-N 310.825 2.628 0 50 DFAA Cc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 59740033 OWVOIDPDGFJGIA-CYBMUJFWSA-N 303.406 2.613 0 50 DFAA Cc1ccccc1NC(=O)C[C@@H]1C(=O)N=C2Nc3ccccc3N21 20103309 UYZVMAIFPRBEOP-OAHLLOKOSA-N 320.352 2.521 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1 34957190 HJWKBTRUMZHSNZ-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA COc1ccc2c(ccn2CC(=O)NC2Cc3ccccc3C2)c1 20730483 PTEAVWQOYLJNHG-UHFFFAOYSA-N 320.392 2.934 0 50 DFAA CC[C@H](C(=O)N(C)C)n1cc(C)c(-c2ccccc2OC)n1 60203508 WYHHHLAQGOOIMU-CQSZACIVSA-N 301.390 2.906 0 50 DFAA CC(C)N(Cc1nccn1C)C(=O)Cc1ccc(O)c(Cl)c1 67673139 QLIMHEONCJMTSO-UHFFFAOYSA-N 321.808 2.759 0 50 DFAA Cc1nc2c(N(CCCO)[C@H](C)c3ccccc3)ncnc2o1 63847442 NKFUESFGKCRTFD-GFCCVEGCSA-N 312.373 2.876 0 50 DFAA COC(=O)C[C@H](c1ccc(O)cc1)N1Cc2ccccc2C1=O 1404065 WUNRZZZAOYCCPE-MRXNPFEDSA-N 311.337 2.652 0 50 DFAA CCCc1nc(N(C)Cc2ncccc2C)c2cnn(C)c2n1 72168234 YNXOGPHOWNEXBQ-UHFFFAOYSA-N 310.405 2.656 0 50 DFAA CCN(Cc1cc2ccccc2n(C)c1=O)C[C@@H]1CCCO1 71747365 LQUZDMDHJXWREP-INIZCTEOSA-N 300.402 2.539 0 50 DFAA CC1=C(C)CN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1 280325857 YZEBIRFPBLFLOI-UHFFFAOYSA-N 323.396 2.723 0 50 DFAA FC(F)(F)c1cn2c(n1)CC[C@H](CN[C@@H]1CCCSC1)C2 328633194 LWJLNYFOAAYGKI-GHMZBOCLSA-N 319.396 2.950 0 50 DFAA CN(C)c1nc(CNC(=O)Cc2cccc(Cl)c2)cs1 219942934 IXHAASLCGIWONS-UHFFFAOYSA-N 309.822 2.721 0 50 DFAA CN(C(=O)N[C@H]1CCCc2nn(C)cc21)c1ccc(F)cc1 374582943 FRWOLPZFDNNSAU-AWEZNQCLSA-N 302.353 2.783 0 50 DFAA C1CC([C@H]2CCN(CC3CCC4(CC3)OCCO4)C2)CCO1 253432405 YOZHKGCYXCHGAP-KRWDZBQOSA-N 309.450 2.668 0 50 DFAA FC(F)Oc1ccc(CCc2noc(-c3cnccn3)n2)cc1 356984618 PIPPQHJDGADNSY-UHFFFAOYSA-N 318.283 2.913 0 50 DFAA CCOc1ccccc1CCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2 155560214 UGKJRCVRZTZZEE-ZXFUBFMLSA-N 316.445 2.665 0 50 DFAA CCc1nnc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)o1 71403935 WQQBJXBJNXZCCK-UHFFFAOYSA-N 324.388 2.737 0 50 DFAA Cc1ccc(O)c(CN2CCC3(CC2)C[C@@H]3c2nnc(C)o2)n1 369418602 OPTVVXMOVHHSPE-CYBMUJFWSA-N 314.389 2.557 0 50 DFAA CCn1cc(C(=O)N2CCC[C@@H]2Cn2cncn2)c2ccccc21 369779578 WVUQOCVNBGWVGK-CQSZACIVSA-N 323.400 2.558 0 50 DFAA Cc1c(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)nnn1C 333301855 IZLBNCQBIWKSID-AWEZNQCLSA-N 311.389 2.883 0 50 DFAA Cc1noc([C@H]2CCN(c3ncnc4scc(C)c34)C2)n1 334027613 IKFXFZDGQKOXBV-JTQLQIEISA-N 301.375 2.685 0 50 DFAA CN(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 47977524 HDFYPVQIZTVCPE-LLVKDONJSA-N 309.797 2.672 0 50 DFAA O=C(Nc1cccc2nccn12)c1cc2ccccc2c(=O)o1 240894765 IPRDBHDPZRXRMX-UHFFFAOYSA-N 305.293 2.693 0 50 DFAA CSc1ccccc1CN1CCn2nc([C@H](C)O)cc2C1 221449799 SBRKLSWFPBHKGK-LBPRGKRZSA-N 303.431 2.674 0 50 DFAA COc1cc2c(cc1F)CC[C@H]2NC(=O)Cc1c(C)n[nH]c1C 338165078 GFSBYUMRHORHDQ-OAHLLOKOSA-N 317.364 2.520 0 50 DFAA Cc1nnc(NC(=O)c2ccc(Br)o2)n1C1CC1 285532429 WWLYJRRWTVQGPW-UHFFFAOYSA-N 311.139 2.529 0 50 DFAA CCC(=O)N1CCC[C@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 48414059 HYEHMFRISIZPIJ-ZDUSSCGKSA-N 316.380 2.733 0 50 DFAA CCCc1ncncc1C(=O)N[C@@H]1COC2(CCCCC2)C1 426541434 ORCUVCABNZOAGN-ZDUSSCGKSA-N 303.406 2.651 0 50 DFAA COC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 221179929 YYMGZHXZCZLCKX-GFCCVEGCSA-N 301.308 2.743 0 50 DFAA Cc1cc(CNC[C@]2(c3cccc(F)c3)CCOC2)ccn1 20866659 XLSHOJZPJBOGBS-GOSISDBHSA-N 300.377 2.977 0 50 DFAA O=C(Cn1ccc2ccccc2c1=O)N1CC2(CCC2)[C@H]1C1CC1 291196663 UKJHFCKXEUXHES-GOSISDBHSA-N 322.408 2.793 0 50 DFAA Cc1nnc(CC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)s1 615452871 DXZBEVSLGFFJTG-CYBMUJFWSA-N 323.368 2.861 0 50 DFAA CC[C@@](O)(CCCO)CNC(=O)Nc1c(C)cccc1Cl 95525333 LCBMSRBLUCYOFY-OAHLLOKOSA-N 314.813 2.684 0 50 DFAA C[C@@H](NC(=O)c1cccc(OCCN)c1)c1cc(F)cc(F)c1 426479039 TUKPKTPZARQVJA-LLVKDONJSA-N 320.339 2.793 0 50 DFAA CC(C)[C@H]1CN(CCC(=O)O)C[C@@H]1NC(=O)CCC1CCCC1 91915083 RKESGHFXXHAXJD-CVEARBPZSA-N 324.465 2.504 0 50 DFAA Cc1cc2cc(C(=O)NCc3cn4c(n3)SCC4)ccc2o1 97572215 GBIPYTDJBMPCRB-UHFFFAOYSA-N 313.382 2.973 0 50 DFAA Cc1ncc(C(=O)N[C@@H](C)COc2c(C)cccc2C)c(C)n1 97641820 IRGGKDOVRNHCCC-ZDUSSCGKSA-N 313.401 2.908 0 50 DFAA C[C@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1ccccc1-n1cccn1 244647114 GVKIGUSCSQGSHL-SOUVJXGZSA-N 313.401 2.601 0 50 DFAA C[C@@H]1CCCN([C@]2(O)C(=O)Nc3c(C(F)(F)F)cccc32)C1 244723831 MIFHKOHVBCPEAO-YMTOWFKASA-N 314.307 2.535 0 50 DFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN(C)Cc2c[nH]nc2C)c1 240499968 NPTBMSHJRBETSX-OAHLLOKOSA-N 314.433 2.644 0 50 DFAA C[C@@H](CC(=O)N[C@@H]1CCO[C@H]1c1cccnc1)c1cccnc1 623139578 SDHIHYQVHDAUMQ-XCRHUMRWSA-N 311.385 2.617 0 50 DFAA CCc1nnc(CN2CC[C@H](n3cnc4c3CCCC4)C2)s1 299740204 WYZQUMJMLFQCAV-LBPRGKRZSA-N 317.462 2.623 0 50 DFAA Cn1nccc1-c1ccnc2nc(-c3c[nH]c4ccccc34)nn12 263587365 GBGAYNOCDVRGPI-UHFFFAOYSA-N 315.340 2.673 0 50 DFAA CCc1nc(O)ccc1C(=O)NCCCn1ncc2ccccc21 1940195178 IDVGMENSFFSYNK-UHFFFAOYSA-N 324.384 2.519 0 50 DFAA Cc1ccc(CC2(NC(=O)CCc3csc(N)n3)CC2)cc1 299772663 AZTNNQVGZIWBLQ-UHFFFAOYSA-N 315.442 2.858 0 50 DFAA CC[C@H](NC(=O)CCc1c(C)nn(C)c1C)c1ccc(O)cc1 952973464 OCYJCTQUOIHCQJ-KRWDZBQOSA-N 315.417 2.943 0 50 DFAA CCO[C@H]1COCC[C@@H]1NC(=O)c1c(F)ccc(C)c1Cl 1565515673 HGTXSCPDEUXEJV-RYUDHWBXSA-N 315.772 2.711 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 269031734 MYMCLYWSKAGFTM-SCLBCKFNSA-N 301.386 2.505 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1 269292530 VASBYDRMBZOSSZ-UNJBNNCHSA-N 308.372 2.654 0 50 DFAA Cc1ccn(C)c(=O)c1NC(=O)c1ccc(F)c(Cl)c1F 186129536 GAHJZUDNUUIZLC-UHFFFAOYSA-N 312.703 2.878 0 50 DFAA CC(C)C[C@H](N)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 167244368 NLZLPHDTBFPUTP-INIZCTEOSA-N 308.397 2.569 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@H]1CCc2nccn2C1 275535978 MFVQNOPFLORESD-BHIYHBOVSA-N 324.472 2.556 0 50 DFAA O=C(Cc1ccccc1O)NC[C@H]1CCO[C@H]1c1ccccc1 170004952 CBAVARHDDCKFCS-APWZRJJASA-N 311.381 2.829 0 50 DFAA CS(=O)(=O)Nc1ccc(N2CCCCC2)c2ccncc12 170599496 BRFHQKVCXYDRHN-UHFFFAOYSA-N 305.403 2.597 0 50 DFAA Cc1cc2c(N3CCN(CC(C)C)C(=O)[C@@H]3C)ncnc2s1 170601059 BEXLYEQVFNKRQA-LBPRGKRZSA-N 318.446 2.693 0 50 DFAA O=C(NCc1ccccc1)[C@H]1CCN(CC2CC(F)(F)C2)C1 646058447 DONMNQYGZGXTJP-HNNXBMFYSA-N 308.372 2.670 0 50 DFAA COCc1ccc([C@H]2CCCN2[C@H](C)c2nnnn2C2CC2)o1 192191769 LGSNKDMHWXCRFZ-BXUZGUMPSA-N 317.393 2.646 0 50 DFAA CO[C@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)CC[C@@H]1C 192620717 XATAUXGIZAWDON-UFBFGSQYSA-N 301.745 2.682 0 50 DFAA CC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)Oc2ccccc21 730497853 GEHKMBNEGDYMPX-FZKQIMNGSA-N 324.380 2.678 0 50 DFAA C[C@@H](NC(=O)c1csc(CCN)n1)C(C)(C)c1ccccc1 194795430 FONCKARULXJLNW-GFCCVEGCSA-N 317.458 2.740 0 50 DFAA CCOc1cccc(CNC(=O)C23CCCN(CCC2)C3)c1 585121441 PKMVZOFXCHEAJP-UHFFFAOYSA-N 302.418 2.578 0 50 DFAA CC(C)C[C@H](C)OC(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 585114543 ICTZXAFKWQWXSQ-QEJZJMRPSA-N 309.410 2.801 0 50 DFAA C[C@@](CO)(NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1 585125970 JXJDVHJNAZBVNF-NUXNZHGMSA-N 303.402 2.542 0 50 DFAA Cc1cc(O)nc(C(C)(C)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n1 585126784 ILHHTTNSIUUUIN-AVGNSLFASA-N 303.406 2.668 0 50 DFAA C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1noc(C(F)F)n1 1615591036 SRNYIOSZQIOWHK-QMMMGPOBSA-N 310.304 2.564 0 50 DFAA COc1ccc(Cl)cc1CNC(=O)N1CCC(F)(F)C1 345829543 VYYDHJWGTFKLJW-UHFFFAOYSA-N 304.724 2.899 0 50 DFAA CSCc1nnc2sc(-c3cccc(N(C)C)c3)nn12 1775972159 JRHBTLZJIWZVKK-UHFFFAOYSA-N 305.432 2.782 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 12403826 FXKACQCZAPIQQH-UHFFFAOYSA-N 318.373 2.506 0 50 DFAA CCN1CCN(C(=O)COc2cc(C)ccc2C(C)C)CC1 16604864 KCTZBRBHJJROBG-UHFFFAOYSA-N 304.434 2.661 0 50 DFAA Cc1nccc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)n1 1857679762 ULIFUMTYUYKNSD-ZCNNSNEGSA-N 323.440 2.743 0 50 DFAA N[C@H]1CC[C@@H](C(=O)NCCCSCc2ccc(F)cc2)C1 247706067 FBEWWBOCENCKQE-HIFRSBDPSA-N 310.438 2.693 0 50 DFAA CN(Cc1nc(-c2ccccc2)no1)[C@@H]1CCCc2c1cnn2C 135638312 RZTVRFJUJFGQFI-OAHLLOKOSA-N 323.400 2.980 0 50 DFAA NC(=O)c1nc(C2(c3ccc(C(F)(F)F)cc3)CCC2)no1 904102517 SPMUAIKHMLGAID-UHFFFAOYSA-N 311.263 2.657 0 50 DFAA O=C(c1cccc2nc(CO)[nH]c12)N1CC[C@@H](c2ccccc2)C1 906455592 YXUCKAXQHBLDAG-CQSZACIVSA-N 321.380 2.685 0 50 DFAA O=C(NCc1nnc(C2CC2)o1)c1cc(F)cc2ccoc12 935481537 LRKKGOAVQVHBEM-UHFFFAOYSA-N 301.277 2.762 0 50 DFAA CC[C@@H](CO)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 864234280 UEPWXBZVICJQCU-RDJZCZTQSA-N 319.449 2.599 0 50 DFAA CO[C@@]1(c2nnc(C/C=C/c3ccccc3F)o2)CCOC1 952887136 IIZWJRDHUCRGCK-NBUZRDOWSA-N 304.321 2.727 0 50 DFAA C[C@](O)(Cn1ncc2nc(Br)ccc21)C(F)(F)F 1875279308 ORMNFWSYLQFKEG-VIFPVBQESA-N 324.100 2.507 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ncnn2C1 1875276246 PAPPBXFMCOAFSO-GMTAPVOTSA-N 316.327 2.630 0 50 DFAA Cc1nc(Cl)ccc1Cc1noc([C@@H]2CCCC(=O)N2C)n1 1875286327 QHZJDPLOPWVBPQ-NSHDSACASA-N 320.780 2.701 0 50 DFAA O=C(N=S1(=O)CCCCC1)C1(OCc2ccccc2)CC1 1875396362 CWBCNXIYFWPJAP-UHFFFAOYSA-N 307.415 2.914 0 50 DFAA OC[C@]12CCC[C@@]1(F)CN(C[C@@]1(c3ccccc3)CCOC1)C2 1875404644 POIGLQYFHBLGHW-IPMKNSEASA-N 319.420 2.531 0 50 DFAA CCOc1ccccc1NC(=O)CSc1nnc(C)s1 87987 PLXUGBJMANOERC-UHFFFAOYSA-N 309.416 2.976 0 50 DFAA CC[C@H](C)c1nccc(=NC[C@@H]2CC(=O)Nc3ccccc32)[nH]1 2325775184 HWQADYLLUPDMIM-STQMWFEESA-N 310.401 2.950 0 50 DFAA CCN=c1[nH]c(C(=O)NCCc2ccc3occc3c2)cs1 2325869081 YBIGKZRLTDEAGL-UHFFFAOYSA-N 315.398 2.716 0 50 DFAA COC(=O)COc1nc(C)nc2c1sc1nc(C)cc(C)c12 202420 JUZNBKNLGJZGLT-UHFFFAOYSA-N 317.370 2.717 0 50 DFAA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1 309817 IWGWQSADCYHSHV-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA C[C@H](Nc1nccc(-c2ccc(N(C)C)cc2)n1)c1nncn1C 2356147764 NSPXPFYKFDEOEU-LBPRGKRZSA-N 323.404 2.511 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cc(-c3ccsc3)[nH]n2)CC1 2356156621 KRIHCTAWPBPDTI-HAQNSBGRSA-N 305.403 2.826 0 50 DFAA COc1ccc(-c2ccc(CN(C)C)cc2CO)cc1OC 2356159682 MRZNNLDWKJWOPN-UHFFFAOYSA-N 301.386 2.925 0 50 DFAA CCc1noc(C)c1C(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)CC)C1 2356164403 RLBMHMZNTABIKX-AHIWAGSCSA-N 306.406 2.559 0 50 DFAA Cc1c(Cl)c(-c2nn3c(C(F)(F)F)nnc3s2)nn1C 20606301 YRPHOJGCILONGL-UHFFFAOYSA-N 322.703 2.567 0 50 DFAA C[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 4943176 CLCPIWPAHNVTNV-LLVKDONJSA-N 301.371 2.602 0 50 DFAA COC(=O)c1ccc(-c2noc(CN3C[C@H]4CC[C@H]3C4)n2)cc1 101955021 MZAQVLSVFYIVFH-FZMZJTMJSA-N 313.357 2.508 0 50 DFAA O=C(c1cc2c(F)cccc2[nH]1)N1CCO[C@H](C2CCC2)C1 412449440 UIPIMYVZXCUBBA-INIZCTEOSA-N 302.349 2.948 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(Cn2ccnc2C)cc1 225539279 ADEFAHDWPAZHCG-UHFFFAOYSA-N 323.400 2.761 0 50 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0 50 DFAA CCOc1ccccc1OC[C@@H](O)CNCc1ccccc1 32186348 PTAWRVZYYDLIQQ-INIZCTEOSA-N 301.386 2.615 0 50 DFAA COc1ccccc1C[C@H](C)CC(=O)N1CCC(C(=O)O)CC1 237247981 ULROPTVMRAJTJF-ZDUSSCGKSA-N 319.401 2.587 0 50 DFAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(C2CCC2)o1 241383233 MTNVUXRDAXMXHR-MJBXVCDLSA-N 319.405 2.643 0 50 DFAA CCN(Cc1ccncc1)C(=O)c1ccc([C@@H]2CCNC2)cc1 72140441 RYOMNSCRCVXOIL-GOSISDBHSA-N 309.413 2.821 0 50 DFAA COc1cc(S(=O)(=O)Nc2cccc(C)n2)c(C)cc1C 41096179 BOFKSMYGFKJNQG-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA CC(C)CC(=O)C(=O)N1CCC(c2nccn2CC2CC2)CC1 82125860 GLQVTKXRVUAMNH-UHFFFAOYSA-N 317.433 2.614 0 50 DFAA CC(C)c1ccoc1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 284461039 WPOJVBWTSTXFEI-OLZOCXBDSA-N 306.406 2.780 0 50 DFAA Cn1ccnc1CN(C(=O)c1cccc(OC(F)F)c1)C1CC1 47236819 UKYHONNOSCCRAM-UHFFFAOYSA-N 321.327 2.826 0 50 DFAA C[C@H](C(=O)NCc1nnc2ccccn12)c1ccc(Cl)s1 175032984 DIPDJGNPHLGDLT-VIFPVBQESA-N 320.805 2.864 0 50 DFAA Cn1ccnc1CCNC(=O)Cc1ccc(-c2ccccc2)cc1 222700361 DTKQYCWDZLYZIK-UHFFFAOYSA-N 319.408 2.989 0 50 DFAA COCc1cccc(NC(=O)N2CC[C@H](CN3CCCC3)C2)c1 177521448 JZMSUWHZAUQPHS-MRXNPFEDSA-N 317.433 2.783 0 50 DFAA CC(C)N1CCC(CC(=O)N[C@@H](C)[C@H](O)c2ccccc2)CC1 95511016 VTHPJLLUICKFRX-KXBFYZLASA-N 318.461 2.735 0 50 DFAA CN(Cc1ccco1)C(=O)c1cc(O)c2cccc(F)c2n1 97155724 SBBZZWMUTAGIPJ-UHFFFAOYSA-N 300.289 2.945 0 50 DFAA CCc1nc(CCNC(=O)[C@H]2COc3ccccc3C2)cs1 95523105 UYKARFACPUXNMC-CYBMUJFWSA-N 316.426 2.616 0 50 DFAA C[C@H](c1ccc(-c2cc(N)nc(N(C)C)n2)cc1)N1CCCC1 97272425 MLXCXOIXCAHWEG-CYBMUJFWSA-N 311.433 2.949 0 50 DFAA CCCn1ccnc1CNC(=O)c1ccc2nc(C)c(C)nc2c1 95355860 OXHVUGQLUWKNLV-UHFFFAOYSA-N 323.400 2.783 0 50 DFAA CNC[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC(C)C)C1 178966308 WPSREDGCXYJXHX-GFCCVEGCSA-N 310.825 2.809 0 50 DFAA Cc1ccccc1CSCCNC(=O)Nc1cnn(C)c1 95503624 WFTQIZYQTAUQKN-UHFFFAOYSA-N 304.419 2.783 0 50 DFAA CC(C)Cc1cc(C(=O)NCCSc2ccccn2)on1 91644257 JHDNRNVNTMMUAG-UHFFFAOYSA-N 305.403 2.790 0 50 DFAA Cn1ncc(C2CC2)c1CNC(=O)c1cnc2ccc(F)cc2c1 618554608 CYEWGXCNJQEAGJ-UHFFFAOYSA-N 324.359 2.915 0 50 DFAA O=C(CN(Cc1ccccn1)C1CC1)N1CCc2ccccc2C1 181311598 CVACORDCYYCETG-UHFFFAOYSA-N 321.424 2.631 0 50 DFAA Cc1ccc(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)cc1F 625443434 GDFVGEHZBSQRQE-DYVFJYSZSA-N 300.377 2.881 0 50 DFAA CCn1cnc2c(NCc3ccnc(C(F)(F)F)c3)ncnc21 296348342 QWKYEWRIDZTIDZ-UHFFFAOYSA-N 322.294 2.872 0 50 DFAA CCCC[C@@H](NC(=O)N1CCc2n[nH]cc2C1)c1cccnc1 534588482 MKRXDHKMOPCZDA-OAHLLOKOSA-N 313.405 2.804 0 50 DFAA COc1ncccc1NC(=O)[C@@H](CCSC)n1cccc1 263587498 HNRJTCNVIJLYFP-CYBMUJFWSA-N 305.403 2.825 0 50 DFAA Cc1nccn1CC(=O)Nc1nc2c(s1)CCCCCC2 297647660 IDXRHBMJECRHTR-UHFFFAOYSA-N 304.419 2.946 0 50 DFAA OC[C@H]1CC[C@H](CNC2CCN(Cc3ccco3)CC2)CC1 584890815 JJGADWOFLCNWLM-WKILWMFISA-N 306.450 2.632 0 50 DFAA Cc1ccccc1-c1nn2c([C@H]3CCCN(C)C3)nnc2s1 823771513 ZKOZOMUUFYFVER-LBPRGKRZSA-N 313.430 2.970 0 50 DFAA Cc1nncn1CCN1CCC(Oc2cccc(Cl)c2)CC1 670472903 YEDSKNZPUJURPT-UHFFFAOYSA-N 320.824 2.783 0 50 DFAA Cc1ccc(-c2nc(C(=O)N[C@@]34CCCN(CC3)C4)cs2)o1 1361597539 NSALVSBBCMCHMT-INIZCTEOSA-N 317.414 2.680 0 50 DFAA CC(C)[C@@H](O)CC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 305200824 VUOLQOOSQSENJR-INIZCTEOSA-N 315.417 2.676 0 50 DFAA Cc1nc(NC[C@@H]2CC(=O)N(C(C)(C)C)C2)c2ccccc2n1 952977626 NUKDCZPOKXPGAT-ZDUSSCGKSA-N 312.417 2.997 0 50 DFAA CCOC(=O)c1csc(-c2ccc(N3CCCC3)nc2)n1 164316849 JQRMBIQTUBJTJP-UHFFFAOYSA-N 303.387 2.982 0 50 DFAA C[C@@]1(C(F)F)CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCO1 628171537 FHYQOUAXRXDCOO-WDMOLILDSA-N 301.358 2.734 0 50 DFAA CC(C)(C)c1cc(C(=O)OCC(N)=O)c(O)c(C(C)(C)C)c1 169881414 HUSBBPFMHOSKRC-UHFFFAOYSA-N 307.390 2.629 0 50 DFAA CC(C)CO[C@H](C)c1noc(COc2ccccc2CCO)n1 170616284 DHXYPYRQIWOCTF-CYBMUJFWSA-N 320.389 2.917 0 50 DFAA CCn1nc(C)c(NC(=O)N2CCC[C@]2(CO)CC(C)C)c1C 170608497 LYCZJHGROFRPNH-QGZVFWFLSA-N 322.453 2.925 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c1 170672195 GKPSPKSCTHUJDN-HUUCEWRRSA-N 313.328 2.944 0 50 DFAA COc1ccnc(CNC(=O)N2C[C@@H]3CCCC[C@@]32C)c1F 637276473 DZCLTXZEQFRBQL-ZBEGNZNMSA-N 307.369 2.703 0 50 DFAA CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(N)c1 194121401 JGXITRCLOBWRMA-HNNXBMFYSA-N 312.369 2.571 0 50 DFAA CN(C)CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2o1 585087805 SJOCDAAJJSZYSF-MRXNPFEDSA-N 323.396 2.789 0 50 DFAA CCn1ncc2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc21 194674169 JEWLGNRDBCZPCO-QGZVFWFLSA-N 307.353 2.998 0 50 DFAA Cn1ncc(N2CCc3ccccc3C(C)(C)C2)c(Cl)c1=O 1616044097 OTTZMGOHVXOOPI-UHFFFAOYSA-N 317.820 2.774 0 50 DFAA Cc1cccc(NC(=O)CC(=O)NCCc2ccco2)c1C 1506425672 FVZIIOFETUUFAA-UHFFFAOYSA-N 300.358 2.584 0 50 DFAA O=C(c1cccnc1NCCCc1ccccn1)N1CCCC1 1704325552 JXNKJFAOYYMABW-UHFFFAOYSA-N 310.401 2.757 0 50 DFAA c1cc2c(s1)CCOC21CCN(C[C@H]2CCCNC2)CC1 1704344135 OFBKOHROTBXVNJ-AWEZNQCLSA-N 306.475 2.612 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)c2ccc(CN(C)C)o2)CC[C@]1(C)O 215447981 QLFXYBJLSDOBRZ-KDOFPFPSSA-N 322.449 2.600 0 50 DFAA O=C(O)[C@H]1CN(Cc2cccc3nonc23)C[C@@H]1c1ccccc1 219948585 JLLCXOSSWVZERN-CABCVRRESA-N 323.352 2.523 0 50 DFAA Cc1cc(N2CCCN(c3nc(C)ncc3Cl)CC2)ccn1 1704307752 DLLUXDLVKBUDTA-UHFFFAOYSA-N 317.824 2.859 0 50 DFAA CCn1cc(Br)c(=O)c(NC(=O)[C@H](C)C2CC2)c1 347909382 LVKJUFJMWASDQF-MRVPVSSYSA-N 313.195 2.615 0 50 DFAA COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O 5732268 VJJZJBUCDWKPLC-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA biogenic,in-vivo CCOC(=O)COc1c(Cl)cc(Cl)c2nsnc12 5073846 SGJDPGGWWMIAJZ-UHFFFAOYSA-N 307.158 2.940 0 50 DFAA CC[C@@H](C)CN1CCc2nnc(CCc3ccccc3)n2CC1 11787797 BPMLAZWJCGUKHY-MRXNPFEDSA-N 312.461 2.968 0 50 DFAA CCc1nnc(NC(=O)[C@@H](CC)Sc2cc(C)ncn2)s1 16623397 OMIILSCIDOXRGA-SECBINFHSA-N 323.447 2.708 0 50 DFAA Cn1c(NC(=O)C(F)(F)c2ccccn2)nc2cc(F)ccc21 156239023 RAVMEJQGYZTJGU-UHFFFAOYSA-N 320.274 2.838 0 50 DFAA CC(C)=CCC[C@H](C)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 328626755 MAYBQBXOWVJNCL-RLFYNMQTSA-N 318.465 2.664 0 50 DFAA O=C(O)[C@H]1CCCN1CCOc1ccccc1C(F)(F)F 238099485 ORCLFBRNGDSRTI-LLVKDONJSA-N 303.280 2.633 0 50 DFAA CCOc1ccccc1CCNC(=O)[C@@H]1CCCc2[nH]ncc21 134255854 GJRJXNLSBPWCRL-CQSZACIVSA-N 313.401 2.587 0 50 DFAA CC1(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)CC(F)(F)C1 902017694 RFOBYBNKCIIDJQ-NWDGAFQWSA-N 309.312 2.851 0 50 DFAA CC1=CC2(CCN(C(=O)CN3CCCCCC3)CC2)OCC1 1704298823 DXELVNPPSHENCJ-UHFFFAOYSA-N 306.450 2.590 0 50 DFAA CCc1cccc2c1OCC[C@@H]2NC[C@H](O)c1ccc(F)cn1 818997660 HYXWIAWFLNVGKY-RDJZCZTQSA-N 316.376 2.930 0 50 DFAA CC1(C)CO[C@@H]1CNC(=O)Nc1ccnn1-c1ccc(F)cc1 1875301407 IZHPBKIRGUHANQ-CYBMUJFWSA-N 318.352 2.558 0 50 DFAA CN(C)c1cccnc1C(=O)Nc1ccc2n[nH]cc2c1Cl 1875350069 ZLNMDPCEAPLFCL-UHFFFAOYSA-N 315.764 2.930 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@@H](C[C@@H](C)C(=O)O)C2)on1 1875323984 XHGCTJQWEPMNNF-NEPJUHHUSA-N 308.378 2.761 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)sn1 886052239 FCNAXTGPLIBZJT-FZMZJTMJSA-N 320.418 2.518 0 50 DFAA Cc1ccc([C@H](C)CNS(=O)(=O)Cc2cscn2)cc1 1775990287 LBZZTRXPMJBHJJ-GFCCVEGCSA-N 310.444 2.675 0 50 DFAA CCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccccc1 3072947 PHGVWTAHTZTRHC-CYBMUJFWSA-N 312.369 2.901 0 50 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CCCN(CCC)c1nc(N2CCCC2)nc(N2CCCC2)n1 620643 JBBBGJNQUHLXMC-UHFFFAOYSA-N 318.469 2.698 0 50 DFAA Cc1cc(NC(=O)COc2ccccc2Br)no1 1054632 GAPHAPQTCKYBGJ-UHFFFAOYSA-N 311.135 2.763 0 50 DFAA COc1cc(S(=O)(=O)Nc2ncccc2C)c(OC)cc1C 4970476 REYSGZKOBZNYPA-UHFFFAOYSA-N 322.386 2.516 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 8699241 VRCJPGMBINFMCH-OLZOCXBDSA-N 309.337 2.861 0 50 DFAA Cc1cc(C)n(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1 8828736 YVICXQFAJZHCTB-UHFFFAOYSA-N 300.387 2.666 0 50 DFAA CC1CCC(N2CCN(C[C@H](O)c3ccccc3)CC2)CC1 115566504 BFUNRTPCXUNPHY-KVZIAJEVSA-N 302.462 2.916 0 50 DFAA COc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)o1 215252814 GZKAHYYNCTTZRI-UHFFFAOYSA-N 305.721 2.748 0 50 DFAA CCN(CCOC)Cc1cnc2c(-c3ccccc3)cnn2c1 67948070 VTIGASVKUWVZLX-UHFFFAOYSA-N 310.401 2.865 0 50 DFAA O[C@H](CN1CCCC[C@H]1Cn1cccn1)c1ccc(F)c(F)c1 247792405 PEZOCEZKWUCQFR-WMLDXEAASA-N 321.371 2.749 0 50 DFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 6550740 PYMWQNDCTLNBSJ-KBPBESRZSA-N 307.777 2.666 0 50 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2.672 0 50 DFAA CCc1ncc(C(=O)N2CCN(c3ccc(C)cc3)C[C@H]2C)cn1 77321871 SUKPDPBARRADAP-OAHLLOKOSA-N 324.428 2.698 0 50 DFAA O=C(NCc1nccs1)C1(N2CCCCC2)CCCCC1 426563574 YRXQDHQUYCNSCF-UHFFFAOYSA-N 307.463 2.948 0 50 DFAA CCCN1CCC[C@@]2(CCN(c3ccc(Cl)cn3)C2)C1=O 95384302 IODLNGKAOHEACA-INIZCTEOSA-N 307.825 2.964 0 50 DFAA CN(CCc1ccccn1)C(=O)c1cccc([C@H]2CCCNC2)c1 97675475 XXSJZYPFFJSKSD-SFHVURJKSA-N 323.440 2.863 0 50 DFAA OC[C@H]1CN(Cc2cccc(Cl)c2)C[C@H]1CN1CCCCC1 91872101 KGVNZRVPEHCZER-IAGOWNOFSA-N 322.880 2.866 0 50 DFAA O=C(NCCCc1ccccn1)c1c[nH]nc1-c1ccccc1 92046464 RHXLVCKAOASHRM-UHFFFAOYSA-N 306.369 2.834 0 50 DFAA c1ccc(CN2CCC(Nc3cc(C4CC4)ncn3)CC2)nc1 95382434 FBFMMLDYQZKAGX-UHFFFAOYSA-N 309.417 2.826 0 50 DFAA c1ccc([C@@H](Cn2cccn2)n2cc(-c3nccs3)nn2)cc1 95384217 YCVIKHXFNPXQAD-OAHLLOKOSA-N 322.397 2.888 0 50 DFAA CC(=O)c1ccc(N2CCOCC2)c(C[C@@H]2CCCCO2)c1 91860422 YEDQFLBFKQDGBQ-KRWDZBQOSA-N 303.402 2.837 0 50 DFAA O=C([C@@H]1CCOc2ccccc2C1)N1CC(c2cccnc2)C1 96132181 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823128764 FWTRSCIENGTPGK-UHFFFAOYSA-N 303.749 2.737 0 50 DFAA O=c1c2ccc(C(F)(F)F)cc2ncn1Cc1cscn1 584887907 JBGUSMYIZCHKQP-UHFFFAOYSA-N 311.288 2.920 0 50 DFAA Cc1nc(CN[C@H]2CCCN(Cc3cccs3)C2)n(C)c1C 952871758 AFNLUFIXSUTHDT-HNNXBMFYSA-N 318.490 2.853 0 50 DFAA Cc1nnc(NC[C@H]2CN(Cc3ccccc3)CCCO2)s1 277291204 ZNCSGKRSGVYNMF-HNNXBMFYSA-N 318.446 2.550 0 50 DFAA O[C@H]1CCC[C@@]1(CNCc1csnn1)Cc1ccc(F)cc1 277325175 CCRRMAJDUYESQA-HOTGVXAUSA-N 321.421 2.541 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 170047835 HGECGAGXBZZBOO-JTQLQIEISA-N 305.227 2.534 0 50 DFAA CCn1nc(C)c(NC(=O)N2CCC[C@@]2(CO)CC(C)C)c1C 170608498 LYCZJHGROFRPNH-KRWDZBQOSA-N 322.453 2.925 0 50 DFAA OC[C@@H]1CCCN1Cc1ccccc1CNc1ncccc1F 170614934 YWAWGJGZANLFQR-INIZCTEOSA-N 315.392 2.790 0 50 DFAA CN(C)c1noc([C@@H]2CCCN(c3nc4ccccc4o3)C2)n1 188549534 UVUNATKZSIHGMC-LLVKDONJSA-N 313.361 2.661 0 50 DFAA CC(C)(C)N1CCC(NC(=O)c2cnc3ccccc3n2)CC1 194333440 AJLFLQBFYSCXQD-UHFFFAOYSA-N 312.417 2.623 0 50 DFAA COc1ccc(CC(=O)N(C)[C@@H](C)c2ccccn2)cc1F 194722637 AOPAUIGEHXNZEY-LBPRGKRZSA-N 302.349 2.991 0 50 DFAA Cc1ccc(C2(C(=O)N3C[C@H](C(=O)O)[C@@H](C4CC4)C3)CC2)cc1 1616104705 WHCYRKWVGCMXIE-CVEARBPZSA-N 313.397 2.596 0 50 DFAA CCCC[C@H]1C=CCN1C(=O)CCNC(=O)c1ccc(F)cc1 1506421074 DUUSEAQGHAZKKP-INIZCTEOSA-N 318.392 2.903 0 50 DFAA O=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)c(Cl)c1 4358044 KZFWZIDGSIENGA-UHFFFAOYSA-N 317.794 2.649 0 50 DFAA O=C(c1ccccc1OCCn1ccnc1)C1CCOCC1 1772814158 MAIXNHJRPARLJK-UHFFFAOYSA-N 300.358 2.571 0 50 DFAA O=C(c1ccc(COc2ccccc2Cl)o1)N1CCOCC1 5032818 FBYGGHVSVHPAAI-UHFFFAOYSA-N 321.760 2.984 0 50 DFAA COc1ccccc1-n1nnc(C(=O)N(C)c2ccccc2)c1C 11690347 MKPVMLLBWHWHMP-UHFFFAOYSA-N 322.368 2.861 0 50 DFAA CC1=CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]2C1 18241090 COPLECYLFKVOII-QWRGUYRKSA-N 319.744 2.884 0 50 DFAA CCN(CC)CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 2827911 QAHQBOCXCSDAKD-PKNBQFBNSA-N 320.433 2.565 0 50 DFAA Cc1cc(C)n2nc(Sc3nc(C)nc(C)c3C)nc2n1 301437613 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0 50 DFAA CCCCC(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F 952993453 HFTCVEAJIMKFQI-SNVBAGLBSA-N 318.343 2.866 0 50 DFAA Cc1c(CN2CCO[C@H](CC(=O)O)C2)oc2ccc(F)cc12 1875283638 YQXZERJKGJTDID-GFCCVEGCSA-N 307.321 2.556 0 50 DFAA COCc1ccccc1CNC(=O)[C@H]1CCCO[C@H]1C(C)C 886056943 XSMYXGGKLFDELF-IRXDYDNUSA-N 305.418 2.900 0 50 DFAA O=C(NCCc1nc(-c2ccco2)n[nH]1)[C@H]1CCCCC1(F)F 1775986435 WWINZJZZTGAFJY-SNVBAGLBSA-N 324.331 2.549 0 50 DFAA CC(C)(C)[C@@H]1C[C@H](C(=O)O)CN(Cc2cccn3nccc23)C1 2325777260 PNJPGOLTXMJIGJ-LSDHHAIUSA-N 315.417 2.903 0 50 DFAA Cc1nnc([C@H]2CN(Cc3cc4ccccc4nc3C)CCO2)o1 2325800441 HCOJMASNWPKILC-QGZVFWFLSA-N 324.384 2.808 0 50 DFAA O=C(c1ccc2c(c1)NCCCN2)N1CC[C@@H]2OCCC[C@H]2C1 2325812145 YKOSZTWKNHDDAE-YOEHRIQHSA-N 315.417 2.555 0 50 DFAA CCOC(=O)C1=NN[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 174496 QMURMMKDJQPFOC-HZPDHXFCSA-N 322.364 2.544 0 50 DFAA COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)coc2c1 569901 LUUGPHKNLVJNNQ-UHFFFAOYSA-N 321.288 2.602 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1OC 1052501 JMEMTZYJXZKPRO-NEPJUHHUSA-N 307.346 2.533 0 50 DFAA O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2o1 4867216 RXFPYQONERLGIP-UHFFFAOYSA-N 324.745 2.575 0 50 DFAA COc1cc(S(=O)(=O)n2ccnc2C(C)C)c(OC)cc1C 7425048 GDGPBVGNHPPIBC-UHFFFAOYSA-N 324.402 2.569 0 50 DFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1C)C(=O)CO2 10682206 XMJAANQWTFMWLU-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc4ccccc4n32)c1 9668783 SHEXXJOOZBLLQD-HNNXBMFYSA-N 320.352 2.867 0 50 DFAA O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)[C@H]1CSCN1 225463724 BPUOIBYNGFCIQG-DVVUODLYSA-N 317.241 2.628 0 50 DFAA CC(C)COc1ccccc1CN(C)C(=O)CN1CCCC1 55413039 GQONKWCCWQXWDK-UHFFFAOYSA-N 304.434 2.776 0 50 DFAA COc1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)cc1 114205933 UNCBDUBAQKPMJE-UHFFFAOYSA-N 320.330 2.713 0 50 DFAA CCN(Cc1cnc2ccccc2c1)Cc1nc(COC)no1 55074479 DRLIHJVDLGZRRX-UHFFFAOYSA-N 312.373 2.786 0 50 DFAA Cc1ccc2nc(C)c(C(=O)N3[C@H]4CC[C@@H]3C[C@H](O)C4)cc2c1 102735188 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Clc1cnn(CCCN[C@H]2CCN(c3ccccc3)C2)c1 584900797 GODPKEDNJILNIW-HNNXBMFYSA-N 304.825 2.795 0 50 DFAA CC[C@H](NC(=O)Cc1sc(N)nc1C)c1nc(C)c(C)s1 670462537 JFMHIOZFBBYHPP-JTQLQIEISA-N 324.475 2.917 0 50 DFAA CC(C)(C)OC(=O)N1CCC(O)([C@@H](N)c2ccc(F)cc2)CC1 958528359 NVBUYIQVRRSVHH-AWEZNQCLSA-N 324.396 2.588 0 50 DFAA CS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)nn2)cc1 301838447 NJEHLILSKPSIBP-UHFFFAOYSA-N 318.276 2.691 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C[C@@]1(C)C(=O)O 630307011 KOHIJANPDYPAPM-YAMSLAJTSA-N 321.339 2.924 0 50 DFAA c1cc(Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)cs1 278103668 PIKZRDWQJJXKDG-CHWSQXEVSA-N 305.403 2.648 0 50 DFAA O=C([C@@H]1CCc2ccccc2O1)N1CCC(c2ccncn2)CC1 665608448 QJXCWGBRMXXSOX-SFHVURJKSA-N 323.396 2.576 0 50 DFAA COc1cnc(/C=C/c2ccc(N(C)C(C)C)nc2)nc1O 585086317 XXCCMILLSVGLNY-FNORWQNLSA-N 300.362 2.601 0 50 DFAA O=C(Nc1n[nH]c(C2CCC2)n1)c1csc(C(F)(F)F)n1 193813745 QZUZESXKEWBGNN-UHFFFAOYSA-N 317.296 2.800 0 50 DFAA Cc1nc2ccc(C(=O)N3CCC[C@@H](OC(C)C)C3)cc2n1C 650325485 KQUZLDRHPMUFOI-OAHLLOKOSA-N 315.417 2.911 0 50 DFAA O=C(c1csc(-c2ccoc2)n1)N1CCO[C@@H](C(F)F)C1 194122954 XECRILGYROZDIE-SNVBAGLBSA-N 314.313 2.509 0 50 DFAA CCc1cccc(S(=O)(=O)NCCCc2cccnc2)c1 1615585465 HZGBJLLJFPERLR-UHFFFAOYSA-N 304.415 2.555 0 50 DFAA Fc1c[nH]ccc1=NC[C@@H](c1cccnc1)N1CCCCC1 1506396648 IXGXCWWPUACQHT-KRWDZBQOSA-N 300.381 2.677 0 50 DFAA COc1ccccc1CCC(=O)Nc1nnc([C@H](C)OC)s1 1506406719 FVLCDBTUGVJUIV-JTQLQIEISA-N 321.402 2.825 0 50 DFAA CCc1ccc(CN(CC)C(=O)[C@@H]2CC[C@H](O)[C@H](OC)C2)cc1 1704316354 YSVCIJGNXIJXLH-FGTMMUONSA-N 319.445 2.774 0 50 DFAA C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC(=O)O 237316951 NASYIBYERMJHQI-QMMMGPOBSA-N 304.173 2.763 0 50 DFAA Cc1cc(O)c(Cl)cc1-c1cc(N2CCCC2)nc(N)n1 1772708539 DRKBVVDCVVTVBD-UHFFFAOYSA-N 304.781 2.993 0 50 DFAA CCCN1CCN(C(=O)c2csc3c2CCCC3)CCC1=O 11869868 ODHSZPDJDQLGML-UHFFFAOYSA-N 320.458 2.711 0 50 DFAA COCCCNCCOCCOc1c(C)cc(Cl)cc1C 5042596 MQWFBLDYGUTBJY-UHFFFAOYSA-N 315.841 2.978 0 50 DFAA NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 14960224 QHPKKGUGRGRSGA-UHFFFAOYSA-N 321.340 2.768 0 50 DFAA in-vivo Cc1cc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)nn1C 14978299 WABZXNPXVPKJJG-INIZCTEOSA-N 318.465 2.503 0 50 DFAA O=c1c2c3c(nn2ccn1Cc1cc(F)cc(F)c1)CCCC3 169760088 NDVLVSFYVWKBBZ-UHFFFAOYSA-N 315.323 2.701 0 50 DFAA Cn1nccc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 225766159 UJRJNZYBIIOFGW-LLVKDONJSA-N 301.312 2.615 0 50 DFAA CC(=O)Nc1ccc(CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 123020438 SPACOTWQHZLIAH-GOSISDBHSA-N 312.417 2.987 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](CC(N)=O)CC2)ccc1Cl 671481790 GJOMYLPMCVVGCR-GFCCVEGCSA-N 308.809 2.766 0 50 DFAA CC[C@H]1CN(C(=O)COCc2cc(C)on2)c2ccccc2O1 1875274087 GJOKRWLLUGEYBC-AWEZNQCLSA-N 316.357 2.704 0 50 DFAA O=C(N[C@@H]1CC[C@@H]2C[C@]21C(=O)O)c1cccc(-c2ccncc2)c1 1875311099 MQULQXNEOFJQMI-MDZRGWNJSA-N 322.364 2.732 0 50 DFAA CC(=C/c1ccccc1)/C=C1\SC(=O)N(CC(=O)O)C1=O 966749 VHARQOHGADYUIA-NQXFEYKRSA-N 303.339 2.754 0 50 DFAA Cc1cn2c(n1)[C@H](C)N(Cc1cc3ccccc3n(C)c1=O)CC2 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Cc1cc(NC(=O)c2nnn(-c3ccccc3Cl)c2C)no1 4393776 DFIXBZZQJVTNRV-UHFFFAOYSA-N 317.736 2.778 0 50 DFAA C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc3c(c2)CCC3)C1 6556198 ORQWJBOWUUFLIA-IIDMSEBBSA-N 303.446 2.893 0 50 DFAA Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 6701334 YJRXUTDEHPWLBS-ZDUSSCGKSA-N 312.369 2.808 0 50 DFAA CCSc1nnc(NC(=O)[C@H]2Cc3ccccc3O2)s1 10277622 GBCKOBYCCSDWTH-SNVBAGLBSA-N 307.400 2.592 0 50 DFAA Cc1cn2c(n1)[C@H](CNc1cc(OC(C)C)ncn1)CCC2 413208947 SPZAPUXOZCRFMC-ZDUSSCGKSA-N 301.394 2.758 0 50 DFAA CC(C)n1cc2cc(NC(=O)NC[C@H]3CC[C@@H](O)C3)ccc2n1 225595559 JCHBXOWTQAISAY-SWLSCSKDSA-N 316.405 2.900 0 50 DFAA CC(C)n1cnc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1 245549450 OFBUISSCPXZAOF-CAEXGNQWSA-N 323.462 2.567 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2cn3ccccc3n2)c1 225728824 KAPIVUUDACDPIY-FUHWJXTLSA-N 323.396 2.651 0 50 DFAA Cc1cccc(C)c1OCCCN(C)C(=O)c1c[nH]nc1C 55242164 XLTDMJJQCUQHGD-UHFFFAOYSA-N 301.390 2.876 0 50 DFAA Cc1ccc(CNC(=O)c2cccc(OCC(=O)O)c2)cc1F 345786752 VKOHUGYGPBXMCF-UHFFFAOYSA-N 317.316 2.528 0 50 DFAA COc1ccc(-n2c(CC(C)C)nnc2SCC(=O)O)cc1 65493621 VBHWNHGQSDPMAH-UHFFFAOYSA-N 321.402 2.651 0 50 DFAA c1ccc(-n2nc(C3CC3)nc2-c2cnn3ccccc23)nc1 65385696 FSQJYINKJKLEJU-UHFFFAOYSA-N 302.341 2.854 0 50 DFAA O=C(Oc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1 240781 LGZPECRBROJIHY-UHFFFAOYSA-N 320.304 2.915 0 50 DFAA COc1cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)ccn1 72470028 PYJQKVGRPUWFHY-UHFFFAOYSA-N 322.368 2.548 0 50 DFAA CCn1cccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c1=O 434411642 LQEVDOPIVTZGMI-ZFWWWQNUSA-N 319.449 2.882 0 50 DFAA CCCOc1ccccc1CNC(=O)Cn1nc(C)c(C)c1C 216316603 RMVHFNAZPULUBO-UHFFFAOYSA-N 315.417 2.914 0 50 DFAA CCn1nc(C)c([C@@H](C)NC(=O)CSc2ccccn2)c1C 219993002 YOEZBLSKLJSWHJ-LLVKDONJSA-N 318.446 2.884 0 50 DFAA C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCN(C2CC2)C1 452173585 NKQFTBJLWBBORX-CQSZACIVSA-N 316.420 2.800 0 50 DFAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)s1 77452902 QUPWUMUEEHFWTL-SNVBAGLBSA-N 315.822 2.860 0 50 DFAA c1csc(N2CCC[C@H]2c2nc(-c3cncs3)no2)n1 333258438 ZUYXACDVFYDJIF-QMMMGPOBSA-N 305.388 2.991 0 50 DFAA O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc2n(n1)CCCC2 333530336 IUPKYFQDURZWJV-CQSZACIVSA-N 315.348 2.612 0 50 DFAA NC(=O)c1ccc(OCc2nc(CCc3ccccc3)no2)cc1 72140170 LHHSANHKWMPNIM-UHFFFAOYSA-N 323.352 2.533 0 50 DFAA C[C@@H](C(=O)Nc1nc(-c2cnn(C)c2)cs1)c1cccnc1 173237604 PWGGBRPVEUECEM-SNVBAGLBSA-N 313.386 2.681 0 50 DFAA CCn1ccc(C(=O)N(C)Cc2cccc3ncccc23)cc1=O 82096888 QGIJNIFLJZAXBM-UHFFFAOYSA-N 321.380 2.689 0 50 DFAA CC(C)C1(CNC(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 176031390 XZCAFRXYCVBOAY-CQSZACIVSA-N 318.417 2.904 0 50 DFAA CCc1ccc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)[nH]1 426393080 UFVAYXJCLSVTLQ-GFCCVEGCSA-N 314.385 2.567 0 50 DFAA O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(C(=O)O)nc1 238052137 LXIZDNYDVZYFJU-VHSXEESVSA-N 316.279 2.631 0 50 DFAA O=C(O)C[C@H]1COCCN1Cc1ccccc1OC1CCCC1 97334332 UPGRGKVCAYBENC-HNNXBMFYSA-N 319.401 2.684 0 50 DFAA Cc1nc2cc(C(=O)NC[C@H]3COc4ccccc4C3)ccc2[nH]1 97346934 AEESHBWCIQQZGD-ZDUSSCGKSA-N 321.380 2.852 0 50 DFAA C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 148048231 VDQPNOWYYSSZQK-AWEZNQCLSA-N 318.417 2.869 0 50 DFAA Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3cc(C)no3)cn2c1 91505343 GZSQEAQYCUSVBC-CQSZACIVSA-N 310.357 2.916 0 50 DFAA CC[C@H]1CCCCN1C(=O)CN(Cc1ccccn1)C1CC1 181309096 QLPZNJCOXHOVNR-INIZCTEOSA-N 301.434 2.837 0 50 DFAA COc1cc(Cl)ccc1C(=O)N1CC[C@H](O)CC(C)(C)C1 296745796 AYHDRKIEWCFYLE-LBPRGKRZSA-N 311.809 2.972 0 50 DFAA CC(C)(C)c1cc(CNC(=O)COc2cccc(F)c2)[nH]n1 299769811 QOUFTNSKDQDOGU-UHFFFAOYSA-N 305.353 2.542 0 50 DFAA C[C@H](NC(=O)CCNC(=O)c1ccccc1F)C1=CCCCC1 827989662 NPBYMTXCPZFTRM-ZDUSSCGKSA-N 318.392 2.951 0 50 DFAA CCc1nccn1CCC(=O)N1CCC(c2ccncc2)CC1 823557460 QUQJTIUABRZGBW-UHFFFAOYSA-N 312.417 2.637 0 50 DFAA Cc1nonc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 584888970 QYOBSGGKEHRPFK-UHFFFAOYSA-N 305.765 2.770 0 50 DFAA CC(C)n1cc(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)cn1 408235476 DBSHBCMWMLZFLU-CABCVRRESA-N 311.451 2.711 0 50 DFAA CCOc1ccc([C@@H](NC(=O)[C@H]2CCNC2)c2ccccc2)cc1 170048762 PELGACCTPYKVED-HKUYNNGSSA-N 324.424 2.900 0 50 DFAA CC[C@H]1CCCC[C@H]1N1CCC(NC(=O)C2CCOCC2)CC1 170086844 PHYRNVCQZCFINJ-MAUKXSAKSA-N 322.493 2.962 0 50 DFAA CCc1cc(N(CCc2nccs2)C(C)C)n2ncnc2n1 170615132 MINYVNVMVBSMDG-UHFFFAOYSA-N 316.434 2.601 0 50 DFAA COc1ccc(N2C[C@@H](NC3CC4(CCC4)C3)CC2=O)cc1 668502631 FPNOROLHFSGGIC-ZDUSSCGKSA-N 300.402 2.723 0 50 DFAA Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[C@@H]3C2)N2CCCC2)o1 660531658 YBZGMNRDQRZHCS-XHSDSOJGSA-N 317.433 2.776 0 50 DFAA C[C@H](NC(=O)c1ncc[nH]1)c1ccc(OCC(F)(F)F)cc1 667193911 GVKMKMQSINMHGV-VIFPVBQESA-N 313.279 2.842 0 50 DFAA C[C@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@@H]1O 768527670 VBJICYCTIRCOCJ-LRDDRELGSA-N 306.369 2.509 0 50 DFAA COc1ccc([C@H]2CCCN2c2cc(O)nc(C)n2)c(OC)c1 1615057216 QPDZBUYELWXBTB-CQSZACIVSA-N 315.373 2.849 0 50 DFAA O=C(Nc1cccnc1-c1ccco1)N1CCC[C@H](O)CC1 1615627659 VLERXKODKHSPGS-LBPRGKRZSA-N 301.346 2.720 0 50 DFAA COc1ccnc(C(=O)Nc2cc(C)nn2[C@H](C)C2CC2)c1 1506412895 GFILUWPPUVCUBF-LLVKDONJSA-N 300.362 2.818 0 50 DFAA Cc1cc(F)ccc1N1CCC(NCCCn2cccn2)CC1 1506424784 NCRRJUYZEPDMPY-UHFFFAOYSA-N 316.424 2.979 0 50 DFAA CC(=O)c1cc(CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cs1 1704299951 OUTIKHLWNPDSFO-WBVHZDCISA-N 321.442 2.647 0 50 DFAA Cc1ccc(-c2nccn2-c2ccc3c(c2)ncn3CCO)nc1 1775979984 RBPSNEYLBCOOOU-UHFFFAOYSA-N 319.368 2.585 0 50 DFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@H]3C3(O)CC3)c2)n1 1772812917 SDURACRYGRCLIE-GOSISDBHSA-N 311.429 2.978 0 50 DFAA Cc1nc(N2CCC[C@@H](c3nc[nH]n3)C2)c2ccsc2n1 1772705488 LKDXBUISOYWUSD-SNVBAGLBSA-N 300.391 2.502 0 50 DFAA Cc1nnc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)s1 14260964 BTTVFOBDLQRAMM-UHFFFAOYSA-N 315.358 2.821 0 50 DFAA Cc1ncc(CN2CCO[C@@H](CCCc3ccccc3)C2)n1C 15061856 FYZLKBRAPWIUSC-IBGZPJMESA-N 313.445 2.952 0 50 DFAA CCNc1ncnc2sc(C(=O)NCCCSC)c(C)c12 15069440 BYYILBUSPRHKOI-UHFFFAOYSA-N 324.475 2.914 0 50 DFAA Cc1ccc(CN2CCN(C(=O)c3c(C)noc3C)CC2)cc1 16580696 IYZDIIFTBYCCLW-UHFFFAOYSA-N 313.401 2.558 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)C1 16652370 JUUXPXHUGFVDRA-OKILXGFUSA-N 308.466 2.776 0 50 DFAA c1cc(CN2CCc3[nH]nc(C4CC4)c3CC2)n2nccc2c1 1857672404 BWRSHFXHXGWQLK-UHFFFAOYSA-N 307.401 2.536 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N1CCCc2ccccc21 1440302 WAMVDNBPUUMLOY-UHFFFAOYSA-N 321.373 2.976 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC2(CCOCC2)C1 646007665 MOEONDZNTUIICP-LBPRGKRZSA-N 309.793 2.746 0 50 DFAA Cc1oc(C(=O)O)cc1CN1CCN(c2ccccc2)[C@H](C)C1 903957326 MGNPVZVICFJXTJ-CYBMUJFWSA-N 314.385 2.997 0 50 DFAA O=C(Nc1cnn(C2CCC2)c1)N[C@@H]1CCOC12CCCC2 934299855 XLACCQVTUYEWNW-CQSZACIVSA-N 304.394 2.831 0 50 DFAA Cn1c(N[C@@H]2CCc3ccccc3NC2=O)nc2ccccc21 1875279542 VPQYMFUCVABCPU-OAHLLOKOSA-N 306.369 2.939 0 50 DFAA O=C(O)C1(C(=O)N2CCc3c(Cl)cc(F)cc3C2)CC=CC1 1875277182 CFRLRWBORHYWPR-UHFFFAOYSA-N 323.751 2.785 0 50 DFAA C=CC(=O)N(CCc1cn(C)nn1)CC1CCC(C)(C)CC1 1875374327 KNRBXDUTNXVURU-UHFFFAOYSA-N 304.438 2.589 0 50 DFAA O=C(c1cnn(-c2ccc3[nH]ncc3c2)c1)c1ccccc1O 1875358877 MHPPUURIQCJVEC-UHFFFAOYSA-N 304.309 2.685 0 50 DFAA Cc1nc(NC(=O)CN2CC[C@@H](c3ccccc3)C2)nc(C)c1C 2100537241 KFGMRAKYOJYVPQ-QGZVFWFLSA-N 324.428 2.830 0 50 DFAA O=C([C@H]1CCCC(F)(F)C1)N1CC[C@@H](c2cn(C3CC3)nn2)C1 2325827083 UUMOWWYYKXVDSW-NWDGAFQWSA-N 324.375 2.754 0 50 DFAA CCN(CC)C(=S)S[C@H]1CC(=O)N(c2ccccc2)C1=O 69442 BZOBNKWHWADETQ-LBPRGKRZSA-N 322.455 2.678 0 50 DFAA Cc1ccc(S(=O)(=O)NC2CCCCC2)c2nsnc12 175589 VYPADQMWYMNLRM-UHFFFAOYSA-N 311.432 2.611 0 50 DFAA Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)c1 565211 RDDSXDCLKRBLIT-LJQANCHMSA-N 309.365 2.740 0 50 DFAA Cc1sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C(N)=O)c1C 2091084 NNCNTEPDCHMRME-LLVKDONJSA-N 321.229 2.986 0 50 DFAA CC(C)c1ccc(=Nc2cccc(N3CCN(C)C3=O)c2)[nH]n1 2356145262 IRVGGHSQBOGFSQ-UHFFFAOYSA-N 311.389 2.637 0 50 DFAA C[C@@]1(O)CCOC2(CCN(c3nc4ccccc4o3)CC2)C1 2356158860 CFNSSIGEDMJFBO-MRXNPFEDSA-N 302.374 2.728 0 50 DFAA COc1ccc(-c2cc(CN3CCC[C@H](OC)C3)[nH]n2)cc1F 2356164031 BMOTVTFYGDPDPR-AWEZNQCLSA-N 319.380 2.835 0 50 DFAA CCOC(=O)C(CCCOc1cccc(C)c1)C(=O)OCC 2885668 GBIMJHBYTJVNER-UHFFFAOYSA-N 308.374 2.896 0 50 DFAA O=C(COc1ccccc1)Nc1ccn(Cc2ccccc2)n1 6701346 MFWVMQZJOGVKIK-UHFFFAOYSA-N 307.353 2.949 0 50 DFAA Cc1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c2c(C)n[nH]c2n1 279626805 XSAGZMKGTANPST-DZGCQCFKSA-N 324.359 3.000 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(OC)cc1 249688184 IAHVGRCDCLCRQY-QZTJIDSGSA-N 316.445 2.713 0 50 DFAA CCCN(Cc1nccn1C)C(=O)c1cccc(-n2cccn2)c1 65395367 VHNKOTFLWYVSLX-UHFFFAOYSA-N 323.400 2.658 0 50 DFAA CCn1nc(C)c([C@@H](C)Nc2ncc(C)c(N(C)C)n2)c1C 65535860 YISMYIXJDCYVFE-LLVKDONJSA-N 302.426 2.857 0 50 DFAA COc1ccc2c(C)nc(N3CCC[C@@H](CCCO)C3)nc2c1 67790159 NHICYOJMNUHDFM-AWEZNQCLSA-N 315.417 2.936 0 50 DFAA O=C(Cc1csc(-c2ccccc2)n1)N1CCc2[nH]cnc2C1 67920052 UGDGFJDZHUASFN-UHFFFAOYSA-N 324.409 2.661 0 50 DFAA CCCN1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 20514210 QBTSKETWQQEHIV-SFHVURJKSA-N 305.441 2.822 0 50 DFAA CN(C(=O)[C@H]1C[C@H]1c1cccnc1)c1nc2ccccc2n1C 120302477 BTOZKCDSMWODDZ-KBPBESRZSA-N 306.369 2.735 0 50 DFAA Cc1cnn(CCCNC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 252512436 QOIHBZMSDISMKV-BZUAXINKSA-N 304.438 2.944 0 50 DFAA CC(C)(C)CN1CCC(CNC(=O)c2cccc(O)c2)CC1 67446539 XHSAAMPGIPZHOF-UHFFFAOYSA-N 304.434 2.880 0 50 DFAA CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(F)cc1 167951 GEPVKHKUCHIVKA-UHFFFAOYSA-N 302.305 2.579 0 50 DFAA Cc1nn(C)c(C(=O)N[C@H](C)CN(C(C)C)C(C)C)c1Cl 2781497 ZOWQAKNICKMDJB-LLVKDONJSA-N 314.861 2.619 0 50 DFAA C[C@@H](c1ccccc1)[C@@H](NCc1ccc(F)c(F)c1)C(N)=O 428841429 CLZLSZKJOXAKOG-MEDUHNTESA-N 304.340 2.712 0 50 DFAA CO[C@@H](C(=O)N1CCC(c2ccncn2)CC1)c1ccccc1 217649074 YOZNWBYJNRCLSW-QGZVFWFLSA-N 311.385 2.570 0 50 DFAA CC(C)OCCCN(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328624196 CGGAFAKURBTHSR-FUHWJXTLSA-N 322.497 2.550 0 50 DFAA c1ccc2c([C@@H]3C[C@H]3N=c3ncnc4[nH][nH]cc3-4)cccc2c1 362374358 WHXMGPVCMAVZHN-GOEBONIOSA-N 301.353 2.848 0 50 DFAA O=C(Nc1ccccc1CCO)c1ccccc1[C@@H]1CCNC1 72153116 GSVVDEUMPCZLKQ-OAHLLOKOSA-N 310.397 2.551 0 50 DFAA Cc1cc(O)nc([C@H](C)Sc2nnc(OC(C)C)s2)n1 155940885 UNWKCFPVIXOQLG-QMMMGPOBSA-N 312.420 2.983 0 50 DFAA C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 172178523 ZPYIDMKVPCUXLB-HUUCEWRRSA-N 323.481 2.855 0 50 DFAA CCc1cc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)on1 33270436 LMZMCYXEGOQNCW-OAHLLOKOSA-N 320.414 2.904 0 50 DFAA C[C@H]1CCCC[C@@H]1NC(=O)Nc1nnc(C2CCOCC2)s1 333724750 VTPUZIKCFQRWSL-JQWIXIFHSA-N 324.450 3.132 0 50 DFAA C[C@@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)N1CCCC1 72419674 VAFUEZRWXRLSIK-HNNXBMFYSA-N 318.461 2.604 0 50 DFAA COc1cc(C)ccc1C(=O)N1CCC[C@H](CCC(=O)O)C1 223414402 AYROQDFUMPTFKQ-CYBMUJFWSA-N 305.374 2.721 0 50 DFAA CCC[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1N(C)C 82160537 KRILFDZQVMGKAC-SJLPKXTDSA-N 313.445 2.830 0 50 DFAA CC(C)(C)c1cn(C[C@H]2CCCN(CC3CCOCC3)C2)nn1 19788772 XDPIPPCJFGWNQH-INIZCTEOSA-N 320.481 2.714 0 50 DFAA CC(C)n1ccc(C(=O)N(C)C[C@H]2OCCc3ccccc32)n1 265059575 RBCPMTDEBOYVES-QGZVFWFLSA-N 313.401 2.850 0 50 DFAA O=C(NCc1ccc2nsnc2c1)N1C[C@H]2CC=CC[C@H]2C1 426425223 KYGMJGUUIBORAN-BETUJISGSA-N 314.414 2.799 0 50 DFAA CCN(Cc1cnn(CC)c1)C(=O)NCc1ccc(F)cc1F 426465151 JMQOCFBSRQZZTJ-UHFFFAOYSA-N 322.359 2.913 0 50 DFAA c1sc(CN2C[C@@H]3CCN[C@@H]3C2)cc1CN1CCCCC1 426517678 VDTZUTLUWLYORV-DOTOQJQBSA-N 305.491 2.528 0 50 DFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1CC1(C)C 178767226 MRDBMUANCMWXES-BXUZGUMPSA-N 309.431 2.656 0 50 DFAA CCc1csc(CNC(=O)[C@H]2COc3ccccc3C2)n1 92028455 VTOFUFJNNSTRLY-GFCCVEGCSA-N 302.399 2.573 0 50 DFAA CCCCNC(=O)Nc1ccc(-c2nc3c([nH]2)CCNC3)cc1 95375937 JFYHEFFTXRHAES-UHFFFAOYSA-N 313.405 2.644 0 50 DFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccccc2Br)C1 178995630 HVANNPCQJNVACD-SYTKJHMZSA-N 323.234 2.530 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)Nc2cccc3cn[nH]c23)C1 96163558 LORBMZRSQJFFIX-GFCCVEGCSA-N 302.378 2.843 0 50 DFAA CCc1ccccc1OC1CN(C(=O)c2cnc(C3CC3)nc2)C1 95386220 MSQAAZIXLOGUSI-UHFFFAOYSA-N 323.396 2.820 0 50 DFAA Cc1nc2scc(C3CC3)n2c1CN[C@H]1CC[C@@H](CO)C1 297412593 LNOFTKMESVIBJQ-YPMHNXCESA-N 305.447 2.832 0 50 DFAA COc1ccccc1-c1cc(CNC(=O)[C@@H]2CCCCO2)on1 299785149 JMCRYKKOPPHMJU-INIZCTEOSA-N 316.357 2.536 0 50 DFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)CN2CCCCC2)cc1 828052075 ABLXWYSEBHHLGO-CQSZACIVSA-N 315.417 2.626 0 50 DFAA Cc1noc([C@@H](NC(=O)NCc2ccc(C)c(C)n2)C(C)C)n1 1365401221 KGYBGJYYGAKEJV-AWEZNQCLSA-N 317.393 2.586 0 50 DFAA C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H](C)S1=O 408340160 DKJWBKOTTYUCDC-NXEZZACHSA-N 324.833 2.803 0 50 DFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1sc(C)nc1C 1565530995 LUTMQTLJNWWRSR-KBPBESRZSA-N 324.446 2.630 0 50 DFAA COCC[C@H](C)Nc1ccc2nnc(-c3ccsc3)n2n1 185983913 GGRJJXMOSUKFCH-JTQLQIEISA-N 303.391 2.690 0 50 DFAA Cc1cc(CN(C)C(=O)c2cc(O)ccc2C(F)(F)F)no1 189053896 CKUHEDHHOXIUGD-UHFFFAOYSA-N 314.263 2.980 0 50 DFAA COCCN(C(=O)c1cccc(C(=O)O)c1)[C@@H]1CC[C@@H](C)C1 668300592 QZBSYHNNTZMSGQ-IUODEOHRSA-N 305.374 2.662 0 50 DFAA Nc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)ccn1 191571476 RQKKXOFXXLKLKT-UHFFFAOYSA-N 307.401 2.920 0 50 DFAA CCOC(=O)CCC(=O)Nc1cc2c(cc1Cl)CCC2=O 191802298 OTHJPVZUTRJTKH-UHFFFAOYSA-N 309.749 2.751 0 50 DFAA CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1noc(C2CC2)n1 585123447 MDYHBMXIXFSLCI-INIZCTEOSA-N 307.394 2.643 0 50 DFAA NC(=O)NC1CCN(Cc2ccc(Oc3ccccc3)o2)CC1 195556506 KSEVSBOCBLYVEU-UHFFFAOYSA-N 315.373 2.705 0 50 DFAA O=C1[C@@H](N[C@H]2CCCn3nccc32)CCCN1C1CCCCC1 657986352 VYUSLWXQZYDLTL-HOTGVXAUSA-N 316.449 2.631 0 50 DFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)Cc1cccnc1 1506397767 YQPBZMZMQRTBND-UHFFFAOYSA-N 320.352 2.734 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)Nc1nnc([C@H](C)OC)s1 1529101937 RJXBTXLEIMOXEZ-VIFPVBQESA-N 323.422 2.838 0 50 DFAA CCCc1noc(-c2ccn3c(CN(C)CCC)nnc3c2)n1 1775973250 NWWJUHOVGJBVBS-UHFFFAOYSA-N 314.393 2.574 0 50 DFAA COc1cc(-c2nc(C)c(C(=O)O)s2)cc(OC)c1OC 5592398 RJAHEEXALIVZOV-UHFFFAOYSA-N 309.343 2.843 0 50 DFAA OCCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1 12297114 CBTJDVIUDOGZHW-UHFFFAOYSA-N 310.397 2.871 0 50 DFAA biogenic Cc1cc(=O)[nH]c(SCC(=O)c2c(C)[nH]c3ccccc23)n1 18212813 VCIFJMMMGOHVEU-UHFFFAOYSA-N 313.382 2.843 0 50 DFAA O=C(O)CCCCc1c(O)nc(S)nc1-c1ccccc1 19892765 AVKMAZQIJFECCS-UHFFFAOYSA-N 304.371 2.935 0 50 DFAA Cc1nc(Cc2ccc3nc(C)[nH]c3c2)n(CC(F)(F)F)n1 1857676144 OZZMPEBAQHKMGG-UHFFFAOYSA-N 309.295 2.924 0 50 DFAA COc1cnc(C)cc1C(=O)NCCc1nc2ccccc2o1 1857677239 SSFGBOGFERNAAN-UHFFFAOYSA-N 311.341 2.512 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cncc(Cl)c1 1857666884 JCYGKURHMAYAHS-YWPYICTPSA-N 308.765 2.593 0 50 DFAA CCSCc1ccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 225462189 IRQKSVABCCXEFH-MRXNPFEDSA-N 307.415 2.877 0 50 DFAA CC(C)(CNC(=O)c1cccc(C(N)=O)c1)c1cccs1 114427328 NPRISZIVCRIOOC-UHFFFAOYSA-N 302.399 2.555 0 50 DFAA Cc1cc(C(=O)N[C@@H](CCO)C2CCOCC2)ccc1Cl 330888760 GIGOZQZSQSSJRA-HNNXBMFYSA-N 311.809 2.556 0 50 DFAA CC(C)[C@H]1CN(c2ccc(OCC(F)(F)F)nn2)CCCO1 663947571 QGZYWJZOIIFUNU-LLVKDONJSA-N 319.327 2.669 0 50 DFAA Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)n1 248070635 GEIHCXHKLIPZHW-IRXDYDNUSA-N 313.445 2.727 0 50 DFAA Cc1c([C@@H]2CCCN2[C@@H]2CCc3ccccc3NC2=O)cnn1C 253394470 VRNKJWKYKBEKAH-ZWKOTPCHSA-N 324.428 2.819 0 50 DFAA CC(C)c1csc(CN2CCC[C@H](N3CCOCC3)C2)n1 23095246 NRXLNIQSJPDDLI-AWEZNQCLSA-N 309.479 2.563 0 50 DFAA C=CC(=O)N(Cc1c(C)cnn1COC)c1ccc(F)cc1C 1875375529 CWFULJZQEBECJK-UHFFFAOYSA-N 317.364 2.962 0 50 DFAA CCNC(=O)N1CCCc2c1ccc(OC)c2Br 1875316813 HXIQSZGYNUEKMH-UHFFFAOYSA-N 313.195 2.940 0 50 DFAA CN(C1CC(c2cccnc2)C1)S(=O)(=O)[C@H]1CC12CCC2 1875397408 YVKIBLCWTQLOHV-NRXISQOPSA-N 306.431 2.532 0 50 DFAA CC(C)(C)OC(=O)N1CCCC[C@@H]1Cc1cc(C(=O)O)no1 958720327 MFGMKQQMYQWAKN-SNVBAGLBSA-N 310.350 2.705 0 50 DFAA COc1ccccc1O[C@H]1CCCN(c2cccc3nncn23)C1 893842714 URZRPMHTHYSZAG-AWEZNQCLSA-N 324.384 2.786 0 50 DFAA Cn1nc(C(=O)N2CCCc3ccccc32)c2ccccc2c1=O 1431669 CXPDLRXHFDYOFZ-UHFFFAOYSA-N 319.364 2.527 0 50 DFAA CN(Cc1cc2cnccc2[nH]1)Cc1nccn1CC(F)(F)F 2325860077 WUUILCOVTXZDLF-UHFFFAOYSA-N 323.322 2.954 0 50 DFAA c1ccc2c(c1)CCO[C@@H]2CNC[C@@H]1COc2ccccc2O1 186665 DEALWTNJDFBZRM-DNVCBOLYSA-N 311.381 2.730 0 50 DFAA O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2s1 306592 OTYLRQLNSUFDGZ-UHFFFAOYSA-N 317.414 2.931 0 50 DFAA Cc1cccc(C)c1OCC(=O)Nc1ccc(O)cc1C(=O)O 2835187 QETSFQQGGOFLTK-UHFFFAOYSA-N 315.325 2.725 0 50 DFAA CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1 4277329 KIRRXZPLONWSFO-UHFFFAOYSA-N 312.391 2.956 0 50 DFAA O=C1C[C@@H](N2CCc3ccccc3C2)C(=O)N1c1ccc(F)cc1 4550450 TVOPXEKNQCCCGC-QGZVFWFLSA-N 324.355 2.516 0 50 DFAA O=[N+]([O-])c1ccc(/C=N/Nc2cc[n+]([O-])c3ccccc23)cc1 4957492 GGGHHAPOZFLWBR-GZTJUZNOSA-N 308.297 2.827 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 225662412 VDJYKSIDUDOJCO-XCBNKYQSSA-N 309.728 2.801 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)Nc1nccs1 115553517 NFFRTVDQSBEQFB-OCCSQVGLSA-N 301.415 2.960 0 50 DFAA CS[C@H](C)CCNC(=O)C1(c2ccccc2)CCNCC1 133283462 HMCOPBDMMQCDQI-CQSZACIVSA-N 306.475 2.566 0 50 DFAA Cc1nccn1CC[C@H]1CCCCN1Cc1ccc(CO)o1 65423112 WZFSACSSRRBZLD-OAHLLOKOSA-N 303.406 2.722 0 50 DFAA CN(CC[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)s1 62193438 JTANUHJMOZIHIX-JTQLQIEISA-N 323.867 2.981 0 50 DFAA Cc1cccc(C)c1NCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 245885885 KTZDEOZWLTVYES-ZTFGCOKTSA-N 314.429 2.789 0 50 DFAA CCOC(=O)[C@@H]1CCCCN1Cc1coc2ccccc2c1=O 22591150 GTVVDLJQNNQQQL-HNNXBMFYSA-N 315.369 2.711 0 50 DFAA CCc1ncc2c(n1)CN(C(=O)c1ccc(F)c(Cl)c1)C2 67822164 FOIGVGMGINDSSD-UHFFFAOYSA-N 305.740 2.988 0 50 DFAA CCOc1nnc(CN2c3ccccc3CC[C@H]2CCO)s1 425493332 QMGMPOWJZHNZND-ZDUSSCGKSA-N 319.430 2.641 0 50 DFAA Cc1nc(C)c(CN(Cc2cccnc2)C[C@H]2CCNC2)s1 328625610 DIQLRIAMNQLKMA-INIZCTEOSA-N 316.474 2.767 0 50 DFAA CCn1cc(CCN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 253396763 ICGHFXBJXUJYAD-PBHICJAKSA-N 321.371 2.532 0 50 DFAA Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@H]3CCCOC3)C2)c1 253397409 SRZOVHBOZJRVRD-GUYCJALGSA-N 309.356 2.958 0 50 DFAA O=C(c1ccnn1CC(F)F)N1CCS[C@H]2CCCC[C@@H]21 253432023 WBNNAGKUGMRVKZ-JQWIXIFHSA-N 315.389 2.648 0 50 DFAA O[C@H](CN1CC(n2cc(-c3ccccc3)nn2)C1)c1ccccc1 253419070 HWYJUUNQSSLBPQ-LJQANCHMSA-N 320.396 2.535 0 50 DFAA Cc1cc2nc(C(C)C)cc(NCCCN3CCCC3=O)n2n1 72479570 CEJMOSYPIWEQBY-UHFFFAOYSA-N 315.421 2.586 0 50 DFAA CC(=O)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)s1 332090478 LYBYUZXSMCNIGU-UHFFFAOYSA-N 317.414 2.700 0 50 DFAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCc2nn[nH]c2C1 332584463 JEISXOLCWKWYNP-ZYHUDNBSSA-N 318.808 2.783 0 50 DFAA COCC1(C(=O)N2CC[C@@H](c3ccccc3C(=O)O)C2)CCC1 72163123 SGCDAURMJZBWQL-CYBMUJFWSA-N 317.385 2.517 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC(c2ccccc2)=NO1 239366954 AGXHDVLWRJDULZ-CGTJXYLNSA-N 306.365 2.852 0 50 DFAA CC[C@H]1CCN(C(=O)c2ccc(-c3nnc(S)o3)cc2)C1 127806835 JXYJASAOOSKDRD-JTQLQIEISA-N 303.387 2.897 0 50 DFAA CCn1ccnc1[C@H](C)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O 333885780 FRZCESNBWLZWFT-CRWXNKLISA-N 316.405 2.559 0 50 DFAA O=S(=O)(CC1CCCCC1)N1CCC(c2ccncn2)CC1 333919113 OUHRKYHDKQXYGZ-UHFFFAOYSA-N 323.462 2.566 0 50 DFAA C[C@@H]1CCC[C@H](C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)C1 455879699 DGSNZOJGGYWTRP-WPGHFRTFSA-N 317.385 2.690 0 50 DFAA CCc1cc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)nc(C)n1 283531830 NVDJSHZPDLENNN-NVXWUHKLSA-N 313.401 2.668 0 50 DFAA Cc1cc2c(=O)n(NC(=O)c3ccoc3C)c(=S)[nH]c2s1 17055777 JJMQUAJBIWRXRX-UHFFFAOYSA-N 321.383 2.714 0 50 DFAA CCC1(C(=O)NCC2(CN3CCOCC3)CCCCC2)CCC1 175659268 DDSJOXSJRGXNSJ-UHFFFAOYSA-N 322.493 2.966 0 50 DFAA CC(C)n1cnnc1CCNC(=O)c1cc(Cl)ccc1F 223885219 QFTOMFULNRYBRB-UHFFFAOYSA-N 310.760 2.624 0 50 DFAA CCn1ccnc1[C@@H]1CCCN(c2nc(C)ccc2C(=O)O)C1 92081884 ROJGYDFMOBHPER-CYBMUJFWSA-N 314.389 2.689 0 50 DFAA NC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Br)C1 178564312 XKPQEYKFCXHHJK-QMMMGPOBSA-N 317.614 2.523 0 50 DFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1SC(Cl)(Cl)Cl 95929252 LDVVMCZRFWMZSG-PHDIDXHHSA-N 300.594 2.914 0 50 DFAA in-vitro COCCN1CC2(CCC1=O)CCN(C[C@H]1CC=CCC1)CC2 91594865 LQDJCDPAXCQERS-KRWDZBQOSA-N 320.477 2.694 0 50 DFAA CCc1n[nH]c2c1CN(Cc1cc(-c3cccnc3)no1)CC2 244794698 QRWYZZCTRVKMAN-UHFFFAOYSA-N 309.373 2.580 0 50 DFAA Cn1cnc(NC(=O)CCCc2csc3ccccc23)n1 294344012 AVRRNQIFJZWEQX-UHFFFAOYSA-N 300.387 2.991 0 50 DFAA CN1CC[C@]2(CCN(C(=O)Nc3nc(C4CCC4)cs3)C2)C1 296775822 PGZVKRCIGRAXPD-INIZCTEOSA-N 320.462 2.970 0 50 DFAA Cc1cc(C)n(Cc2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)n1 299751094 PLZJZQDJWSATSO-JSGCOSHPSA-N 304.394 2.850 0 50 DFAA Cc1ccc(C)c(CN2CCC(=O)N(Cc3cccnc3)CC2)c1 299767976 DEXPMHQJWPNXSS-UHFFFAOYSA-N 323.440 2.933 0 50 DFAA Nc1nc(CCCN[C@@H]2CCN(c3ccccc3)C2)cs1 827597710 FMGLTPGFMHZJJY-CYBMUJFWSA-N 302.447 2.526 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)c2ccc(F)cc2)C1 958528607 WHTHMECBLHHBPP-WMLDXEAASA-N 324.396 2.588 0 50 DFAA CC1=C(C(=O)NCC2(c3ccc(Cl)cc3)CC2)OCCO1 952982771 MMOPAZXVDOLGKU-UHFFFAOYSA-N 307.777 2.766 0 50 DFAA CSCC1CCC(NC(=O)c2cccn3nccc23)CC1 880178457 HAHJJKFSTQUWTJ-UHFFFAOYSA-N 303.431 2.986 0 50 DFAA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)CCc1ccccc1 269937330 ZAUFAVWTRIRQMU-IRXDYDNUSA-N 315.413 2.606 0 50 DFAA COCCc1cc(NC(=O)Nc2cc(C)ccc2C)n(C)n1 170604540 DVGUFRZYFIXBOP-UHFFFAOYSA-N 302.378 2.870 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CC[C@@H](C3CCOCC3)C2)c1 634692077 UBUBTZKUEWIELL-NVXWUHKLSA-N 319.401 2.569 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)NC1(Cc2cccc(F)c2)CCC1 189963128 LQCVGKAKOMVOJD-UHFFFAOYSA-N 315.392 2.990 0 50 DFAA CC1(CNC(=O)c2ccc(F)cc2C(F)(F)F)OCCCO1 191130381 BGRMAXXFODASLB-UHFFFAOYSA-N 321.270 2.727 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(Cl)ccc2C)C1 644120333 XXEIEAQGHBCLRM-OCCSQVGLSA-N 319.792 2.974 0 50 DFAA CCn1cc(CNC(=O)N2CCC[C@H]2c2ccccc2C)nn1 661719213 UFUXMCYMACWLSO-INIZCTEOSA-N 313.405 2.653 0 50 DFAA CCOCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212421006 HPEIYQCMQFUOKT-MSOLQXFVSA-N 313.397 2.553 0 50 DFAA Cc1nnc(CN2CCC[C@H](c3nc(CC(C)C)no3)C2)s1 1529186383 CTYAKKZCQQDJLV-LBPRGKRZSA-N 321.450 2.808 0 50 DFAA COCC1(Nc2nnc([C@H](N)Cc3ccccc3)o2)CCCC1 1772702303 RNOISPUTGOHVDA-CQSZACIVSA-N 316.405 2.683 0 50 DFAA CCN(C)C(=O)c1coc(COc2cccc3cccnc23)n1 12026275 NSQFTMRQUZVKCI-UHFFFAOYSA-N 311.341 2.894 0 50 DFAA CN(Cc1ccccn1)C(=O)c1coc(COc2ccccc2)n1 12460230 NOZSWYYSOUIYDS-UHFFFAOYSA-N 323.352 2.921 0 50 DFAA CC[C@](O)(c1ccc(O)cc1)[C@@](O)(CC)c1ccc(O)cc1 14807120 MOGCNGHSEICQCE-HDICACEKSA-N 302.370 2.993 0 50 DFAA COc1ccc(CN2CCN([C@@H](C)C3CCC3)CCC2=O)cc1 14969626 GISGJKWXZCWGTK-HNNXBMFYSA-N 316.445 2.918 0 50 DFAA COc1cc(CN2CCNCC2)ccc1OCc1ccccc1 19737255 UGXXTNMWSZPWFR-UHFFFAOYSA-N 312.413 2.679 0 50 DFAA c1ccc(-c2noc(-c3cncnc3NC[C@@H]3CCCO3)n2)cc1 169775558 BZRVJBUKYTZPQP-ZDUSSCGKSA-N 323.356 2.785 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CCc1cccc(OC)c1 1857677566 IGCDSGYTLJQWSO-WDYCEAGBSA-N 317.429 2.780 0 50 DFAA C[C@H](NC(=O)N[C@@H]1CSc2ccccc21)c1cnn(C)c1 408513026 LLGJHSSVJPOTHY-GXFFZTMASA-N 302.403 2.627 0 50 DFAA O=C(N[C@@H]1CCc2c(Cl)cccc21)[C@@H]1CC12CCNCC2 237895727 UONHYQKHIKIMDA-DZGCQCFKSA-N 304.821 2.833 0 50 DFAA O=CN1CCC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 585133331 FRTIHIKVMJACAF-LLVKDONJSA-N 322.162 2.792 0 50 DFAA COC(=O)c1cnc(NC(=O)c2ccccc2OC(C)C)s1 264371127 MUDOERUMWNJQIV-UHFFFAOYSA-N 320.370 2.969 0 50 DFAA CC(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704343699 YABIDAFINFFRRE-IBGZPJMESA-N 307.397 2.970 0 50 DFAA COc1cc(O)ncc1C(=O)N1CC[C@H](C)c2cccc(O)c21 935426939 DKGMPVGRORWGDG-JTQLQIEISA-N 314.341 2.655 0 50 DFAA CCCNC(=O)c1cccc(CNC2[C@H](C)COC[C@H]2C)c1 863984650 XRIPMILZDUCBLC-ZIAGYGMSSA-N 304.434 2.587 0 50 DFAA CCc1nnc([C@H]2CCCN(Cc3nc(C4CC4)no3)[C@H]2C)o1 952852697 NGKNGNWVHBGKAL-JQWIXIFHSA-N 317.393 2.661 0 50 DFAA NS(=O)(=O)c1ccc(N2CCC[C@@H](c3ccccc3)C2)cc1 952994943 XHVIZZQPIUUZHF-OAHLLOKOSA-N 316.426 2.718 0 50 DFAA CN(C[C@H]1CCNC1)c1cncc(-c2ccc3cnccc3c2)n1 1875312846 CIUODBTVTJUNJF-AWEZNQCLSA-N 319.412 2.738 0 50 DFAA O=C(Cc1cn2cc(F)ccc2n1)N[C@H]1CCCc2cccnc21 885380167 MYEZEQAKDQPEHA-HNNXBMFYSA-N 324.359 2.605 0 50 DFAA c1nc(C2CC2)oc1CN1CCn2c(nnc2C2CCCC2)C1 888100630 WTVOWNPGLWLRAA-UHFFFAOYSA-N 313.405 2.817 0 50 DFAA CCOc1cncc(CN2CCOC[C@@H]2c2nc(C)cs2)c1 888100669 CZOBJZGHZCVMMR-OAHLLOKOSA-N 319.430 2.819 0 50 DFAA Cc1cc(=O)oc2cc(Oc3nnnn3-c3ccccc3)ccc12 615876 AQJVDGPGFRBYBI-UHFFFAOYSA-N 320.308 2.869 0 50 DFAA C[C@@H](C[C@H](C)C(=O)N1CC2CC1(C)C2)C(=O)N1CC2CC1(C)C2 2325766574 RSHFQAKXKAKKLM-RQMOSUNNSA-N 318.461 2.671 0 50 DFAA CN1CCCC[C@@H](Nc2cncc(-c3ccc(F)cc3)n2)C1=O 2325807159 FGDJXTYEFJSLIE-CQSZACIVSA-N 314.364 2.706 0 50 DFAA C[C@@H]1C[C@H]2CN([C@H](C)C(=O)c3c[nH]c4ccccc34)CCN2C1 2325853904 GVHIQDIUBDXZKL-KFWWJZLASA-N 311.429 2.765 0 50 DFAA CN(CCn1ccnc1)Cc1ccc2cc(F)c(F)cc2n1 2325858978 IZAIJTFTHZQZGU-UHFFFAOYSA-N 302.328 2.842 0 50 DFAA COc1ccc([C@@H]2OC(=O)Cc3cc(OC)c(OC)cc32)cc1 52498 YSLHFTHLNLJRBX-SFHVURJKSA-N 314.337 2.901 0 50 DFAA biogenic Nc1nc(CS(=O)(=O)c2ccc3ccccc3c2)cs1 199084 YCJGSUFREAGFQK-UHFFFAOYSA-N 304.396 2.852 0 50 DFAA COC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccccc1 2756188 ZIDHOAUPZOTOPG-HNNXBMFYSA-N 307.390 2.550 0 50 DFAA COCCCNCCOCCOc1c(C)cc(C)cc1Cl 2975042 CYKVPGVDSIZTSQ-UHFFFAOYSA-N 315.841 2.978 0 50 DFAA CN1CCN(c2ccccc2NC(=O)c2cccc(F)c2)CC1 4385386 WTSLEADHZSEEMQ-UHFFFAOYSA-N 313.376 2.830 0 50 DFAA Cc1cccc(C(=O)NC[C@@H](C)NC(=O)c2cccc(C)c2)c1 4950383 DSESQRLFJSIIDV-OAHLLOKOSA-N 310.397 2.852 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 133491153 KQVYVCVFVFMDQJ-CQSZACIVSA-N 301.365 2.506 0 50 DFAA COC[C@H]1CCCN(C(=O)c2ccc(NC3CCC3)nc2)C1 20208406 OQJFRTYCCKSTGY-ZDUSSCGKSA-N 303.406 2.545 0 50 DFAA C=CC(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 100518082 RYIDOMDNGFJLOF-LSDHHAIUSA-N 311.337 2.624 0 50 DFAA C[C@@]1(Cc2ccccc2)OC(=O)N(Cc2ccccn2)[C@]1(C)O 1421489 RWFGFBQNXTZVIS-ZWKOTPCHSA-N 312.369 2.744 0 50 DFAA CN1CCC2(CCN(C[C@@]3(c4ccccc4)CCOC3)CC2)C1 215186535 XWFCJVWEDMVNIY-FQEVSTJZSA-N 314.473 2.762 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@@H]1O 72117285 HAOKOWUZLBYDOR-UBHSHLNASA-N 311.809 2.869 0 50 DFAA Cc1nc([C@@H](C)N(C)C(=O)CCc2csc(N)n2)c(C)s1 77422140 VUOUCGAETMCDPN-MRVPVSSYSA-N 324.475 2.951 0 50 DFAA CN(C[C@H]1CCCOC1)c1nccc(OCc2ccccc2)n1 131046878 YOTXWCNPRNGUTO-MRXNPFEDSA-N 313.401 2.918 0 50 DFAA Cc1ccc(-n2ncc(C(=O)N[C@H](C)C(=O)O)c2C(C)C)cc1 236711022 QKKGZYHDMBGERJ-GFCCVEGCSA-N 315.373 2.507 0 50 DFAA O=C(C1CCNCC1)N1CCC[C@@H]1Cc1ccccc1Cl 237893990 SGPLRZLBYIRZMI-OAHLLOKOSA-N 306.837 2.873 0 50 DFAA CN(CC[C@H](O)c1ccccc1)Cc1cn(-c2ccccc2)nn1 72138847 QEGIFVAXMBECMH-IBGZPJMESA-N 322.412 2.823 0 50 DFAA CN(C(=O)c1ccncc1)[C@@H]1CCCN(CCc2ccccc2)C1 14967013 CBBAQHWMRCMQFL-LJQANCHMSA-N 323.440 2.861 0 50 DFAA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CCC(=O)O)c1 263385028 CMDHIWLNUUXQLQ-GDBMZVCRSA-N 305.374 2.703 0 50 DFAA COc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C)c1 136306439 NEGQJMBXYFWYQC-UOVKNHIHSA-N 303.358 2.689 0 50 DFAA Cn1c(C(=O)NCC[C@H]2CCOC2)cc2c(Cl)cccc21 426487251 BCXXSJXYRAGCFN-NSHDSACASA-N 306.793 2.988 0 50 DFAA O=C(O)c1cc(-c2cccs2)nc2c(Br)cnn12 20615645 KQFRFFBQIOIUJI-UHFFFAOYSA-N 324.159 2.919 0 50 DFAA CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1nc(C)c[nH]1 91305777 ASXGRKXIEKUJQJ-CQSZACIVSA-N 309.373 2.989 0 50 DFAA Cc1cccc2oc(CNC(=O)CC[C@H]3CCCN(C)C3)nc12 91593891 YAASWXKXIIAXBC-CQSZACIVSA-N 315.417 2.874 0 50 DFAA O=C(O)c1ccc(/C=C/C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 237950643 ITPIHAXLFCWINB-UIOUNXJESA-N 315.369 2.568 0 50 DFAA C[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)c2cccc(F)c2O1 292490189 YQYGQTFOKGSIRI-SNVBAGLBSA-N 318.352 2.600 0 50 DFAA CCc1ncnc(N[C@H](CC(N)=O)c2cccc(Cl)c2)c1F 179322516 FLXWFASXWHAGOD-GFCCVEGCSA-N 322.771 2.860 0 50 DFAA Cc1noc(C)c1[C@H](C)CNC(=O)c1c[nH]nc1C(C)(C)C 293686139 XFTSVSQJUPKZDT-SECBINFHSA-N 304.394 2.846 0 50 DFAA COc1nc(C(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)co1 625842686 UDQKROPECRWOEO-WFASDCNBSA-N 316.357 2.594 0 50 DFAA C[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H]1C1CCCCC1 299048506 VLODPVCJABMJPF-ZFWWWQNUSA-N 318.417 2.969 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)CC1Cc2ccccc2C1 252479629 BIXMPOFJPMVHOY-UHFFFAOYSA-N 312.417 2.623 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 299745337 YCQRCEICVNZNPA-CYBMUJFWSA-N 303.358 2.555 0 50 DFAA CCCc1ncncc1C(=O)NC[C@@H](C)c1nc(C)cs1 299769900 KAPCJLZVZRJOEA-SNVBAGLBSA-N 304.419 2.728 0 50 DFAA CCc1ccccc1NC(=O)CCC(=O)NC[C@H]1CCCCO1 823536660 AEYQFOHQZXMXDJ-OAHLLOKOSA-N 318.417 2.653 0 50 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JHLOAEGPFUAKGL-MRXNPFEDSA-N 310.353 2.977 0 50 DFAA O=S(=O)(Cc1noc([C@@H]2C[C@@H]3C=C[C@H]2C3)n1)c1ccccc1 19220875 XLUBIGPPUUKBFO-MBNYWOFBSA-N 316.382 2.723 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 19792325 OESYKOSTJSFQQI-KRWDZBQOSA-N 324.424 2.798 0 50 DFAA COc1ccc(C=C(C)CN2CCC[C@H](CNC(C)=O)C2)cc1 1857528182 GHITVWGILXOKTR-GOSISDBHSA-N 316.445 2.947 0 50 DFAA CN1C[C@@H](Cn2ccnc2-c2ccc3cccc(F)c3n2)CC1=O 1857672196 BSMVCQWBDAUWPD-LBPRGKRZSA-N 324.359 2.716 0 50 DFAA O=C(c1csc2ccccc12)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857701620 XDNYNFGOISAIMR-BYCMXARLSA-N 317.410 2.513 0 50 DFAA Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1 320204655 OTDLZOGDZYBYGH-UHFFFAOYSA-N 323.345 2.942 0 50 DFAA Cc1cnc(-c2noc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2)s1 333071143 GOBWMSVESWZATA-SECBINFHSA-N 306.391 2.616 0 50 DFAA O=C(Nc1cncc(Br)c1O)[C@@H]1[C@H]2CCCC[C@H]21 245827674 FVODFSDYWKYBKX-VROVMSAKSA-N 311.179 2.924 0 50 DFAA Cc1cccc(C(=O)N2CCC(O[C@@H]3CCOC3)CC2)c1C 359636959 QEBCUTQGPNEXSP-MRXNPFEDSA-N 303.402 2.714 0 50 DFAA CCOc1ccc(CNC(=O)N[C@H]2CC[C@H](CO)CC2)cc1C 153470143 WJBITDOMJUQIKM-FZNQNYSPSA-N 320.433 2.744 0 50 DFAA COc1cccc([C@@H](C)C(=O)N(Cc2cnn(C)c2)C2CC2)c1 1875273719 MVJNTJWAFGTBCO-CYBMUJFWSA-N 313.401 2.723 0 50 DFAA C[C@H]1CCN(c2cc(C3CCCCC3)ncn2)[C@H](C(N)=O)C1 1875288106 NNWBVYUEJPWSBL-WFASDCNBSA-N 302.422 2.615 0 50 DFAA CN(Cc1ccncc1)C(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 876786634 JVBMCPFLDWNUEH-AWEZNQCLSA-N 323.318 2.759 0 50 DFAA Cc1n[nH]cc1-c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1C 1875308058 QXSKDXRKYFRWIJ-ZKYQVNSYSA-N 300.410 2.529 0 50 DFAA C=CC(=O)N1CCC(C(=O)Nc2cccc(OCCC)c2)CC1 1875370250 HOEIPDKOORMAGJ-UHFFFAOYSA-N 316.401 2.839 0 50 DFAA Cc1cc(C)n([C@H]2CCCN(c3cc(N)ncc3Cl)C2)n1 892386766 ONJYGIIBHOUHRI-LBPRGKRZSA-N 305.813 2.972 0 50 DFAA CC(=O)c1ccc(C(F)(F)F)nc1N1CCc2nc[nH]c2C1 1771784868 AGHJOHIRMIJKJM-UHFFFAOYSA-N 310.279 2.589 0 50 DFAA Cc1cnc(C(C)(C)NC(=O)[C@@H]2COc3ccc(Cl)cc32)[nH]1 1775986583 DZDOEJOXCICEIZ-GFCCVEGCSA-N 319.792 2.899 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3[C@H]4CCOC[C@@H]43)cc2)c1C 2325767757 RNLXTQWINXKRHF-YESZJQIVSA-N 311.385 2.710 0 50 DFAA O=C1CC[C@@H](NC[C@@H]2CCN2C2CC2)c2cc(Cl)ccc2N1 2325773826 JGDRNZOEQIVFEX-DZGCQCFKSA-N 319.836 2.940 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)cc1 40571837 DTQXUVAIYAZARB-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA O=C(C[C@@H]1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1 52734 GPLYEGKLYDKKAN-JTQLQIEISA-N 319.213 2.554 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1OC 270146 MMDROVSUXISCNH-UHFFFAOYSA-N 307.371 2.646 0 50 DFAA CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 345710 ODMWLHJPRGHTAQ-MRXNPFEDSA-N 313.353 2.511 0 50 DFAA O=C(NCc1cccnc1)C(O)(c1ccccc1)c1ccccc1 348937 IAZVPQYXJNNEOA-UHFFFAOYSA-N 318.376 2.634 0 50 DFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C 1075453 KAAJFTZFFVCGED-UHFFFAOYSA-N 314.794 2.789 0 50 DFAA Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)c(O)c1 1180530 QKTQRISOMBITSW-UHFFFAOYSA-N 304.346 2.967 0 50 DFAA CCN1C(=O)N[C@H](c2cc(C)ccc2C)C(C(=O)OC)=C1C 2868759 DGXINHBPBXOCJR-OAHLLOKOSA-N 302.374 2.837 0 50 DFAA COc1cc(/C=C/C(=O)NCc2ccco2)cc(OC)c1OC 2992076 FZPWIWOBXGMXRO-VOTSOKGWSA-N 317.341 2.635 0 50 DFAA COc1ccc(C=O)cc1CSc1ncccc1C(=O)O 4731371 BFVCQFSXFVYHBP-UHFFFAOYSA-N 303.339 2.893 0 50 DFAA COCCN(CCOC)Cc1c(C)nc2ccc(C)cc2c1O 8660881 KBZGKBLMMRVHFZ-UHFFFAOYSA-N 318.417 2.652 0 50 DFAA biogenic CC[C@H](Nc1cc(N2CCOCC2)ncn1)c1cccs1 225480731 CURIJOKVWAUYFQ-LBPRGKRZSA-N 304.419 2.938 0 50 DFAA CCCCCn1nc(C)cc1NC(=O)[C@H]1CC(=O)N[C@@H](CC)C1 346057841 KDMNRSCSLYBDHZ-KGLIPLIRSA-N 320.437 2.625 0 50 DFAA CC(C)c1nccn1[C@H](C)c1nc(CC2CCN(C)CC2)no1 67641477 BIIVDXUNUVPPJV-CYBMUJFWSA-N 317.437 2.883 0 50 DFAA O=C(CCn1cncn1)Nc1ccc(-c2ccco2)cc1F 347719775 BMKZOOWQMVFTNV-UHFFFAOYSA-N 300.293 2.706 0 50 DFAA Cc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc(F)c2)c1 20292872 NVDAMIQVXGHFLF-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA CC(C)n1cc(NC(=O)CCc2ccc3c(c2)OCO3)cn1 66389064 LGQFAAICYBQJFW-UHFFFAOYSA-N 301.346 2.764 0 50 DFAA c1ccc(COc2cncc(N3CCCN4CCC[C@H]4C3)n2)cc1 252510580 AKDAOZKJJFYBEC-KRWDZBQOSA-N 324.428 2.730 0 50 DFAA O=C1CCC2(CCN(C[C@@H]3CCCCO3)CC2)CN1C1CCC1 219574990 GHQGXBBLIQQVDX-KRWDZBQOSA-N 320.477 2.813 0 50 DFAA C[C@H]1CCN(Cc2ncnn2-c2ccccc2)C[C@H]1n1ccnc1 253396986 SPGRBYHMIVNJFD-DOTOQJQBSA-N 322.416 2.547 0 50 DFAA O=C(O)CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 414606753 FJHKBSSNJUIWFO-OAHLLOKOSA-N 304.390 2.658 0 50 DFAA Cc1csc(CCNc2cc(-c3nc(C)no3)ccn2)n1 77188786 QYLLAYWGFXTEBZ-UHFFFAOYSA-N 301.375 2.860 0 50 DFAA O=C([C@H]1CCCCC(O)=N1)N1CCC[C@H](c2ccncc2)C1 328597231 GBAREJTYNYSSRZ-LSDHHAIUSA-N 301.390 2.687 0 50 DFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1csc(C(C)=O)c1 215409832 PZQAAJCGOCHNJD-AWEZNQCLSA-N 318.398 2.805 0 50 DFAA C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCN(C2CC2)C1 452173584 NKQFTBJLWBBORX-AWEZNQCLSA-N 316.420 2.800 0 50 DFAA O=C(Cc1ccco1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 370645802 ZIIJKWKFYOYANI-GOSISDBHSA-N 317.360 2.933 0 50 DFAA CO[C@@H]1CCCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 77712032 JMHNCNBBWLCDPN-CQSZACIVSA-N 300.362 2.719 0 50 DFAA Cc1cnc(CNC(=O)c2ccc(-c3ccccc3)n2C)cn1 216162008 BWTGDUACYCXARE-UHFFFAOYSA-N 306.369 2.721 0 50 DFAA CC(C)CCO[C@H]1CCN(C(=O)c2ccc(C(=O)O)cc2)C1 236763965 SUIDXDUKBVKDQR-HNNXBMFYSA-N 305.374 2.662 0 50 DFAA CC1(C)CN(C(=O)N[C@H]2CC23CCOCC3)[C@H]1c1ccncc1 333162948 HRJKWFNHXQZGRI-GJZGRUSLSA-N 315.417 2.743 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 136268501 PMNXEXMMLCDUGS-NZBPQXDJSA-N 301.342 2.575 0 50 DFAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(CN)o1 237542734 HMEBTEKRXIBCSL-WCQYABFASA-N 302.349 2.896 0 50 DFAA O=C(O)C1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 238023445 UULUHIFUUTURQI-OAHLLOKOSA-N 301.386 2.820 0 50 DFAA Cc1nc(CNC(=O)N2CCCC3(CCOCC3)C2)cs1 426584721 OZDMJQFBZRCLNV-UHFFFAOYSA-N 309.435 2.554 0 50 DFAA Cc1cc2nc(CCC(=O)NC[C@H]3CCCOC3)[nH]c2cc1C 426477697 HGOXIXSEWHGWAN-CQSZACIVSA-N 315.417 2.655 0 50 DFAA CC[C@H](NCc1noc(CCOC)n1)c1ccc(F)cc1F 289646741 XCDFJQYGLLHEAK-ZDUSSCGKSA-N 311.332 2.778 0 50 DFAA CCc1ccc(CN2CCC[C@@H](N3CCC(CO)CC3)C2)o1 20453624 VCGHVORVALSHJV-MRXNPFEDSA-N 306.450 2.511 0 50 DFAA CC(=O)N1CCC(Nc2c(C)c(-c3ccccc3)nn2C)CC1 20706335 VLEBPVVTGXIGML-UHFFFAOYSA-N 312.417 2.818 0 50 DFAA C[C@@H]1CCc2nc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)sc2C1 239039008 FHKAZKJJCLNVBW-OUAUKWLOSA-N 320.414 2.873 0 50 DFAA COCCc1noc([C@H](C)Nc2nc(C)nc3ccsc23)n1 91793943 XUKSMWJDNVBQSQ-QMMMGPOBSA-N 319.390 2.745 0 50 DFAA CN(C)[C@@H](C(=O)N1CCC(F)(F)CC1)c1cccc(F)c1 91713064 AJSKMNZBWCRPNN-CYBMUJFWSA-N 300.324 2.686 0 50 DFAA O=C(NCCNc1nnc(C2CCC2)o1)c1ccccc1Cl 95372088 OXFSFJRHVNSBPC-UHFFFAOYSA-N 320.780 2.832 0 50 DFAA CC[C@H](NC(=O)CCC(=O)N1CCCCCC1)c1nccs1 244633656 GGZCAGTYVXDHDM-ZDUSSCGKSA-N 323.462 2.893 0 50 DFAA CCc1nnc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)s1 299740203 WYZQUMJMLFQCAV-GFCCVEGCSA-N 317.462 2.623 0 50 DFAA CC[C@@H](NC(=O)CCc1csc(N)n1)c1nc(C)c(C)s1 299775682 MOHJJUYROXHFKZ-LLVKDONJSA-N 324.475 2.999 0 50 DFAA CC(C)n1cc(NC(=O)NCCCn2cc(Cl)cn2)cn1 299794254 IQFCUYTXEPRMCT-UHFFFAOYSA-N 310.789 2.526 0 50 DFAA OCc1cccc(CN[C@H]2CCN(c3ccc(F)cc3)C2)c1 828827556 BBWBHDVDFATJOE-KRWDZBQOSA-N 300.377 2.687 0 50 DFAA CC(C)C[C@H](O)C(=O)NC1(CN2CCCCC2)CCCCC1 820961691 XVVBYDLDKGILBL-INIZCTEOSA-N 310.482 2.698 0 50 DFAA C[C@H](CCn1cccn1)NCc1cnn(-c2ccc(F)cc2)c1 584892232 NXYMEZIUJIVZFU-CQSZACIVSA-N 313.380 2.776 0 50 DFAA CCO[C@@H](CC)CNC(=O)N1CC(Oc2cccc(C)c2)C1 584902723 BSDIRHISLFECRD-AWEZNQCLSA-N 306.406 2.583 0 50 DFAA Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(=O)O)C1 165632543 ZHAXOAGBBTYZGL-GFCCVEGCSA-N 314.341 2.587 0 50 DFAA CCOCC[C@H](O)Cn1nnc2cc(Cl)c(Cl)cc21 277566651 SIOLDHOYWNNTBN-QMMMGPOBSA-N 304.177 2.526 0 50 DFAA CC(C)CCN(C)C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 170623325 RGJLHKNWSPXFPL-HWOWSKLDSA-N 308.466 2.918 0 50 DFAA O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCC[C@H](CO)C1 187443265 ZIDRCYQDVPDJLM-OKZBNKHCSA-N 316.445 2.812 0 50 DFAA C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cn(C(C)(C)C)nn1 189369069 BEHDNQLSYYXNCQ-NSHDSACASA-N 302.378 2.572 0 50 DFAA Cn1cc(Oc2ccccc2C(=O)Nc2cccnc2O)cn1 669904333 QJOFQEJKAUUYII-UHFFFAOYSA-N 310.313 2.565 0 50 DFAA COC[C@@H](C)CC(=O)N1CCC(c2ccccc2C(=O)O)CC1 682188343 VYBMNRYPALMUHE-ZDUSSCGKSA-N 319.401 2.763 0 50 DFAA COc1ccc([C@@H](NC(=O)c2cc(C)c(C)o2)C(=O)O)cc1F 653667650 LKZCCSKFBZHTGX-CQSZACIVSA-N 321.304 2.600 0 50 DFAA CCCn1nc(C)c(NC(=O)[C@@H](C)CN2CCCCC2)c1C 1506425015 BHNSYTOJZBRQCO-ZDUSSCGKSA-N 306.454 2.970 0 50 DFAA CC(C)N(Cc1cnn(C)c1)C(=O)NCc1cccc(F)c1 1506400061 HLESFEALJJMGJC-UHFFFAOYSA-N 304.369 2.679 0 50 DFAA CCCCNC(=O)c1nnn(-c2ccc(OCCC)cc2)c1C 12274036 LPJKDXSENQUHQO-UHFFFAOYSA-N 316.405 2.894 0 50 DFAA Nc1c(C(=O)c2c[nH]c3ccccc23)nnn1-c1ccccc1 19811663 LOWSYXHPWLDXBN-UHFFFAOYSA-N 303.325 2.562 0 50 DFAA OC[C@@H]1C[C@H]2[C@@H](C1)OCCN2Cc1cccc(C(F)(F)F)c1 1857717099 JLZXOGVOPLYTSF-VHDGCEQUSA-N 315.335 2.677 0 50 DFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(C(N)=O)c2)C1 113213662 NZWCIUMYENZYOA-FQEVSTJZSA-N 322.408 2.979 0 50 DFAA CN1CC[C@@H](CN[C@@H](C(=N)O)c2ccccc2)[C@@H]1c1cccnc1 328628627 HKFXGOXFMKTSBF-KSZLIROESA-N 324.428 2.941 0 50 DFAA CC[C@H](C)N(CC(=O)O)C(=O)c1cc(C)c2ccccc2n1 129481942 PUXNJCSMTLBGBV-LBPRGKRZSA-N 300.358 2.869 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(F)cc1 239046626 FUUAOXCZTSOACV-PKCACUDHSA-N 301.317 2.533 0 50 DFAA CCCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C2CC2)cc1 241317043 LXHJEAWYNYEZJI-QGZVFWFLSA-N 314.429 2.971 0 50 DFAA COc1cccc2c(N3CCC[C@@H](CC(N)=O)C3)c(C)cnc12 241684897 QGDRJQVMVJKYET-ZDUSSCGKSA-N 313.401 2.644 0 50 DFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 246144717 GYWQBMNRRSYCKK-SOHPYSCWSA-N 318.442 2.978 0 50 DFAA CC(C)Oc1cccc([C@H](C)NC(=O)N2C[C@@H](F)C[C@@H]2CO)c1 346221077 WUENLAWJUSXYKZ-AEGPPILISA-N 324.396 2.649 0 50 DFAA O=C(NCc1cccc(C(=O)O)c1)NC[C@@H]1CCc2ccccc21 666527414 DZPSOKNYOUNGJP-INIZCTEOSA-N 324.380 2.914 0 50 DFAA C[C@@H](NC(=O)Cc1ccc(Cl)cn1)[C@@H]1C[C@H](C(=O)O)C1(C)C 848452421 RUBJFJYIVVJDIR-JIMOISOXSA-N 324.808 2.529 0 50 DFAA Cc1cccc(N2CCC(Nc3nccc4ncncc34)CC2)n1 1875286860 JYYSSBMCVNOUMQ-UHFFFAOYSA-N 320.400 2.809 0 50 DFAA O=S(=O)(c1csc(-c2ccc(F)cc2)n1)N1CC=CCC1 1875257873 GVCFKRUSONYLQA-UHFFFAOYSA-N 324.402 2.900 0 50 DFAA CON1CCC(CC(=O)NCc2sccc2Cl)CC1 1875274777 ZPAVILRYLBHERJ-UHFFFAOYSA-N 302.827 2.681 0 50 DFAA Cc1ccc(NC(=O)N2CCC(=O)CC2)cc1Br 253415716 MEELVKRKQCNFRE-UHFFFAOYSA-N 311.179 2.954 0 50 DFAA Cc1cccc(OCCn2c(CNC=O)nc3ccccc32)c1C 4809922 VJFQDPDMKGJSGB-UHFFFAOYSA-N 323.396 2.978 0 50 DFAA Cc1ccc(C(=O)O)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 5094756 DRZSTBQWYYZQMP-NWDGAFQWSA-N 305.330 2.523 0 50 DFAA N[C@H]1CCCN(Cc2ccc(-c3cccc4c3CCC4)nn2)C1 2325796668 CAQSMMFMNDIULQ-HNNXBMFYSA-N 308.429 2.555 0 50 DFAA Cc1cc(CC(=O)NC2(c3ccccc3F)CC(C)C2)n[nH]1 2325801091 VOAVORSXYWEGAY-UHFFFAOYSA-N 301.365 2.841 0 50 DFAA Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)c1 77475 RBOYDXOFXOKCOU-UHFFFAOYSA-N 322.364 2.928 0 50 DFAA COc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1 355560 WPVDGZHBRDIEAL-UHFFFAOYSA-N 300.358 2.559 0 50 DFAA O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 482214 JBIQDLDEDPBPMM-QGZVFWFLSA-N 324.380 2.848 0 50 DFAA Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1 613664 BWMGRPWAMUZSGE-UHFFFAOYSA-N 319.382 2.813 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(c3nc(C)nc4ncccc34)C[C@H]21 2356133923 MSTSBTNMYLJHHV-JOQOYGCGSA-N 312.417 2.711 0 50 DFAA CCC[C@@]1(CO)CN(Cc2ccc(C)c(F)c2F)CC[C@H]1O 2356148215 MDQPZCBRGQRFFS-PBHICJAKSA-N 313.388 2.619 0 50 DFAA CC(C)N1CCC2(CCc3c(O)nc(-c4cccnc4)nc32)CC1 2356151498 KWKVDIIKBDWJIK-UHFFFAOYSA-N 324.428 2.932 0 50 DFAA C[C@H](c1ccc2c(c1)OCCO2)N(C)Cc1ccn2ncnc2c1 2356155822 OADAREOLZGNDRC-CYBMUJFWSA-N 324.384 2.694 0 50 DFAA CCOC(=O)c1nc2ccc(Cl)cn2c1Br 4002758 PEINUXVIHDZXNP-UHFFFAOYSA-N 303.543 2.927 0 50 DFAA COc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)cc1 4332901 NFBGENBBQRJKKG-UHFFFAOYSA-N 309.362 2.621 0 50 DFAA O=c1c(-c2nncn2-c2ccccc2)coc2cc(O)ccc12 6534221 CEKWPUCPGQSQGH-UHFFFAOYSA-N 305.293 2.746 0 50 DFAA biogenic CCc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 6697575 WZPYPTDGHNSHOI-STQMWFEESA-N 311.447 2.924 0 50 DFAA Cc1ccc(C(=O)Nc2ccccc2F)cc1NS(C)(=O)=O 10315173 HGZBRNFWOCEGAZ-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA CCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C(C)C 9061899 GKWWYLNHMUVTBG-UHFFFAOYSA-N 308.403 2.951 0 50 DFAA CC(C)n1cc2cc(NC(=O)NC[C@@H]3CC[C@H](O)C3)ccc2n1 225595610 JCHBXOWTQAISAY-DOMZBBRYSA-N 316.405 2.900 0 50 DFAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ncc(C3CC3)o2)C1 225651231 CFQHALFYBRXUQO-CABCVRRESA-N 302.349 2.999 0 50 DFAA COCCN(Cc1cccs1)C(=O)c1ncc(F)cc1F 55212016 RKXWIXSTMDYBKW-UHFFFAOYSA-N 312.341 2.710 0 50 DFAA C[C@H](CC1=CCN(C)CC1)NC(=O)CSc1ccccc1 67642008 OGZLAWFPMWOJPF-CQSZACIVSA-N 304.459 2.935 0 50 DFAA C[C@H](NC(=O)c1cccc(F)c1)C(=O)Nc1ccccc1F 20292804 JDVVAHXJUKOODZ-JTQLQIEISA-N 304.296 2.722 0 50 DFAA CCCn1nc(C)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1O 65504418 VFEUMMOEADPONE-GFCCVEGCSA-N 303.337 2.920 0 50 DFAA Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccccn1 22237489 KWMMDIZKGRVPOW-UHFFFAOYSA-N 310.382 2.839 0 50 DFAA CSc1ccc(-c2nc(CN3CC[C@H](N)C3)c(C)o2)cc1 67713960 OXRIKAUUTYAPJM-ZDUSSCGKSA-N 303.431 2.905 0 50 DFAA c1ccc(Cc2cn(C3CCN(c4cnccn4)CC3)nn2)cc1 20637193 VBIKMGDIFOZKBK-UHFFFAOYSA-N 320.400 2.500 0 50 DFAA COc1ccccc1-n1nc(C2CC2)nc1-c1ccc(=O)[nH]c1 67851710 ZSGURNZYFAIBTG-UHFFFAOYSA-N 308.341 2.509 0 50 DFAA O=C(c1ccoc1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77353251 MILJJFNQOUDAHD-CYBMUJFWSA-N 310.313 2.702 0 50 DFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C)cn1 328646900 SWBZZODXWXSUKP-HOTGVXAUSA-N 300.406 2.616 0 50 DFAA O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc2ccccc2o1 121593640 DZYNJXSJKQYRRD-UHFFFAOYSA-N 305.297 2.865 0 50 DFAA CCc1cc(C(=O)N2CCN(Cc3ccccc3C)CC2)ccn1 77518710 ZTCVXDFWMFEADQ-UHFFFAOYSA-N 323.440 2.910 0 50 DFAA CCCCO[C@@H]1C[C@H](NCC(=O)N2CCCCCC2)C1(C)C 253431927 YNWQUIGVDQTAPG-JKSUJKDBSA-N 310.482 2.962 0 50 DFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@H](O)c2ccccc2)cc1 281158600 VRFLAIOXOXZAHF-RCCFBDPRSA-N 311.381 2.791 0 50 DFAA Cc1cc(C(=O)NCC2(O)CCCCCC2)nn1[C@H](C)C1CC1 329380757 PYUWNBZVEPVMNX-CQSZACIVSA-N 319.449 2.978 0 50 DFAA Fc1ccccc1-c1n[nH]cc1CN[C@H]1CCc2[nH]ncc2C1 152221556 UBDLQGUFDBZBFO-ZDUSSCGKSA-N 311.364 2.586 0 50 DFAA CCCCNC(=O)c1cc(NC[C@H]2CCCCN2C)ccn1 72153740 DQZSUFGYTXIQOQ-OAHLLOKOSA-N 304.438 2.508 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C)c1 126272430 NVNHBMXHUGWWTC-LSDHHAIUSA-N 322.474 2.515 0 50 DFAA Cc1oc(CNC(=O)[C@@H]2CSc3ccccc32)cc1C(=O)O 261833294 BLVXITHXOCRMRK-CYBMUJFWSA-N 317.366 2.792 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC=CCC1 333689404 CIVWXFXWDSWPCK-CKEIUWERSA-N 303.406 2.596 0 50 DFAA O=C(Nc1cccc(Cl)c1)c1nnc([C@H]2CCCNC2)s1 47218815 OSXGCFKSXGETJR-VIFPVBQESA-N 322.821 2.911 0 50 DFAA CCn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1 17054850 WMYNMMQIPPMUMT-UHFFFAOYSA-N 319.308 2.723 0 50 DFAA Cc1noc(C)c1CCCNC(=O)[C@@H]1COc2ccccc2C1 84803591 CSPLRYKTWCITPE-HNNXBMFYSA-N 314.385 2.592 0 50 DFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(Cl)c(Cl)c1 288264287 YTGJUVRWPJASRR-QMMMGPOBSA-N 301.173 2.991 0 50 DFAA O=C(Cc1noc2ccccc12)N1CCO[C@H](c2ccco2)C1 176727111 PFENXMUKRZLGRE-INIZCTEOSA-N 312.325 2.563 0 50 DFAA CCC[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1NC(C)=O 82121808 DNQRXAXVDBMTQL-QZTJIDSGSA-N 314.429 2.552 0 50 DFAA CC(C)c1nc(CCN(C)C(=O)NCC2CCCCC2)no1 426407717 WYVHLGJHIKOPNV-UHFFFAOYSA-N 308.426 2.957 0 50 DFAA COc1cc(I)nc(C(F)(F)F)c1 238365352 PONNEMYFJBMJPH-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA CCCOc1cccc([C@@H](C(=O)O)N(C)Cc2ncc(C)[nH]2)c1 95379531 CAQCBZOSJAWLET-INIZCTEOSA-N 317.389 2.765 0 50 DFAA COc1ccccc1C1CCN(Cc2nc3ncccn3n2)CC1 244764153 PCGVYSPARVBHJQ-UHFFFAOYSA-N 323.400 2.513 0 50 DFAA Cc1cc(F)ccc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244795757 RMZRHLRUSKGILD-HACGYAERSA-N 314.360 2.771 0 50 DFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1[C@H]2CCC[C@H]21 299746125 VLNXRQMCGAQADE-JYAVWHMHSA-N 323.339 2.814 0 50 DFAA COc1cc(C(=O)NC2(c3ccccc3)CCOCC2)ccn1 534669281 GAYFQBMVXVHIAD-UHFFFAOYSA-N 312.369 2.526 0 50 DFAA CCn1c(-c2cccc(OC)c2F)nc2cc(C(=O)O)cnc21 534670953 VETAZMOPLJGFEZ-UHFFFAOYSA-N 315.304 2.964 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)c1ccccc1OCC 534667770 SFLCYHLDHDZVHT-GFCCVEGCSA-N 302.378 2.578 0 50 DFAA O=C1C[C@@H](CN2CC(c3ccncc3)C2)CN1c1ccccc1 299781446 FKDZAKREZWXPTK-HNNXBMFYSA-N 307.397 2.534 0 50 DFAA O=C(c1cccc2c1NCCC2)N1CCC[C@@H](c2ccncn2)C1 584897981 JWVJLMYYSXPZGU-OAHLLOKOSA-N 322.412 2.855 0 50 DFAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)c1cccs1 952980361 XAFOEQYFYUJMCO-ZDUSSCGKSA-N 301.415 2.790 0 50 DFAA Cc1ccccc1[C@@H](NC(=O)CCc1cn[nH]c1)c1ccncc1 952873130 VOJFBUGIYZNOEN-IBGZPJMESA-N 320.396 2.952 0 50 DFAA CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(-n3cccc3)c1)C2 1565528385 UDYYABSTUREETR-YJBOKZPZSA-N 309.413 2.644 0 50 DFAA O=C(O)[C@@H]1CC12CCN(Cc1ccccc1OC(F)F)CC2 405486903 MGUMNVIFPWICFP-LBPRGKRZSA-N 311.328 2.975 0 50 DFAA COC[C@H]1CN(c2ncnc3ccc(C(C)C)cc23)CCO1 408518454 JABYXOCZSSUBCS-CQSZACIVSA-N 301.390 2.605 0 50 DFAA O=C(NC[C@@H]1CCCN1CC(F)F)c1coc2ccccc12 628622346 JIOBIISWYYZNGB-NSHDSACASA-N 308.328 2.892 0 50 DFAA C[C@H]1C[C@@H]1c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)o1 275510906 KHEDGKNZKJJQKT-PCBIJLKTSA-N 301.390 2.756 0 50 DFAA CC(C)(C)OC(=O)CCC(=O)NCc1nccc2ccccc12 192390709 DGLJBYRHAGKPOR-UHFFFAOYSA-N 314.385 2.973 0 50 DFAA C[C@H]1CN(CC[C@@H](C)c2ccccc2)CCN1CC(C)(C)O 194819800 BQORAQGVSHAFDX-SJORKVTESA-N 304.478 2.957 0 50 DFAA CC[C@H](N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 195542290 JYFJCIBOIWCPJN-ZDUSSCGKSA-N 300.324 2.934 0 50 DFAA CCCc1nsc(N[C@@H]2CCc3ccccc3NC2=O)n1 656208471 RLWZMAWSZVGRHG-GFCCVEGCSA-N 302.403 2.856 0 50 DFAA Cc1cc(C(=O)N(CCC(=O)O)Cc2cccnc2)sc1C 769668905 WVTUIJFGJHSVGD-UHFFFAOYSA-N 318.398 2.877 0 50 DFAA CCc1cccc(CN[C@H]2CCOC3(CC(C(=O)O)C3)C2)c1 1615003627 YVEIOVIZHIQINY-PQUAAJSLSA-N 303.402 2.751 0 50 DFAA Cn1ccnc1CCN1CCC[C@@H](COc2ccccc2F)C1 1506422379 OJCXFPHUDKSAJQ-OAHLLOKOSA-N 317.408 2.893 0 50 DFAA Cc1[nH]nc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)c1Cl 1506394985 AAKVWBHSZJLWAZ-NSHDSACASA-N 311.813 2.839 0 50 DFAA Cc1ccc(OCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1C 1529168799 LZZAOGWYICFKSR-WNKDZCFJSA-N 317.429 2.690 0 50 DFAA CCOc1cc(S(=O)(=O)Nc2ccccn2)c(C)cc1C 12560785 XCLVOKQMPBAQFI-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA C[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H](C)O1 12633769 QJKBJYWZGXGERT-PHIMTYICSA-N 316.323 2.753 0 50 DFAA COc1ccccc1CC(=O)N1CCN(Cc2ccccc2)CC1 19770557 PCSMTBJWHQNAMS-UHFFFAOYSA-N 324.424 2.582 0 50 DFAA CCCc1c(O)nc(SCCN(CCC)CCC)[nH]c1=O 19788116 YZPDKTLBNSCOME-UHFFFAOYSA-N 313.467 2.642 0 50 DFAA Cc1nc(NC(=O)C2=NNC(=O)CC2)cc(-c2ccccc2)c1C 1857715411 QKNNTZYPRRXYLP-UHFFFAOYSA-N 322.368 2.570 0 50 DFAA O=C(Nc1ccc(F)c(F)c1F)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222449262 LMJMKTJBFNFKMO-AGNRWKBWSA-N 311.259 2.565 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 237490445 WZLOWBGYOVTRPU-MFKMUULPSA-N 318.808 2.682 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C1 237645690 MDLPDIPJQJKTKJ-MRXNPFEDSA-N 320.776 2.687 0 50 DFAA CN(Cc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)C1CC1 240471623 GDHMNIJQQUMOQN-SFHVURJKSA-N 322.408 2.913 0 50 DFAA Cc1nc2cccc(C(=O)N3CCC[C@H](n4ccnc4)C3)c2[nH]1 670065019 MMJTXYPGPHUSEM-ZDUSSCGKSA-N 309.373 2.545 0 50 DFAA CC1CCC(O)(CN2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 375437715 MNRYFSGFFFVESB-KDJCLPLCSA-N 305.422 2.678 0 50 DFAA CCC(CC)CN(CC)C(=O)c1cc(N2CCCC2)ncn1 585135592 RSVNKAQSQWNFFT-UHFFFAOYSA-N 304.438 2.975 0 50 DFAA Cc1csc(CC2(O)CCN(C(=O)OC3CCCC3)CC2)n1 585138186 TWLNQPVJGWVQGJ-UHFFFAOYSA-N 324.446 2.900 0 50 DFAA CCOC(=O)NCC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 496586701 UNWUAWPGZMKZIG-OAHLLOKOSA-N 316.401 2.529 0 50 DFAA Cc1ccccc1[C@H](NS(=O)(=O)CC1CCOCC1)C1CC1 266111349 BTXXNGHNRSBMNJ-QGZVFWFLSA-N 323.458 2.792 0 50 DFAA O=C(c1nncc2ccccc12)N1CCOC2(CCCCC2)C1 933586859 PIYOPTGSHGZSJI-UHFFFAOYSA-N 311.385 2.805 0 50 DFAA CCOC(=O)c1oc(N(C)C[C@H](C)c2nccs2)nc1C 952993715 JDLDPQSYVXTNEI-VIFPVBQESA-N 309.391 2.856 0 50 DFAA CCOc1ccnc(Nc2ccc(N(C)C(=O)OC)cc2)n1 1875275466 YDQRHAUEIQDVFJ-UHFFFAOYSA-N 302.334 2.822 0 50 DFAA C[C@H]1NCCC[C@H]1C(=O)Nc1ccc(Oc2ncccn2)cc1 888102585 FYLLMLLZYTWHBX-IUODEOHRSA-N 312.373 2.596 0 50 DFAA CN1CCO[C@@H](c2cccc(-c3ccc4c(c3)NC(=O)NC4)c2)C1 1776005194 DBFIKHBITDZEQN-GOSISDBHSA-N 323.396 2.992 0 50 DFAA C[C@H](NC(=O)c1cc2c(F)ccc(F)c2[nH]1)C1CCN(C)CC1 2325732643 GDFFNUVDDSIIAV-JTQLQIEISA-N 321.371 2.906 0 50 DFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cc2ccccc2o1 2325785749 LZXUVORRZGICFN-IAOVAPTHSA-N 311.385 2.559 0 50 DFAA Cn1ccc(N2CCN=C2NCc2ccc3ccccc3c2)n1 2325863972 BKPPWTXRCJCRQB-UHFFFAOYSA-N 305.385 2.539 0 50 DFAA COc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1O 427713 ZLAAZFNSTGDKNP-SNVBAGLBSA-N 313.309 2.604 0 50 DFAA COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O 519621 SCZVLDHREVKTSH-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA endogenous,in-man NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 2169538 OZDWAHBMLHXZTI-UHFFFAOYSA-N 312.822 2.510 0 50 DFAA in-vitro O=C1OCCN1c1ccc(OCc2ccc3c(n2)NCC3)cc1 2356152909 HHPLYQRWWHSEDQ-UHFFFAOYSA-N 311.341 2.585 0 50 DFAA CCCCC(=O)N(c1ccc(OC)cc1)[C@@H]1C=CS(=O)(=O)C1 4110824 WMMPSJHADGEZNE-CQSZACIVSA-N 323.414 2.529 0 50 DFAA Cc1c(Cl)c(C(=O)NC2C3CC4CC(C3)CC2C4)nn1C 375891 NCDCAWFRXZOHQC-UHFFFAOYSA-N 307.825 2.936 0 50 DFAA CCOc1ccc([C@@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 6726197 KPDZFXWEOZZXJN-CYBMUJFWSA-N 318.417 2.521 0 50 DFAA CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)s1 248732335 DHYFCMRYXCYKIF-RAIGVLPGSA-N 324.446 2.846 0 50 DFAA CCCOc1ccc(NC(=O)CN2CCCC2=O)cc1Cl 55770385 UMUGYGGQJDPFMQ-UHFFFAOYSA-N 310.781 2.690 0 50 DFAA CNc1ccnc(N(C)Cc2cc(-c3cccs3)[nH]n2)n1 67673323 KJHYRXJVZCCSLU-UHFFFAOYSA-N 300.391 2.606 0 50 DFAA Cc1ccc2c(c1)CCCN2C(=O)CN(C)[C@@H](C)c1ccon1 65382195 YIQQJQFGLOJZEL-AWEZNQCLSA-N 313.401 2.955 0 50 DFAA Cc1cnc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)o1 328607791 XDTVHEUJNOEWFF-ZDUSSCGKSA-N 318.446 2.584 0 50 DFAA CCCN1CCn2nc(-c3nc4ccc(OC)cc4[nH]3)cc2C1 67513892 RCSJWAUFSMPCPD-UHFFFAOYSA-N 311.389 2.661 0 50 DFAA CCCCCC[C@H](O)CN1CCN(c2nc(C)cc(C)n2)CC1 252494058 NKAGECJVBGGNCP-KRWDZBQOSA-N 320.481 2.547 0 50 DFAA CCOc1nc(C)ccc1C(=O)Nc1ccc(NC(C)=O)cc1 252501757 UJLFPUMZHYVUDY-UHFFFAOYSA-N 313.357 2.999 0 50 DFAA C[C@H](C(=O)COc1ccc(Cl)cc1Cl)C(=O)N(C)C 464923 ZEWIJICOCIKRLZ-MRVPVSSYSA-N 304.173 2.666 0 50 DFAA CC(C)n1cncc1CN[C@@H]1CCN(c2ncccc2Cl)C1 424138232 BZXXYQCJYGPCSE-CYBMUJFWSA-N 319.840 2.881 0 50 DFAA CCOC(=O)C(=CNc1ccc(Cl)cc1F)C(=O)OCC 3118798 STYQBWBVABOAMX-UHFFFAOYSA-N 315.728 2.901 0 50 DFAA CC(C)(C)c1ncc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cn1 171315824 HOPGHOXPMMKNDW-GFCCVEGCSA-N 318.421 2.807 0 50 DFAA Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccn(C)c(=O)c2)C1 121723526 JZFJDAOQQZCASQ-ZBFHGGJFSA-N 310.397 2.712 0 50 DFAA CC(=O)N[C@@H]1Cc2ccccc2N(Cc2ncc(C3CC3)o2)C1 362067207 PJMCJCYXTNCDIB-OAHLLOKOSA-N 311.385 2.619 0 50 DFAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)C(=O)c1ccco1 216262238 PWDJPZPZVXMJNP-INIZCTEOSA-N 324.311 2.902 0 50 DFAA COc1ccc(Cn2cc(-c3ccc(C(=O)O)cn3)cn2)cc1 215442927 VULROSVJWLRRAS-UHFFFAOYSA-N 309.325 2.700 0 50 DFAA CCc1ncsc1NC(=O)[C@H]1CCCN1Cc1ccccn1 372162973 BWRTZUVFHWTHAT-CQSZACIVSA-N 316.430 2.704 0 50 DFAA CC1(c2ccccc2)CCN(C(=O)N[C@H]2CC[C@@H](CN)C2)CC1 332133443 KMZDEHDPNZLSOT-WBVHZDCISA-N 315.461 2.877 0 50 DFAA CC(C)c1nc(CN(Cc2cocn2)Cc2cocn2)co1 215727790 GSKBYDYSFBPTKS-UHFFFAOYSA-N 302.334 2.976 0 50 DFAA Cc1cc(C)c(-n2cccn2)c(CN2CCN3CCC[C@@H]3C2)c1 216526979 RDPUJGYHFOPFNW-GOSISDBHSA-N 310.445 2.769 0 50 DFAA CC(C)C[C@H](O)C1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1 77322998 JMKQOCFWUDPYOA-KRWDZBQOSA-N 323.408 2.719 0 50 DFAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1cc(C(C)C)on1 263037776 DIBUNOTZFWQZTO-UHFFFAOYSA-N 318.329 2.822 0 50 DFAA COc1cccc(/C(C)=C/C(=O)N2CCC[C@@H]([C@H](C)N)C2)c1 237351512 BTHGNVVGGPTDRR-AWIOHZCQSA-N 302.418 2.684 0 50 DFAA C[C@H]1CN(c2ccccc2CNC[C@@H]2CCCOC2)C[C@@H](C)O1 237654116 RWLUQEALPWRNBO-BBWFWOEESA-N 318.461 2.816 0 50 DFAA CCCCCCN1CC2(CCN(Cc3ncc[nH]3)CC2)OC1=O 72428836 NZPUXKVXDGIVSB-UHFFFAOYSA-N 320.437 2.777 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)NO[C@H]1CCCCO1)[C@H](C)C2 241923313 UEXXXRCMJCUKRE-UHOFOFEASA-N 304.390 2.986 0 50 DFAA O=C(NCCCNc1cccnc1)c1ccc(N2CCCC2)cc1 223246659 MVZZOSCTRDCFCU-UHFFFAOYSA-N 324.428 2.914 0 50 DFAA CCc1ncc(CNC(=O)c2ccnc(O[C@@H](C)CC)c2)o1 456498766 YKNNCOQPQPZQSN-NSHDSACASA-N 303.362 2.739 0 50 DFAA COCc1cc(=O)[nH]c(Nc2ccc(Cl)c(Cl)c2)n1 41596361 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216245070 JCXYJYMCIGSATI-UHFFFAOYSA-N 311.389 2.904 0 50 DFAA Cc1ccc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)nc1C 333697992 QKMSPNMEZJSGJL-DZGCQCFKSA-N 314.389 2.674 0 50 DFAA C[C@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)Cc1cccc(F)c1 128508789 HWJKETLJJJBXIY-GXTWGEPZSA-N 307.365 2.718 0 50 DFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 77504660 RJQXDNXQXMXFJQ-CYBMUJFWSA-N 318.377 2.704 0 50 DFAA O=C(O)CCN(C(=O)[C@H]1C[C@H]1C1CCCCC1)C1CCOCC1 377143872 XRXMTBYIJNXMIG-HOTGVXAUSA-N 323.433 2.685 0 50 DFAA O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1 238097390 IRONBASHNZPDLX-COXVUDFISA-N 310.401 2.732 0 50 DFAA CC[C@@H](C(=O)O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 263563448 DKALRVXGVMWPRH-STQMWFEESA-N 317.307 2.942 0 50 DFAA CCOc1ncc(C(=O)Nc2cc(C3CC3)n(C)n2)cc1Cl 290927838 NETOHPUNUHUTGU-UHFFFAOYSA-N 320.780 2.997 0 50 DFAA CCCc1cc(C(=O)NC[C@@H](C)N(C)c2ccccc2)[nH]n1 46950176 QFTPWALVWPRKBA-CYBMUJFWSA-N 300.406 2.617 0 50 DFAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2ccc(C)o2)cc1 223274326 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CNC(=O)[C@H](Cc1ccccc1)NCCc1ccc(Cl)cc1 1364698767 WNMOYHFOYYITLA-KRWDZBQOSA-N 316.832 2.829 0 50 DFAA Cc1ccc(NC(C)(C)C(=O)NCCCn2cccn2)cc1 952971107 RCUWATVNFGYSDX-UHFFFAOYSA-N 300.406 2.589 0 50 DFAA c1ccc(-c2nsc(N3CC[C@@H](N4CCCC4)C3)n2)cc1 301418056 RLAJKXSKCPTRMF-CQSZACIVSA-N 300.431 2.880 0 50 DFAA Cc1cccc2ncnc(NC[C@@H]3CN(CC(C)C)CCO3)c12 301502659 XYHDOBNOECWLDE-OAHLLOKOSA-N 314.433 2.707 0 50 DFAA Cc1ccsc1C(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 275519367 XXPFKWJBZHMNQE-NSHDSACASA-N 321.402 2.777 0 50 DFAA COc1cc2c(cc1OC)CN(Cc1ccc(F)cn1)CC2 276127277 AIXXQKHOIYBPBG-UHFFFAOYSA-N 302.349 2.796 0 50 DFAA CO[C@@H](CN(c1ccccc1F)S(C)(=O)=O)C1CCCC1 663992851 FOTLLRZOOGNFMP-HNNXBMFYSA-N 315.410 2.797 0 50 DFAA COC(=O)c1cc(Cl)c(Br)cc1N[C@H](C)CO 170088793 DMZNTMFLQNBPEY-ZCFIWIBFSA-N 322.586 2.682 0 50 DFAA O=C(Nc1cccc(CO)n1)[C@H]1C[C@]12CCCc1ccccc12 170088555 UFWFDMRHMMXPMZ-APWZRJJASA-N 308.381 2.807 0 50 DFAA C[C@@H](CS(C)(=O)=O)N(C)C[C@H](C)c1cccc(Cl)c1 170603034 UVYKQYGTRYBVOX-RYUDHWBXSA-N 303.855 2.808 0 50 DFAA O=C1NCCCC[C@H]1NC(=O)N1CCCC2(CCCCCC2)C1 170643393 NBRBDEHWTOSVNJ-OAHLLOKOSA-N 321.465 2.801 0 50 DFAA Fc1cncc(Cn2cc(CN[C@@H]3CCc4ccccc43)nn2)c1 641074225 YTDQBGMRYVJWCG-GOSISDBHSA-N 323.375 2.638 0 50 DFAA O=C(c1ccc2oc(O)nc2c1)N1CCOCC12CCCCC2 654129154 PERIRYDITADLRX-UHFFFAOYSA-N 316.357 2.709 0 50 DFAA COC(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)nc1 598304803 OBWGYBKUIDGDSV-HUUCEWRRSA-N 310.353 2.544 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F 899836444 VHJIXBSJLBQZIF-PVXIVEMSSA-N 323.364 2.711 0 50 DFAA Cc1cc(C(=O)N2CC[C@@](C(=O)O)(c3ccccc3)C2)cc(C)n1 1607571057 WAFHXQMKKOQCEY-IBGZPJMESA-N 324.380 2.567 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(Cl)cc3C)C[C@@H]2O)on1 1529182743 ZAQJKRLNXDHFHM-PBHICJAKSA-N 320.820 2.980 0 50 DFAA O=C1NC(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)N1 476824 LQQADHZDCVFYDU-XYOKQWHBSA-N 321.258 2.676 0 50 DFAA C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 16088989 UEPAAKNHRBGROU-DTORHVGOSA-N 324.229 2.791 0 50 DFAA CC(C)c1cccc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 1772712310 OFJXQKZPXOKNEQ-BBRMVZONSA-N 300.402 2.645 0 50 DFAA Cc1cc2c(cc1Cl)OCc1nnc([C@@H](C)n3cccn3)n1-2 1772706321 PRDWPDSBPMDQCT-SNVBAGLBSA-N 315.764 2.927 0 50 DFAA CC[C@@](C)(CCNc1nnc(CNC)o1)c1ccccc1OC 1772707267 MMHDULWSVNBTIM-KRWDZBQOSA-N 318.421 2.968 0 50 DFAA COc1nc(NC[C@@H]2CCN(c3ccccc3F)C2)ncc1F 1772705974 NUOBVJUQPCLWHH-NSHDSACASA-N 320.343 2.702 0 50 DFAA COc1ccc(-n2nc(C(C)=O)c(C(C)=O)c2C)cc1OC 15084664 QXSYWAYQSGXAEF-UHFFFAOYSA-N 302.330 2.603 0 50 DFAA O=C(O)CCSCC(=O)Nc1ccc(Br)cc1 19423602 DWRBFBLHRWMJEK-UHFFFAOYSA-N 318.192 2.596 0 50 DFAA Cc1ccccc1-c1ncc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)cn1 1857687096 KOPYZAIXAJEMGI-FVQHAEBGSA-N 309.413 2.655 0 50 DFAA CCn1nnc(C)c1CNc1cnc2cc(Cl)ccc2n1 624320625 ZWOBNROTLNJQMY-UHFFFAOYSA-N 302.769 2.815 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)c1cnc(-c2ccsc2)s1 136535007 FGKSQYODOUTHOH-JTQLQIEISA-N 322.411 2.951 0 50 DFAA CCc1ncnc(N2CCC3(CC2)C[C@@H]3c2nnc(C)o2)c1F 361066588 BKZZXQRSWJLWKN-LLVKDONJSA-N 317.368 2.644 0 50 DFAA O=C(NOC[C@@H]1CCOC1)c1cc(-n2cccc2)ccc1Cl 935594923 ZFFICGJPSKZHRY-GFCCVEGCSA-N 320.776 2.829 0 50 DFAA O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 19372185 VLMSMLFGFRLLMJ-UHFFFAOYSA-N 312.388 2.826 0 50 DFAA C[C@H](NC(=O)OC(C)(C)C)[C@H](NCCCO)c1ccccc1 863983663 LTCPWIDKRZTWBJ-ZFWWWQNUSA-N 308.422 2.613 0 50 DFAA Cc1ccc(N)c(C(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1 1875279160 VHYDMEPWIUSAHJ-WDEREUQCSA-N 316.323 2.759 0 50 DFAA CC(C)N1CCN(c2cccc(N[C@H](C)C3(O)CCC3)c2)CC1 1875394073 UDDJUZWKVXBWEQ-MRXNPFEDSA-N 317.477 2.932 0 50 DFAA CN(C)c1ccnc(-c2noc(CCC3CCOCC3)n2)c1 1775994664 XINJZWXSHNIICT-UHFFFAOYSA-N 302.378 2.557 0 50 DFAA C[C@H]1c2nccn2CCN1C(=S)NCCCCC(F)(F)F 2325772268 MCQWJRGWJWHWOC-JTQLQIEISA-N 320.384 2.867 0 50 DFAA NCc1ccoc1C(=O)N[C@@H]1CCO[C@H](c2cccc(F)c2)C1 2325799368 QSFNEKCAKCELCK-CABCVRRESA-N 318.348 2.528 0 50 DFAA CC1(C)CC=CCN(C(=O)C2[C@@H]3CN(CC(F)(F)F)C[C@@H]23)C1 2325800180 UWFGLCJCGWFGLO-VXGBXAGGSA-N 316.367 2.541 0 50 DFAA COC1(C(F)(F)F)CN(c2ncc(C)c(-c3cccnc3)n2)C1 2325802537 MWWXTXMLOJIJLM-UHFFFAOYSA-N 324.306 2.615 0 50 DFAA C[C@]1(O)CN(C(=O)c2ccc(C3=CCCC3)cc2)CC[C@@]1(C)O 2325810788 DYCDMPODIGBMDZ-MOPGFXCFSA-N 315.413 2.602 0 50 DFAA COc1cc2c(-c3cnc4nc(O)ccc4c3)cn(C)c2cn1 2325862857 LFTVXVFUADYUMY-UHFFFAOYSA-N 306.325 2.898 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)NC(=O)N1 178341 BQEMMMHYWKQXDM-HNNXBMFYSA-N 318.348 2.939 0 50 DFAA CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1 474665 MWXQRNJKMHHKND-UHFFFAOYSA-N 302.305 2.802 0 50 DFAA Cc1cc(O)ccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356154097 IBCNDXUFERIOFY-ZWKOTPCHSA-N 311.381 2.691 0 50 DFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(C)c(F)c2)CC[C@@H]1O 2356159353 WZVGPZIXUXIZNY-DOTOQJQBSA-N 309.381 2.572 0 50 DFAA Cc1cc(S(=O)(=O)NCc2ccccn2)c(C)c(C)c1C 4744856 WOTNYAGBRGCGAJ-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA O=C1C[C@H]([C@@H]2CCCO2)C(=O)N1c1cccc(C(F)(F)F)c1 100312891 LMGMILKVWAMLBG-NEPJUHHUSA-N 313.275 2.764 0 50 DFAA Cc1c(C(=O)NCCc2c[nH]cn2)n(C)c2ccc(Cl)cc12 9262042 LXZQOCMNEVGADT-UHFFFAOYSA-N 316.792 2.836 0 50 DFAA CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccs2)NC(=S)N1 22258354 MZCHOYLSPQOFOJ-NSHDSACASA-N 310.444 2.883 0 50 DFAA Cc1nc2c(N(CCCO)[C@@H](C)c3ccccc3)ncnc2o1 63847440 NKFUESFGKCRTFD-LBPRGKRZSA-N 312.373 2.876 0 50 DFAA CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 67338996 ROWNQBCPVDDYNP-UHFFFAOYSA-N 318.398 2.627 0 50 DFAA Cc1nc(C)c(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)s1 67771779 LHFIYTMXPGDYNI-VIFPVBQESA-N 308.407 2.686 0 50 DFAA CC[C@H](NCc1ccc2nonc2c1)C(=O)Nc1ccccc1 65386691 ZGDVODVZQUCKIC-AWEZNQCLSA-N 310.357 2.730 0 50 DFAA COc1cc(C(=O)Nc2cnn(C(C)C)c2)cc(OC)c1OC 66411916 DZHCBFFGLLFVKW-UHFFFAOYSA-N 319.361 2.742 0 50 DFAA Cc1nn(C)c(C)c1CN(Cc1cccc2c1OCO2)C1CC1 65395758 VWEXKCIUEYHZNK-UHFFFAOYSA-N 313.401 2.930 0 50 DFAA Cc1c(O)cccc1C(=O)N(C)C[C@H]1COc2ccccc2O1 67741313 UJBITSZIQLCTAL-ZDUSSCGKSA-N 313.353 2.613 0 50 DFAA Brc1ccc(OC[C@H]2CO2)c(Br)c1 1849775 NFWLWLQSZIJYFR-SSDOTTSWSA-N 307.969 2.989 0 50 DFAA in-vitro O=S(=O)(CC[C@@H]1CCCO1)N1CCc2c(Cl)cccc21 124290512 ZIDKODDKLPZJLG-NSHDSACASA-N 315.822 2.601 0 50 DFAA O[C@@H]1c2ccccc2C[C@@H]1N1CCO[C@@H](c2cccs2)C1 253418698 VNKXAHRQWAOWOL-ZMSDIMECSA-N 301.411 2.780 0 50 DFAA CC(C)c1ncc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)s1 151439292 YWSZNJIVZRXRQQ-CYBMUJFWSA-N 317.414 2.955 0 50 DFAA c1ccc(-n2nnnc2N2CCn3c(cc4ccccc43)C2)cc1 360105208 QDQOHZIYGNCOKL-UHFFFAOYSA-N 316.368 2.637 0 50 DFAA CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1c(C)nn2C 72115716 UZNZDIIYSFGWDA-GFCCVEGCSA-N 315.373 2.610 0 50 DFAA CC(C)n1cc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cn1 77353308 AYUNWYVWYBLZLP-QGZVFWFLSA-N 323.400 2.832 0 50 DFAA C[C@H]1CCN(C)c2ccccc2N1C[C@H](O)COC(C)(C)C 126103760 RKMCGPQABWESDD-GJZGRUSLSA-N 306.450 2.897 0 50 DFAA c1cncc(CN2CCC(NCCc3cccs3)CC2)c1 155621704 AOXFHCVDXHLPKX-UHFFFAOYSA-N 301.459 2.940 0 50 DFAA O=C(CN1CCC[C@H](CCc2ccc(F)cc2)C1)NC1CC1 72148453 VQVWZNZVSSFXKG-OAHLLOKOSA-N 304.409 2.749 0 50 DFAA O=C(/C=C/c1cccc(O)c1)NCCC[C@@H]1CCCC[C@H]1O 156451654 GNGDFISDQVNCBF-ALZIZJOTSA-N 303.402 2.853 0 50 DFAA CCc1ccccc1O[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1O 72115748 KOPIKYRAMITANH-BMFZPTHFSA-N 305.418 2.778 0 50 DFAA COc1ccc2[nH]c(C(=O)N3CCC[C@@H](N(C)C)CC3)cc2c1 72121532 NTSULTOORZAZOD-CQSZACIVSA-N 315.417 2.733 0 50 DFAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1F 237352111 WAISPPPKMIYVDF-NSHDSACASA-N 309.337 2.551 0 50 DFAA C[C@@H](Cc1cnn(C)c1)NCc1nc2ccc(F)cc2s1 449588129 PQLYBFAXQOSELJ-JTQLQIEISA-N 304.394 2.890 0 50 DFAA CN1C[C@@H](C(=O)N(C)c2ccc(F)cc2)c2ccccc2C1=O 373914031 WZJHJNUPWWVENX-MRXNPFEDSA-N 312.344 2.658 0 50 DFAA O[C@H]1CCCN(C2CCN(CCSc3ccccc3)CC2)C1 72167691 ZSEQAPFQHOIPCZ-KRWDZBQOSA-N 320.502 2.700 0 50 DFAA CCCc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)co1 282665525 VPMGSPCGYDKQED-HIFRSBDPSA-N 318.348 2.714 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)N(C)C)CC1 47987846 GWKVFDFKASAXDG-UHFFFAOYSA-N 323.824 2.981 0 50 DFAA Cc1cc([C@@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)no1 223390427 XTIVAMCKJHDOHY-LBPRGKRZSA-N 310.304 2.942 0 50 DFAA Cc1nn(C)c(C)c1NC(=O)c1cc(Cc2ccccc2)[nH]n1 339892839 XHXQWYYDXYKETJ-UHFFFAOYSA-N 309.373 2.603 0 50 DFAA C[C@H]1[C@@H](NCC2=CCCOC2)[C@H](C)CCN1C(=O)OC(C)(C)C 496423359 FKHQMVOPEXKGGV-YCPHGPKFSA-N 324.465 2.957 0 50 DFAA Cc1nc(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)oc1C 340238182 RXBASJPJAJEBAT-WFASDCNBSA-N 308.328 2.878 0 50 DFAA CCCc1cc(C(=O)NC[C@H](OC)c2ccc(F)cc2)[nH]n1 174506715 VKFQIOFSAUIGBE-HNNXBMFYSA-N 305.353 2.619 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](N(C)CC(=O)O)CC2)o1 263492794 IYBJTJOAWIJGLU-FMKPAKJESA-N 320.433 2.774 0 50 DFAA CC1(C)CN(C(=O)CCc2ccc(C(=O)O)cc2)CC(C)(C)O1 263553254 XNSGDNOQXWORCD-UHFFFAOYSA-N 319.401 2.733 0 50 DFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cn[nH]c4C)C3)nc2c1 175834201 XVIRZKZNRVTHIN-ZDUSSCGKSA-N 323.400 2.923 0 50 DFAA CC[C@@H](NC(=O)c1c(Cl)c(C)nn1C)c1ccc(C)cn1 426597240 OPTLWZRABHTHAX-LLVKDONJSA-N 306.797 2.966 0 50 DFAA CCn1ccnc1CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 95363979 GCMWWVZGONZSFC-INIZCTEOSA-N 313.401 2.981 0 50 DFAA Cn1c(N2CC[C@](CO)(c3ccccc3)C2)nc2ccccc21 292294260 KTHKVSIAAIEWHK-IBGZPJMESA-N 307.397 2.714 0 50 DFAA O=C(c1ccncc1C(F)(F)F)N1C[C@@H](CO)c2ccccc21 293807641 DGOSVSOIYVQKOX-JTQLQIEISA-N 322.286 2.837 0 50 DFAA O=C(CC1CCC(C(F)(F)F)CC1)NCc1csc(=O)[nH]1 181159007 KHOBMGBLGCKHQA-UHFFFAOYSA-N 322.352 2.811 0 50 DFAA C[C@H](NC(=O)N1CCN(C2CC2)C[C@@H](C)C1)c1cccc(O)c1 297267653 ORFKZVOMZWSUJT-KGLIPLIRSA-N 317.433 2.579 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)Cc1ccco1)CC2 299750926 OUTKFZWFYVHBRI-GFCCVEGCSA-N 301.390 2.890 0 50 DFAA N[C@H](C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)c1ccccc1 299753236 XKFQPMPTGPVGNV-QRVBRYPASA-N 324.424 2.801 0 50 DFAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc(C)cc(Cl)c1)CC2 299798717 VNFAJCOJVBKZFE-HLLBOEOZSA-N 323.820 2.793 0 50 DFAA CN(CCN(C)C1CCCC1)C(=O)CCC(=O)c1ccccc1 584903197 AJONSJIGUDOOLA-UHFFFAOYSA-N 316.445 2.982 0 50 DFAA CCCn1cnnc1CN(C)Cc1ccc(C(F)(F)F)nc1 670437765 KFFUSMDWXDESFT-UHFFFAOYSA-N 313.327 2.734 0 50 DFAA CCn1c(CNC(=O)Cc2csc(C)n2)nc2ccccc21 670439858 XXRXIVYZZJZACQ-UHFFFAOYSA-N 314.414 2.680 0 50 DFAA C=CC(=O)N(CCC)C1CCN(C(=O)c2ccccc2)CC1 1353213718 AAUUMOHMLARTQN-UHFFFAOYSA-N 300.402 2.716 0 50 DFAA C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(Cl)cc2O)C1 1434359541 XBSFKLKDFAQPMN-VIFPVBQESA-N 305.765 2.603 0 50 DFAA CC1(C)C[C@@]1(C(=O)NCCCn1ccnc1)c1ccc(F)cc1 91270305 MBTXJGAIMKPLBE-SFHVURJKSA-N 315.392 2.896 0 50 DFAA in-vitro COCc1nsc(NC(=O)c2cc(C3CCCCC3)n[nH]2)n1 273322686 XHAJTHSDHGQIRB-UHFFFAOYSA-N 321.406 2.708 0 50 DFAA Cc1cccc2ncnc(NC[C@H]3CN(CC(C)C)CCO3)c12 301502658 XYHDOBNOECWLDE-HNNXBMFYSA-N 314.433 2.707 0 50 DFAA CC[C@H](NC(=O)Cc1ccncc1)[C@@H](O)c1c(F)cccc1F 272468599 YVBKNKLPMJJXHA-WMLDXEAASA-N 320.339 2.531 0 50 DFAA Cc1cc(Br)oc1C(=O)N[C@@]1(C)CCCOC1 408092394 RTGXIQWAGCQUKH-LBPRGKRZSA-N 302.168 2.649 0 50 DFAA CCc1oc2ccccc2c1CC(=O)N1CCC[C@H]1C(=O)O 630174583 KRGPMGMQWCLATL-ZDUSSCGKSA-N 301.342 2.613 0 50 DFAA c1ccc(N[C@@H]2CCN(c3nccc(N4CCCC4)n3)C2)cc1 169985538 TVWZCFVTFTXCQF-MRXNPFEDSA-N 309.417 2.768 0 50 DFAA C[C@@H](O)CSc1nnc(-c2ccc(Br)cc2)o1 170091667 RQIMFIYLIRWMAR-SSDOTTSWSA-N 315.192 2.972 0 50 DFAA COC(=O)C1(NC(=O)c2cccc(C)c2O)CCCCCC1 170594270 ZNLBJGXAYRNWJH-UHFFFAOYSA-N 305.374 2.696 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2CC[C@@H](C3CCOCC3)C2)c1 634692079 UBUBTZKUEWIELL-WBVHZDCISA-N 319.401 2.569 0 50 DFAA Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc(C)c(O)c(C)c1 671126745 NLDHGMPWIRFBOS-SFHVURJKSA-N 324.424 2.991 0 50 DFAA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cccn2C)C1 190458898 PMLDEYSOYLZDDU-OAHLLOKOSA-N 318.490 2.744 0 50 DFAA CCNc1cc(C)ccc1NC(=O)Cc1c(C)nn(C)c1C 191389444 QBNVYLULBRCFNW-UHFFFAOYSA-N 300.406 2.958 0 50 DFAA CCO[C@H]1C[C@@H](N(C)Cc2cn(C(C)(C)C)nn2)C12CCC2 191447024 MZEPZILUERXEAY-CABCVRRESA-N 306.454 2.813 0 50 DFAA CC[C@@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)OC 192107660 SQCNBGMDYNUIPO-HZSPNIEDSA-N 315.772 2.850 0 50 DFAA C[C@H]1CN(C(=O)CCc2ccon2)C[C@@H](c2ccccc2)O1 646756427 RDKCHQIRQGEEPN-BBRMVZONSA-N 300.358 2.596 0 50 DFAA O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccc3ccccc23)CN1 194878685 OEXRFDCAGHNPPU-YOEHRIQHSA-N 308.381 2.639 0 50 DFAA C[C@H](CO)C1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 652861804 RUBTWDQYRNNFAV-LLVKDONJSA-N 320.414 2.884 0 50 DFAA COC(=O)CCc1csc(-c2c(C)nc3sccn23)n1 195230742 RUFKKNYIHNIDFG-UHFFFAOYSA-N 307.400 2.933 0 50 DFAA Cc1ccc([C@H]2COCCN2Cc2ccc(C(=O)O)c(F)c2)o1 659787640 OBUJASGVDBKOKC-OAHLLOKOSA-N 319.332 2.999 0 50 DFAA C=CC[C@H]1C=CC[C@H](CC=C)N1C(=O)C1CCN(C(C)=O)CC1 211300555 VIXYSQDKDLOUJV-ROUUACIJSA-N 316.445 2.923 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2ccnn2C)C[C@@H](c2ccccc2)O1 1529167294 INFIOPRSHNRYRB-SJORKVTESA-N 313.401 2.658 0 50 DFAA c1cc2c(s1)CCOC21CCN(C[C@@H]2CCCNC2)CC1 1704344138 OFBKOHROTBXVNJ-CQSZACIVSA-N 306.475 2.612 0 50 DFAA COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OC 13140241 LPMQCBIQYLTZFQ-OWCVQMPJSA-N 322.360 2.856 0 50 DFAA biogenic Cc1ccc(COc2ccc(CNc3nnnn3C)cc2)cc1 13532869 BLEQJJNTAOIFCP-UHFFFAOYSA-N 309.373 2.710 0 50 DFAA COc1cccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)c1 4483128 PUDURXBBELTJQK-BOPFTXTBSA-N 310.353 2.811 0 50 DFAA Cc1cc(C)n(CCC(=O)Nc2n[nH]c3c(F)cccc23)n1 1875242445 TYQYITBOUXEHJG-UHFFFAOYSA-N 301.325 2.544 0 50 DFAA Cc1nn(C[C@H](O)COc2ccc3c(c2)CCC3)c(C)c1C 1068739 OYIKJYAVINJMNP-KRWDZBQOSA-N 300.402 2.737 0 50 DFAA Cc1ncccc1CN[C@H]1CCO[C@@H]1c1ccnn1C(C)C 331961472 HXTSILBMJRSRFL-RDJZCZTQSA-N 300.406 2.787 0 50 DFAA CO[C@@H]1C[C@@H]2C[C@H](Nc3ccc4c(c3)N(C(N)=O)CC4)C[C@@H]2C1 333385070 BZQGAWRGNZBPBT-SDSIWUNFSA-N 315.417 2.743 0 50 DFAA Cc1cnc(CCNC(=O)N(C)C2CCC(C)(C)CC2)cn1 333550867 FQCJJBKUKVLVRZ-UHFFFAOYSA-N 304.438 2.938 0 50 DFAA C[C@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 12883231 XJQZFHHMHTUURG-PHIMTYICSA-N 316.323 2.753 0 50 DFAA CCc1occc1C(=O)NC[C@@H](C(=O)O)c1ccc(F)cc1 263553001 XJBFVHCPGZBQLH-CYBMUJFWSA-N 305.305 2.579 0 50 DFAA CCOc1ncccc1-c1noc(/C=C/[C@@H]2CCCNC2)n1 872176138 NORBUQHRSVUXCL-GUOLPTJISA-N 300.362 2.543 0 50 DFAA c1ccc2c(-c3noc([C@@H]4CCc5nn[nH]c5C4)n3)coc2c1 952893342 IRZRZDQXZBQXSE-SECBINFHSA-N 307.313 2.873 0 50 DFAA Cn1ncc2c(NC(=O)c3cc(-c4ccco4)[nH]n3)cccc21 1875261824 MFJIFTDLSOVBBX-UHFFFAOYSA-N 307.313 2.809 0 50 DFAA Cc1nccc(CCC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)n1 888829847 JKJILLDFXWTWIU-KXBFYZLASA-N 322.412 2.650 0 50 DFAA COC(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 611786 JIUVSZIGTBELLJ-UHFFFAOYSA-N 303.289 2.630 0 50 DFAA COc1cccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)c1 6701735 WRUTXEAYYQYJHO-UHFFFAOYSA-N 308.337 2.676 0 50 DFAA CN1CCN(Cc2cccc(-c3ncn4ccccc34)c2)CC1 2325859349 WLXSHXGMMZACDN-UHFFFAOYSA-N 306.413 2.749 0 50 DFAA O=C(O)c1cc(NC(=O)c2ccc(Cl)cc2)cc(C(=O)O)c1 12853 FCIYBTVPZNALLN-UHFFFAOYSA-N 319.700 2.989 0 50 DFAA CCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 191358 OBZXYDODYRPOEU-UHFFFAOYSA-N 301.342 2.792 0 50 DFAA O=C(O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 331461 HTGYRHUXRYMVAM-RCOVLWMOSA-N 301.224 2.835 0 50 DFAA CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)O 1081343 FHEPEWKHTOVVAT-CQSZACIVSA-N 316.357 2.914 0 50 DFAA biogenic,in-vitro Cc1nnc(CN2CCC3(CC2)OCCc2sccc23)o1 2356142685 CHWODASSYWJCNN-UHFFFAOYSA-N 305.403 2.504 0 50 DFAA COc1ccc(S(=O)(=O)NCc2cccs2)c(C)c1C 6703574 ZOJACQNZKMBCHF-UHFFFAOYSA-N 311.428 2.852 0 50 DFAA CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 8722961 IKMZZZSBCKNECE-CYBMUJFWSA-N 312.369 2.761 0 50 DFAA CCc1ccc([C@@H](NC(=O)C(=O)Nc2ccon2)C(C)(C)C)o1 225494538 CGYHGLZFWCVRDX-CYBMUJFWSA-N 319.361 2.672 0 50 DFAA O=C(O)[C@@H]1[C@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@H]1C21CC1 102987596 AJOZMNVJNWXRBZ-MHWZDGSBSA-N 301.317 2.677 0 50 DFAA O=C(NCc1ccccc1)C1CCN(C(=O)C2CC=CC2)CC1 172548428 ZCHHLPKGHLOUBZ-UHFFFAOYSA-N 312.413 2.508 0 50 DFAA Cc1ccc(O)c(CN(CCN(C)C)Cc2ccsc2)n1 55341060 UAYLYFHAZLRVDJ-UHFFFAOYSA-N 305.447 2.721 0 50 DFAA CC(=O)N1CC[C@H](C(=O)N(c2cc(C)ccc2C)C(C)C)C1 346494715 AJIUUXQBIXVJFY-INIZCTEOSA-N 302.418 2.913 0 50 DFAA CC(=O)N1CC(c2nc(-c3cc(C)c4ccccc4n3)no2)C1 350258630 MYFZAHRRUSZSLL-UHFFFAOYSA-N 308.341 2.539 0 50 DFAA C[C@H](CS(=O)(=O)c1ccccc1)Nc1ccc2[nH]ncc2c1 120319552 MWYVYJXKMWELHA-GFCCVEGCSA-N 315.398 2.837 0 50 DFAA CS[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)C[C@@H](C)O 229836073 RXKMMQNFELUPKT-JHJVBQTASA-N 302.484 2.757 0 50 DFAA CC(=O)c1cc(CN2CCC([C@@H](C)N3CCCC3)CC2)n(C)c1 215612902 YKDCRYLQFNCRJU-OAHLLOKOSA-N 317.477 2.924 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 230109494 UJNQMTCFQVUDIK-ARFHVFGLSA-N 317.433 2.817 0 50 DFAA CC1CCN(C(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)CC1 33089116 BKKRRKXBZABGIM-ZDUSSCGKSA-N 310.397 2.991 0 50 DFAA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)CC(=O)N1 6819401 KSZHLZOVECPFEF-CYBMUJFWSA-N 305.349 2.902 0 50 DFAA CCc1c(C(=O)N(C)Cc2cscn2)cnn1C(C)(C)C 149625759 IBPRMLVERNXLMV-UHFFFAOYSA-N 306.435 2.929 0 50 DFAA C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(-n2cnnn2)cc1 152280430 FAUZWIZYUHZXGB-MLGOLLRUSA-N 309.373 2.984 0 50 DFAA C[C@@H](NC(=O)c1cccc(C(=O)O)n1)c1ccc(F)c(F)c1 362495669 DBFTZLQUVHCDRE-MRVPVSSYSA-N 306.268 2.549 0 50 DFAA Oc1ccc(-c2nccn2C[C@H](O)COC2CCCCC2)cc1 72427303 OCDZXEAASWZDFH-INIZCTEOSA-N 316.401 2.966 0 50 DFAA CC(C)n1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cn1 77472084 CAOPZMKODJBBBI-INIZCTEOSA-N 318.396 2.636 0 50 DFAA CCc1[nH]c2ccc(CNC(=O)[C@@H]3CSCN3C)cc2c1C 71753718 HYUFKOQFKJDCEN-INIZCTEOSA-N 317.458 2.660 0 50 DFAA CCn1cc(C2CCN(CC[C@H]3CCCCN3C)CC2)cn1 372017097 LJLRPAGCKDBLIA-GOSISDBHSA-N 304.482 2.957 0 50 DFAA Cc1cccnc1C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 262113239 VUNPPGZFSORKPT-OAHLLOKOSA-N 315.804 2.830 0 50 DFAA O=C(/C=C/c1ccc[nH]1)N1CCC[C@]1(CO)Cc1ccccc1 372763651 GLFCLMPCPMZWES-JBVUFVISSA-N 310.397 2.624 0 50 DFAA CN1CCCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 72431679 GBICZFVMDCRIQE-KRWDZBQOSA-N 318.461 2.604 0 50 DFAA COc1ccc(N(C)C(=O)c2csc([C@H]3CCCO3)n2)cn1 123188103 NYPBVNCPEXQFDD-GFCCVEGCSA-N 319.386 2.675 0 50 DFAA CN1CCC[C@H]1CNCc1ccccc1OCc1cccnc1 237086931 SEWQNMBTJVBPAW-SFHVURJKSA-N 311.429 2.844 0 50 DFAA NC(=O)c1ccccc1OCc1ccn(-c2ccc(F)cc2)n1 132952882 ANLBSLOVBYBCQX-UHFFFAOYSA-N 311.316 2.689 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 282136074 PQKCXHWFABRQBS-KZNAEPCWSA-N 317.429 2.989 0 50 DFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc3ccccc3o2)C1 379165671 ZIKIYZZHPUHARI-MFKMUULPSA-N 312.291 2.927 0 50 DFAA Cc1noc(C2CC2)c1C(=O)NC[C@@H](C)CN1CCCCC1 131321425 SUZGAGNLXDLRCN-GFCCVEGCSA-N 305.422 2.712 0 50 DFAA Cc1cc(C)cc(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1 82161185 GWCPMBYZZPHHQV-UHFFFAOYSA-N 308.381 2.792 0 50 DFAA C[C@@H](CCN1CCC(n2cc(CO)nn2)CC1)CC(C)(C)C 48501587 UIZXQCFLYZNJHG-AWEZNQCLSA-N 308.470 2.870 0 50 DFAA CC(C)[C@@H](CC(=O)O)NC(=O)c1ccccc1C(F)(F)F 136188660 MGHDQECZUBGTAS-LLVKDONJSA-N 303.280 2.935 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 47987653 YRWZPJYIRONNBJ-GFCCVEGCSA-N 323.824 2.981 0 50 DFAA Cc1ccc(S(=O)(=O)n2ccc3c(CN)cccc32)cc1 91691985 JHRFJDRMDHBZPF-UHFFFAOYSA-N 300.383 2.645 0 50 DFAA Cc1ccc(-c2nc(C3(C(N)=O)CC3)n(C3CCCCC3)n2)o1 95521445 OBHRTOSCNCAYPJ-UHFFFAOYSA-N 314.389 2.869 0 50 DFAA c1ccc(-n2nc([C@@H]3CCOC3)nc2-c2n[nH]c3c2CCC3)cc1 97436841 HXNWWCMISQUYSD-GFCCVEGCSA-N 321.384 2.650 0 50 DFAA COCCC[C@]1(CO)CCCN(C(=O)NC2CCCCC2)C1 91390719 QUQIDBQYERZPJZ-QGZVFWFLSA-N 312.454 2.530 0 50 DFAA O=C1CCCCCN1CC(=O)N1CC[C@H]1c1ccc(F)cc1 95516455 VGAAWJREANOSME-HNNXBMFYSA-N 304.365 2.502 0 50 DFAA Cc1ccc([C@@H](CNc2ncnc3onc(C)c23)N(C)C)o1 91492947 AQWBLQCKPXIUEJ-LLVKDONJSA-N 301.350 2.542 0 50 DFAA CCc1ocnc1C(=O)NC[C@H]1CCOc2ccccc2C1 97711796 YTUXUMAWMYDUSC-LBPRGKRZSA-N 300.358 2.608 0 50 DFAA O=C(C1CCOCC1)N1CCC(OCc2ccccc2)CC1 97244085 DAPGVDLDCINHHU-UHFFFAOYSA-N 303.402 2.621 0 50 DFAA Cc1cc(C)c2c(CC(=O)N3[C@H]4CC[C@@H]3CCNC4)coc2c1 96142268 UPCNXCAWETZTMJ-CVEARBPZSA-N 312.413 2.945 0 50 DFAA CN1CCC[C@@H]1CN1CCC(c2nc3cc(F)ccc3[nH]2)CC1 244724448 MUHUFBMYEONBOM-OAHLLOKOSA-N 316.424 2.976 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccc(Cl)cc1 245227305 BHJUASNSOCANDM-DDHJSBNISA-N 319.788 2.869 0 50 DFAA CCOc1ccccc1N1CCN(C[C@@H]2CCCOC2)CC1 244853075 VESCMUCERQPEMK-INIZCTEOSA-N 304.434 2.634 0 50 DFAA Cc1nc(C2CC2)ccc1C(=O)NCc1cn2ccsc2n1 294477551 UAPAWJDKRSSTCC-UHFFFAOYSA-N 312.398 2.907 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 255188611 KNYZJDCEBYKHBQ-HDJSIYSDSA-N 319.405 2.647 0 50 DFAA CSCC1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 252485508 GXEAQWLPPHYASI-CQSZACIVSA-N 306.475 2.766 0 50 DFAA CS[C@@H]1CCCCN(C(=O)c2ccn(C3CCOCC3)n2)C1 599705596 YMHRFFSTNAWLFV-CQSZACIVSA-N 323.462 2.592 0 50 DFAA COc1ccc([C@H](NC2CCN(C)CC2)c2ccncc2)cc1 584903402 DDJREWQXIRVVPA-IBGZPJMESA-N 311.429 2.863 0 50 DFAA CCCN1C[C@H](NCc2cc3c(cc2OCC)CCC3)CC1=O 952988826 QBOYXEDSDOASLH-QGZVFWFLSA-N 316.445 2.675 0 50 DFAA CN(C[C@H](O)c1cccnc1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 1456940408 YFESLOVQSXUPNW-JENIJYKNSA-N 310.397 2.551 0 50 DFAA O=C(NCc1ccco1)[C@@H]1CCCN1c1cccc(Cl)n1 170616248 JJPWDXVOUBYZEV-LBPRGKRZSA-N 305.765 2.613 0 50 DFAA CS(=O)(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccsc1 170618106 NHQCSOSDDRNPCI-GFCCVEGCSA-N 312.441 2.920 0 50 DFAA O=C(NCCNc1ncc(Cl)cc1Cl)N1CC=CCC1 679372425 YKNNIKQWWMJTPI-UHFFFAOYSA-N 315.204 2.772 0 50 DFAA O=C(O)CCN(Cc1cccnc1)C(=O)c1coc2ccccc12 738587422 MHERMZPCSKKIKB-UHFFFAOYSA-N 324.336 2.945 0 50 DFAA O=C(O)c1ccccc1OCCN1CCC(c2ccon2)CC1 659802917 ZTIVRRLWPFUCPY-UHFFFAOYSA-N 316.357 2.631 0 50 DFAA O[C@H](CN1CCc2n[nH]cc2C1)c1cccc(C(F)(F)F)c1 773517856 HXRJAOSSYLBZRV-CQSZACIVSA-N 311.307 2.520 0 50 DFAA COC(=O)Nc1cccc(NC(=O)N2CCS[C@H]3CC[C@H]32)c1 1615570849 AJFSGARVAITVPI-OLZOCXBDSA-N 321.402 2.977 0 50 DFAA Cc1csc([C@@H](C)CNc2cccc(C(=O)N(C)C)n2)n1 1506411687 UGJOQTUQRDZACO-JTQLQIEISA-N 304.419 2.764 0 50 DFAA O=C(/C=C/c1ccc(Br)cc1)Nc1nncs1 461514 WKLKCCUBNJPEPE-ZZXKWVIFSA-N 310.176 2.953 0 50 DFAA CC1=CC2(CCN(C(=O)CCc3cc(Cl)no3)CC2)OCC1 1704342393 AXXNOCVYUVJZSO-UHFFFAOYSA-N 324.808 2.988 0 50 DFAA Cn1nnc2cc(-n3ccnc3-c3ccccc3C(=O)O)ccc21 1775979146 GEHQRLTUJBCSGR-UHFFFAOYSA-N 319.324 2.519 0 50 DFAA CCCCN1C[C@H]2CN(C/C=C/c3ccccc3)C[C@@]2(CO)C1 1772807765 ADALKOZYCBRFFH-GSSTWSARSA-N 314.473 2.726 0 50 DFAA CCC(CC)NC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12299132 SHOCZFZLGZXQSS-CQSZACIVSA-N 320.408 2.869 0 50 DFAA Cc1c(C(=O)Nc2cccc([C@@H](C)O)c2)nnn1-c1ccccc1 16649843 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2.950 0 50 DFAA CC(C)c1cccc(NC(=O)N2CCn3ncc(CO)c3C2)c1 1875266342 KQWPCBBJJNTYGV-UHFFFAOYSA-N 314.389 2.547 0 50 DFAA C[C@@H](NC(=O)Nc1cn(C)nc1C(F)F)c1ncccc1F 1875296560 DDKJMNHOJHFHHB-SSDOTTSWSA-N 313.283 2.775 0 50 DFAA C[C@@H]1OCC[C@H]1Cc1noc(-c2ccc(-c3cnn(C)c3)o2)n1 1875299079 YCQJAZRGOSGCAN-QWRGUYRKSA-N 314.345 2.698 0 50 DFAA c1ncc(CCc2nc([C@@H]3CC[C@H]4COCC[C@@H]4C3)no2)cn1 1875308102 YTNXKOJKTWGYMR-KFWWJZLASA-N 314.389 2.565 0 50 DFAA CCC(O)(CC)CN(C=O)Cc1ccc(OC(C)C)c(OC)c1 1875324841 DBAZVWQXNNUIPL-UHFFFAOYSA-N 323.433 2.992 0 50 DFAA Cc1coc(C)c1CNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314161 KICRWLNZWSYHJR-PWSUYJOCSA-N 317.389 2.582 0 50 DFAA CC(C)Cn1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)n1 1875301624 NEZHJSWAMSRCCV-UHFFFAOYSA-N 323.400 2.859 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C3CCCC3)C3CC3)nn(C)c21 1875301085 DECXEWGVJDILTI-NEPJUHHUSA-N 317.433 2.990 0 50 DFAA Nc1c(C(=O)N2CCOC[C@@H]2CC2CC2)sc2ncccc12 886474197 KXQYAJOQJQNZAA-NSHDSACASA-N 317.414 2.520 0 50 DFAA Cc1cc(CNC[C@H](O)c2ccc(Br)cc2)on1 818978543 KYQVHYYENLMKRV-ZDUSSCGKSA-N 311.179 2.569 0 50 DFAA CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC23CCCC3)cc1 2325781989 KUWQDLJHRGXYDQ-HNNXBMFYSA-N 321.442 2.933 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CNC[C@H](C)C3)cc2)c1C 2325795508 JKJYSFUTVOLALE-IUODEOHRSA-N 312.417 2.673 0 50 DFAA CN(C)CCOC(=O)c1ccc2[nH]c3c(c2c1)CSCC3 190266 WNDHLINIYZAWCR-UHFFFAOYSA-N 304.415 2.676 0 50 DFAA in-man Cc1ncccc1CN1CCC[C@]12CCCN(C(C)C)C2=O 2356139991 PESVXFBJOOAJHW-GOSISDBHSA-N 301.434 2.755 0 50 DFAA COc1ccc([C@@]2(C)N(O)[C@H](C)C(c3ccccc3)=[N+]2[O-])cc1 3904814 BXHARHWTXGNMMQ-ACJLOTCBSA-N 312.369 2.961 0 50 DFAA Cc1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 8224229 VUNPIWLUEUNLAQ-UHFFFAOYSA-N 307.357 2.596 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)n1ccnc1CC 9061889 CLBPQBKTZJFRPW-UHFFFAOYSA-N 308.403 2.698 0 50 DFAA COc1ccc2nc(SCC(=O)N3CCC(C)CC3)[nH]c2c1 9189656 KACWBOSDSOVZSH-UHFFFAOYSA-N 319.430 2.922 0 50 DFAA COC(=O)c1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 20168199 PCMMQMFENUQHNL-GJZGRUSLSA-N 321.417 2.741 0 50 DFAA O=C(CCc1cccc(C(F)(F)F)c1)N[C@H]1C[C@@H](C(=O)O)C1 414453062 QJCSJLMJYYXJJA-KLPPZKSPSA-N 315.291 2.617 0 50 DFAA COc1ccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)cc1 20400075 YIYWYVNSGRIVRF-SNVBAGLBSA-N 304.371 2.514 0 50 DFAA CCn1cnnc1CN(C)C(=O)c1ccc(-c2ccccc2)[nH]1 67769912 RPVVWZMJFQCQGP-UHFFFAOYSA-N 309.373 2.565 0 50 DFAA O=C(O)CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 118064949 KAGUYBPATATYOM-UHFFFAOYSA-N 316.323 2.692 0 50 DFAA Cc1ccc(C)c(CC(=O)N(C)C[C@H]2CCc3nccn3C2)c1 328626950 MFWXYLIXEDXHGO-MRXNPFEDSA-N 311.429 2.763 0 50 DFAA Cc1ccncc1NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229318440 GKFYCMAGUVZINF-UVBSCNOISA-N 315.417 2.660 0 50 DFAA Cc1noc([C@H](C)N(C)C(=O)c2ccc(N3CCCC3)cc2)n1 219881628 VVLTXENWEMHIPK-LBPRGKRZSA-N 314.389 2.811 0 50 DFAA CC[C@H](NS(=O)(=O)c1cnn(CC)c1C)c1ccc(C)cc1 2804618 XKTOMCRWUGWFKB-HNNXBMFYSA-N 321.446 2.949 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)c(C)c1 72119106 AISVWDSWTAGFDT-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA CCCCC1CCC(C(=O)NC[C@H]2CCCN(C(N)=O)C2)CC1 360268014 YYISLRLQFSSZIZ-HWOWSKLDSA-N 323.481 2.890 0 50 DFAA C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@]2(CCCOC2)O1 253432293 XSZNMWMQTDMEDU-BXUZGUMPSA-N 316.323 2.875 0 50 DFAA O=C(NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCO1 152124541 YUAQUPYEAOWHAN-LBPRGKRZSA-N 303.280 2.822 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)NCCc2cccc(Cl)c2)CN1C1CC1 154553063 PDUGHXGKEOXHGW-IUODEOHRSA-N 321.852 2.807 0 50 DFAA Cn1nccc1C1CCN(C(=O)N[C@H]2CCc3ccccc32)CC1 155694712 DJDTXKDCMWBGKD-KRWDZBQOSA-N 324.428 2.997 0 50 DFAA O[C@H]1CCN(Cc2nnc(C3CC3)n2C2CC2)Cc2ccccc21 374953464 YCLSJQIJTYCYGI-KRWDZBQOSA-N 324.428 2.930 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2cc(O)nc3cc(F)ccc23)CCO1 332217887 LCYIITUWMNEWGD-OAHLLOKOSA-N 318.348 2.577 0 50 DFAA CC(C)n1cc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cn1 77353306 AYUNWYVWYBLZLP-KRWDZBQOSA-N 323.400 2.832 0 50 DFAA c1cnc(N2CCC[C@H](Nc3ncnc4c3CCCCC4)C2)nc1 333499291 VYUDMJGXCCVEIC-AWEZNQCLSA-N 324.432 2.616 0 50 DFAA Cc1nnc(CN(C[C@H]2CCCO2)C2CCCC2)n1C1CC1 173838882 FFAQABNFHUFKFC-MRXNPFEDSA-N 304.438 2.845 0 50 DFAA Cc1cc(C)cc(N2CCN(c3nc(C)cs3)CC2=O)c1 77471649 ZQDNBZYAGDYWBF-UHFFFAOYSA-N 301.415 2.922 0 50 DFAA Cc1cc(CNC(=O)C2(c3ccc(F)cc3F)CCC2)n(C)n1 283918915 DSGVGQQTBZVCIJ-UHFFFAOYSA-N 319.355 2.745 0 50 DFAA O=C(Cc1ccc(Cl)cn1)N1CCOc2cc(F)ccc21 339954064 GIPRWCFEKZHFLB-UHFFFAOYSA-N 306.724 2.842 0 50 DFAA COc1cc([C@@H](C)NC2(C(C)C)CC2)ccc1S(C)(=O)=O 340479037 OWZYEUYCECSSNH-GFCCVEGCSA-N 311.447 2.938 0 50 DFAA CN(CCCOc1ccccc1Cl)C(=O)C[C@@H]1CCOC1 426720002 RDQQIUHRVOKUOB-ZDUSSCGKSA-N 311.809 2.994 0 50 DFAA COCCn1c(C)c(C)s/c1=N\C(=O)C1C(C)(C)C1(C)C 43175774 JKGIMVBQKSRTGX-VKAVYKQESA-N 310.463 2.922 0 50 DFAA in-vitro CN(CCC1(O)CCCC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95376912 OMPIZATVWJETJD-INIZCTEOSA-N 322.424 2.582 0 50 DFAA Cc1cc(C)cc(CN2CCN(c3ccnc(C)c3)CC2=O)c1 95501618 ZKUJHEATWWZZPG-UHFFFAOYSA-N 309.413 2.856 0 50 DFAA Cc1nn(CC(=O)NCCCc2ccccc2F)c(C)c1C 97076306 SSFJEWXCWXMGJH-UHFFFAOYSA-N 303.381 2.696 0 50 DFAA CCn1c(CN(C)[C@H](C)Cc2cnccn2)nc2ccccc21 97522350 WGLPTZOAXDBKMV-CQSZACIVSA-N 309.417 2.909 0 50 DFAA CCc1nccn1CC1(CNC(=O)c2ccc(C)c(O)c2)CC1 244899670 ZNQKSUZUBZKTRE-UHFFFAOYSA-N 313.401 2.670 0 50 DFAA COCCN(Cc1ccc(C)cc1C)c1ncnc2n[nH]cc12 621266087 PKBVURMRCLFBEU-UHFFFAOYSA-N 311.389 2.623 0 50 DFAA O=C(Nc1ccnnc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 297533453 ZLHYYPFURSVBJU-IXDOHACOSA-N 324.384 2.513 0 50 DFAA COCCN(CCOC)C(=O)c1c(Cl)c2ccccc2n1C 298761911 URWNODGQCMFNAN-UHFFFAOYSA-N 324.808 2.567 0 50 DFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCc3c(Cl)cccc3C2)C1 263293636 MQGGENWGVDUXII-WDEREUQCSA-N 307.777 2.726 0 50 DFAA O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CCc2c[nH]nc2C1 366114596 KZLPOGACHFLOOW-LBPRGKRZSA-N 323.318 2.645 0 50 DFAA O=C(NCC[C@@H]1CCCOC1)Nc1cccc(-n2cccn2)c1 299759125 NTDZZITZSRBNRL-AWEZNQCLSA-N 314.389 2.811 0 50 DFAA Cc1csc([C@H](C)NC(=O)c2scc3c2OCCO3)n1 584891727 UCEMRXTWDZXMCP-QMMMGPOBSA-N 310.400 2.775 0 50 DFAA CCCn1ncnc1[C@H](C)n1cnc2ccc(CC)cc2c1=O 584897506 CIDYDMXODQUHSQ-LBPRGKRZSA-N 311.389 2.570 0 50 DFAA CNC(=O)c1ccc(NC(=O)c2ccc(Cl)cn2)c(C)c1 952974162 NJCJKIIVPWOTJD-UHFFFAOYSA-N 303.749 2.655 0 50 DFAA COC1CCN(C(=O)Nc2cn(C)nc2-c2ccccc2)CC1 272412987 ZZZSWQASLDLTKH-UHFFFAOYSA-N 314.389 2.730 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N2Cc3ccccc3C2)cn1 275468553 HXWCAZJTLPJXCT-DLBZAZTESA-N 311.385 2.523 0 50 DFAA O=C(Nc1ncc2c(n1)COC2)[C@H]1C[C@H]1c1cccc(F)c1F 637739837 SYODJOCINPXBGR-QWRGUYRKSA-N 317.295 2.527 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCc1ccnn1C 1506421133 XRCRFXLAIXIQQZ-UHFFFAOYSA-N 314.364 2.632 0 50 DFAA CN(C(=O)c1cc(F)c(F)cc1F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529152734 WAPJTDDJYOENPN-DTIDVZRVSA-N 313.319 2.725 0 50 DFAA NCC[C@@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 1704313227 ITAKPLFERAQFOA-LBPRGKRZSA-N 315.373 2.605 0 50 DFAA CO[C@@H]1C[C@H](C(=O)N(Cc2ccccc2)CC2CC2)CC[C@@H]1O 1704314411 PZKQYSOOVTVVJO-FGTMMUONSA-N 317.429 2.601 0 50 DFAA Cc1ccc(C)c(OCC(=O)N2CCC(C3(O)CC3)CC2)c1C 1772805527 MTSUQPZYNGDPLK-UHFFFAOYSA-N 317.429 2.754 0 50 DFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1/C=C/c1ccccc1 13125269 YKERISJBYVRNIZ-ATWMFIQVSA-N 310.357 2.795 0 50 DFAA Cc1ccc(OC[C@H](O)CNC2CCN(C(C)C)CC2)c(C)c1 19838621 BMUIMMHPIYQYGV-GOSISDBHSA-N 320.477 2.506 0 50 DFAA COc1cccc(SCC(=O)NCC2(O)CCCCC2)c1 153100266 MJHAFJZZEGZDAV-UHFFFAOYSA-N 309.431 2.599 0 50 DFAA CO[C@@H](CNC(=O)c1ccn2nccc2c1)c1cccs1 1857733414 JQULFVKNRLYLKH-ZDUSSCGKSA-N 301.371 2.513 0 50 DFAA CCOc1cc(C)c(CN2CC[C@H](CO)[C@@H](O)C2)cc1C(C)C 1857719421 MRJYMRUEEIXISV-QAPCUYQASA-N 321.461 2.692 0 50 DFAA COC(=O)[C@H]1CCc2nnc(-c3cc4ccccc4o3)n2CC1 601044495 QGYQAMPQBQZEJB-NSHDSACASA-N 311.341 2.817 0 50 DFAA CCc1cc(C)c(C(=O)N(C)C[C@H]2CCc3nccn3C2)o1 328618556 DWCJPYXDOSLXBN-CYBMUJFWSA-N 301.390 2.682 0 50 DFAA CNc1ccc(C(F)(F)F)cc1C(=O)N[C@@]1(C)CCOC1 162259962 ISIJQLJCVLEJME-ZDUSSCGKSA-N 302.296 2.656 0 50 DFAA Oc1nc2cccc(-c3nc(COc4ccccc4)no3)c2[nH]1 904303331 SCMYLEJDDNYSTM-UHFFFAOYSA-N 308.297 2.898 0 50 DFAA CC1(C)[C@@H]2CN(S(=O)(=O)c3cccc4ccncc34)C[C@H]21 914192403 WCYYKZDLVJTANZ-ZIAGYGMSSA-N 302.399 2.511 0 50 DFAA CCc1cccc(F)c1CNC[C@H](C(=O)O)C1CCOCC1 863745640 MZNGLCXMYUEGQA-HNNXBMFYSA-N 309.381 2.605 0 50 DFAA Cc1cc(C(=O)NC[C@@H](C)c2cccs2)n2nc(C)cc2n1 1875259674 BIJKNKSSMBVXIS-SNVBAGLBSA-N 314.414 2.941 0 50 DFAA C=CC(=O)N(Cc1cc(F)c(F)c(F)c1)C[C@@](C)(O)C1CC1 1875381664 CJYJXFIERNDYHZ-MRXNPFEDSA-N 313.319 2.780 0 50 DFAA C[C@@H]1CN(c2ncc(C(F)F)cn2)CCN1c1ccncc1 882820516 RPBIFNHGLQVKFS-LLVKDONJSA-N 305.332 2.524 0 50 DFAA CC(=O)N1CCC[C@H](c2nnc(CCc3ccc(C)o3)o2)[C@@H]1C 886084581 MBFPCAIVBQENGF-WFASDCNBSA-N 317.389 2.871 0 50 DFAA C[C@@H](NC(=O)NCc1ccc(CCO)cc1)c1ccsc1 894657970 YXCAFBGABXCVNK-GFCCVEGCSA-N 304.415 2.843 0 50 DFAA O=C(COc1ccnc(C2CC2)c1)N1CCc2sccc2C1 1776004093 NVBJDHXBNTZNAG-UHFFFAOYSA-N 314.410 2.984 0 50 DFAA C[C@H]1CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C[C@@H](C)[C@@H]1N 2325778382 WOBXMQQWCMAOBF-JSEZXORMSA-N 307.482 2.780 0 50 DFAA COc1cc2c(N[C@H]3C[C@@H]4COC[C@@H]4C3)nc(C)nc2cc1F 2325800645 ZRXLDKMZMPADNA-GDNZZTSVSA-N 317.364 2.923 0 50 DFAA COc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1 152439 YDVLCSJOWGHRPU-UHFFFAOYSA-N 324.340 2.712 0 50 DFAA CN(C)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1 269678 JXIFZCAMPKFFMR-UHFFFAOYSA-N 316.430 2.614 0 50 DFAA CC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 806941 DWKXPCZUSOHJLP-UHFFFAOYSA-N 323.824 2.603 0 50 DFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3cccc4ccnn34)C[C@H]2C1 2356150295 VUIHRSSEHGUXSM-FDCRZUCXSA-N 312.461 2.885 0 50 DFAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CNCc1ccncc1 222005978 ACVPPKHUYGPGNI-OKZBNKHCSA-N 316.445 2.541 0 50 DFAA O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC[C@H]1CO 133140184 CDBCBKQWSREAOF-ZDUSSCGKSA-N 316.788 2.999 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 246881731 IBUZEYMVPGQYLU-MVWJERBFSA-N 313.228 2.904 0 50 DFAA OCC[C@H]1CN(Cc2ccc(F)cc2)CCN1C1CCCC1 20166629 BWXOHCBHBPSQFD-SFHVURJKSA-N 306.425 2.637 0 50 DFAA CC(C)C1=NO[C@H](CNC(=O)c2ccccc2N2CCCC2)C1 65463182 TXNALAUQFPCOPP-AWEZNQCLSA-N 315.417 2.818 0 50 DFAA CC(=O)N(C)Cc1cc(C2=CCCN([C@@H]3C=CCCC3)C2)no1 65405859 JTZJISZPXGKMLK-MRXNPFEDSA-N 315.417 2.851 0 50 DFAA CCCc1n[nH]c2c1CN(C(=O)c1cccnc1SC)CC2 23506475 DZHXXKCOQDCBCW-UHFFFAOYSA-N 316.430 2.678 0 50 DFAA Cc1ccc(-c2ccc(S(N)(=O)=O)s2)c(-n2cccn2)c1 65503811 MXYCNKXUUIXFPF-UHFFFAOYSA-N 319.411 2.557 0 50 DFAA COCCn1ccc(-c2nc(-c3cc(C4CC4)ccn3)no2)n1 350187924 CEMCNTIYXMHPNJ-UHFFFAOYSA-N 311.345 2.519 0 50 DFAA CCCN1CCC(N2CCN(c3ccc(C)cc3)CC2)CC1 32511821 NHHIDCFUZAFYCN-UHFFFAOYSA-N 301.478 2.991 0 50 DFAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1 92734 WPBCXLCJWLNDPV-MRXNPFEDSA-N 308.337 2.594 0 50 DFAA biogenic N[C@@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)C(=O)O 402736 MWHVBFNZTDNYRK-HNNXBMFYSA-N 310.353 2.701 0 50 DFAA in-vitro CC(C)CN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 252504557 VKJWXDVTLBFWSH-CQSZACIVSA-N 304.438 2.527 0 50 DFAA CCc1noc(CN(CC)Cc2ccc3cccc(O)c3n2)n1 71278533 ZSSLJLGVBXYWJU-UHFFFAOYSA-N 312.373 2.908 0 50 DFAA COC[C@H](C)N1CCC(CO)(Cc2ccccc2Cl)CC1 11814478 CALPXTFPUPXIAK-AWEZNQCLSA-N 311.853 2.992 0 50 DFAA O[C@H](COc1ccc2c(c1)CCC2)Cn1cnc2ccccc21 37867298 OZCCXUVVMPVMIB-INIZCTEOSA-N 308.381 2.965 0 50 DFAA CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 35511522 WXLQBHBDMVGDRM-WCQYABFASA-N 323.393 2.596 0 50 DFAA C[C@@H](C(=O)NCc1ccc2sccc2c1)N1CCCC1=O 216284387 CTVMLRLHZMIRDL-NSHDSACASA-N 302.399 2.528 0 50 DFAA CC(C)N1CCC(C(=O)Nc2nccn2-c2ccccc2)CC1 331978227 XHKSNDQBJSILBZ-UHFFFAOYSA-N 312.417 2.931 0 50 DFAA CC[C@@H](C)n1ncc(NC(=O)c2cn3nccc3nc2C)c1C 451140556 ATPKNSDJIRSPCZ-SNVBAGLBSA-N 312.377 2.766 0 50 DFAA CCc1nc(CCNC(=O)[C@@H](C)Sc2ccc(C)cc2)no1 223788819 TVWFDWPLGORABC-GFCCVEGCSA-N 319.430 2.780 0 50 DFAA CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)s1 82096801 FDTDTSBMPWEVFE-LBPRGKRZSA-N 317.414 2.704 0 50 DFAA O=C(N[C@H]1CCOc2c(F)cccc21)c1ocnc1C1CC1 288789498 CGDDMRNRBRVEER-LBPRGKRZSA-N 302.305 2.945 0 50 DFAA CCC[C@@]1(CO)CCN(CC(=O)Nc2cccc(CC)c2)C1 288726064 GHFZWGJZZDUFKT-GOSISDBHSA-N 304.434 2.672 0 50 DFAA COc1cccc(SCC(=O)N(C)Cc2cc(C)no2)c1 220422074 DUWBRRNGTXRACG-UHFFFAOYSA-N 306.387 2.742 0 50 DFAA O=C(NC[C@@H]1C[C@H](F)CN1)Nc1cccc(OC2CCCC2)c1 97831206 OWVNDRFRRBZKEI-JSGCOSHPSA-N 321.396 2.830 0 50 DFAA Nc1ncccc1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95380116 ULMDCLAZVDCPOG-PKOBYXMFSA-N 322.456 2.760 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 95393215 MVSCHMLRFDSBCT-KGLIPLIRSA-N 304.777 2.882 0 50 DFAA O=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1nccs1)C2 95354962 QSWXWKRGWFVNER-KRWDZBQOSA-N 319.474 2.758 0 50 DFAA CC1(C)CC(CC(=O)N[C@H](CO)c2ccccc2)CC(C)(C)N1 97733055 AXUBJPQHLYFLSP-MRXNPFEDSA-N 318.461 2.783 0 50 DFAA O=C(/C=C/c1ccco1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 142238094 ZPZBPPXMSAEGRM-SOFGYWHQSA-N 307.309 2.682 0 50 DFAA COC1CCN(c2nncc(-c3cccc(Cl)c3)n2)CC1 23153354 WVMBUQCSXSRGOH-UHFFFAOYSA-N 304.781 2.807 0 50 DFAA COCc1cc(CN(C)C[C@@H]2CCOc3ccccc3C2)n[nH]1 95529353 LSFVNBQBPOULCT-CQSZACIVSA-N 315.417 2.629 0 50 DFAA CCc1nc(N)nc(N2CCCC3(CCN(C)CC3)CC2)c1C 95376064 POXWJYHKYSZXJI-UHFFFAOYSA-N 317.481 2.632 0 50 DFAA Cc1cccc(-c2cccc(C(=O)NCC(=O)N(C)C)c2)c1C 299773074 COXMNNFZTIALKG-UHFFFAOYSA-N 310.397 2.788 0 50 DFAA COc1cccc2ncn([C@@H](C)c3nc(C)cs3)c(=O)c12 824804910 UKHQKMLDMMNZEG-JTQLQIEISA-N 301.371 2.779 0 50 DFAA Cc1nc(C)c(-c2ccc(C(=O)N[C@@H](C)Cn3cccn3)cc2)[nH]1 584884239 JZBAGMBVOAEKKX-LBPRGKRZSA-N 323.400 2.709 0 50 DFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@H]1C=C[C@H]2C1 100179859 FNEUYRSNLVHTKX-VDUILEQBSA-N 318.170 2.761 0 50 DFAA CC(=O)[C@H](NC(=O)CN1CCCc2c(C)cc(C)cc21)C(C)C 170620655 SFFNJSRJIAXCAO-LJQANCHMSA-N 316.445 2.786 0 50 DFAA C[C@H]1CCCN(S(=O)(=O)NCC[C@H]2CCC[C@@H](C)C2)C1 170627427 DAQBTIWRILAGPG-QLFBSQMISA-N 302.484 2.769 0 50 DFAA CCSCC[C@H](C)N(C)C(=O)c1c(C)nn2cccnc12 170608840 DJOLIZWESLQPOF-NSHDSACASA-N 306.435 2.641 0 50 DFAA CCC(C)(C)NC(=O)[C@H](C)n1cc(-c2cncc(Cl)c2)nn1 640910193 SINZEAZEABPCPI-JTQLQIEISA-N 321.812 2.859 0 50 DFAA CCc1nc(C2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n[nH]1 190718562 PBEZFQMMUAMJOJ-LLVKDONJSA-N 318.425 2.814 0 50 DFAA O=C(O)[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)O1 191155079 ISVZGKOBLKFWBJ-UWVGGRQHSA-N 304.129 2.564 0 50 DFAA CC1(C)COc2c(C(=O)N3CC(O)(c4ccccc4)C3)cccc21 585083389 FAICZPCKZWEOPA-UHFFFAOYSA-N 323.392 2.700 0 50 DFAA C[C@@H](C(=O)N(Cc1ccsc1)c1cccnc1)n1cncn1 193508678 LHFLKOAPWSJXGT-LBPRGKRZSA-N 313.386 2.529 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1nc2cccnc2s1 193999391 KZZOAYFWKLELRY-QMMMGPOBSA-N 316.386 2.830 0 50 DFAA O=C(O)c1ccc(CN2CCO[C@H](c3ccco3)C2)c(F)c1 652436660 UFLAFTCDCGUTPD-HNNXBMFYSA-N 305.305 2.690 0 50 DFAA C[C@@H]1[C@H](O)CCN1C(=O)c1ccc(-n2cnc3ccccc32)cc1 654163183 JMESMOXZXBUKSJ-FZKQIMNGSA-N 321.380 2.621 0 50 DFAA Cn1ncc(C2CC2)c1CNC(=O)N1CCC[C@H]1C1CCC1 661808942 MHCPUUKGYMLCJI-HNNXBMFYSA-N 302.422 2.772 0 50 DFAA CSc1nc(N)cc(NCCCn2ccnc2C(C)C)n1 1529189774 YGPBLYOQMIEXQP-UHFFFAOYSA-N 306.439 2.603 0 50 DFAA CSCC(=O)N1CCC[C@](CO)(CCCc2ccccc2)C1 12725810 RPOHVHHJYZSGKO-GOSISDBHSA-N 321.486 2.973 0 50 DFAA CNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 16015863 NBTOXAMONHJMEJ-CYBMUJFWSA-N 312.369 2.761 0 50 DFAA CC(C)(C)C(=O)N[C@@H](N1CCCC1)C(Cl)(Cl)Cl 19315791 ABNGIHMHYKLKFC-QMMMGPOBSA-N 301.645 2.941 0 50 DFAA CC[C@@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 19499934 WXNVKENMABASOZ-CQSZACIVSA-N 322.449 2.629 0 50 DFAA CC(C)c1cc(C(=O)N[C@H]2CCN(C)C2=O)c(O)c(C(C)C)c1 152597602 LXKRBAWDBJLLMU-HNNXBMFYSA-N 318.417 2.600 0 50 DFAA Cn1nc(-c2ccccc2)c2c1CCN(C[C@H]1CCOC1)CC2 1857698510 VNEIUQVEOVHFKD-OAHLLOKOSA-N 311.429 2.524 0 50 DFAA C[C@H]1C[C@@H](C(=O)O)CN(c2cncc(-c3ccc(F)cc3)n2)C1 1857529248 BFPHEVKBOAFTKM-WCQYABFASA-N 315.348 2.830 0 50 DFAA Cc1ccc2ncnc(N(C)Cc3n[nH]c4c3CCCCC4)c2n1 1857673715 SKCXKMMYABFADD-UHFFFAOYSA-N 322.416 2.962 0 50 DFAA c1ccc(-c2n[nH]c3c2CCN(CC[C@H]2CCOC2)CC3)cc1 1857713709 DZCJJNJXCQFSQI-HNNXBMFYSA-N 311.429 2.904 0 50 DFAA CCCC[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H](C(C)C)O1 1857720318 ORJMROCEFALZLG-IAGOWNOFSA-N 319.449 2.851 0 50 DFAA COc1ccccc1CN(CCO)C(=O)c1[nH]ccc1C1CC1 457679929 UVKCKMGHQAONMZ-UHFFFAOYSA-N 314.385 2.535 0 50 DFAA Cc1cc2c(cc1C)N[C@H](CC(=O)NC1CCCCC1)C(=O)N2 8741845 DJTRCBMKSKXBFP-MRXNPFEDSA-N 315.417 2.875 0 50 DFAA Cn1c(C(=O)N2CCC[C@H](C(=O)O)C2)c(Cl)c2ccccc21 237712700 XSHPTZQJSFTOII-JTQLQIEISA-N 320.776 2.769 0 50 DFAA Cc1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cn1 237929607 NDEPHTKGMUAVNR-UHFFFAOYSA-N 324.380 2.649 0 50 DFAA CC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)c1nc2ccccc2[nH]1 253426017 GSJJPWKANNJBSN-CYBMUJFWSA-N 311.389 2.713 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cnn(-c3ccccc3F)c2)CCO1 154061940 MRELQIQORNPDGC-CYBMUJFWSA-N 317.364 2.699 0 50 DFAA Clc1cnn([C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)c1 365610858 GCUDBXUYFXJYFW-GFCCVEGCSA-N 317.780 2.967 0 50 DFAA O=C(O)CCc1ccc(NC(=O)c2cc(C3CC3)on2)cc1 262110811 JROJFZRNLWUVKN-UHFFFAOYSA-N 300.314 2.822 0 50 DFAA CCOCC[C@H](O)Cn1nnc(-c2ccc(Cl)cc2)c1C 585138067 LWFVSTAJMLZNAY-AWEZNQCLSA-N 309.797 2.694 0 50 DFAA CN1CCN(C(=O)C(C)(C)C)c2cc(Br)cnc21 35270618 BBQDRJOVGXTXHL-UHFFFAOYSA-N 312.211 2.673 0 50 DFAA in-vitro O=C(O)c1cccc(CN2C[C@H]3C[C@@H](O)CC[C@H]3C2)c1Cl 398906995 NIHGIJLVENAHSI-UHTWSYAYSA-N 309.793 2.631 0 50 DFAA CC1=NO[C@](C)(C(=O)Nc2ccccc2-c2noc(C)n2)C1 902601787 SJUXHWGRCJQJOX-HNNXBMFYSA-N 300.318 2.538 0 50 DFAA CC(C)c1nn(C)cc1NC(=O)N[C@H](C)Cc1cccnc1 931246631 IVXPEMVEVJUAFY-GFCCVEGCSA-N 301.394 2.691 0 50 DFAA c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 20522587 ANUSYFKYDDTCOH-UHFFFAOYSA-N 306.413 2.652 0 50 DFAA CCc1noc(C2CCC(C(=O)O)(n3cc(Cl)cn3)CC2)n1 1875280781 WJPKYVNZGIDRBN-UHFFFAOYSA-N 324.768 2.620 0 50 DFAA C[C@@H](NC(=O)CCc1cccc(OC(F)F)c1)c1ncccn1 1875273686 BRSCJXONUKOTAN-LLVKDONJSA-N 321.327 2.888 0 50 DFAA Cc1nc(C(=O)NCCc2cnn(-c3ccccc3)c2)cs1 1875254677 BZZNALWLZVPALB-UHFFFAOYSA-N 312.398 2.610 0 50 DFAA CC(C)(C)C[C@@H](CO)N(C=O)Cc1cccc(-n2cccn2)c1 1875325613 QPTGTJJJIHMMHJ-KRWDZBQOSA-N 315.417 2.628 0 50 DFAA O=C(c1ccccc1OC[C@@H]1C[N@]1C1CCC1)N1CCCCC1 1875379735 VTJYZHUGWXLPMZ-HRAATJIYSA-N 314.429 2.928 0 50 DFAA Fc1cccnc1-n1cc(NCc2cccc3[nH]ncc23)cn1 1875338699 ICNZKPPVCOJUDD-UHFFFAOYSA-N 308.320 2.895 0 50 DFAA Cc1cnc(Nc2c(-c3ccccc3)ncn2C)nc1N(C)C 2100534512 LUXCRAHBVWQGTM-UHFFFAOYSA-N 308.389 2.995 0 50 DFAA Cc1cc(C)cc(C2(C(=O)N[C@H](C)[C@@H](C)C(=O)O)CCC2)c1 2325750385 VNZKLIPEFMOWOJ-ZIAGYGMSSA-N 303.402 2.951 0 50 DFAA CN(C)Cc1ccc(C(=O)Nc2cccc3ccc(O)nc23)cn1 2325858991 JJDYBQDDCNOGBX-UHFFFAOYSA-N 322.368 2.649 0 50 DFAA CN(C)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 151845257 RUDWFVUYMOCRSD-UHFFFAOYSA-N 315.348 2.849 0 50 DFAA COc1ccc(-n2nc3c4c([nH]cc-3c2=O)CCCCC4)cc1 100002030 XRUUVUYJUULCBQ-UHFFFAOYSA-N 309.369 2.943 0 50 DFAA in-vitro CCCN1Cc2nnc(-c3ccccc3Cl)n2[C@H](C)C1=O 2356143573 NKPWVOFCYVGVSC-SNVBAGLBSA-N 304.781 2.912 0 50 DFAA CC(C)(C)N1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O 6729302 KVBUTYRAJACPKG-AWEZNQCLSA-N 300.402 2.761 0 50 DFAA O=C(Nc1c(O)c2ccccc2oc1=O)NC1CCCCC1 6745031 BDVBGHMYTKZDGN-UHFFFAOYSA-N 302.330 2.953 0 50 DFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)CC2 221788225 MIFZLCUHVKEXME-LVQVYYBASA-N 309.450 2.591 0 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YPTFHLJNWSJXKG-UHFFFAOYSA-N 310.346 2.930 0 50 DFAA in-man CC(C)Cn1cncc1CN1CC[C@@]2(CCCO2)CCC1=O 72141778 DMHSFWXRJOLDHM-QGZVFWFLSA-N 305.422 2.601 0 50 DFAA CCOCCN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 253428258 CRBZGRIKKHXMQU-HUUCEWRRSA-N 314.470 2.990 0 50 DFAA Cc1cccc(NC2CCN(C(=O)c3cccc(C)n3)CC2)n1 363225304 JGPDLVNRNDMSGS-UHFFFAOYSA-N 310.401 2.810 0 50 DFAA Cc1ccccc1CSCCc1nc2c([nH]1)CCCNC2=O 216161443 GMJYYKABOBCLRR-UHFFFAOYSA-N 315.442 2.870 0 50 DFAA CC(C)N[C@@H]1CCCN(C(=O)c2ncoc2-c2ccccc2)C1 601551042 FXFYFZYIQLNGSZ-OAHLLOKOSA-N 313.401 2.944 0 50 DFAA CNC[C@@H]1CCCN(C(=O)CCOc2cc(C)ccc2C)C1 237169544 WUIRPDBFEUYEJW-INIZCTEOSA-N 304.434 2.530 0 50 DFAA CCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@H]2CC)n1 241371335 MMTFCZYKGUZXBA-MJBXVCDLSA-N 322.453 2.566 0 50 DFAA CNC(=O)COc1c(Cl)ccc(Cl)c1Br 241338580 MBZSVJWYUSIFLC-UHFFFAOYSA-N 312.978 2.881 0 50 DFAA Cc1cc(N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c2cc3c(cc2n1)OCO3 71760671 USJPYMVGZWDCLI-GANFFNEQSA-N 324.380 2.886 0 50 DFAA 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CC1=CC2(CCN(C(=O)CCc3c(C)noc3C)CC2)OCC1 1704334448 IXDAYPQJAVXHDV-UHFFFAOYSA-N 318.417 2.952 0 50 DFAA Oc1ccccc1CCc1nnc2n1-c1ccc(F)cc1CC2 1772806043 XVYDFUAIGLOCAE-UHFFFAOYSA-N 309.344 2.996 0 50 DFAA OCc1ccc(CN[C@H]2CCCN(CC3CCCCC3)C2)o1 19839456 OMQUPODZOFGJAJ-INIZCTEOSA-N 306.450 2.906 0 50 DFAA c1cn(CC[C@@H]2CCOC2)c(-c2ccc3c(c2)OCCO3)n1 1857724717 OLDFOKBMIYJYCS-CYBMUJFWSA-N 300.358 2.748 0 50 DFAA CCc1ccc(CCC(=O)N[C@H](C(=O)N(C)C)[C@@H](C)CC)cc1 225510802 RJZLKNNHGOFLMW-KSSFIOAISA-N 318.461 2.801 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 237945171 HXZZCCMBNRGWCO-VHSXEESVSA-N 313.275 2.542 0 50 DFAA CC(C)[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CO)c1ccccn1 245289787 FCMMWDRTLQIKDN-LZWOXQAQSA-N 305.422 2.629 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cc(O)nc3ccccc23)CCO1 153372086 PPCQBCWXAANVLO-LLVKDONJSA-N 300.358 2.628 0 50 DFAA CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@H](CC(N)=O)C1 377416844 CPONJGHMWTWFMO-CYBMUJFWSA-N 322.836 2.633 0 50 DFAA Cc1nc([C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H](C)O)cs1 585130042 GAENXGVSHDHUFM-VFZGTOFNSA-N 324.833 2.886 0 50 DFAA CN1CCCC[C@H](c2nc(-c3ccc4c(c3)CCC4)no2)C1=O 924073558 AESLVXYJFFQCBU-OAHLLOKOSA-N 311.385 2.951 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCn2ccnc21 931525410 DGSAGZFQJDELQM-NSHDSACASA-N 304.781 2.692 0 50 DFAA COC(=O)C(C)(C)[C@H](N[C@H](C)[C@@H]1CCOC1)c1ccccc1 952882848 KVPTXSDREXVIHS-FVQBIDKESA-N 305.418 2.942 0 50 DFAA C[C@@]1(c2ccc(NC(=O)c3cc(C(=O)O)n[nH]3)cc2)CC1(F)F 1875292741 RIIOGNCWGKBTDX-AWEZNQCLSA-N 321.283 2.657 0 50 DFAA C[C@H](NC(=O)C1CCNCC1)c1ccc2nc(C3CC3)[nH]c2c1 1875276556 BBFKBLUOUOMWFB-NSHDSACASA-N 312.417 2.617 0 50 DFAA COC(=O)N1CC(C)(NCc2csc(-c3cccs3)n2)C1 894542180 GWXGHZOLCGRVMR-UHFFFAOYSA-N 323.443 2.802 0 50 DFAA COc1ccc(CN[C@H]2c3ccccc3OC[C@H]2CO)c(C)c1 897947655 BAIHRXRQVIQDEJ-DNVCBOLYSA-N 313.397 2.835 0 50 DFAA O=S(=O)(C[C@H]1CC12CC2)NC1CCC2(CC1)CC2(F)F 2325776352 CDFSZFJMFVFGHR-XSRFYTQQSA-N 305.390 2.674 0 50 DFAA Cc1ncc(CCNC(=O)c2ccc(Cl)c3ncccc23)[nH]1 2325856206 FVVQIBLWXUUGQG-UHFFFAOYSA-N 314.776 2.892 0 50 DFAA COc1cccnc1CC(=O)Nc1ccc2n[nH]cc2c1Cl 2325861676 XJVNZHXQGXKHHX-UHFFFAOYSA-N 316.748 2.801 0 50 DFAA Cc1ccc(F)c(O)c1C(=O)NOCCOc1ccccc1 2325866256 FSABXMWLRKWBSR-UHFFFAOYSA-N 305.305 2.580 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 31712 OKEWIRFAAYZFIX-CYBMUJFWSA-N 309.793 2.684 0 50 DFAA COC(=O)c1ccccc1NC(=O)Nc1nc(C)cc(C)n1 609979 AZMMRXZPZQNWBG-UHFFFAOYSA-N 300.318 2.524 0 50 DFAA COc1ccccc1C(=O)Nc1ccccc1N1CCOCC1 792168 FQCRNLQTWIGJPF-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA CC(C)Oc1ccc(OCCCN2C(=O)NC(C)(C)C2=O)cc1 2862484 FSDUSGSXJAPKTA-UHFFFAOYSA-N 320.389 2.573 0 50 DFAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)cc1F 2927552 RPIKZXDAVKOVEP-UHFFFAOYSA-N 304.252 2.511 0 50 DFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NCCc2ccccc2)C1 4651990 JSSJOPLRIITHQE-JKSUJKDBSA-N 301.386 2.793 0 50 DFAA COc1ccc(-n2nc(C(=O)N(C)C)nc2-c2ccccc2)cc1 4999341 BVFCUAXCZRAWQU-UHFFFAOYSA-N 322.368 2.645 0 50 DFAA C[C@@H](NC(=O)Cc1c(O)c2ccccc2[nH]c1=O)c1ccccc1 6283191 ZGEYXIOZKBQKSQ-GFCCVEGCSA-N 322.364 2.654 0 50 DFAA COc1ccc(Br)cc1CN[C@@H]1CCCOC1 109544504 BSBWSKXSBDWGSU-GFCCVEGCSA-N 300.196 2.726 0 50 DFAA O=C(Nc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1 110813578 VZYFYMKJRCJHPN-UHFFFAOYSA-N 324.365 2.782 0 50 DFAA CCOc1ncc(C(=O)N2CCC(COC)CC2)cc1Cl 112311678 UVRVKSFPPQYOCV-UHFFFAOYSA-N 312.797 2.632 0 50 DFAA CC(C)c1nc(CS(C)(=O)=O)n(-c2ccc(Cl)cc2)n1 65456428 NXQBXQCCTBMIJZ-UHFFFAOYSA-N 313.810 2.589 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1ccc(S(C)(=O)=O)cc1 67649127 QKCPBJZSPXDSGX-CYBMUJFWSA-N 321.446 2.623 0 50 DFAA COc1cccc(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)c1 21803733 VFDJBYGRAZNZDR-GFCCVEGCSA-N 310.353 2.930 0 50 DFAA CCC[C@@]1(CO)CCN(C(=O)[C@@H]2CCc3cccc(OC)c32)C1 356139974 NMWILNUKUKQUGS-DNVCBOLYSA-N 317.429 2.736 0 50 DFAA O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCC[C@H]1C(=O)O 31979649 LEKWHFQBBVCBCA-JGVFFNPUSA-N 301.264 2.933 0 50 DFAA Cc1nc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)oc1C 328603726 GZEZOSGEJGDHTE-QGZVFWFLSA-N 314.433 2.831 0 50 DFAA CC(C)(CN1CCOc2ccc(CO)cc2C1)N1CCCCC1 215163441 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C[C@H](O)c1cccc(N2CCN(Cc3cccc(F)c3)CC2)n1 95506670 NRAPUGNPFLZRLX-AWEZNQCLSA-N 315.392 2.596 0 50 DFAA COCC[C@@]1(C(=O)O)CCCN(C/C=C/c2ccccc2)C1 91574176 RZKVYOCKCXTBBR-YXOJNZSOSA-N 303.402 2.903 0 50 DFAA CCc1cc(CN(C)C(=O)[C@H](c2ccc(F)cc2)N(C)C)on1 95353276 VKJUSEGRYONAPQ-INIZCTEOSA-N 319.380 2.637 0 50 DFAA Cc1cc2n(n1)CCCN(C(=O)C1(c3ccc(F)cc3)CC1)C2 91694986 KYABDUXTZRAYGX-UHFFFAOYSA-N 313.376 2.795 0 50 DFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)CCc1ccncc1 97785487 NLDCMGQTGWIHDI-GOSISDBHSA-N 311.429 2.776 0 50 DFAA Cc1ccccc1CN1CC[C@@H](CNc2nc(N)ncc2C)C1 91327029 BERVRFLWSBFJBQ-HNNXBMFYSA-N 311.433 2.610 0 50 DFAA CCc1nc(C)c(CNC(=O)C2CCN(C(C)C)CC2)s1 95382870 UBIYPABVWCWOPZ-UHFFFAOYSA-N 309.479 2.751 0 50 DFAA CSCc1noc(CN2C[C@H](Cc3ccccc3)CC2=O)n1 95528303 PKSPKJJSUSPGRY-CYBMUJFWSA-N 317.414 2.524 0 50 DFAA COc1cccc2c1OC[C@H](CNC(=O)CCC(F)(F)F)C2 95378848 GHPYGEVLMVIEEA-JTQLQIEISA-N 317.307 2.705 0 50 DFAA O=C(Nc1ccccc1OC(F)(F)F)N1CCCC[C@H]1CO 95501101 KUEYUVPRDDADPG-JTQLQIEISA-N 318.295 2.964 0 50 DFAA Cc1nn(C)c2nc(N3CCO[C@@H](c4ccccc4)C3)sc12 95519660 BWMYVFMCRJVPAG-CYBMUJFWSA-N 314.414 2.916 0 50 DFAA Cc1ccccc1N1CC[C@@H](CNC(=O)Cc2ccccn2)C1 244673602 HSFOQQAGDNDLIH-INIZCTEOSA-N 309.413 2.575 0 50 DFAA O=C(Cc1ccncc1)N1CCC[C@H]1C[C@H](O)c1cccs1 182085048 ZMOTYACSEOEYRO-GJZGRUSLSA-N 316.426 2.800 0 50 DFAA O=C(Nc1nccs1)N1CCO[C@@H](Cc2ccccc2)C1 183095588 ASCLILFJGDTJKS-ZDUSSCGKSA-N 303.387 2.619 0 50 DFAA COCCOCc1ccc(NC(=O)c2ncccc2F)cc1 629195401 OGUPIXICQTVMBW-UHFFFAOYSA-N 304.321 2.636 0 50 DFAA COc1cccc(C(=O)N[C@H](C)Cc2ncccc2C)c1F 584902321 FPSHTWSGMLXVJA-GFCCVEGCSA-N 302.349 2.899 0 50 DFAA CCN(Cc1ccc(C)o1)C(=O)NCc1cnc(SC)n1C 584890415 VBSKKVMRMNQMLI-UHFFFAOYSA-N 322.434 2.775 0 50 DFAA Cc1nc(CN2CCC[C@H](c3cc(O)ncn3)C2)sc1C 670449192 FKNNWSADYDNJHF-LBPRGKRZSA-N 304.419 2.635 0 50 DFAA Cc1cc(C)c2cc(CNCC(C)(C)S(C)(=O)=O)[nH]c2c1 170599568 QNELPVUTOGTAGA-UHFFFAOYSA-N 308.447 2.698 0 50 DFAA CC(C)C[C@@]1(c2nc(-c3ccccc3F)no2)CCNC1=O 632016811 DTUKXKKNJZKJAJ-INIZCTEOSA-N 303.337 2.680 0 50 DFAA C[C@]1(C(=O)NCc2nc3cccnc3[nH]2)CCCc2ccccc21 190229496 UDPLOPOSQMLRDA-IBGZPJMESA-N 320.396 2.868 0 50 DFAA Cc1ccn(C)c1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 190396235 SDBQHJLQXOMMQL-DOMZBBRYSA-N 320.339 2.560 0 50 DFAA C[C@@H](C(=O)Nc1nc2cc(Br)cnc2[nH]1)C1CC1 585087748 MXGJBWKBVYJEOV-ZCFIWIBFSA-N 309.167 2.705 0 50 DFAA O=C(NC1(CO)CCSCC1)c1ccc(-c2ccco2)s1 655248139 HCVFCENBNQDZRC-UHFFFAOYSA-N 323.439 2.996 0 50 DFAA Cc1nc(CNC(=O)O[C@@H](C)CC(C)C)sc1CC(=O)O 1615001952 OQQRMJAQWMBPJP-VIFPVBQESA-N 314.407 2.739 0 50 DFAA COc1ccc(CN[C@@H]2c3ccccc3OC[C@@H]2CO)c(C)c1 1615206075 BAIHRXRQVIQDEJ-KXBFYZLASA-N 313.397 2.835 0 50 DFAA Nc1nc(NC(=O)/C=C/c2ccccc2)nn1-c1ccccc1 310410 DZEVYBQGKVRDEG-VAWYXSNFSA-N 305.341 2.501 0 50 DFAA CO[C@H](C)c1nnc(NC(=O)c2cnc3c(c2)CCCC3)s1 1529168845 NWZSUGOYWBFNMS-SECBINFHSA-N 318.402 2.772 0 50 DFAA CC(C)=CCCN1CCCN(C(=O)c2cnccc2C)CC1 1529196641 COOUTMBZKMIKOQ-UHFFFAOYSA-N 301.434 2.894 0 50 DFAA O[C@@H](COc1ccccc1Br)CN1CCCCC1 319164 KLBCAIPPVSRHBK-GFCCVEGCSA-N 314.223 2.675 0 50 DFAA in-vitro CC(C)C[C@@H]1CN(C(=O)C(=O)c2ccccc2)CC[C@]1(C)O 211266043 PLUUYKMMCWWIDK-QAPCUYQASA-N 303.402 2.515 0 50 DFAA CCC1=NO[C@@H](CN2CCC(Cc3ccc(O)nc3)CC2)C1 1772816578 WBGOOTHULLPOIC-MRXNPFEDSA-N 303.406 2.597 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2O)cc1OC 12042980 FACIHZBIVYVPLK-UHFFFAOYSA-N 323.370 2.519 0 50 DFAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)CC2CCCC2)C1 169751696 MTQQWURXWMGDMN-OAHLLOKOSA-N 305.422 2.562 0 50 DFAA Cc1ccoc1CN(C)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857529778 QMELGFQYRVNPTH-MNOVXSKESA-N 303.362 2.606 0 50 DFAA c1cc(-c2nc(C3CCCC3)nn2[C@@H]2CCOC2)c2[nH]nnc2c1 1857679790 VOWWHQQBCLSSOG-GFCCVEGCSA-N 324.388 2.835 0 50 DFAA CCN=c1[nH]c(C)c(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)s1 1857679955 BWYKBMJPYVQLJV-XQQFMLRXSA-N 307.463 2.861 0 50 DFAA COc1ccc2c(c1)OC[C@H](Cn1ccnc1-c1ncc[nH]1)C2 1857706302 POEZDTZGEUSKAO-LBPRGKRZSA-N 310.357 2.533 0 50 DFAA OC[C@H]1[C@H]2CN(Cc3cc4ccccc4s3)C[C@]23CC[C@H]1O3 1857732791 HEEYPZBCYXDZBV-BVIKNXMNSA-N 315.438 2.873 0 50 DFAA CCCC[C@@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@H](C2CC2)O1 1875249870 HCHVHYMFRJHQKX-IAGOWNOFSA-N 319.449 2.929 0 50 DFAA Cn1ccc(C(=O)NCCCCc2ccc(Cl)s2)cc1=O 225463979 WISDGAQHYAEKKW-UHFFFAOYSA-N 324.833 2.853 0 50 DFAA O=C(c1ccc2nn[nH]c2n1)N1CCCC2(CCCCC2)CC1 416212575 DIODOHROKJCSJC-UHFFFAOYSA-N 313.405 2.930 0 50 DFAA NC[C@@H]1CC[C@H](NC(=O)N2CCc3cc(Cl)ccc3C2)C1 332115074 CPJJETMPCVGDON-ABAIWWIYSA-N 307.825 2.535 0 50 DFAA CC(=O)N1C[C@H](CCC(=O)N(C)c2cccnc2)c2ccccc21 241590503 PFJOQVDYOJVUBY-HNNXBMFYSA-N 323.396 2.975 0 50 DFAA COc1c(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)nn1C 134119764 VWYRZQPDPWOEIX-GHMZBOCLSA-N 305.344 2.948 0 50 DFAA O=S1(=O)CC[C@H](CN2CCC[C@H]2c2ccccc2Cl)C1 253432478 KNSPGYUFKOUQSK-DOMZBBRYSA-N 313.850 2.912 0 50 DFAA COCC(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1 585131541 YQQGPNVNKIVNTO-UHFFFAOYSA-N 310.463 2.868 0 50 DFAA Cn1ccc2cccc(Cc3noc(CC4(O)CCCC4)n3)c21 904168994 AHNBIRNMTVIWJB-UHFFFAOYSA-N 311.385 3.000 0 50 DFAA O=C1C[C@]2(NC(=O)Nc3ccc4occc4c3)CCCC[C@@H]2N1 932033163 SJUKNIJDJBENCS-WMLDXEAASA-N 313.357 2.756 0 50 DFAA O=C(c1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1)c1cccnc1 1875382154 SJSMQBHCQWQHEU-UWJYYQICSA-N 308.381 2.786 0 50 DFAA COC[C@@H](O)CN[C@@H](c1ccccc1)c1cccc2[nH]ccc12 888099055 ULHRLVAMAHXDJN-KXBFYZLASA-N 310.397 2.854 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc(C)c2Cl)C1 888077849 YYOLLXOPAAGPJK-DGCLKSJQSA-N 319.792 2.974 0 50 DFAA CCc1nc(CNC(=O)N[C@H]2CCOC23CCCCC3)co1 895219866 DTZQFZOMSDCSDC-ZDUSSCGKSA-N 307.394 2.528 0 50 DFAA Cn1cc(Cc2nc([C@@H]3CCOC4(CCCC4)C3)no2)cn1 897189197 INVAKSYOLPBWRC-CYBMUJFWSA-N 302.378 2.601 0 50 DFAA O=C(c1cc(Br)co1)N1CCC[C@H](CCO)CC1 331663137 QMZJNYDOFLXHJS-JTQLQIEISA-N 316.195 2.667 0 50 DFAA O=C(c1cc(C2CC2)no1)N1CC2(COc3ccccc3C2)C1 2100555226 NDPSVIFGICBJER-UHFFFAOYSA-N 310.353 2.629 0 50 DFAA O=C(NCc1cnc(O)[nH]1)C12CCC(C(F)(F)F)(CC1)CC2 2325757382 IDTQKBAJGYCWQY-UHFFFAOYSA-N 317.311 2.634 0 50 DFAA COc1ccc2cccc(NCc3ccn(C4CNC4)n3)c2c1 2325813193 VFBJUWZJIQXWEC-UHFFFAOYSA-N 308.385 2.801 0 50 DFAA CC1(C)C[C@H](C(=O)COc2ccc3ccc(=O)oc3c2)CCO1 46540 VEXAFSVXTJKJQV-CYBMUJFWSA-N 316.353 2.946 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1c(F)cccc1Cl 110027 JPQUMIKONAGHIJ-SECBINFHSA-N 311.740 2.920 0 50 DFAA CC(=O)c1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 176062 GAIVRPZAJDBNSH-HNNXBMFYSA-N 310.353 2.679 0 50 DFAA CCCOc1cccc(C(=O)NC(=S)Nc2ccccn2)c1 2818059 QUJHXHMDQDQNCB-UHFFFAOYSA-N 315.398 2.997 0 50 DFAA CCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1 2881031 MHCSCCGAWSBJDT-UHFFFAOYSA-N 312.325 2.986 0 50 DFAA CCOC(=O)C1CCN(CCCOc2ccc(F)cc2)CC1 6703748 DMIMKCYRPTWQNC-UHFFFAOYSA-N 309.381 2.870 0 50 DFAA CSc1cccc(NC(=O)CNC(=O)c2ccccc2)c1 8274816 ABLMEQAKBPRKCJ-UHFFFAOYSA-N 300.383 2.777 0 50 DFAA CN(Cc1ncc[nH]1)Cc1nc(-c2ccc(Cl)cc2)no1 65375277 ADULKAMCWYMUBT-UHFFFAOYSA-N 303.753 2.745 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(C2CC2)s1 248148810 SRIJKHINXDHQQS-QWHCGFSZSA-N 305.447 2.719 0 50 DFAA Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c1 28290955 PZGBXOXTPKFJQF-IBGZPJMESA-N 324.424 2.798 0 50 DFAA CCCO[C@H](C)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67868248 OIICXBCQKBFMKL-CYBMUJFWSA-N 311.385 2.801 0 50 DFAA Cc1nc(N)sc1CC(=O)Nc1ccnn1[C@H](C)C(C)C 65527386 FEZFMTIEHBSWDG-SNVBAGLBSA-N 307.423 2.628 0 50 DFAA O=C(NC[C@H](O)c1ccccc1)c1ccc(Br)cc1 191830 YEDYXMUOPFFPBD-AWEZNQCLSA-N 320.186 2.913 0 50 DFAA O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1C[C@@H]2CCC[C@H](C1)C2O 252487208 UPCNNKMGZSMZQR-NLZYTJHWSA-N 303.377 2.549 0 50 DFAA C[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(-n2cncn2)cc1Cl 360037703 LACHFVDAAMHISL-IUIKQTSFSA-N 320.824 2.875 0 50 DFAA CC[C@@H](C)CS(=O)(=O)N1Cc2ccc(O)cc2C2(CC2)C1 360413687 JSIPKHHECWSJKR-GFCCVEGCSA-N 309.431 2.615 0 50 DFAA Cc1ccc2ncnc(N3CCC([C@@H](O)c4ncc[nH]4)CC3)c2c1 365056983 TUBITGKRSYJIJN-MRXNPFEDSA-N 323.400 2.611 0 50 DFAA O=S(=O)(C1CC1)N1CCCC[C@H]1CCc1ccc(O)cc1 72141974 RXCKRVCNPCQSGT-AWEZNQCLSA-N 309.431 2.672 0 50 DFAA COCc1nn(C)cc1C(=O)N(C)Cc1cc2ccccc2o1 450027323 NYWPCBGOPXJHCB-UHFFFAOYSA-N 313.357 2.585 0 50 DFAA COc1cccc(CN2CCC[C@H](c3nnc4ccccn34)C2)n1 172557908 LTJOERFIWLMWKJ-AWEZNQCLSA-N 323.400 2.513 0 50 DFAA O=C1CC[C@H](C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)n2cccc21 333260170 AWSXUSJYKRMVEJ-SKWUIDRYSA-N 320.392 2.850 0 50 DFAA CCN(CC1CC1)C(=O)C1CCN(C(=O)c2ccccc2)CC1 173022800 PZMUAZASMCUHDY-UHFFFAOYSA-N 314.429 2.797 0 50 DFAA COc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1F 237440728 LRBFNZIHHMDWDW-BPNCWPANSA-N 321.348 2.692 0 50 DFAA O=C(NCc1ccc(CO)c(F)c1)N1C[C@H]2CCCC[C@H]2C1 177473323 FTTNSCJNRMCNKX-OKILXGFUSA-N 306.381 2.650 0 50 DFAA Cc1ccc(-n2cccn2)cc1NC(=O)NCCc1ccccn1 241439886 NNDBWXPEJBHIJM-UHFFFAOYSA-N 321.384 2.940 0 50 DFAA O=C(c1nccc2ccccc12)N1CC[C@@](O)(c2ccccc2)C1 426662274 PMKDNTFZDNPQCJ-FQEVSTJZSA-N 318.376 2.969 0 50 DFAA NC(=O)c1cccc2cn(-c3ccc([C@H]4CCCNC4)cc3)nc12 49087983 PCHKPVIQAHNQLW-AWEZNQCLSA-N 320.396 2.591 0 50 DFAA investigational COc1ccc(CCc2nc3c([nH]2)CC(C)(C)CNC3=O)cc1 95375549 RREZTMRPKLMRFX-UHFFFAOYSA-N 313.401 2.516 0 50 DFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCCC[C@@H]3CN)c2c1 91586074 LQOCMKCUZLPSAF-OAHLLOKOSA-N 313.445 2.975 0 50 DFAA C[C@@]1(c2ccccc2)CCC(=O)N(Cc2nnc3n2CCCC3)C1 91665333 IQVBUVZIWJTKJW-LJQANCHMSA-N 324.428 2.695 0 50 DFAA Cc1nc(N[C@@H](C)c2cn3ncsc3n2)c2cccnc2n1 95370118 XFWQKEALCADNCH-QMMMGPOBSA-N 311.374 2.611 0 50 DFAA CN(C)c1nsc(N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)n1 244691989 JMPBRUUZHKWNKQ-NGZCFLSTSA-N 310.448 2.590 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cccc(N(C)C)n1 180362934 POYMYRGVJKSMFA-JTQLQIEISA-N 301.394 2.620 0 50 DFAA CCCC[C@@H](C)C(=O)NCCc1cnc2c(Cl)cnn2c1 295243396 BKVIRIFCYMHSFN-LLVKDONJSA-N 308.813 2.868 0 50 DFAA CCCc1cc2c(=O)n(CCCn3cccn3)cnc2s1 584885788 IAVHCHUKERZYGD-UHFFFAOYSA-N 302.403 2.697 0 50 DFAA CN(CCN1CCCC1)C(=O)[C@@]1(c2cccs2)CC1(C)C 584900528 WBHMSRJPGXKGJK-KRWDZBQOSA-N 306.475 2.970 0 50 DFAA Oc1nc(Cc2cn[nH]c2)nc2sc3c(c12)CCCCC3 585137250 OSZLFAGQINTHOM-UHFFFAOYSA-N 300.387 2.980 0 50 DFAA COc1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)ccn1 670457720 NDKZMQPUAAIKJB-UHFFFAOYSA-N 316.748 2.550 0 50 DFAA Fc1ccccc1N1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 670434410 NHTKAVHTSQRLPZ-OAHLLOKOSA-N 314.408 2.665 0 50 DFAA CC1(C)[C@@H](NCc2nc(-c3ccccc3)no2)[C@H]2CCCN[C@H]21 685943121 DGUZJZVJDDFYBL-IMJJTQAJSA-N 312.417 2.603 0 50 DFAA C1=CC[C@@H](CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)CC1 952960042 FUOUOBOLMJHXKC-ZGOKBZQCSA-N 313.449 2.667 0 50 DFAA CC(C)c1noc([C@@H](NC(=O)c2ccoc2)C2CCOCC2)n1 275281876 KRHNBLGVBPLDDQ-ZDUSSCGKSA-N 319.361 2.684 0 50 DFAA CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2COCCO2)o1 169991942 AYOITPMFDYPRCG-GOEBONIOSA-N 307.390 2.701 0 50 DFAA CCOC(=O)[C@H](C)N1CCC(Nc2nc(CC)cs2)CC1 170598194 MIBNLBRMSCOWHM-NSHDSACASA-N 311.451 2.533 0 50 DFAA CC(=O)Nc1cccc(COC(=O)c2ccn3cncc3c2)c1 170591943 RQWMJUHRMPKIPC-UHFFFAOYSA-N 309.325 2.650 0 50 DFAA c1ccc2c(c1)CC[C@@H](NCc1noc(-c3ccoc3)n1)CO2 585080213 JTKLVYMPSODDMY-CQSZACIVSA-N 311.341 2.813 0 50 DFAA COCCc1nsc(NCc2nccn2-c2ccccc2)n1 193537555 JIRPSHFYPITBRM-UHFFFAOYSA-N 315.402 2.525 0 50 DFAA C[C@H](NCc1ccc(S(C)(=O)=O)s1)C(C)(C)C(F)F 657987443 PCWLMFHMHILIQY-QMMMGPOBSA-N 311.419 2.921 0 50 DFAA CCCC[C@H]1CN(c2cc(C(=O)NC)ccn2)C[C@@H](C(C)C)O1 1616084315 MFTOCWDFZMYOPG-HOTGVXAUSA-N 319.449 2.861 0 50 DFAA CO[C@@H]1C[C@H](C(=O)N(Cc2ccc(C)s2)C2CC2)CC[C@@H]1O 1704326159 YXMKVJANIRMVOM-UHOFOFEASA-N 323.458 2.724 0 50 DFAA CCn1cc(CNc2cc(C)nc(N3CCCCC3)n2)c(C)n1 1704342013 BQADMHAQRYASLF-UHFFFAOYSA-N 314.437 2.912 0 50 DFAA CNC(=O)COc1ccccc1-c1cc(Cl)c(O)cc1F 1772702627 SUVKCDQZKGQUGJ-UHFFFAOYSA-N 309.724 2.977 0 50 DFAA O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCC[C@H]1C(=O)O 5000395 UZJHTVCOPDMNBX-VHSXEESVSA-N 308.403 2.851 0 50 DFAA CCOc1ccc(NC(=O)C[C@H](C)n2nc(C)nc2C)cc1 13533818 WGHVJWQIEALZAF-NSHDSACASA-N 302.378 2.883 0 50 DFAA COc1ccc([C@@H](C)CC(=O)N2CCC(C(=O)O)CC2)cc1 237172150 FALZSYMACOAMBG-LBPRGKRZSA-N 305.374 2.512 0 50 DFAA O=S(=O)(N[C@H]1CCCC[C@@H]1c1ccccc1)N1CCCC1 355409097 PDDDJIRVXVMTGH-CVEARBPZSA-N 308.447 2.643 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 253396993 RTINLBMKCOCFDC-BZUAXINKSA-N 323.820 2.650 0 50 DFAA Cc1nc(C(C)C)ncc1C(=O)N[C@H](C)c1ncccc1F 907861225 VFJSPZGRMBYFHR-LLVKDONJSA-N 302.353 2.934 0 50 DFAA O[C@@H](CNC[C@@H]1CCC2(CCCCC2)O1)c1ccc(F)cn1 819261238 IGASELNZGFLCBE-HOCLYGCPSA-N 308.397 2.726 0 50 DFAA Cc1ccc(NC(=O)NC[C@@]2(C)CCCCO2)c(N(C)C)n1 930503776 DSNVARMWIACIHE-MRXNPFEDSA-N 306.410 2.537 0 50 DFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC(n2ccnn2)CC1 935010737 XNBPEAZXLZOSJK-UHFFFAOYSA-N 324.306 2.832 0 50 DFAA C[C@@H]1CN(C(=O)c2c(Cl)nc3ccccn23)CC2(CCC2)O1 844102413 YOOAEIKSJOQIEM-LLVKDONJSA-N 319.792 2.771 0 50 DFAA Oc1nc(O)c2c(n1)CN([C@@H]1CCc3cc(Cl)ccc31)C2 1875299842 YBHHKJCLKYWTSF-CYBMUJFWSA-N 303.749 2.544 0 50 DFAA O=C(N=c1cc(C2CC2)[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875263478 QWCHQLJLZOUXOX-UHFFFAOYSA-N 322.372 2.598 0 50 DFAA c1ncc(CCc2nc([C@@H]3CC[C@@H]4COCC[C@H]4C3)no2)cn1 1875308104 YTNXKOJKTWGYMR-RRFJBIMHSA-N 314.389 2.565 0 50 DFAA CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C=C(C1CC1)C1CC1 1875324395 XAYAKNWVNZHTLD-UHFFFAOYSA-N 323.400 2.572 0 50 DFAA Cc1c(C(=O)NC[C@H]2CCCC(C)(C)O2)cnn1CC(C)C 890127360 FSGPPGAUPKJJIH-CQSZACIVSA-N 307.438 2.925 0 50 DFAA NC(=O)c1c(F)cccc1N1CCCO[C@@H](c2ccccc2)C1 892345005 IAQSWBKNFSEVTP-MRXNPFEDSA-N 314.360 2.893 0 50 DFAA CC1(C)COC[C@H](CSc2ncc(C3CCOCC3)[nH]2)O1 2325783739 YPFUXELHTNPVEN-GFCCVEGCSA-N 312.435 2.590 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(CN)o3)cc2)c1C 2325824479 CIQNKXYFPQXYNJ-UHFFFAOYSA-N 310.357 2.793 0 50 DFAA C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@@H]1C(=O)NCC1(C)C 1462446322 NMXCVLXWKFRVFB-SUMWQHHRSA-N 300.446 2.611 0 50 DFAA Cc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1 32015 DNGQKSVVWQBBTD-UHFFFAOYSA-N 323.396 2.917 0 50 DFAA aggregator CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 69986 ZMENSJIWRTVVDG-QWHCGFSZSA-N 317.341 2.801 0 50 DFAA O=C1OCN(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1 335149 JUKOCCGVSRMWMD-INIZCTEOSA-N 311.337 2.751 0 50 DFAA COc1cccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 387202 QENCFVDIVHZOEA-UHFFFAOYSA-N 305.355 2.699 0 50 DFAA O=S(=O)(Cc1cccc[n+]1Cc1ccccc1)c1ccccc1 398740 SMXAETVXBZXWKF-UHFFFAOYSA-N 324.425 2.996 0 50 DFAA C[C@@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@@H](C)O1 758092 LDQTXXIPBVZWQI-IAGOWNOFSA-N 302.462 2.803 0 50 DFAA C[C@H](CNC(=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 2903544 UUAJVOFYROXYKQ-LLVKDONJSA-N 318.323 2.513 0 50 DFAA COc1cccc(OC)c1OCCCCNC[C@@H]1CCCO1 3003535 WSPMWFLPTCNTTO-AWEZNQCLSA-N 309.406 2.631 0 50 DFAA O=C1NCCC[C@]12CCCN2Cc1ccc2cc(O)ccc2c1 2356163652 MJTULBQTCYGCNX-IBGZPJMESA-N 310.397 2.790 0 50 DFAA c1ccc(-n2nnnc2CSc2nc3ccccc3[nH]2)cc1 4453044 FANBQAZOACTUFB-UHFFFAOYSA-N 308.370 2.831 0 50 DFAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccco1 249687091 HDYJNRRRIYGEGR-FPCVCCKLSA-N 302.418 2.858 0 50 DFAA c1cc(N2CCC(NC[C@H]3CCOC4(CCC4)C3)CC2)ccn1 459573271 IMFAEJYUZBBIAI-INIZCTEOSA-N 315.461 2.989 0 50 DFAA O=C(C1=NO[C@H](c2ccccc2)C1)N1CCCO[C@H]2CCC[C@H]21 225248175 INDUEYXUNTXQRK-IKGGRYGDSA-N 314.385 2.674 0 50 DFAA CCOC(=O)c1nc(NC(=O)[C@@H](C)Cc2ccccc2F)c[nH]1 225467887 CRGJAPVPZJOQFF-JTQLQIEISA-N 319.336 2.543 0 50 DFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(C)C)cc2)n1 9143562 GXECKWWYOQXUNB-UHFFFAOYSA-N 317.414 2.933 0 50 DFAA COCCN(Cc1ccc(C)cc1)C(=O)c1ccc(CO)cc1 55402986 ADNPUTRZGPEWNW-UHFFFAOYSA-N 313.397 2.776 0 50 DFAA COc1ccc(CN2C(=O)C[C@H](c3cccc(F)c3)C2=O)cc1 101172649 PWBFSTVOPQKIKF-MRXNPFEDSA-N 313.328 2.877 0 50 DFAA c1nc(C2CCCCC2)ncc1CN1CC[C@H]2CC[C@@H](C1)N2 65403356 MCHYEXFLRUNGQQ-SJORKVTESA-N 300.450 2.851 0 50 DFAA Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](C)CC2=O 67640719 QGKJIYVVYRXIFJ-SNVBAGLBSA-N 310.353 2.701 0 50 DFAA CCSc1ncc(CN(C)Cc2cc(C3CC3)n[nH]2)cn1 216377667 GLDYJBLCWOSGBQ-UHFFFAOYSA-N 303.435 2.821 0 50 DFAA CCN(CC)C(=O)[C@]1(C)CC1(Br)Br 2770711 XUTVOJBGRBSIHL-QMMMGPOBSA-N 313.033 2.751 0 50 DFAA CCOC(=O)C(CCCOc1ccc(F)cc1)C(=O)OCC 2880560 QVNMOTQMTYOYQT-UHFFFAOYSA-N 312.337 2.727 0 50 DFAA CN(C)CC[C@@H]1CCCCN1C(=O)NCCc1ccccc1F 72447247 VVBMYXZSMCOBRU-INIZCTEOSA-N 321.440 2.884 0 50 DFAA C[C@H](NCc1cccnc1-n1ccnc1)c1ccc2c(c1)OCO2 151481696 FGVWQTBZYDVZBN-ZDUSSCGKSA-N 322.368 2.847 0 50 DFAA CC1CCN(C[C@H](O)CN2CCc3c(Cl)cccc3C2)CC1 152008887 QKGUESWSRRMCNM-INIZCTEOSA-N 322.880 2.791 0 50 DFAA Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccn(C)c(=O)c2)C1 121723342 JZFJDAOQQZCASQ-GDBMZVCRSA-N 310.397 2.712 0 50 DFAA Cc1nc(CN2CCN(Cc3cccc(Cl)c3)CC2)co1 72167805 TUMGCDZJUYIWOK-UHFFFAOYSA-N 305.809 2.954 0 50 DFAA CN1CCC([C@@H]2CCN(c3ncnc4c(F)cccc34)C2)CC1 433778821 CGUSIXULXBIYNY-CQSZACIVSA-N 314.408 2.937 0 50 DFAA CN1CCC[C@@H]1CCNC(=O)c1ccc(CCC(C)(C)O)cc1 72479658 PCOZTKAQCFJUNJ-QGZVFWFLSA-N 318.461 2.604 0 50 DFAA Cc1c(Cl)c(C(=O)NC[C@@H](C)N(C)c2ccccc2)nn1C 215891433 ZNZUJOOKSAAASR-LLVKDONJSA-N 320.824 2.637 0 50 DFAA O=C(O)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cn1 237972762 CSSZQDIGYIKXII-UHFFFAOYSA-N 314.316 2.724 0 50 DFAA Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCCCNC3=O)cc2c1C 371571588 LSDISMYXFRQSTN-MRXNPFEDSA-N 313.401 2.525 0 50 DFAA CSCC(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 216161090 STYILXGOHKGCDL-UHFFFAOYSA-N 321.833 2.978 0 50 DFAA Cc1nc[nH]c1CN1CCCN(CCCc2ccccc2)CC1 72145078 DSUCBBMKPMCSCR-UHFFFAOYSA-N 312.461 2.859 0 50 DFAA O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 238097370 IRONBASHNZPDLX-JQFCIGGWSA-N 310.401 2.732 0 50 DFAA Cc1cccc(CN2CCN(C(=O)c3ccsc3)CC2=O)c1 77299469 NEHVMKDZNNFKOU-UHFFFAOYSA-N 314.410 2.541 0 50 DFAA C[C@H]1CN(Cc2noc(C(C)(C)C)n2)c2ccccc2NC1=O 174178382 UGUCXOOHJNKRJK-NSHDSACASA-N 314.389 2.962 0 50 DFAA CSCc1cc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)ccc1F 237380397 HYPWJJORAUUNTP-DGCLKSJQSA-N 310.438 2.888 0 50 DFAA CC(C)[C@H]1N(C(=O)c2nccnc2C(=N)O)CC12CCCCC2 333754311 NRWZRMWWYFFVGF-CQSZACIVSA-N 316.405 2.791 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2cnn(-c3cccc(Cl)c3)c2)C1 222382908 KZPFYNBLUWUQMY-CYBMUJFWSA-N 319.792 2.822 0 50 DFAA COc1cccc(O[C@@H](C)C(=O)N(C)CCc2ccncc2)c1 41292853 WRAYCXBCNZOKPL-AWEZNQCLSA-N 314.385 2.559 0 50 DFAA CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(CN)c2)cc1 241707071 QMKBCOXLXAGFQM-UHFFFAOYSA-N 311.385 2.992 0 50 DFAA CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)c1cccc(O)c1 174868625 SMBMPSDALQXABK-ZDUSSCGKSA-N 316.405 2.805 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286070093 CKDZVRGJXXMUQI-IMJJTQAJSA-N 323.820 2.650 0 50 DFAA CCCSCC(=O)N(C)Cc1ccccc1-n1cccn1 222422668 DZILGDWPAVYJEA-UHFFFAOYSA-N 303.431 2.974 0 50 DFAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(OC)nc1 426546236 QZBLHRNVXFCSPY-OAHLLOKOSA-N 314.389 2.884 0 50 DFAA CN(C)c1cccc(C(=O)NCC2(N3CCCC3)CCCC2)c1 220153542 GPSMQAQKAIYYRZ-UHFFFAOYSA-N 315.461 2.891 0 50 DFAA CC(C)c1noc(CCNc2nccc(-c3ccccn3)n2)n1 97772973 QQXONTDCBQQGBN-UHFFFAOYSA-N 310.361 2.700 0 50 DFAA CCn1nncc1C(=O)N1CCC[C@H]1c1ccccc1Cl 292811407 NFCGZOSJDDKFHH-ZDUSSCGKSA-N 304.781 2.929 0 50 DFAA CCCCCc1nnc(NC(=O)N[C@H]2CCSC2)s1 23128796 VAPNYWHDIAMAAG-VIFPVBQESA-N 300.453 2.898 0 50 DFAA COCCCN(Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCCC1 244873180 WLHSUZTWFVSZSA-OAHLLOKOSA-N 322.424 2.675 0 50 DFAA CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)Nc1ccncc1F 184147166 MHGSNZRXFPIJRD-LBPRGKRZSA-N 309.341 2.559 0 50 DFAA Cn1ccnc1C[C@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1 184734888 FVPVOMMCHYWOKA-CQSZACIVSA-N 309.417 2.751 0 50 DFAA CN(CCN1CCCCC1=O)Cc1cncn1C1CCCCC1 252478826 AVPFTZVCLNXSJZ-UHFFFAOYSA-N 318.465 2.833 0 50 DFAA CC[C@H](NC(=O)c1cc(Cl)ccc1O)c1ncnn1CC 299772197 ZWZWPEVYXYVTGY-NSHDSACASA-N 308.769 2.538 0 50 DFAA Cc1cc(COC(=O)[C@@H]2C[C@H]2C2CC2)nc(N2CCCCC2)n1 163199761 GQIZCZIJZHTERN-JKSUJKDBSA-N 315.417 2.865 0 50 DFAA Cc1cnccc1N1CCN(Cc2ccncc2Cl)CC1 670445288 KZRYXSNGMHICSV-UHFFFAOYSA-N 302.809 2.761 0 50 DFAA Cc1nonc1CN1CCC(c2nc3ccccc3n2C)CC1 670474335 TUIHOHCQDJZSKT-UHFFFAOYSA-N 311.389 2.644 0 50 DFAA Cc1oc(C)c(C(=O)N2CCOc3ccccc3[C@H]2CO)c1C 887107650 MMHINTXSNHBCPN-OAHLLOKOSA-N 315.369 2.773 0 50 DFAA CCn1nc(COc2ccc(C(C)(C)C)cc2)nc1CNC 952988422 LXOBBUSSGGOVDI-UHFFFAOYSA-N 302.422 2.894 0 50 DFAA O=C(O)c1cc(C(=O)O)cc(-c2ccc(F)c(C(=O)O)c2)c1 65354887 YBMRDJSVFYJTFH-UHFFFAOYSA-N 304.229 2.587 0 50 DFAA in-vitro Cc1ccc2cccc(C(=O)NC[C@](C)(O)c3ccco3)c2n1 304412851 QJXMKLWRNSQXHX-SFHVURJKSA-N 310.353 2.774 0 50 DFAA C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)c1cccnc1 408521764 CRQXIVRFKSVDPK-TZMCWYRMSA-N 304.390 2.664 0 50 DFAA CC(=O)NC1CCN(c2ncc(-c3ccccc3)s2)CC1 301496335 CBESBVHYMZAVKN-UHFFFAOYSA-N 301.415 2.915 0 50 DFAA CC[C@H](NC(=O)c1cc(C)n(CC)c1C)[C@@H](O)C(F)(F)F 270891489 PVRUGSGEWOYUAC-NWDGAFQWSA-N 306.328 2.556 0 50 DFAA CCC(CC)[C@H]1C[C@@H](Nc2ncccc2C(=O)NC)CCO1 302012432 BAVZQLVGOFGOTO-DZGCQCFKSA-N 305.422 2.837 0 50 DFAA CC(C)c1nnc([C@H]2COCCN2C(=O)C2=CCCCCC2)o1 275381633 OWXMGOURKFNMES-CQSZACIVSA-N 319.405 2.983 0 50 DFAA N[C@H](c1nc(Cc2ccccc2Cl)no1)C1CCOCC1 275674770 VWSDDDKEKKHEEJ-AWEZNQCLSA-N 307.781 2.740 0 50 DFAA COc1nnc(NC(=O)N2CC[C@H](c3ccccc3)C2)s1 276579681 UCHHQQGKRSAHPV-NSHDSACASA-N 304.375 2.568 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 188191212 SZBPVVPTCKEFGF-CABCVRRESA-N 312.454 2.935 0 50 DFAA Cc1cc(N)nc(S[C@H]2CCO[C@@H](c3cccnc3)C2)n1 585118535 SLCKQNUICPHQFP-QWHCGFSZSA-N 302.403 2.775 0 50 DFAA C[C@H]1CCSCCN1C(=O)NC1CCC(CN(C)C)CC1 195579696 XLKOLFBPKXOEQJ-NFOMZHRRSA-N 313.511 2.644 0 50 DFAA Cc1cccc(CC2CN(C(=O)Cc3ccc(C(=O)O)cc3)C2)c1 659229542 SCFVGLVBLZKDGH-UHFFFAOYSA-N 323.392 2.937 0 50 DFAA C[C@H]1CCCN(CCNC(=O)C2(Cc3ccc(O)cc3)CC2)C1 1615590868 QTOPUPOQXLNGBB-HNNXBMFYSA-N 316.445 2.563 0 50 DFAA N[C@H]1C[C@@H](NC(=O)C2(c3nccc4ccccc34)CC2)C12CCC2 1615555838 YPPAETQIAYDHNR-JKSUJKDBSA-N 321.424 2.653 0 50 DFAA O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCOCC1 1191669 RPNGWTAYRPIWDC-UHFFFAOYSA-N 324.591 2.884 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1c(O)cccc1O)C2 1704337155 XIGQJJBOSDTJAO-RHSMWYFYSA-N 305.374 2.519 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 12441273 ZXJKXESWEMPFHQ-GFCCVEGCSA-N 318.808 2.852 0 50 DFAA CC(=O)NCC(=O)N1CCCCC[C@H]1C=Cc1ccccc1 1857533251 IUWNOHYKQKTGTQ-KRWDZBQOSA-N 300.402 2.607 0 50 DFAA CC[C@H]1C[C@@H](O)CC2(CCN(CCc3ccc(O)cc3)CC2)O1 1857712350 VQKNAFGGAGZYEQ-MSOLQXFVSA-N 319.445 2.719 0 50 DFAA O=C(NCc1cnc[nH]1)C1(c2ccccc2Br)CC1 356485012 SSPVXHFOXPWFHM-UHFFFAOYSA-N 320.190 2.520 0 50 DFAA Cc1ccccc1-c1nc(CNC(=O)N(C)CC(C)C)no1 408515482 OQZUNDOOSGMGLM-UHFFFAOYSA-N 302.378 2.842 0 50 DFAA CCn1cc(Cl)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 315917535 SVTLLSGCRQFYIA-CYBMUJFWSA-N 320.776 2.587 0 50 DFAA CN1CC[C@H](CNCc2ccc(Cl)c3cccnc23)CC1=O 424188506 LODXNPITSUCBCC-LBPRGKRZSA-N 317.820 2.846 0 50 DFAA COc1ccc2cc(C(=O)N[C@H](CC3CC3)C(=O)O)sc2c1 630156880 JKVBTRPKERZFEC-GFCCVEGCSA-N 319.382 2.893 0 50 DFAA O=C(c1cc(-n2cccn2)ccn1)N(CC1CC1)c1cccnc1 135583218 AFIBZYRLHAFNPS-UHFFFAOYSA-N 319.368 2.719 0 50 DFAA Cc1nccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1Cl 157370020 UGAYOTARLXGGGS-ZDUSSCGKSA-N 319.792 2.769 0 50 DFAA O[C@@H](c1ccccc1)c1cn(Cc2ccn(C3CCCC3)n2)nn1 393242170 NBJDBWZIKXPVAW-SFHVURJKSA-N 323.400 2.720 0 50 DFAA O=C(Cc1cccc(C(F)(F)F)n1)Nc1cnn2c1CCCC2 828147556 CFOJVJZKIKGVMS-UHFFFAOYSA-N 324.306 2.814 0 50 DFAA C[C@]1(C(=O)NCCc2ccccc2O)CCOc2ccccc21 934938843 LMFXDYZBOSEKRS-IBGZPJMESA-N 311.381 2.791 0 50 DFAA Cc1cc2nnc(SCCc3cncc(F)c3)n2c(C)n1 1875273563 KIKVBFQIZAUBJD-UHFFFAOYSA-N 303.366 2.610 0 50 DFAA CCOc1nc(Nc2cccc(N(C)C(C)=O)c2)ncc1C 1875273525 FLTHHBGLLNSBFP-UHFFFAOYSA-N 300.362 2.910 0 50 DFAA CC[C@H]1COC[C@@H]1N=c1[nH]c(-c2cccnc2)nc2ccccc12 1875267503 PNRXLGBQTWQJHK-GUYCJALGSA-N 320.396 2.951 0 50 DFAA C=Cn1nccc1CN(C=O)[C@H]1C[C@H](c2cccc(OC)c2)C1 1875324808 BPWKLILZNSPYSP-JCNLHEQBSA-N 311.385 2.897 0 50 DFAA O=c1onc(Cc2ccc(F)cc2)n1Cc1cccnc1Cl 1875317792 FCJMUNJTMPPBMB-UHFFFAOYSA-N 319.723 2.663 0 50 DFAA CN1CC[C@H](C(=O)N2C[C@H]3C[C@H]2C(F)(F)C3)[C@@H]1c1ccccc1 1875396474 IXLQRBFGKUYQSW-TUUVXOQKSA-N 320.383 2.936 0 50 DFAA O=C1NCCCN1c1cc(N[C@@H]2COC3(CCC3)C2)ccc1F 894509983 HAJNOXCWEFYYGE-ZDUSSCGKSA-N 319.380 2.869 0 50 DFAA COC(=O)c1cc2c(I)cccc2[nH]1 238390975 QJJKBLGPGQTMQO-UHFFFAOYSA-N 301.083 2.559 0 50 DFAA OCCn1c(N2CCc3ccccc3CC2)nc2ccccc21 2100539358 FAMIKBVZYQUTRY-UHFFFAOYSA-N 307.397 2.634 0 50 DFAA CCOC(=O)c1cc(NC(=O)Nc2ccccn2)c(C)nc1C 617228 MZZGCAMRMUPINA-UHFFFAOYSA-N 314.345 2.914 0 50 DFAA O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1 1759937 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306.837 2.621 0 50 DFAA Cc1cc(C)n(-c2ncnc3c2cnn3Cc2ccccc2)n1 5541344 LKZIDKOXSNEJEX-UHFFFAOYSA-N 304.357 2.677 0 50 DFAA CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccccc32)C1 12381359 VEWRWSHDMJYSEX-YNKQFZHNSA-N 301.386 2.858 0 50 DFAA O=C1CC[C@@H](C(=O)N2CCCCC[C@H]2C=Cc2ccccc2)N1 1857533230 IHCBLVZWLKSTHZ-IRXDYDNUSA-N 312.413 2.750 0 50 DFAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cnc2ccccc2n1 1857678741 QOYMNNPZBRAVJS-CYBMUJFWSA-N 312.417 2.713 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C(C)C)O1 1875247689 OHZKMYRNWUWRJZ-CZUORRHYSA-N 319.449 2.954 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1 238083096 JMKMJKYMXJGOCX-GFCCVEGCSA-N 301.298 2.761 0 50 DFAA CC(=O)N1C[C@H](C)CN(C(=O)CC(F)(F)F)c2ccccc21 363268839 SKVZXMZXVZPKAZ-JTQLQIEISA-N 314.307 2.975 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 263531560 MOZISJHVVBIARJ-UHFFFAOYSA-N 319.361 2.980 0 50 DFAA Cc1ccc(NC(=O)c2ccoc2C2(O)CCOCC2)c(C)n1 934498458 AMFDTYHOGOZRLU-UHFFFAOYSA-N 316.357 2.542 0 50 DFAA 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Cc1cc(=O)cc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)o1 220053536 FTLHYFFOAOZOBA-CYBMUJFWSA-N 323.352 2.625 0 50 DFAA COc1ccc(CN(C)Cc2ccoc2)cc1Cn1cncn1 223780296 GORPCPGDHYDUKE-UHFFFAOYSA-N 312.373 2.560 0 50 DFAA CC(C)N(C(=O)/C=C/c1cnc2ccccc2n1)[C@@H]1CCOC1 291600089 GFKCBTHMLNDNQD-MVGZEHJDSA-N 311.385 2.669 0 50 DFAA CNC[C@H]1CCN(C(=O)COc2ccc(C(C)C)c(C)c2)C1 179011995 BMIMSBUQXCHUKB-OAHLLOKOSA-N 304.434 2.565 0 50 DFAA CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@H]1CCNC1 179098538 PXLCFFQLWGSRIV-CYZMBNFOSA-N 312.335 2.629 0 50 DFAA O=C(O)Cn1nc(COc2cccc(Cl)c2)nc1C1CCC1 97547460 CZZBXXTZKMRXKD-UHFFFAOYSA-N 321.764 2.863 0 50 DFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCc3cc(C)nn3C)c2c1 97117670 AXEXVUBNSUOAHX-UHFFFAOYSA-N 324.428 2.994 0 50 DFAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]12 239184840 RBSLAGQYLSMPCD-JQEORGNBSA-N 319.744 2.740 0 50 DFAA CN1CCC[C@@]2(CCN(C(=O)c3cc(F)ccc3Cl)C2)C1=O 91594304 RHNWRTUDRKZTIE-INIZCTEOSA-N 324.783 2.564 0 50 DFAA COc1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 239235799 WSYPDCZGUZHFBG-KYAUXOHTSA-N 317.385 2.619 0 50 DFAA Cc1ccc(CNC(=O)c2cnc(N)nc2-c2ccccc2)o1 97370376 YPLNDRJFHKFWDK-UHFFFAOYSA-N 308.341 2.557 0 50 DFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1ccc2ccccc2n1 244718888 LSSVKSIIBFXEAQ-PBHICJAKSA-N 309.413 2.725 0 50 DFAA Cc1ccnc(NC(=O)[C@]2(OC(C)C)CCOC2)c1C1CC1 622925731 OKHBDQAKRPVLDZ-KRWDZBQOSA-N 304.390 2.790 0 50 DFAA CCCC[C@@H](NC(=O)c1ccn(CC)c(=O)c1)c1cccnc1 299793499 GITLNFIMYJWFSL-MRXNPFEDSA-N 313.401 2.925 0 50 DFAA COc1ncc(CN2CCC3(CC2)OCCO3)c2ccccc12 585136920 YOHBFTJWMZRXKW-UHFFFAOYSA-N 314.385 2.582 0 50 DFAA COc1ccc(C(=O)N2C[C@H](C)[C@@](O)(C3CCC3)C2)cc1Cl 1565526802 JVLKCSCDYUCXEO-APPDUMDISA-N 323.820 2.972 0 50 DFAA CCC(CC)n1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 269303145 KLJSSHGXACIFRE-SJORKVTESA-N 313.401 2.632 0 50 DFAA CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccoc1 271821372 NIHVINARJNUKDX-XHDPSFHLSA-N 306.337 2.994 0 50 DFAA CC[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1F 170593065 XQOIPYRVKAEFCZ-VBNZEHGJSA-N 308.397 2.502 0 50 DFAA C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@](C)(C(=O)O)C1CC1 170592086 KEBYNDDGFPIZKR-APPDUMDISA-N 307.365 2.764 0 50 DFAA O=C(N[C@H]1CCC[C@@H]1CCO)c1cc(F)cc2cccnc12 189104069 PBFYHQITQKYIGC-ABAIWWIYSA-N 302.349 2.655 0 50 DFAA Cc1ncc(CC(=O)N2CCO[C@H](c3ccccc3Cl)C2)o1 639677515 ASWHCGGHWCFSKI-HNNXBMFYSA-N 320.776 2.779 0 50 DFAA CCc1cnc(NC(=O)N2C[C@@H](CO)c3ccccc32)s1 639731197 DIGGAOXSBAUVQC-JTQLQIEISA-N 303.387 2.834 0 50 DFAA Cn1cccc1[C@@H]1COCCN1Cc1nnc(-c2ccccc2)o1 189547826 CCWRJRLCRKKLHQ-INIZCTEOSA-N 324.384 2.649 0 50 DFAA Cn1cc(CNc2ccc(N=S3(=O)CCCC3)cc2)cn1 585118551 SZYINXJXEMFPPW-UHFFFAOYSA-N 304.419 2.926 0 50 DFAA CC(C)n1ccnc1CN(C)C[C@H]1COc2ccccc2O1 195513849 WTDDRNNOHGOYHF-AWEZNQCLSA-N 301.390 2.736 0 50 DFAA C[C@H](O)C1CN(Cc2cc(Cl)ccc2Br)C1 719885737 ZRYLEFZTQWBVOC-QMMMGPOBSA-N 304.615 2.915 0 50 DFAA OCCN[C@@H](c1cc(F)c(Br)cc1F)C1CC1 1614999083 PLBIREOSYFRXRB-GFCCVEGCSA-N 306.150 2.760 0 50 DFAA Cc1ccc(CC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1C 1615964594 QZRAOBXWLDPFDM-OALUTQOASA-N 324.424 2.615 0 50 DFAA CCC[C@H]1CN(Cc2cncn2C2CCCC2)C[C@@H]1C(=O)O 1616104335 UESPSEBFUDONCR-BBRMVZONSA-N 305.422 2.931 0 50 DFAA Cc1c(Br)cccc1C(=O)N1CC[C@@H](N)C[C@@H]1C 124731921 PHOLRQXTDXRFCX-GXSJLCMTSA-N 311.223 2.709 0 50 DFAA NC[C@H]1CCCN1C(=O)CCc1cccc(Cl)c1Cl 238034086 RIZWHQDYEZOPIR-LLVKDONJSA-N 301.217 2.876 0 50 DFAA Cc1cc(Br)cc(C(=O)NCc2cc(C)no2)c1 131174657 ZQGPQHXTCVJRMY-UHFFFAOYSA-N 309.163 2.984 0 50 DFAA c1ccc2c(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)ccnc2c1 1529174466 UXNWAUHPINEYTL-YLJYHZDGSA-N 323.440 2.530 0 50 DFAA COC(C)(C)CCC[C@H](C)CCN(CCO)Cc1ncc[nH]1 1704329437 UWANICCJUXLVDA-HNNXBMFYSA-N 311.470 2.826 0 50 DFAA CC[C@H]1CN(Cc2c[nH]c(C)n2)Cc2cc(OC)ccc2O1 19939676 VVLDTHBMWKDKPA-HNNXBMFYSA-N 301.390 2.900 0 50 DFAA COc1ccccc1OCCN(C)c1ncnc2ccc(C)nc12 1857671590 JSNPAMCABIWJKB-UHFFFAOYSA-N 324.384 2.857 0 50 DFAA C[C@]1(CNCc2ccnn2-c2ccccn2)CCO[C@H]1C1CC1 647202786 PUTOBKREHMVXLF-ZWKOTPCHSA-N 312.417 2.562 0 50 DFAA C[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 408230554 CALZNLMXSZEAQG-ZFWWWQNUSA-N 315.479 2.629 0 50 DFAA Cc1nc(N2CCOCC2)ccc1NC(=O)c1sccc1F 343187463 GWYOEEGHSSAZAT-UHFFFAOYSA-N 321.377 2.680 0 50 DFAA Cc1cnccc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 156924918 HDKQMEBGGKZEKC-OAHLLOKOSA-N 302.422 2.730 0 50 DFAA Cc1cc(CNc2ccc(C(=O)N[C@H](C)C(=O)O)cc2)c(C)o1 901716780 RHLGRLOPKMJVEC-LLVKDONJSA-N 316.357 2.711 0 50 DFAA Cc1ccc(NC(=O)NC[C@H]2CCCN2CC(F)F)c(C)n1 930337295 FPVGLGZPRGSUOT-GFCCVEGCSA-N 312.364 2.549 0 50 DFAA Oc1ncccc1CNC[C@H](O)c1cccc(C(F)(F)F)c1 863584497 DVHCMGQNQWZNCU-ZDUSSCGKSA-N 312.291 2.629 0 50 DFAA CC(C)c1cccc(CNC(=O)CC[C@@H]2C[C@H](C(=O)O)CO2)c1 872739497 AVNDONNMOAMDDN-JKSUJKDBSA-N 319.401 2.696 0 50 DFAA CC(C)C[N@@]1C[C@@H]1COc1ccc(C(=O)N2CCCC2)cc1 1875385422 SOTYZSYGPYPGEB-UZLBHIALSA-N 302.418 2.642 0 50 DFAA Cc1[nH]nc2ncc(CNC[C@H](C)Oc3cccc(F)c3)cc12 1875347932 YSTBAVZJJMVKCP-NSHDSACASA-N 314.364 2.963 0 50 DFAA CC[C@H](C)c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c(O)n1 1875309042 NTVGNXVWSGSXPN-MAZHCROVSA-N 317.433 2.609 0 50 DFAA CCn1c(-c2nnc([C@]3(OC)CCOC3)o2)cc2ccccc21 886085457 HUJINOAHHWRJLI-KRWDZBQOSA-N 313.357 2.973 0 50 DFAA CC[C@H](C)OC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 1775999627 VOPBOHQHMATJCQ-STQMWFEESA-N 302.378 2.844 0 50 DFAA O=C(CN1CC=CC1)Nc1ccc(Br)cc1Cl 408523825 NVYWHOOLGXJEBE-UHFFFAOYSA-N 315.598 2.913 0 50 DFAA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1ccccc1 1427844 CXXGLFBLMAVACZ-CQSZACIVSA-N 305.333 2.980 0 50 DFAA CCCNC(=O)c1ccc(-c2cc3c(cc2OC)OCO3)o1 2100534282 AVJMYABBHKCQMC-UHFFFAOYSA-N 303.314 2.824 0 50 DFAA CCCCn1nc(C2CCOCC2)nc1[C@H]1CC[C@@H](N)CC1 2100544794 JMYKLVMIIFZVDP-GASCZTMLSA-N 306.454 2.957 0 50 DFAA O=C(O)c1cccc2c1CN(Cc1cc(C(F)F)on1)CC2 2325787825 ZALRNCKOQMQJRC-UHFFFAOYSA-N 308.284 2.869 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)Cc3nncs3)cc2)c1C 2325824692 MNPXKKFYQCFORA-UHFFFAOYSA-N 313.386 2.522 0 50 DFAA C[C@@H]1CN(Cc2ccc(CO)o2)C[C@@H](c2ccc(F)cc2)O1 245753593 OGNICSNFKJUZLV-PXAZEXFGSA-N 305.349 2.873 0 50 DFAA Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2)s1 76399 FWIYWORLNGZARA-UHFFFAOYSA-N 300.796 2.505 0 50 DFAA CN(C)CCOC(=O)[C@H]1CC2=C(CCCC2(C)C)C[C@@H]1C(=O)O 321839 SQDFUMNRZHDLGQ-KBPBESRZSA-N 323.433 2.709 0 50 DFAA biogenic COc1ccccc1-n1c(=O)oc2ccc(Cl)cc2c1=O 1067771 MZLLADLBCUWXKL-UHFFFAOYSA-N 303.701 2.606 0 50 DFAA Cc1cccc(-c2noc(CCC(=O)NCc3ccco3)n2)c1 2209178 WBESPQARXKBRJE-UHFFFAOYSA-N 311.341 2.887 0 50 DFAA COc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 2869402 CZPIAQVBKBHIIR-UHFFFAOYSA-N 312.325 2.632 0 50 DFAA CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)C1 3905138 VEWRWSHDMJYSEX-SUFBMKPHSA-N 301.386 2.858 0 50 DFAA O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(F)c1 4384056 LFZAJLQFLKVNQX-UHFFFAOYSA-N 311.316 2.564 0 50 DFAA O=C([C@H]1CCCN(Cc2ccccn2)C1)N1CCCCCC1 4712123 TWICQFAVVXGLRU-INIZCTEOSA-N 301.434 2.696 0 50 DFAA COc1ccc([C@@H](C(=O)O)[C@H](C(=O)O)c2ccccc2)cc1 4776135 JMDQOIIJRILROU-HUUCEWRRSA-N 300.310 2.732 0 50 DFAA CCOC(=O)C1CCN(CCCOc2cccc(OC)c2)CC1 6701393 KIUGHXTVDALDKR-UHFFFAOYSA-N 321.417 2.739 0 50 DFAA Cc1cc(C(C)(C)C)cc(C)c1NC(=O)CN1CCOCC1 25663774 UCZNDMAYUPAOQC-UHFFFAOYSA-N 304.434 2.872 0 50 DFAA O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCCCCC1 22235399 YGUQLTDSIPZRFU-UHFFFAOYSA-N 310.397 2.964 0 50 DFAA Cc1cc(C)c(CNc2cc([C@@H]3CCCNC3)nc(C)n2)cn1 67654704 LUEUNIFPYILNIM-OAHLLOKOSA-N 311.433 2.876 0 50 DFAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)CC2(CO)CCC2)c1 67514646 XGDNTJLXFUQGRE-UHFFFAOYSA-N 324.808 2.533 0 50 DFAA COc1cc(C)c(-c2nc(CN3CCNCC3)c(C)o2)cc1C 67841244 QJJBKBRELMEUEI-UHFFFAOYSA-N 315.417 2.681 0 50 DFAA C=CCN(Cc1ccccc1C)C(=O)Cc1c(C)nc(N)nc1C 65405401 HQRKISKLTMRQAE-UHFFFAOYSA-N 324.428 2.741 0 50 DFAA CC(C)CNC(=O)c1ccc(-c2cccc3c2O[C@H](CN)C3)o1 67850975 NJGASSIWKWYDNF-ZDUSSCGKSA-N 314.385 2.595 0 50 DFAA CCn1c(S)nnc1-c1cc(C2CC2)nc2c1c(C)nn2C 12394471 AADKQCZRBGPWHV-UHFFFAOYSA-N 314.418 2.721 0 50 DFAA Cc1noc([C@H](NC/C=C/c2ccco2)C2CCOCC2)n1 328624764 KEHXTYMGSYOZFE-TXTHVTMNSA-N 303.362 2.742 0 50 DFAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccc2cc[nH]c2c1 328623417 JCUSWZAITWAYQH-ZDUSSCGKSA-N 308.385 2.699 0 50 DFAA O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@@H]1CO 153863422 SRDLXIIRAUKUHV-RDBSUJKOSA-N 324.218 2.536 0 50 DFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)Cn1ccnc1 72438122 GJPZYUAGYFKNFX-UHFFFAOYSA-N 312.398 2.665 0 50 DFAA C[C@H](CC(=O)N(C)Cc1ccc(-n2cccn2)cc1)n1cccn1 72431999 PITLCPVDYKQPHZ-OAHLLOKOSA-N 323.400 2.679 0 50 DFAA CCCc1nc(C(=O)NCc2cccnc2OCC)cs1 216116116 VGMJSKCGOVVCSN-UHFFFAOYSA-N 305.403 2.819 0 50 DFAA O=C1[C@@H](Sc2cnn[nH]2)CCCN1c1ccccc1Cl 155964512 QXPBZTYRJACWBH-NSHDSACASA-N 308.794 2.746 0 50 DFAA CC(C)(C)[C@H](NC(=N)O)C(=O)N1CCC(CC(F)(F)F)CC1 330551648 XPTOWKJVVSIQBD-SNVBAGLBSA-N 323.359 2.674 0 50 DFAA CC(C)c1nnc(CN2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)n1C 331593083 MBMXMGJIJVAGRN-RKVPGOIHSA-N 320.481 2.844 0 50 DFAA COc1c(Cl)cc(Cl)cc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12 219431833 GZBJJWYHRKESBS-ZHAHWJHGSA-N 316.184 2.909 0 50 DFAA Fc1cccc2c1[C@H](Nc1ncncc1Br)CO2 374675519 FGKUOXGWBPVJDJ-SECBINFHSA-N 310.126 2.924 0 50 DFAA Cc1cc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)c2ccccc2n1 72439668 UZTTYBHWORXMFO-GOSISDBHSA-N 311.385 2.964 0 50 DFAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nn1C(C)C 333027440 AETVFAQEZXODOQ-OAHLLOKOSA-N 301.394 2.863 0 50 DFAA Cc1ccc(F)c(CCNC(=O)N2CC[C@@H](O)CC23CCC3)c1 333129451 ATTIQJKMYLIHFT-OAHLLOKOSA-N 320.408 2.766 0 50 DFAA O=C(NCCc1cnccn1)N1CCC[C@H]1/C=C/c1ccccc1 378591072 IAGHYYRFHVYVFS-BLGFXRMMSA-N 322.412 2.907 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@@H]1O 72117240 IGIDONYBEIMCPJ-CQDKDKBSSA-N 311.809 2.869 0 50 DFAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1nnc(C(C)(C)C)s1 282316340 SYPFQTKUADSUKW-UWVGGRQHSA-N 307.423 2.511 0 50 DFAA CCn1c(S[C@H](C)c2nccn2-c2ccccc2)n[nH]c1=O 286445142 FJNULMTVDGJSBX-LLVKDONJSA-N 315.402 2.630 0 50 DFAA O=C([C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21)N(C/C=C/c1ccccc1)CCO 426530418 LOQDSKREEGAJIK-AOOGXNTBSA-N 311.425 2.813 0 50 DFAA Cc1ccccc1[C@@H](C(=O)N(C)CCC1CCOCC1)N(C)C 221218195 ODJRBNKQHUHIJP-SFHVURJKSA-N 318.461 2.873 0 50 DFAA Cc1nc([C@@H]2CCCN2C[C@@H](O)c2ccc(C)c(C)c2)no1 229887258 MAPNHMFTZLRYQR-JKSUJKDBSA-N 301.390 2.865 0 50 DFAA CN1CC[C@@H](CNC(=O)N(C)CCCSc2ccccc2)C1 426612233 DLKBAMOZFJGASC-HNNXBMFYSA-N 321.490 2.762 0 50 DFAA CC(C)N1CCC(c2cn(CCOc3ccccc3)nn2)CC1 91645776 CGPZEWTZMYHHFC-UHFFFAOYSA-N 314.433 2.945 0 50 DFAA Cc1cc(C)n(CCCN(C)[C@H](C(=O)O)c2ccsc2)n1 95358006 MTCTXEQQKVNZIQ-AWEZNQCLSA-N 307.419 2.709 0 50 DFAA CC1(C)CN(Cc2cnc(-c3ccccn3)nc2)CC[C@]1(C)O 91770553 MWRZWYYLCUESRI-SFHVURJKSA-N 312.417 2.522 0 50 DFAA COc1ccc2c(c1)[C@@H](C(=O)NCC1=CCCCC1)CC(=O)N2 91325938 MZRKZVFXQAMREW-HNNXBMFYSA-N 314.385 2.738 0 50 DFAA COc1ccc(CCCCCC(=O)N2CC[C@@H](C(=O)O)C2)cc1 237207647 RBAONOROOABOJL-OAHLLOKOSA-N 319.401 2.731 0 50 DFAA CCc1ccccc1OC1CN(C(=O)c2cnn3ccccc23)C1 92061624 ANIZAZLMKPZSJN-UHFFFAOYSA-N 321.380 2.800 0 50 DFAA O=C(c1ccco1)N1CCC[C@@H](Nc2nnc(C3CCC3)o2)C1 95353420 OOGQBYMFGFVLIN-GFCCVEGCSA-N 316.361 2.647 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@@H](N)C[C@H]3C)co2)cs1 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O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1Cl 502471 ZLHBHSQWKMFYME-UHFFFAOYSA-N 307.758 2.685 0 50 DFAA COc1ccc(O[C@H](C)C(=O)NCc2ccc(F)cc2)cc1 514382 ZXPMNGXDLCXGIO-GFCCVEGCSA-N 303.333 2.918 0 50 DFAA CCCn1c2ccccc2c2nnc(SCCC(=O)O)nc21 616760 CCZIRUNHVBRLJF-UHFFFAOYSA-N 316.386 2.956 0 50 DFAA O=C(O)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1 2997872 DBSCCPNTPKUPDN-UHFFFAOYSA-N 318.329 2.651 0 50 DFAA O=C(c1cccs1)N1N=C(C2CC2)C[C@@]1(O)C(F)(F)F 4487729 WPBQCJUMRDCJRF-LLVKDONJSA-N 304.293 2.611 0 50 DFAA CC(C)c1nnc2c(NC[C@@H](C)CC(F)(F)F)nccn12 413534176 OTPKHLCCEJXBLW-VIFPVBQESA-N 301.316 3.248 0 50 DFAA CCSc1nnc(NC(=O)c2c(Cl)c(C)nn2C)s1 2778197 YQJPDAYOMGTXRV-UHFFFAOYSA-N 317.827 2.598 0 50 DFAA CCOc1ccccc1NC(=O)C(=O)NCC1CCCCC1 55558739 MGMAKFODGNYGHN-UHFFFAOYSA-N 304.390 2.720 0 50 DFAA O=c1cc([C@H]2CCCNC2)nc(-c2csc3c2CCCC3)[nH]1 23431587 XLWMRMSEQNOQSP-NSHDSACASA-N 315.442 2.844 0 50 DFAA CCC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59746250 KKLXKUOACLWTSW-CQSZACIVSA-N 320.408 2.983 0 50 DFAA 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CC(C)(O)CCc1ccc(C(=O)NC2(CO)CCCCC2)cc1 72436020 AGZPXOFFEQIKFV-UHFFFAOYSA-N 319.445 2.815 0 50 DFAA CN1CCC(CNC(=O)c2ccc(N3CCCCC3)cc2)CC1 174162065 UBEBRLVBQRHCKV-UHFFFAOYSA-N 315.461 2.749 0 50 DFAA c1ccc(-c2nccc(NC[C@H]3COc4ccccc4O3)n2)cc1 340595120 JOCUNRXNRWELEY-HNNXBMFYSA-N 319.364 3.396 0 50 DFAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)C1CCCC1 222482417 WGKBEJLYSKUCCM-IAGOWNOFSA-N 303.402 2.667 0 50 DFAA O=C(CC1CC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 223215061 JUZIYDIZTOVDHD-KJXMEXGPSA-N 310.397 2.963 0 50 DFAA CCc1nnc(CN(CC)C(=O)NC[C@H](C)c2ccccc2)o1 426420550 HUTYFRMHHQUSHQ-ZDUSSCGKSA-N 316.405 2.967 0 50 DFAA Cc1ccc(F)cc1CNC(=O)c1ccc(C)c(OCCN)c1 426414673 QDJYFMYRIMDBIS-UHFFFAOYSA-N 316.376 2.710 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)NCCc1ccc(F)cc1 426615069 GQDFLPHGIJKUCB-MRXNPFEDSA-N 308.397 2.969 0 50 DFAA Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H](CN)C2)s1 178514091 CCOGQLVESOIJIY-GFCCVEGCSA-N 301.415 2.539 0 50 DFAA COCCC1CCN(C(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1 91434267 KYONYBHGHJDXDD-GOSISDBHSA-N 318.461 2.873 0 50 DFAA CN(CCCc1nccn1C)C[C@@H]1CCOc2ccccc2C1 95522742 VJLYATXQTXJVID-MRXNPFEDSA-N 313.445 2.926 0 50 DFAA CCOCC1CCN(C(=O)[C@H](c2ccccc2F)N(C)C)CC1 95387471 VEQNYHRNTPSSTJ-KRWDZBQOSA-N 322.424 2.704 0 50 DFAA C[C@@H]1CCCCN1CCNC(=O)c1cnc2ccc(F)cc2c1 178940892 IBUYLVIIRURYAW-CYBMUJFWSA-N 315.392 2.978 0 50 DFAA Cc1ccccc1[C@@H]1CN(Cc2nccs2)C[C@H]1C(=O)O 91643465 HIQKDUCFSIJLDQ-UONOGXRCSA-N 302.399 2.752 0 50 DFAA COCc1cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)ncn1 97495091 KXHQYJMWURCFKJ-CQSZACIVSA-N 313.401 2.683 0 50 DFAA COc1cccc(CCNC[C@H](O)COc2cccc(C)c2)c1 96027661 MKRKUQFXVHCHNY-KRWDZBQOSA-N 315.413 2.576 0 50 DFAA C[C@]1(c2ccccc2)CCC(=O)N(CCC(=O)N2CCCC2)C1 92099793 HXCMYEBMOKUKMA-IBGZPJMESA-N 314.429 2.579 0 50 DFAA CC(C)c1ccccc1NC(=O)CCN1CCC[C@@H](CO)C1 244626630 FPLLACWIGWKBAZ-OAHLLOKOSA-N 304.434 2.843 0 50 DFAA CCc1cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)on1 243902088 BFVABIUEUMMXLU-CYBMUJFWSA-N 311.389 2.659 0 50 DFAA Cc1ncsc1C(=O)N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244900026 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DFAA O=C(NCC1CCN(C[C@H]2CCCOC2)CC1)c1ccccc1 952860151 GMSHLFSOGSGIHB-QGZVFWFLSA-N 316.445 2.555 0 50 DFAA CN(CC1(CO)CC1)C(=O)N[C@@H](c1ccccc1)c1ccco1 186846738 JMYWJDREEODIBS-INIZCTEOSA-N 314.385 2.783 0 50 DFAA OC[C@H]1C=C[C@@H](Nc2nc3ccccc3nc2N2CCCCC2)C1 277164810 FERWRGVHXFZZBR-LSDHHAIUSA-N 324.428 2.969 0 50 DFAA Cc1n[nH]nc1C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 189236959 JTHLQONBOAMQJT-UHFFFAOYSA-N 320.343 2.976 0 50 DFAA C[C@H](O)C1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190065954 YAHBLJYVUYCVHU-LBPRGKRZSA-N 301.390 2.803 0 50 DFAA COc1cccc(Cl)c1CNC(=O)Cc1c(C)noc1C 191857985 XACPLJXAZVWCGE-UHFFFAOYSA-N 308.765 2.812 0 50 DFAA CC(C)COc1ccccc1NC(=O)[C@H]1CCCCC(=O)N1 193866112 OSBHTSKFFVJVNF-CQSZACIVSA-N 304.390 2.719 0 50 DFAA O=C(c1cccc(C2CC2)c1)N1CCC(Cn2cnnc2)CC1 653903471 DIICKEGLBZBCAR-UHFFFAOYSA-N 310.401 2.708 0 50 DFAA O=C1COc2ccc(CN3CC(Cc4ccccc4)C3)cc2N1 656651882 QQTGRFSNVYZEPF-UHFFFAOYSA-N 308.381 2.692 0 50 DFAA O=C(C[C@H](c1ccc(O)cc1)C1CC1)N[C@H]1CC[C@@H](CO)CC1 585087201 NLHPDWJGUZPLFG-XCRHUMRWSA-N 317.429 2.943 0 50 DFAA C[C@H](NCc1cnc(Cl)n1C)[C@H](c1ccccc1)N(C)C 585091252 ZTECZBIUIJTRRK-SWLSCSKDSA-N 306.841 2.855 0 50 DFAA C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(F)nc1 585087375 CCYLXKOLZKBOEU-DGCLKSJQSA-N 322.380 2.803 0 50 DFAA O=C(COC[C@@H]1CCCO1)N(c1nc2ccccc2o1)C1CC1 585124584 IKZKELZCSMOYQX-ZDUSSCGKSA-N 316.357 2.519 0 50 DFAA Cc1nc(-c2cc(C(=O)N[C@H](C)c3ccn(C)n3)co2)cs1 1615002542 FGMXZLABWCCOOD-SECBINFHSA-N 316.386 2.936 0 50 DFAA Cc1cc(C)cc(OCCCN(C)CC[C@H]2COCCO2)c1 1775978022 AKEUEITXKDFEHR-KRWDZBQOSA-N 307.434 2.810 0 50 DFAA Cc1c(C)n(-c2ccncc2)c2ncnc(NCCCN(C)C)c12 5345144 DBBNZYSYWRSOTE-UHFFFAOYSA-N 324.432 2.796 0 50 DFAA O=C(Cc1ccccn1)N[C@H]1CCCN(C2CCCCCC2)C1 11821147 UCZIBMOEWVYGOW-KRWDZBQOSA-N 315.461 2.928 0 50 DFAA CC(C)N1CC[C@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 12581873 PDUVBSKDHKZION-OAHLLOKOSA-N 314.433 2.899 0 50 DFAA COc1ccc(C(=O)N2CCn3c2cc2ccccc2c3=O)cc1 150365792 PNZJNRLOJHYEPD-UHFFFAOYSA-N 320.348 2.671 0 50 DFAA biogenic Cc1cc(NC(=O)NC2CCC(C(F)(F)F)CC2)nn1C 123091275 WOBQKJIFTXHENK-UHFFFAOYSA-N 304.316 2.971 0 50 DFAA CC(C)c1cccc(O[C@@H](C)C(=O)N2CC[C@H](N)C[C@@H]2C)c1 236799199 HMCBFSARBFSDCD-DZKIICNBSA-N 304.434 2.916 0 50 DFAA NC(=O)[C@@H]1CCCC[C@H]1NCc1coc(-c2cccc(F)c2)n1 130948168 YXTSMUXFTDYZAK-HUUCEWRRSA-N 317.364 2.614 0 50 DFAA CC(=O)Nc1cccc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 245339018 PZDVNEQDBPUAAA-BRWVUGGUSA-N 302.418 2.890 0 50 DFAA Cc1nc(C)c(CCNC(=O)c2snc(O)c2Cl)s1 252499113 RVPZIEPYRLFVQL-UHFFFAOYSA-N 317.823 2.548 0 50 DFAA COCc1ccc(CN(C)C[C@]2(O)CCc3ccccc32)o1 843421098 OLWHJDUFDBRZKO-GOSISDBHSA-N 301.386 2.692 0 50 DFAA CN(C(=O)c1cc2c(s1)CCC2)[C@H](CO)Cc1ccccc1 855137598 SSJYHAHKNLCYTI-HNNXBMFYSA-N 315.438 2.912 0 50 DFAA Cn1cncc1CN1CC(Cc2cccc(Br)c2)C1 864087852 ZRUOLUVTSUMBFI-UHFFFAOYSA-N 320.234 2.857 0 50 DFAA Cc1cc(-c2noc([C@@H]3CCOC4(CCC4)C3)n2)cc(=N)[nH]1 1875286356 RMZMLSQSHLNDOD-LLVKDONJSA-N 300.362 2.669 0 50 DFAA Cn1nccc1-c1ccnc(NCC(C)(C)c2ccncc2)n1 1875275744 FQHZUZJEPBSYDV-UHFFFAOYSA-N 308.389 2.662 0 50 DFAA O=C(c1c[nH]cc(F)c1=O)N1CCC(c2ccc(F)cc2)CC1 1875261366 IEOJAKYCGNCQMX-UHFFFAOYSA-N 318.323 2.673 0 50 DFAA F[C@]1(c2ccccc2)C[C@@H]1Nc1ncnc2c1nnn2C1CC1 1875392323 UBWFGGGLLKQSHY-LRDDRELGSA-N 310.336 2.605 0 50 DFAA CCCC(=O)OCc1cccc(S[C@H]2CCN(C)C2=O)c1 888093422 LFPKPHVMHQYQKU-AWEZNQCLSA-N 307.415 2.853 0 50 DFAA C[C@H]1NCCC[C@@H]1C(=O)Nc1ccc(Oc2ncccn2)cc1 888102582 FYLLMLLZYTWHBX-DOMZBBRYSA-N 312.373 2.596 0 50 DFAA Cc1cc(Nc2cnn(CC(C)C)c2C2CC2)nc(CO)n1 1776002343 JDBVWYDLGMGTMB-UHFFFAOYSA-N 301.394 2.751 0 50 DFAA C[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1 34796 UGLJUNYHYBZBAO-LLVKDONJSA-N 320.439 2.796 0 50 DFAA Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1C 5516184 RVLAODMJYPBQQJ-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCSCC2)c(C(=O)O)c1 2325812923 RPVDMLWYKJYRFK-JQWIXIFHSA-N 320.414 2.533 0 50 DFAA CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 100537742 HACGAUBPDCHCOP-VIRABCJISA-N 301.342 2.575 0 50 DFAA O=C(Nc1cccnc1)c1cccc(C(=O)Nc2cccnc2)c1 44204 XCHDYYIPUWNLTN-UHFFFAOYSA-N 318.336 2.981 0 50 DFAA Cc1ccc(S(=O)(=O)NC[C@@H]2OCCc3ccccc32)cc1 168943 HJEJCCAALGFDTE-KRWDZBQOSA-N 317.410 2.587 0 50 DFAA C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 193299 VFXNKINWQFISSJ-CHWSQXEVSA-N 322.364 2.549 0 50 DFAA COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccco3)C2)cc1OC 522050 ZGLPIKOKBZISBL-CQSZACIVSA-N 314.341 2.994 0 50 DFAA O=C(C1Cc2ccccc2C1)N1CCC(OC(F)(F)F)CC1 2356161718 GOSJUAAPSVNUDK-UHFFFAOYSA-N 313.319 2.929 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 3453250 GQDYSZIWTZRWQI-UHFFFAOYSA-N 309.362 2.703 0 50 DFAA CC(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 6725544 PWLDUFNUHWNUHT-UHFFFAOYSA-N 314.307 2.902 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)CCc1cccnc1)C(C)C 55252651 GZBVASVLXCVHAX-UHFFFAOYSA-N 314.433 2.802 0 50 DFAA Cc1nnc2ccc(N3CCC(Cc4ccccc4)CC3)nn12 20745270 IKAOAZGOOQVYJT-UHFFFAOYSA-N 307.401 2.892 0 50 DFAA CCCCN(Cc1ccco1)C(=O)[C@@H](C)Cn1nc(C)nc1C 55393109 KZZSQEHYZLIVRQ-ZDUSSCGKSA-N 318.421 2.953 0 50 DFAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)C)ccc1F 102289082 SIMDRUQIZZWJKS-MUJYYYPQSA-N 304.409 2.933 0 50 DFAA Cc1noc([C@H]2CCN(Cc3cc4ccccc4nc3O)C2)n1 344830275 ODMZMAJHLZMMOX-ZDUSSCGKSA-N 310.357 2.621 0 50 DFAA COc1ccc(C(C)C)cc1CN1CCC2(CC1)CNC(=O)C2 65374301 FMVMPJXGKYIOML-UHFFFAOYSA-N 316.445 2.921 0 50 DFAA Cc1cc(Br)cc(C(=O)N[C@H](C)[C@@H](C)CO)c1 134957445 KNUNJESXURARSZ-VHSXEESVSA-N 300.196 2.504 0 50 DFAA CC(C)COc1ccc(Cl)cc1C(=O)N1CCN(C)CC1 25557573 YOLTYYFHMILWFE-UHFFFAOYSA-N 310.825 2.762 0 50 DFAA Cc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccn1 248888703 ANHSCVCCYGHMIS-IRXDYDNUSA-N 310.401 2.957 0 50 DFAA O=C(Nc1cnc2n1CCCC2)c1cnn(Cc2ccccc2)c1 67697355 JTBWCAUSILWMNT-UHFFFAOYSA-N 321.384 2.717 0 50 DFAA COc1ccc(F)cc1CN1CC[C@H](CNC(=O)C=C(C)C)C1 67872349 GKHYEHWFAQXNNN-CQSZACIVSA-N 320.408 2.739 0 50 DFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 910093 CVKBYFCJQSPBOI-UHFFFAOYSA-N 305.355 2.582 0 50 DFAA biogenic COc1ccc(-c2cc(-n3cccn3)ncn2)c(-n2cccn2)c1 32592867 KSXPOIIOYDXNAW-UHFFFAOYSA-N 318.340 2.524 0 50 DFAA COc1cc(C)c(S(=O)(=O)Nc2ccc(CO)cc2)c(C)c1 315733918 WUIHBTICMPFRMZ-UHFFFAOYSA-N 321.398 2.605 0 50 DFAA O=C(O)[C@@]1(Cc2ccccc2F)CCCN(c2ncccn2)C1 71770987 DCGQUDGUSLJEEE-QGZVFWFLSA-N 315.348 2.530 0 50 DFAA CC1=C(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)CCCO1 367323577 DMHCFYXGUNRGTO-LJQANCHMSA-N 315.413 2.624 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)[nH]1 331618041 QUOCSBQYBQCIPY-IUODEOHRSA-N 320.339 2.858 0 50 DFAA Cc1[nH]ccc1C(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 370340295 KKAGZNRRTMHLGR-KRWDZBQOSA-N 318.804 2.796 0 50 DFAA COc1cccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1F 374384420 HWJRKFIEZWKJIU-MRXNPFEDSA-N 319.380 2.503 0 50 DFAA CCC(CC)(CNC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)O 236889722 AKOICDXXYZQJGN-UHFFFAOYSA-N 306.337 2.928 0 50 DFAA O=C(Cc1noc2ccccc12)NCc1nc2ccccc2o1 215539114 RUWLDZYUPQJQRD-UHFFFAOYSA-N 307.309 2.828 0 50 DFAA C[C@H](c1cccs1)n1cnc2sc3c(c2c1=O)CCNC3 77472598 BDTKPPVRRBCBEE-SECBINFHSA-N 317.439 2.775 0 50 DFAA O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccsc1 174096112 IIXLYOUGPSQHSE-UHFFFAOYSA-N 301.371 2.920 0 50 DFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](C)c1cnc[nH]1 426707318 ZXGKBJQVGMSTMC-SNVBAGLBSA-N 300.337 2.758 0 50 DFAA Cc1nccn1CC[C@H](NC(=O)c1cnco1)c1ccccc1 220368715 JJBQFAVOVRLULX-HNNXBMFYSA-N 310.357 2.741 0 50 DFAA CC1(C)CC[C@H](c2nc(-c3cnc(C4CC4)nc3N)no2)O1 289087192 NMZOVELIVOWDEH-SNVBAGLBSA-N 301.350 2.616 0 50 DFAA Cc1noc(C)c1C(=O)N(C)Cc1cccc(-n2cccn2)c1 220079742 HHUNYRMBUZWQHU-UHFFFAOYSA-N 310.357 2.749 0 50 DFAA O=C(O)c1ccc(C(=O)NCc2ccccc2-n2cccn2)cc1 177965774 LNKPLYHEEVGJQQ-UHFFFAOYSA-N 321.336 2.501 0 50 DFAA CCn1ccnc1CN(C)C(=O)[C@H]1CCOc2ccccc2C1 97347386 NKIDWBAETMHFMD-HNNXBMFYSA-N 313.401 2.503 0 50 DFAA CN(Cc1cccc(O)c1)C(=O)[C@H](c1ccccc1F)N(C)C 95391298 GOECWDRTBDOORJ-KRWDZBQOSA-N 316.376 2.793 0 50 DFAA COc1cc(F)c(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1F 162586477 VMCXCUSLSNBYPC-MRVPVSSYSA-N 324.331 2.758 0 50 DFAA CN1CCCN(C/C=C/c2ccc(F)cc2)CC12CCNCC2 97515217 IZAOCOQJSSFZEN-DUXPYHPUSA-N 317.452 2.599 0 50 DFAA CC(=O)c1ccc(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)s1 299773648 GTAZQTBYHCUIGT-QMMMGPOBSA-N 307.375 2.948 0 50 DFAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)CCCn1cccn1 299797174 MOOXXKGVXHHMPF-CYBMUJFWSA-N 301.365 2.948 0 50 DFAA O=C1CCN(CCCc2ccccc2)CCN1Cc1cccnc1 299796385 NKKYAKVIEUTBMT-UHFFFAOYSA-N 323.440 2.749 0 50 DFAA C/C=C/CN1CCC[C@@H](CNC(=O)COCc2ccccc2)C1 820394977 TUXDFOXZAOAHFR-DCKQQPRJSA-N 316.445 2.608 0 50 DFAA COCC1(C(=O)N(C)CCc2nc3ccc(Cl)cc3[nH]2)CC1 584894437 WXEBGQFBALZEFW-UHFFFAOYSA-N 321.808 2.644 0 50 DFAA COc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C3)C2)c(OC)c1 1074606176 GJKKQNAIUCRZRC-KBPBESRZSA-N 303.402 2.895 0 50 DFAA CCNC(=O)c1cc(NC(=O)[C@@H](C)N2CCCC2)ccc1Cl 952984104 ZXEWUQQWZYYZJP-LLVKDONJSA-N 323.824 2.513 0 50 DFAA COc1ccc(CC(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc1 888088901 WUFRFRIWXLTIPM-SJLPKXTDSA-N 316.445 2.618 0 50 DFAA CN(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 95495666 NMJWPHNWHMPBOP-INIZCTEOSA-N 312.369 2.742 0 50 DFAA in-vitro CN(Cc1ccccn1)C(=O)[C@@H](CN1CCCC1)c1ccccc1 408517222 CULYUFZWOUOVHQ-IBGZPJMESA-N 323.440 2.920 0 50 DFAA c1ccc(CN2CCC[C@H]3CN(c4cnccn4)CC[C@H]32)cc1 268807510 GIFYVXWVIATAFK-ZWKOTPCHSA-N 308.429 2.968 0 50 DFAA CC(C)c1nc(C(=O)N2CCc3ccccc3[C@@H]2CO)cs1 185716210 NQGLFDROHAGBPJ-HNNXBMFYSA-N 316.426 2.998 0 50 DFAA COc1ccc2c(c1)OCCN([C@@H](C(=O)O)c1ccsc1)C2 652446763 XIFYEBPZJDTZQW-OAHLLOKOSA-N 319.382 2.777 0 50 DFAA CCCOc1ccc(CNC(=O)N(C)[C@@H]2CCOC2)c(C)c1 195578719 WQGJNESADKFFHN-OAHLLOKOSA-N 306.406 2.714 0 50 DFAA CN(C)[C@H](C(=O)N[C@H]1CC[C@@H](CO)CC1)c1ccc(Cl)cc1 654916367 WCRKSMRSKUZCRL-MAZHCROVSA-N 324.852 2.610 0 50 DFAA CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H](C(=O)O)C1 659228805 PMCYIQDZHQOHAF-DBIOUOCHSA-N 307.312 2.677 0 50 DFAA FC(F)(F)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1c1nc(-c2cccnc2)no1 1615552236 SPUGBGDXOHBBND-CHWFTXMASA-N 311.263 2.955 0 50 DFAA Cc1cnccc1-c1ccc(C(=O)N2CCOC[C@@H]2C)s1 1615626946 IWDWEZPFRQDHRG-LBPRGKRZSA-N 302.399 2.979 0 50 DFAA Cc1nnc(CN2CCCN(Cc3cccs3)CC2)s1 1529191862 HAKPPSWAYJUDNQ-UHFFFAOYSA-N 308.476 2.616 0 50 DFAA COc1ncccc1CN(Cc1ccncc1)C[C@@H]1CCCO1 1506417390 JCMAZSMOJVBJGB-KRWDZBQOSA-N 313.401 2.666 0 50 DFAA CN(Cc1cccc2cccnc12)C(=O)c1cc(O)ccc1N 1506420636 NZBWBTCRUBHGOQ-UHFFFAOYSA-N 307.353 2.795 0 50 DFAA COc1ccccc1/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O 275099 ZTJFKQQFWJRIQF-JYRVWZFOSA-N 323.304 2.768 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)C[C@@H](C)N1CCCCCC1 1529118500 LNJCDXVKVRQOSA-CYBMUJFWSA-N 306.454 2.884 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc3cc[nH]c3c2)s1 1529169027 QOMSWJQQPBBQJJ-QMMMGPOBSA-N 302.359 2.979 0 50 DFAA Cc1ccc2c(NCCN3CCC[C@H](CO)C3)ccnc2c1C 1529111916 ABBDHDZRCNJXIJ-INIZCTEOSA-N 313.445 2.968 0 50 DFAA CCNC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704325744 QKBQAMIOEIDUJM-UHFFFAOYSA-N 313.401 2.761 0 50 DFAA O=C(N[C@@H]1CCCSC1)c1sncc1Br 1616185513 GEQVMHAAEYXABK-ZCFIWIBFSA-N 307.238 2.531 0 50 DFAA CC(C)c1ccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 12383015 BLYNVAYGLDLIIS-AWEZNQCLSA-N 304.434 2.788 0 50 DFAA CCN(CC)c1ncccc1CNCc1cccc2c1OCO2 12718846 ZUILBKWJTBBIDR-UHFFFAOYSA-N 313.401 2.946 0 50 DFAA Cc1cc(C)c(NC(=O)N2CC[S@@](=O)C(C)(C)CC2)c(C)n1 459580908 LPFJWCBMJAQBGK-JOCHJYFZSA-N 323.462 2.772 0 50 DFAA CCCc1csc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 121267026 BXLCIFTZLXNWKY-KGLIPLIRSA-N 317.414 2.875 0 50 DFAA O=C(O)c1cccc(CNC(=O)c2csc(C3CC3)n2)c1 121208047 AYVAQKXGUOBNAE-UHFFFAOYSA-N 302.355 2.649 0 50 DFAA CCCn1nc(C)c(C(=O)N2CC[C@H](OC)C(C)(C)C2)c1C 456135050 HBJXRFSZBZQETI-AWEZNQCLSA-N 307.438 2.797 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1ccccc1C)C2 248162830 PVUACVUMOOACJL-WMZOPIPTSA-N 300.446 2.870 0 50 DFAA COc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1F 16447742 HNUMZLHNBGBWFO-PHIMTYICSA-N 301.383 2.501 0 50 DFAA COC1(C(=O)N2CC[C@H](c3cccc(C)c3)C2)CCOCC1 375219103 PFZZDOADUOQADL-INIZCTEOSA-N 303.402 2.507 0 50 DFAA COc1ccccc1-c1cn(Cc2nc3c(o2)CCCC3)nn1 900545725 GLZRKOCNRVFUPI-UHFFFAOYSA-N 310.357 2.869 0 50 DFAA CC(C)(CC(F)(F)F)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 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CCOc1ncccc1CN(C=O)Cc1cc(F)ccc1OC 1875325062 HKLCYGAZJXBVBP-UHFFFAOYSA-N 318.348 2.787 0 50 DFAA O=C(C[C@@H]1CCC2(CCC2)CO1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 899172432 CCOSLAGUUISMCJ-QAETUUGQSA-N 321.461 2.878 0 50 DFAA O=c1c2sccc2ncn1Cc1ccc2nsnc2c1 32516040 KSVMAGGJMGUETM-UHFFFAOYSA-N 300.368 2.511 0 50 DFAA CCCCCNC(=O)c1cc(Br)cc2nn[nH]c12 2325699979 ORPUXWPBACYNDI-UHFFFAOYSA-N 311.183 2.640 0 50 DFAA COc1cccc([C@H](NC[C@H](O)CC(C)(C)O)C(C)(C)C)c1 2325760468 MHGTUJCLNWLPRZ-ZBFHGGJFSA-N 309.450 2.894 0 50 DFAA COC(=O)[C@@H](C(=O)NCc1ccc(Cl)cc1)C1CCCC1 312674 YFJDBKPBFUPBHN-CQSZACIVSA-N 309.793 2.936 0 50 DFAA CCOc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl 527228 HDEBZAPBHQWZKC-UHFFFAOYSA-N 310.733 2.869 0 50 DFAA S=C(NC[C@@H]1CCCO1)Nc1cc(-c2ccccc2)n[nH]1 529068 PIJOAAVAYWMCHK-LBPRGKRZSA-N 302.403 2.542 0 50 DFAA CCOC(=O)C(=CNc1ccccc1OCC)C(=O)OCC 2950447 JJGKPHDKPXUUOM-UHFFFAOYSA-N 307.346 2.507 0 50 DFAA COc1cc(CNC(C)(C)c2nc(C)no2)c2c(c1)C[C@@H](C)O2 341261535 UTLYAYMZMRUCRK-SNVBAGLBSA-N 317.389 2.735 0 50 DFAA CCOc1ccc(NC(=O)c2cccc(-n3cnnc3)c2)cc1 6702485 MFJLFMHFAMPMDE-UHFFFAOYSA-N 308.341 2.918 0 50 DFAA O=C(Nc1ccccc1F)N1CCN(Cc2ccco2)CC1 6729269 VIQHVRRYTRFOKE-UHFFFAOYSA-N 303.337 2.768 0 50 DFAA O=S1(=O)NN=C(c2ccccc2F)c2cc(Cl)ccc21 21729828 PJKVASQKJMGBAG-UHFFFAOYSA-N 310.737 2.523 0 50 DFAA COc1ccccc1Cc1nnc(NC(=O)c2ccco2)s1 9426460 JOHWNRGADFVQLQ-UHFFFAOYSA-N 315.354 2.983 0 50 DFAA Cc1cc(C)n(CCCN(Cc2cnn(C)c2)CC(C)C)n1 55197580 COIPBCFFBBCWBF-UHFFFAOYSA-N 303.454 2.782 0 50 DFAA C[S@](=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 227364093 LSXJLBKQORPLOW-JTVJFQFKSA-N 322.430 2.503 0 50 DFAA Cc1ccc(CCNC(=O)Nc2nc(C)n(C(C)C)n2)s1 55119747 HKHYVKNYDSJJOD-UHFFFAOYSA-N 307.423 2.902 0 50 DFAA CCc1c(C(=O)N2CCC[C@@H](CNC(C)=O)C2)csc1C 67447372 OONMMFKNSIFCBY-ZDUSSCGKSA-N 308.447 2.607 0 50 DFAA COCc1cc(CNC(=O)c2c(C)c(C)cc(C)c2C)n[nH]1 67817268 TXGZCIJTELKUPE-UHFFFAOYSA-N 301.390 2.720 0 50 DFAA COC1([C@H](C)NCCCNC(=O)c2cccs2)CCCC1 421841898 KCSIGSUISGOORC-ZDUSSCGKSA-N 310.463 2.805 0 50 DFAA Cc1nc(-c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)n[nH]1 354023451 CHUBMKWWRFVILF-UHFFFAOYSA-N 318.340 2.909 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 252512071 MBGIRFLIQOWPNP-ZENOOKHLSA-N 307.777 2.767 0 50 DFAA COCC1(NC(=O)c2cc(-c3ccccc3)n(C)n2)CCCC1 216150665 YXOGCFVWOBKCEM-UHFFFAOYSA-N 313.401 2.776 0 50 DFAA CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC12CCNCC2 70253466 ANKKNXOAPCOIHY-GFCCVEGCSA-N 307.825 2.734 0 50 DFAA Cn1ccnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 328586322 ZAUBTCIXXACLRT-CHWSQXEVSA-N 311.376 2.952 0 50 DFAA c1coc([C@@H](CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)N2CCCC2)c1 120965136 XCQBZYCBMOUNSM-MVJTYMMSSA-N 316.445 2.964 0 50 DFAA COc1cc(F)c(F)cc1NC(=O)[C@H]1COc2ccccc2O1 355435482 AJDUBWDHEOSJRD-OAHLLOKOSA-N 321.279 2.752 0 50 DFAA Cc1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)on1 328616415 BPXDSJMEWHBGMM-LLVKDONJSA-N 305.403 2.940 0 50 DFAA COc1c(C)cnc(CN2CC[C@@]3(CCCO3)CCC2=O)c1C 71754296 FKSUPZJNVGBCBK-GOSISDBHSA-N 318.417 2.769 0 50 DFAA O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C(=O)O)nc1 238053664 LXIZDNYDVZYFJU-ZJUUUORDSA-N 316.279 2.631 0 50 DFAA C[C@@H](O)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 153585209 MMYMTDGCRCVOQW-LDYMZIIASA-N 324.730 2.966 0 50 DFAA O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@@H]1CO 153863651 SRDLXIIRAUKUHV-HZSPNIEDSA-N 324.218 2.536 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 72131878 DYSJYXVKMGKXSL-CQSZACIVSA-N 303.381 2.863 0 50 DFAA CCc1cccc(C)c1NS(=O)(=O)c1cn(CC)c(C)n1 330582104 LDBLWURULGAQFK-UHFFFAOYSA-N 307.419 2.883 0 50 DFAA O=C(CCCc1ccc(Cl)cc1)NCCc1cnccn1 77378320 UXDOSLWNDHKBBM-UHFFFAOYSA-N 303.793 2.812 0 50 DFAA CCC1=C(C(=O)N2CC[C@](CO)(c3ccccc3)C2)CCCO1 368291990 SUBHQYRYDGHFKM-IBGZPJMESA-N 315.413 2.624 0 50 DFAA O=C(Cn1ccnc1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71715062 JMLZNYBGAVXCCV-MRXNPFEDSA-N 315.392 2.894 0 50 DFAA O=C([C@@H]1C[C@@]12CCNC2)N1CCC(Cc2cccc(F)c2)CC1 444156960 NEIGWXSMFFJVSA-PKOBYXMFSA-N 316.420 2.606 0 50 DFAA CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H](CNC)C1 236889979 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2.907 0 50 DFAA COc1cc(SC)ccc1NC(=O)NCCC1(O)CCC1 285285527 QVLTUZAQFQOJCN-UHFFFAOYSA-N 310.419 2.844 0 50 DFAA COc1cccc(F)c1C(=O)NCCCn1ccnc1C(C)C 221343769 IFJFOARKWUJADU-UHFFFAOYSA-N 319.380 2.974 0 50 DFAA COc1ccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1 44672036 QNEDOVHNMVYCRS-UHFFFAOYSA-N 311.316 2.833 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)NCc1cccnc1 41095665 TYALXKFHGMLMSK-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA CC(C)n1cc(CNC(=O)[C@H](c2ccccc2F)N(C)C)cn1 221370858 ZMKGFCDCLJPIIV-INIZCTEOSA-N 318.396 2.522 0 50 DFAA COCCNCCOc1ccc(C)cc1-c1cccnc1OC 426399232 NSJPVYZDABSJRC-UHFFFAOYSA-N 316.401 2.680 0 50 DFAA O=C(O)[C@H]1C=CCN1C(=O)CSC12CC3CC(CC(C3)C1)C2 426494498 YVBJAPRRXRLZDW-DLUQRMLASA-N 321.442 2.540 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239073278 GVYPEOMHGUHARS-LBLXLQPISA-N 321.760 2.810 0 50 DFAA CCCn1nc(Cc2ccccc2OC)nc1C1(COC)CC1 96136670 RMPUITYLULTJFM-UHFFFAOYSA-N 315.417 2.966 0 50 DFAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 95362028 OTAOXOLVEWPHMZ-MRXNPFEDSA-N 310.353 2.800 0 50 DFAA COc1ccc2c(C(=O)NCC(C)(C)OC)cc(C)nc2c1 426382939 QKKFMSNTRMHOJN-UHFFFAOYSA-N 302.374 2.707 0 50 DFAA CO[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)cc2C)C1 97514434 HYEMCSFZKBFWKL-LLVKDONJSA-N 300.305 2.849 0 50 DFAA OCC[C@H]1CCCN1Cc1cnn(-c2cccc(Cl)c2)c1 97570916 CFDMWLPMKPQLEH-OAHLLOKOSA-N 305.809 2.873 0 50 DFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1cnc[nH]1 426707317 ZXGKBJQVGMSTMC-JTQLQIEISA-N 300.337 2.758 0 50 DFAA CC[C@@]1(CO)CCCN(C(=O)C2CCN(C3CCCC3)CC2)C1 91548410 YWVOAXIMHVBXJN-LJQANCHMSA-N 322.493 2.652 0 50 DFAA CC1(C)C[C@H](C(=O)NCCN2CCCc3ccccc32)CCO1 97505482 RSCOVKBATMUGAP-MRXNPFEDSA-N 316.445 2.761 0 50 DFAA CCc1nsc(NC2CCN(C(=O)c3ccccc3)CC2)n1 180967661 BVNRTAPVTGLOGS-UHFFFAOYSA-N 316.430 2.817 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC[C@@H]4N(CCO)CC[C@@]43C)[C@H]1CC[C@@H]2O 247722564 BSIXKFWZOQKKGU-GWETXUJWSA-N 307.478 2.657 0 50 DFAA biogenic Cc1c(C(=O)N2CCC[C@@H](CC(=O)O)CC2)cnn1C(C)(C)C 299743900 MPSCIRQALJQHNE-CYBMUJFWSA-N 321.421 2.664 0 50 DFAA CC1(C)[C@@H](NS(=O)(=O)C[C@@H]2CCCCO2)[C@@H]1c1ccccc1 625351933 GTDQTPBFZOFRLE-JYJNAYRXSA-N 323.458 2.667 0 50 DFAA CC1=NN(c2ccc(C(=O)Nc3n[nH]c(C4CCC4)n3)cc2)CC1 184577326 ZOVSOQQAFFLVLU-UHFFFAOYSA-N 324.388 2.911 0 50 DFAA CC[C@@H](NC(=O)Cc1cnc2c(C)cccn12)c1cccnc1 534661900 LKGGPHBZAAPLGG-MRXNPFEDSA-N 308.385 2.848 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)N2Cc3ccccc3C3(CC3)C2)n[nH]1 184948958 IHKWVRCMXMSYKB-ZDUSSCGKSA-N 324.428 2.906 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)NCc2cscn2)c1 534583254 VBJKGALGHOONNR-GFCCVEGCSA-N 304.419 2.619 0 50 DFAA C[C@H](NC(=O)CN(C)C1CCCC1)c1nc2ccccc2[nH]1 299783123 GRPFKDCSDGSYQX-LBPRGKRZSA-N 300.406 2.615 0 50 DFAA CCn1nc(C)c([C@H](C)NC(=O)c2ncc(F)cc2F)c1C 299757957 LQZARYCSWGGTFQ-QMMMGPOBSA-N 308.332 2.684 0 50 DFAA Cc1ccc2ncc(C(=O)Nc3cc(C(=O)O)ccc3F)n2c1 390822255 HZJOTEVEJKOEHV-UHFFFAOYSA-N 313.288 2.732 0 50 DFAA Cc1cc(NC(=O)N2CC[C@H](CN)C2)n(C2CCCCC2)n1 299784932 IKTOSSXIEDAVQH-CYBMUJFWSA-N 305.426 2.509 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(CN2CCCC2)o1 828166509 UBOWRUSELBSDHI-LLVKDONJSA-N 316.405 2.706 0 50 DFAA CCCc1nc(N2CCC[C@@H](c3nc(C(C)C)no3)C2)no1 670467585 IXYURICYPLILAS-LLVKDONJSA-N 305.382 2.913 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCCCn2ccnc2C(C)C)n1 952984081 NNHIRZCKWOTZDQ-OAHLLOKOSA-N 303.454 2.888 0 50 DFAA Cn1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1-c1ccccc1 629770245 LRJZOJIHQQRJFT-YXJHDRRASA-N 310.397 2.678 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1 187669870 BRNDZUNRFLLPKA-DZGCQCFKSA-N 313.394 2.621 0 50 DFAA Cc1cc(C(F)(F)F)nn1Cc1nnc([C@@H]2CCCOC2)o1 643651691 MLFNUIFWUOOXCB-SECBINFHSA-N 316.283 2.536 0 50 DFAA O=C(CCc1nccs1)N1CCC(c2cccnc2)CC1 678147927 BUQKRXYJFWKNPC-UHFFFAOYSA-N 301.415 2.877 0 50 DFAA O=C(NCCCCCCNC(=O)C(F)(F)F)[C@H]1CC=CCC1 585089641 UVTQVFMEDMJWJL-LBPRGKRZSA-N 320.355 2.698 0 50 DFAA CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)C1CCOCC1 194622942 YBOHRQKZTLWXKH-KSFYIVLOSA-N 323.458 2.524 0 50 DFAA COc1cccc(S(=O)(=O)N[C@H]2CCc3cc(C)ccc32)c1 684570988 BVDIWIXYXPNWFC-KRWDZBQOSA-N 317.410 2.969 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 765816244 XRNKSLXUCDZBCS-OAHLLOKOSA-N 315.421 2.540 0 50 DFAA Cc1nc([C@@H](C)N(C)C(=O)CCc2ccnn2C)c(C)s1 1506396381 HPSOOOALUZKANY-SNVBAGLBSA-N 306.435 2.646 0 50 DFAA COc1cccc(C(=O)Nc2nnc([C@H](C)OC)s2)c1OC 1529141918 STEQEEIQYMUBTM-QMMMGPOBSA-N 323.374 2.515 0 50 DFAA Cc1csc([C@H](C)Nc2cncc(C(=O)N3CCCC3)n2)n1 1529189497 OXHVRTUWSRZYHT-NSHDSACASA-N 317.418 2.651 0 50 DFAA CCc1cnc(N)nc1NC[C@@H](c1sccc1C)N(C)C 1772704370 LUKSARBWULUTFN-LBPRGKRZSA-N 305.451 2.706 0 50 DFAA COC(=O)CCCC(=O)N1CCO[C@H](CC2CCCCC2)C1 12373392 YHIVUCLZMJZHSZ-OAHLLOKOSA-N 311.422 2.528 0 50 DFAA O=S(=O)(Cc1noc([C@H]2CC23CCC3)n1)c1ccccc1 19145388 PDJKTFAPQNTOOQ-GFCCVEGCSA-N 304.371 2.701 0 50 DFAA COc1cccc(C[C@H]2CN(Cc3cccc(C)n3)CCO2)c1 19790914 YUYDFAULLCLWNN-IBGZPJMESA-N 312.413 2.842 0 50 DFAA Oc1cc(F)c(I)cc1Br 166998271 KULAGISEJYGLKB-UHFFFAOYSA-N 316.895 2.898 0 50 DFAA Cc1nc2ncccn2c1-c1nc(CCc2ccccc2)no1 200551630 NUBHKMZYPRTJQY-UHFFFAOYSA-N 305.341 2.873 0 50 DFAA COc1ccc(Cl)cc1CC(=O)N[C@@H]1CCCC[C@@H]1CO 230183707 IBZJPHDRIGDHQX-BXUZGUMPSA-N 311.809 2.558 0 50 DFAA O=C(NC1C[C@H]2C[C@@H]2C1)c1nc(C2CC2)ncc1Br 333635940 WNOZIJXUOOCYRO-RKDXNWHRSA-N 322.206 2.645 0 50 DFAA Cc1nc(-c2ncccn2)sc1C(=O)O[C@H](C)CC(C)(C)O 253425644 VMVBFSXCAITBRT-SECBINFHSA-N 321.402 2.615 0 50 DFAA COc1cc(C)c(NC(=O)[C@H]2CCCC(=O)N2C)c(C)c1C 908192953 VLQRUMQIJBEMHJ-CYBMUJFWSA-N 304.390 2.570 0 50 DFAA O=C(Nc1cncc(Cl)c1)N1CCO[C@H](c2ccco2)C1 932117829 WQTRHLRDSQYMPY-ZDUSSCGKSA-N 307.737 2.933 0 50 DFAA COCCc1csc(NCCc2ccc3c(c2)OCCO3)n1 952875480 RWALSIQODXXWRX-UHFFFAOYSA-N 320.414 2.758 0 50 DFAA Cc1cnn([C@H]2CCN(C[C@H]3COC4(CCCCC4)O3)C2)c1 952880434 KJPKSJMYGMYQJH-HOTGVXAUSA-N 305.422 2.514 0 50 DFAA Cc1cccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c1C 1875297151 DYTMQXCWSQWDRZ-YPMHNXCESA-N 313.401 2.979 0 50 DFAA C[C@@H]1CCCC[C@H]1N1CCC2(CC1)NC(c1ccco1)=NO2 1875392333 WAMTYKPWOMWNOE-ZIAGYGMSSA-N 303.406 2.932 0 50 DFAA CC(C)c1ccccc1[C@H](C)NC(=O)[C@H]1CCN2CCOC[C@@H]12 1875312241 JECKEQMRPMVNCC-WBAXXEDZSA-N 316.445 2.708 0 50 DFAA COc1ccc(-c2cc(C(=O)N[C@H]3CCCOCC3)no2)cc1 879392773 YVZSUAWEJZQYSI-ZDUSSCGKSA-N 316.357 2.649 0 50 DFAA Cc1nc([C@H]2OCC[C@H]2CNc2nc3cc(F)ccc3o2)n[nH]1 888094457 ROFGRUVDMWHYQG-ZANVPECISA-N 317.324 2.583 0 50 DFAA O=C1CC[C@H](C(=O)NC2(CC(F)(F)F)CC2)n2cccc21 888092710 BHJCZHZFKRTJHL-SNVBAGLBSA-N 300.280 2.607 0 50 DFAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccnn1C1CCC1 892226185 UALWVCWUJBKUKP-MRXNPFEDSA-N 315.421 2.522 0 50 DFAA C[C@]1(CO)CCN1C(=O)Nc1cccc(OC(F)(F)F)c1 1775989994 HPLYHZPIWOULIS-GFCCVEGCSA-N 304.268 2.574 0 50 DFAA CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Cn3ccnc3)C2)cs1 1776006782 VNWLNIJEJMTTSV-TXEJJXNPSA-N 318.446 2.846 0 50 DFAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(C2CC2)n(C)[nH]1 2325782102 YUEWMSHEANRHSW-UHFFFAOYSA-N 305.769 2.720 0 50 DFAA O=C([C@H]1CCc2nccn2C1)N1CCc2oc3ccccc3c2C1 2325783516 CBSOEQYYLMDZOU-ZDUSSCGKSA-N 321.380 2.777 0 50 DFAA COc1ccccc1CNC(=O)Cc1ccc(OC)c(OC)c1 298973 BQDVEOONGYMQQU-UHFFFAOYSA-N 315.369 2.571 0 50 DFAA COc1ccc(CCNC(=S)NCCc2ccccc2)cc1 306718 OZNDEDIZYCVSPR-UHFFFAOYSA-N 314.454 2.945 0 50 DFAA CCC1=NN(C(=O)c2cccc(C)c2O)[C@@](O)(C(F)(F)F)C1 352179 RAFHGQWFPMFTJS-ZDUSSCGKSA-N 316.279 2.563 0 50 DFAA COc1ccc(NC(=O)CNC(=O)c2cccs2)cc1Cl 1067120 BWQGXXHJWUUTNI-UHFFFAOYSA-N 324.789 2.779 0 50 DFAA COc1cc(S(=O)(=O)NC2CCCC2)c(OC)cc1Cl 1068474 YGDNELYQHOJQQK-UHFFFAOYSA-N 319.810 2.578 0 50 DFAA CCOC(=O)C(Cc1c(C)[nH]c2ccccc12)C(=O)OCC 1683963 SDGHKFATACOZPG-UHFFFAOYSA-N 303.358 2.761 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)C(=O)c3ccccc32)cc1 1980795 RHHZFCDDVHICAO-LBPRGKRZSA-N 308.337 2.552 0 50 DFAA CCOc1ccc(Nc2nc3ccccc3n3nnnc23)cc1 4885763 WJGBHWYNWNWXRV-UHFFFAOYSA-N 306.329 2.815 0 50 DFAA COc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 6697485 PAHPHNQZVFLFOF-UHFFFAOYSA-N 303.406 2.787 0 50 DFAA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNCc1ccccc1 55554978 KNFNQAOCZBDWJY-AWEZNQCLSA-N 323.396 2.540 0 50 DFAA Cc1cc(CNc2ccc(C(N)=O)c(N3CCCCC3)c2)no1 459543594 PGGFCPZLRATFNT-UHFFFAOYSA-N 314.389 2.684 0 50 DFAA C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cnn2c1CCCC2 133000668 UNKBMOXUPWKHFE-SMDDNHRTSA-N 319.430 2.523 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 100396418 RHQNHNCJJDZFBL-HUUCEWRRSA-N 313.353 2.709 0 50 DFAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cn(C)nn1 342315735 NLYZYVQWIBVLIN-UHFFFAOYSA-N 311.320 2.577 0 50 DFAA CN(CCc1ccccc1)[C@@H]1CCCN(CC(C)(C)CO)C1 20999683 CBEXKQVLOJJGLK-GOSISDBHSA-N 304.478 2.644 0 50 DFAA CC[C@@H](CO)N(Cc1cnn(CC)c1)Cc1ccccc1C 55169061 RPPHMKYRBISSOS-SFHVURJKSA-N 301.434 2.985 0 50 DFAA C[C@@H](Cn1cncn1)NCc1nc2cc(C(C)(C)C)ccc2o1 67909483 ILQNUPDLBMITTK-LBPRGKRZSA-N 313.405 2.895 0 50 DFAA Cc1ccc(N2C[C@H](c3nnc(N)s3)CC2=O)cc1Cl 20204049 RJTQSULJHIPADR-MRVPVSSYSA-N 308.794 2.603 0 50 DFAA COc1ccccc1OCc1cc(C(=O)NCCC(C)C)n[nH]1 67954524 WLBBJUNJRVVNMK-UHFFFAOYSA-N 317.389 2.773 0 50 DFAA O=C1NCCN(C/C=C/c2ccco2)[C@H]1c1ccc(F)cc1 65373197 BERWEAXFUUEIQK-VQRJYJFOSA-N 300.333 2.605 0 50 DFAA Cc1cccc(-n2nc(C)nc2-c2nc3ccccc3[nH]c2=O)c1 67934861 GYAHKMHKSUMYOT-UHFFFAOYSA-N 317.352 2.788 0 50 DFAA CCN(CC)C(=O)NC(=O)c1c(C)cc(Cl)nc1Cl 108050 CUJLGFJAOCGYQT-UHFFFAOYSA-N 304.177 2.888 0 50 DFAA CCC[C@@]1(CO)CCN(C(=O)[C@H]2CCc3cccc(OC)c32)C1 356139975 NMWILNUKUKQUGS-HNAYVOBHSA-N 317.429 2.736 0 50 DFAA Cc1nccc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1Cl 121453436 GBTXMTOVCHNCRL-ZFWWWQNUSA-N 317.776 2.823 0 50 DFAA O=C(c1ccnnc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 253416395 QGVPPHMKTOPZRD-CABCVRRESA-N 315.373 2.578 0 50 DFAA Cc1ccc([C@@H](OC[C@@H](O)Cn2ccnn2)c2ccccc2)cc1 328596031 OLPAVLJCORNTCC-OALUTQOASA-N 323.396 2.754 0 50 DFAA NC(=O)c1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)cc1 328635769 VCHYOYIBXAFFNC-QZTJIDSGSA-N 310.397 2.653 0 50 DFAA Cc1ccc(OCC(=O)N2CCC([C@@H]3CCOC3)CC2)cc1 363752366 MJEYNJNAGRBBFP-MRXNPFEDSA-N 303.402 2.649 0 50 DFAA CC(C)[C@@H]1CN(Cc2cccnc2N)CCCN1CC1CC1 71768084 WVSQUUDSVGDQQQ-KRWDZBQOSA-N 302.466 2.606 0 50 DFAA Cn1ncc2c(NCC[C@@H]3CCCOC3)nc(C(C)(C)C)nc21 72141933 UKMFZWXGSTUXDY-LBPRGKRZSA-N 317.437 2.889 0 50 DFAA CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 448660944 MHOGKTWTCXXEOY-LALPHHSUSA-N 309.431 2.656 0 50 DFAA O=S(=O)(NCC(F)F)c1ccc2c(c1)Cc1ccccc1-2 241124133 JFWFINWTSJOXHT-UHFFFAOYSA-N 309.337 2.801 0 50 DFAA CN(C(=O)CCc1cccs1)[C@@H](Cc1ccccc1)C(=O)O 263420228 ISHUNQFRBSQHRI-HNNXBMFYSA-N 317.410 2.835 0 50 DFAA Cc1cnn(C)c1CNc1cccc(N2CCOC2=O)c1C 286724483 XJELVDKLCVHHOB-UHFFFAOYSA-N 300.362 2.606 0 50 DFAA Cn1cnc2c(C(=O)NC3(c4ccccc4)CCC3)ccnc21 287476777 WNWTXPBGUVMBSX-UHFFFAOYSA-N 306.369 2.778 0 50 DFAA O=C(c1ccc(-c2cccc(-c3cc[nH]n3)c2)o1)N1CCOCC1 19635342 XVIIEUBSBOLFHE-UHFFFAOYSA-N 323.352 2.809 0 50 DFAA CN(C/C=C/c1ccccc1)C(=O)NC[C@@H]1CCCCN1C 426517674 UQESGEUZUYOBBQ-YRYLYKBFSA-N 301.434 2.826 0 50 DFAA Cc1cc(C)n([C@H]2CCN(c3nccc(-c4ccccn4)n3)C2)n1 97775723 WANYFMQMBLHOBB-HNNXBMFYSA-N 320.400 2.803 0 50 DFAA O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc(O)ccc1Cl 290836536 NHNZDBRWTNKHTN-UHFFFAOYSA-N 321.764 2.915 0 50 DFAA CC1(C)C[C@H](c2cn(Cc3ccc(C(=O)O)s3)nn2)CCO1 95383286 UORDERPTHFOCJP-SNVBAGLBSA-N 321.402 2.759 0 50 DFAA CC(C)CN(Cc1ccco1)C(=O)C[C@H]1CN(C(C)C)CCO1 97742686 KAPXTJRLMMSDBZ-KRWDZBQOSA-N 322.449 2.764 0 50 DFAA CC[C@H](CC(=O)N1C[C@@H](OC)C[C@@H]1C(=O)O)c1ccc(C)cc1 236926367 RYRKOUJDRNICKN-VNQPRFMTSA-N 319.401 2.579 0 50 DFAA O=C(CN1CCN2CCC[C@H]2C1)Nc1cccc2ccccc12 239173865 OVSPCMSKANEODD-INIZCTEOSA-N 309.413 2.558 0 50 DFAA C[C@@H](C(=O)Nc1ccc2c(c1)CCNC2=O)c1ccsc1 617271615 LAURSRZETIRRBB-SNVBAGLBSA-N 300.383 2.776 0 50 DFAA CN1C[C@@H](c2ccccc2)CC12CCN(C1CCNCC1)CC2 95497033 JMIRQFVJAJOHNM-SFHVURJKSA-N 313.489 2.692 0 50 DFAA CCCc1nc(C(=O)N2C[C@@H](CCC)[C@H](C(=O)O)C2)cs1 91966680 AQNMXMOLSKWMJG-GHMZBOCLSA-N 310.419 2.669 0 50 DFAA O=C(CCSCc1ccccc1)N1CCc2[nH]cnc2C1 95386237 MICVLIHONISDOL-UHFFFAOYSA-N 301.415 2.618 0 50 DFAA CCc1ccc(-c2cn(CCCc3nnc4ccccn34)nn2)o1 91486867 YUBMHUAAWMLYET-UHFFFAOYSA-N 322.372 2.776 0 50 DFAA CCSc1nc2ccc(NC(=O)N3CCC[C@@H]3CO)cc2o1 96149408 PBJJVNHEPVWRLC-LLVKDONJSA-N 321.402 2.928 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 298544287 DCBOGSVZQAYGIX-SMDDNHRTSA-N 318.352 2.610 0 50 DFAA CN(C[C@H]1CCOC1)C(=O)Cc1csc(-c2ccccc2)n1 267410229 KIUAZQGOYUKQIB-CYBMUJFWSA-N 316.426 2.848 0 50 DFAA CCc1ocnc1C(=O)NC[C@@H](c1cccc(C)c1)N(C)C 534590080 FXPFTAWUBSMROK-AWEZNQCLSA-N 301.390 2.578 0 50 DFAA O=C(Nc1cccc(-c2cnco2)c1)N1CCC[C@@H](CO)C1 299784123 ZBMCRSWLHVLZDY-GFCCVEGCSA-N 301.346 2.578 0 50 DFAA Cc1nonc1C(=O)NCC1(c2ccccc2F)CCCC1 299771925 XXJDBZZYNXBQKG-UHFFFAOYSA-N 303.337 2.759 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)n1 299792825 HAQKGYPHLFHXFV-LLVKDONJSA-N 321.808 2.606 0 50 DFAA CNc1nc(NCC2CCN(C3CCCC3)CC2)ncc1F 824090542 NSVLWHXXVPSXFS-UHFFFAOYSA-N 307.417 2.724 0 50 DFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1ccc2nc(O)[nH]c2c1 827688905 SSAYSGLSONFGOP-QGZVFWFLSA-N 319.364 2.988 0 50 DFAA COCCN1CCC(c2nc(C)nn2-c2ccc(F)cc2)CC1 824413158 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Cc1nocc1CNc1nc(C(F)(F)F)ccc1C(=O)O 397932974 VSTTYPFDCYAWEV-UHFFFAOYSA-N 301.224 2.707 0 50 DFAA Fc1cnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cn1 952994803 SMIFRSWRTRINBD-UHFFFAOYSA-N 315.274 2.742 0 50 DFAA NC(=O)[C@@H]1CN(c2c(F)cncc2Cl)C[C@H]1c1ccccc1 1875286881 KXKPSWRFCYSMRV-NWDGAFQWSA-N 319.767 2.579 0 50 DFAA CCOc1ccc(CN(C=O)CCc2c(C)noc2C)cc1 1875325127 ICNOBUCNCQHBCS-UHFFFAOYSA-N 302.374 2.891 0 50 DFAA Cc1ccc(-c2cn(CCCCNC(=O)[C@H]3C[C@@H]3C)nn2)cc1 1875323377 GFHFHRWDVACZQP-HOCLYGCPSA-N 312.417 2.806 0 50 DFAA Cc1cccc2cc(OC[C@H]3C[N@@]3Cc3cnn(C)c3)cnc12 1875379219 OGWQMAZXGBNJSR-OPAMFIHVSA-N 308.385 2.540 0 50 DFAA NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 617274 NHUADKYBYROTHJ-MRVPVSSYSA-N 316.188 2.723 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)c2ccc3ccn(C)c3n2)no1 2100473629 PREIDPOTIHSLCM-OAHLLOKOSA-N 310.357 2.847 0 50 DFAA CC(C)(C)c1nc(COC(=O)c2cc(O)nc(C3CC3)n2)co1 2325807053 WWNCXZGIOJYTJA-UHFFFAOYSA-N 317.345 2.702 0 50 DFAA Cc1ccc(N2CCN(c3cc(C(F)F)ncn3)CC2=O)cc1 893809841 BUODIMYWKRYHSR-UHFFFAOYSA-N 318.327 2.576 0 50 DFAA CC1=CCCN(C(=O)c2ccc(NCc3cnn(C)c3)cc2)C1 907951952 RPGGSHWWPXDZPS-UHFFFAOYSA-N 310.401 2.824 0 50 DFAA COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 96520 VDZZZOBGIZHNHT-NSHDSACASA-N 304.173 2.921 0 50 DFAA COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1 211637 HXRAAJRMRUFZAB-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA COc1cc(NC(=O)Cc2cccs2)c(C(=O)O)cc1OC 258189 HJIRMBCDMYOXQI-UHFFFAOYSA-N 321.354 2.645 0 50 DFAA CC(C)(C)c1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1 358970 KGERPXJMQSKGSJ-UHFFFAOYSA-N 322.364 2.925 0 50 DFAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cccc3ccccc13)C2 2356152468 KTQRZKQVYUWHHP-KXBFYZLASA-N 311.381 2.575 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](NCc3cccc(F)c3)C2=O)cc1 101362029 KLSDQVXYSMFXFY-INIZCTEOSA-N 312.344 2.556 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@H]2C[C@H]2C2CC2)c1 134561141 NGNZYPSEFIQGNN-KBPBESRZSA-N 314.414 2.849 0 50 DFAA CCc1nc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 67769687 JEPSDDHOHVIIJB-UHFFFAOYSA-N 315.352 2.793 0 50 DFAA CSC[C@@H]1CCCN1CC(=O)Nc1ccc(C(C)=O)cc1 135488486 VOAAJALERBBINP-HNNXBMFYSA-N 306.431 2.655 0 50 DFAA NC(=O)c1ccc(Oc2cccc(CN3CCCC3)c2F)nc1 67846709 UJQYLCYCIYCKAJ-UHFFFAOYSA-N 315.348 2.708 0 50 DFAA CO[C@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2C1 348663984 NIHROUZOPANEOB-BBRMVZONSA-N 310.353 2.786 0 50 DFAA Cc1nccn1[C@H](C)C(=O)N(C)Cc1ccc(-n2cccn2)cc1 67833399 SAWKLKANEQKSCM-CQSZACIVSA-N 323.400 2.597 0 50 DFAA CC(=O)c1cnc2nc(-c3ccccc3)nn2c1/C=C/N(C)C 66324809 RFZQKZBHDHYIJU-MDZDMXLPSA-N 307.357 2.526 0 50 DFAA O=C(c1ccc(Cl)s1)N(CCCO)Cc1ccccn1 280459158 IJRATKODKIFCHX-UHFFFAOYSA-N 310.806 2.821 0 50 DFAA COC(=O)CC(C)(C)C(=O)N1CC=C(c2ccc(O)cc2)CC1 252487286 HTXBNQATVVWIRW-UHFFFAOYSA-N 317.385 2.597 0 50 DFAA CCS[C@@H]1CC[C@H](N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 253369717 HFULYPPGIHIJNA-REWJHTLYSA-N 305.509 2.606 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)CC(=O)N(C)C2 72447245 SNDHQZAZVGGRBA-UHFFFAOYSA-N 318.417 2.796 0 50 DFAA C[C@H]1CC[C@@]2(CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)C2)C1 328623100 IWCNQGANZWBFIH-KMANFZQXSA-N 317.433 2.536 0 50 DFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1coc2ccccc12 356239958 BFPJIVZRZCDBEN-RHSMWYFYSA-N 300.402 2.728 0 50 DFAA O=C(c1ccc2oc(O)nc2c1)N1CCCc2cccc(O)c21 362999716 AFKSXHLWVJWFSJ-UHFFFAOYSA-N 310.309 2.832 0 50 DFAA Cc1ccc2[nH]c(CCC(=O)NC[C@@H]3CCCCO3)nc2c1C 216943449 FTKKYZTZMLWXQH-AWEZNQCLSA-N 315.417 2.798 0 50 DFAA Cc1c(C(=O)NC[C@H]2CCC[C@@H](CO)C2)cnn1CCC(C)C 360639213 MIBPUYSTFJVUCC-JKSUJKDBSA-N 321.465 2.766 0 50 DFAA CSCCN1CCN(Cc2cccc([C@@H](C)N(C)C)c2)CC1 216124397 YAWQMCJEBREGLC-MRXNPFEDSA-N 321.534 2.790 0 50 DFAA Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(N)=O)c1C 72117278 ZXNMVGGFXBQHMG-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CC1(N)CCC1 237530537 NHZRQMKDQOZVER-CKEIUWERSA-N 302.418 2.635 0 50 DFAA O=C(CCCc1cccs1)NCc1ccc2[nH]c(=O)[nH]c2c1 184479274 ZKQLIKXFOBCHEZ-UHFFFAOYSA-N 315.398 2.557 0 50 DFAA Cc1occc1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 378139371 XBXIANQXYAEFHX-SFHVURJKSA-N 317.360 2.794 0 50 DFAA CCc1nc(N2CCC[C@@H](C(=O)O)C2)c2cc(C)sc2n1 41090689 UJEBKDXFBWNMFJ-SNVBAGLBSA-N 305.403 2.863 0 50 DFAA O=C(CCc1cnccn1)N[C@@H]1CCCOc2c(F)cccc21 242338946 ZDTFZTLFYNVVAR-OAHLLOKOSA-N 315.348 2.578 0 50 DFAA CCCc1nc(C)c(CNC(=O)CCn2ccnc2C)s1 220732512 WFDJRZNXARBJKO-UHFFFAOYSA-N 306.435 2.615 0 50 DFAA CC(C)(C)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 285122888 KCSUIBDZQOEFLP-UHFFFAOYSA-N 301.346 2.831 0 50 DFAA COC[C@H]1CN(C(=O)c2cc3c(F)cccc3[nH]2)CC(C)(C)O1 285559473 RFFNZWCKHPLGLQ-LLVKDONJSA-N 320.364 2.573 0 50 DFAA CCn1ncc(CN(C)C(=O)Nc2cc(C)nn2C(C)C)c1C 426496619 CCPDPQVKXIOGBB-UHFFFAOYSA-N 318.425 2.961 0 50 DFAA CN1CC[C@@H](NCc2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 263563223 DFCKPTFUNSQGHY-QZTJIDSGSA-N 310.397 2.920 0 50 DFAA COc1ccc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)o1 82137808 IXNKFZYOJBKMPU-AWEZNQCLSA-N 316.357 2.505 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc2c(=O)[nH]ccc2c1 617836265 UKWJPSYLMCUOQI-JTQLQIEISA-N 324.384 2.621 0 50 DFAA CCc1nc2ccccc2n1CCC(=O)N(C)C1CCOCC1 426727591 ZRTHSUSEHFXMPQ-UHFFFAOYSA-N 315.417 2.626 0 50 DFAA CCCn1cc(C(=O)NC[C@@H](c2ccc(C)o2)N(C)C)c(C)n1 91562936 JGZYDZUBJAKZJX-HNNXBMFYSA-N 318.421 2.536 0 50 DFAA OC1CCN(c2ccnc(-c3cc(F)cc4cccnc34)n2)CC1 426666925 BYNLBZWQOSORQM-UHFFFAOYSA-N 324.359 2.792 0 50 DFAA Cc1[nH]nc2c1CN(C(=O)N[C@H](C)c1ccc(F)cc1)CC2 426401867 MBPAZQBNPQGTEV-SNVBAGLBSA-N 302.353 2.686 0 50 DFAA CCCCn1nc(C2CCCC2)nc1CN1CCC[C@H](O)C1 96132277 ZTGGWVPOALWYMO-HNNXBMFYSA-N 306.454 2.693 0 50 DFAA O=C1CCC[C@H](Cc2nc(-c3ccc(Cl)cc3F)no2)N1 293235177 FAYLPLLLHLAQFQ-SECBINFHSA-N 309.728 2.740 0 50 DFAA COc1cccc2c1OC[C@@H](C(=O)N(C)C1CCSCC1)C2 91713391 XCKCJCUTSNFGAT-ZDUSSCGKSA-N 321.442 2.600 0 50 DFAA CN(CCN1C[C@H]2CC[C@@H]1C2)Cc1ccc(-n2cccn2)cc1 240499936 NPEMMOZNCTVTEM-PKOBYXMFSA-N 310.445 2.788 0 50 DFAA CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1ccnc(N2CCCC2)c1 181458909 AZRKEYBDWOKALM-JQHSSLGASA-N 315.461 2.975 0 50 DFAA COc1cccc(CNC(=O)N2Cc3cccc(OC)c3C2)c1 623335242 CKOGXYSMHDIYHI-UHFFFAOYSA-N 312.369 2.929 0 50 DFAA Fc1ccc(CN2CCCN(CCCn3ccnc3)CC2)cc1 182618366 JDVFADUUCKZVSQ-UHFFFAOYSA-N 316.424 2.620 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](N)C1 299749221 JMTGVUYXOWVDHE-DZKIICNBSA-N 302.418 2.876 0 50 DFAA NC(=O)[C@H](c1ccccc1)N1CC[C@H](Oc2cccc(F)c2)C1 183400068 BFFAGANKJIQJNF-IRXDYDNUSA-N 314.360 2.505 0 50 DFAA Cc1csc(SCC(=O)N[C@@H](c2nccn2C)C(C)C)n1 299784808 POFPDUFWGPJCCX-GFCCVEGCSA-N 324.475 2.791 0 50 DFAA O=C(NCCOc1cccc2cccnc12)c1cncc(F)c1 826630334 ZQRDYAHTAKXORF-UHFFFAOYSA-N 311.316 2.578 0 50 DFAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc2cccnc2n1 1350249140 WSJCKQSPJZBYQY-UHFFFAOYSA-N 307.309 2.653 0 50 DFAA O=Cc1cc(Cl)c(I)nc1Cl 66054373 UWBIGQSFURXXAZ-UHFFFAOYSA-N 301.898 2.806 0 50 DFAA in-vitro CC[C@H](c1cccnc1)N(C)C(=O)c1c(C)cc(C)n(C)c1=O 952974752 WXFMWWYPYKQCSO-OAHLLOKOSA-N 313.401 2.620 0 50 DFAA CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)s1 408490334 AFXDEOHMXZTLLZ-ZETCQYMHSA-N 323.386 2.506 0 50 DFAA CC(C)N(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 170330166 QUSIEZNJHAAXOU-UHFFFAOYSA-N 310.397 2.740 0 50 DFAA COc1cccc([C@@H](C(=O)O)N(C)Cc2scnc2C)c1 634691438 HBGIBOYJOBPSMB-AWEZNQCLSA-N 306.387 2.718 0 50 DFAA COc1cc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)ccc1F 190886791 XYJXLNGCYADADE-UHFFFAOYSA-N 321.304 2.706 0 50 DFAA CC(C)(C)CN(C(=O)COC[C@H]1CCCO1)c1ccccn1 585125546 WWAHIQIZFKDRGT-CQSZACIVSA-N 306.406 2.656 0 50 DFAA Cc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)o1 585123755 DNJWVRQYYPUADV-GJIOHYHPSA-N 315.251 2.880 0 50 DFAA CC(C)Cn1ncnc1CN1CCC[C@@]1(C)C(=O)OC(C)(C)C 585123429 DLMHUSVDGQSROO-KRWDZBQOSA-N 322.453 2.630 0 50 DFAA CC[C@@H]1C[C@H](C(=O)NC2(c3ccccc3)CCCC2)CC(=O)N1 680347541 PBQLTWSKEFVVKI-GOEBONIOSA-N 314.429 2.877 0 50 DFAA O=C(NC1CCC(O)(c2cccc(F)c2)CC1)[C@@H]1CC1(F)F 1615044266 IHUCJCRKGLZHAR-OWYJLGKBSA-N 313.319 2.727 0 50 DFAA OCCN(Cc1ccc2cc(Cl)ccc2n1)Cc1ncc[nH]1 1704333680 CZEWGHKRULFSLM-UHFFFAOYSA-N 316.792 2.606 0 50 DFAA NCCc1nnc(N2CCC[C@H](c3ccc(Cl)cc3)C2)o1 1772711048 WAGGTZSFABOIKJ-LBPRGKRZSA-N 306.797 2.608 0 50 DFAA O=C1C[C@H](NCc2ccsc2)CN1C1Cc2ccccc2C1 11843162 KAXGAWQFYVRIDA-INIZCTEOSA-N 312.438 2.606 0 50 DFAA CN(C)c1ncccc1CNCc1cccn1-c1nccs1 12713933 NHRBFEGNNDYIIT-UHFFFAOYSA-N 313.430 2.685 0 50 DFAA CC[C@H](Oc1cc(C)ccc1Cl)C(=O)N1CCN(CC)CC1 13326583 HTNIFMSWLZIPGX-HNNXBMFYSA-N 324.852 2.970 0 50 DFAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccncc1 14568032 HXEITZOCFUROJN-UHFFFAOYSA-N 309.369 2.960 0 50 DFAA O=C(CNC(=O)c1cccc(F)c1)Nc1ccccc1Cl 15408654 SXUWYOBSBNUHHD-UHFFFAOYSA-N 306.724 2.848 0 50 DFAA CN1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 16626887 YHSDZKXETGMHHC-UHFFFAOYSA-N 309.413 2.733 0 50 DFAA COc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 6009131 WMHWWJGWNQYWFG-UHFFFAOYSA-N 318.336 2.784 0 50 DFAA COc1ccc(S(=O)(=O)NC2CCCCCC2)c(OC)c1 6699865 OXADLBDGRPMSMR-UHFFFAOYSA-N 313.419 2.705 0 50 DFAA Cn1c(SCc2cn3ccccc3n2)nnc1-c1ccccn1 6700509 ABGVCMIJNIWXSJ-UHFFFAOYSA-N 322.397 2.817 0 50 DFAA O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccco2)CC1 4976231 FOVKSYJGIQNDMJ-UHFFFAOYSA-N 316.332 2.910 0 50 DFAA CC[C@@H](C)NC(=O)COCc1cc(-c2ccc(F)cc2)on1 6876408 QKQKBNDFDQOWCL-LLVKDONJSA-N 306.337 2.912 0 50 DFAA CS(=O)(=O)c1ccc(-c2nccn2[C@H]2CCSC2)cc1 1875245691 MEFGTYGNQPODHK-LBPRGKRZSA-N 308.428 2.632 0 50 DFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c(F)c1F 101100633 LMJMKTJBFNFKMO-JDYBYMESSA-N 311.259 2.565 0 50 DFAA Cc1cc(N)n(-c2cc(N3CCC[C@@H]3c3ccccc3)ncn2)n1 225459098 SKNUQCVPNFSPCJ-OAHLLOKOSA-N 320.400 2.894 0 50 DFAA CC1(C)CC[C@@H](C(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)O1 429255236 GZAKUDOBFUFIJS-LBPRGKRZSA-N 321.327 3.251 0 50 DFAA Cc1cc(NC(=O)C[C@H]2COC(=O)C2)ccc1C(F)(F)F 123507700 CONAKPHTOQPIFY-SECBINFHSA-N 301.264 2.906 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1CN[C@H](C)c1ccccn1 658194510 ISTQHDVUDYTMSB-IJEWVQPXSA-N 300.406 2.726 0 50 DFAA COC[C@H](C)CNc1ccc2nnc(-c3ccccc3F)n2n1 140425919 SJULMWRSTVXHTC-LLVKDONJSA-N 315.352 2.625 0 50 DFAA CCCn1ncc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)c1C1CC1 360625382 LWWGIPIEZVHEFK-UONOGXRCSA-N 319.449 2.699 0 50 DFAA CC(C)(C)n1cnc(C(=O)Nc2ccccc2-c2cc[nH]n2)n1 585126591 CKUBOELWSZCPPB-UHFFFAOYSA-N 310.361 2.676 0 50 DFAA Cc1nccc(N2CCN(c3ccc(F)cc3Cl)CC2)n1 161834767 NXQDTXTXSGKDMZ-UHFFFAOYSA-N 306.772 2.904 0 50 DFAA CCc1ccc2occ(C(=O)N[C@@H]3C(=O)OCC3(C)C)c2c1 819776269 AINZPCQMUUMVRZ-CQSZACIVSA-N 301.342 2.677 0 50 DFAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1CCn2cccc2C1 928959737 VRHOMTXESFNXCV-CQSZACIVSA-N 324.302 2.583 0 50 DFAA CCc1nc2n(n1)CCC[C@H]2n1c(C)cc(C(=O)O)c1C1CC1 1875269460 XWYMSJNCYPNYAG-CYBMUJFWSA-N 314.389 2.909 0 50 DFAA CC(C)O[C@@H](CN(C)C(=O)/C=C/CN(C)C)c1ccccc1 1875378672 IYVKVTLPZFXYQJ-KQPPXVQYSA-N 304.434 2.729 0 50 DFAA Cc1c(C(=O)N2CCC(C)(C)[C@H](c3ccccc3)C2)nnn1C 887581062 MTAJRSMQEHJFMY-HNNXBMFYSA-N 312.417 2.779 0 50 DFAA O=S(=O)(NC1([C@@H]2CCCCO2)CC1)[C@H]1C[C@H]1c1ccccc1 2325819266 SMTSUTGLFFAYNN-JYJNAYRXSA-N 321.442 2.564 0 50 DFAA CN(C)[C@H](CN=c1ccc2ncccc2[nH]1)c1ccc(F)cc1 2325855872 SAPOZOZBLVQMHK-QGZVFWFLSA-N 310.376 2.906 0 50 DFAA Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 124050 BDSOKWRTLVKFSL-KRWDZBQOSA-N 322.364 2.902 0 50 DFAA COc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c1 240324 TWWIVCBPXLHKHS-HOCLYGCPSA-N 301.386 2.786 0 50 DFAA COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2ccccc21 472562 CZKMJMUQBPZCBM-UHFFFAOYSA-N 322.364 2.957 0 50 DFAA Cc1ccc2cccc(S(=O)(=O)n3nc(C)cc3C)c2n1 613191 LEWLMDYUEBAULC-UHFFFAOYSA-N 301.371 2.594 0 50 DFAA COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 2944901 BXYDRXXLNSREMP-HOTGVXAUSA-N 311.337 2.690 0 50 DFAA COc1ccncc1Cn1nc(C(F)(F)F)c2cnccc21 341348105 WAZFXLZOPVEWJD-UHFFFAOYSA-N 308.263 2.902 0 50 DFAA C[C@@H]1CN(c2ccc(CNC[C@@H]3CC=CCC3)cn2)CCO1 221954348 NKBDTTSRIDJNGP-HZPDHXFCSA-N 301.434 2.753 0 50 DFAA CN(C)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100634239 NHQBWSFVQPEGTC-KGLIPLIRSA-N 304.777 2.775 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C12CCC2 245316763 KOPMZFWPHXIMGB-FRRDWIJNSA-N 320.389 2.604 0 50 DFAA Cc1nccn1CCOC(=O)c1ccc(-n2cccc2)c(F)c1 225544021 JOZKNFJKYBBNFU-UHFFFAOYSA-N 313.332 2.978 0 50 DFAA Cn1cc(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21 9422973 UWTACHBFOZMNBO-UHFFFAOYSA-N 317.348 2.771 0 50 DFAA CN(C[C@H]1CCCNC1)C(=O)CCSCc1ccc(F)cc1 65375881 RQAMRDFPCUBZHZ-HNNXBMFYSA-N 324.465 2.907 0 50 DFAA COCc1c(C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)noc1C 101911078 CKYBZGCYUFFLOV-LVEBTZEWSA-N 304.390 2.780 0 50 DFAA CCOc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 10112200 AUHINTYLJHWSHE-UHFFFAOYSA-N 307.371 2.895 0 50 DFAA Oc1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cn1 350795919 NYNXJRIRARUCEH-SECBINFHSA-N 316.342 2.812 0 50 DFAA COC(=O)c1ccc(N2CC[C@@](F)(c3ccccc3C)C2)nn1 253394782 DSYSJYLLALOYEX-KRWDZBQOSA-N 315.348 2.647 0 50 DFAA CCc1nn(C)c(CC)c1CN1CC2(CCNCC2)C[C@@H]1C 424384195 UXEZVOJKQOZTNB-AWEZNQCLSA-N 304.482 2.509 0 50 DFAA O=c1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c2ccccc12 142586145 GRZJXDPEMYZRPV-UHFFFAOYSA-N 321.361 2.803 0 50 DFAA CC[C@H](O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 32587296 HDVRHCFDUSSSLT-LBPRGKRZSA-N 300.383 2.896 0 50 DFAA COc1ccc([C@]2(C)OC(c3ccncc3)=NN2C(C)=O)cc1 4770456 AETJVOJKDPHBPC-KRWDZBQOSA-N 311.341 2.503 0 50 DFAA Cc1ocnc1C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 121767224 GFDZMBVMDDFVTE-CYBMUJFWSA-N 312.329 2.963 0 50 DFAA COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc3cn[nH]c3c1)C2 149519413 VQDKAZWRDCDQCW-ZDUSSCGKSA-N 323.352 2.761 0 50 DFAA CON(C(=O)CCc1cnn(C)c1)[C@H](C)c1ccccc1C 328593654 TWKWPRXKOYQWCN-CQSZACIVSA-N 301.390 2.812 0 50 DFAA Cn1ccnc1CN(C[C@]1(c2ccccc2)CCOC1)C1CC1 215235717 QPIMPFQQWJYZOT-LJQANCHMSA-N 311.429 2.743 0 50 DFAA Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)nn1 332136467 PWLMOHNFDODOQO-UHFFFAOYSA-N 303.406 2.739 0 50 DFAA O=C(CCCc1cn[nH]c1)N[C@H]1CC[C@H]1NC1CCCCCC1 72468174 WNDUNTIANDFOKH-SJORKVTESA-N 318.465 2.692 0 50 DFAA COc1ccc(C)cc1CCNC(=O)C[C@@H](N)c1ccccc1 237191182 VSZAXTGOJKDMPB-QGZVFWFLSA-N 312.413 2.752 0 50 DFAA CC[C@@H](C)N(CC(=O)O)C(=O)c1ccc(-n2ccc(C)n2)cc1 262185162 PEMXNYNRLGEGIV-CYBMUJFWSA-N 315.373 2.506 0 50 DFAA O=C1CCC[C@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 334137400 ZLBBAUJULQCBEF-NXOAAHMSSA-N 313.397 2.856 0 50 DFAA CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccnc2)cc1 373283201 ZZNDITIDVBXUPP-INIZCTEOSA-N 302.399 2.827 0 50 DFAA CCn1nnc(C)c1CN[C@H](COC)c1cccc(Cl)c1 449327079 BNVAUEQMFUXPRN-CQSZACIVSA-N 308.813 2.737 0 50 DFAA COC[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CC(C)(C)O1 285591127 TZZAOPIRAGDQFY-CYBMUJFWSA-N 320.364 2.573 0 50 DFAA CC(C)c1cc(CNC(=O)[C@H]2CCc3ccccc3O2)on1 221155739 XKHTZFXLEIDQBU-MRXNPFEDSA-N 300.358 2.808 0 50 DFAA CC(C)N1C[C@@H](C(=O)N2CCC[C@@H]3C[C@H](C)CC[C@H]32)CC1=O 241316878 LVQOKUQKOUTODW-LVQVYYBASA-N 306.450 2.671 0 50 DFAA Cc1ncsc1CCC(=O)NCc1noc(C2CCCC2)n1 82146971 UPPXJLIZFCORAV-UHFFFAOYSA-N 320.418 2.741 0 50 DFAA CC(=O)NCCc1nc(-c2ccnc(C(F)(F)F)c2)cs1 289845352 FCFYDGPBMCAQJS-UHFFFAOYSA-N 315.320 2.903 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)NCCn1cc(Cl)cn1 91691615 GDUGFTROWUYJBU-CYBMUJFWSA-N 303.793 2.773 0 50 DFAA CC(C)=CCN1CC2(CCN(Cc3nccs3)CC2)CC1=O 91677025 KZYJFNAXJZKDCN-UHFFFAOYSA-N 319.474 2.924 0 50 DFAA CC(C)c1nn(C)cc1-c1noc(CCc2cscn2)n1 293008344 LXPZQHCOWOZMKD-UHFFFAOYSA-N 303.391 2.835 0 50 DFAA O=C(NCc1ccc2nonc2c1)c1ccc(-c2cc[nH]n2)cc1 95356036 MEHJICMYDQEHAE-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)O 237468659 MQJQVCYHZAFNFR-BXUZGUMPSA-N 322.405 2.716 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)COc2cccc(Cl)c2)C1 91757824 VBRWWSXIFXXOIS-ZDUSSCGKSA-N 322.836 2.804 0 50 DFAA COc1cnc(CN(C)Cc2cnc3ccccc3c2)cc1O 244707924 KKDHPXOKWQHFEX-UHFFFAOYSA-N 309.369 2.976 0 50 DFAA CN(C)[C@@H]1CCc2ccccc2N(Cc2ccc(CO)o2)C1 623284102 WTXAGPZMNSHIQS-OAHLLOKOSA-N 300.402 2.655 0 50 DFAA COCc1cccc(C(=O)N[C@H](c2nccn2C)C(C)C)c1 299792036 FEPBXIFIKIYTBR-HNNXBMFYSA-N 301.390 2.694 0 50 DFAA CN(Cc1cccc(OC2CCNCC2)c1)Cc1cscn1 299797041 QRSBWIYSCHMIFM-UHFFFAOYSA-N 317.458 2.906 0 50 DFAA Cc1c(NC(=O)CC(C)C)cccc1NC(=O)N[C@@H]1CCOC1 299761838 ARJNOHDYHAPHDT-CYBMUJFWSA-N 319.405 2.890 0 50 DFAA O=C(Nc1ccc(F)nc1)N1CCCC[C@H]1CCn1cccn1 299787009 ORRYGZRVYRZQST-AWEZNQCLSA-N 317.368 2.894 0 50 DFAA COCCN(Cc1ccccc1F)C(=O)N[C@@H](C)C(F)(F)F 824400779 WFRRFPLKORUTBU-JTQLQIEISA-N 322.302 2.935 0 50 DFAA CC(C)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCCCC1 822034345 IDGLXGRCAXGVPO-INIZCTEOSA-N 310.463 2.541 0 50 DFAA COc1cccc([C@@H]2CN(c3ncnc4[nH]ccc34)CCO2)c1 268865897 SOEVMJVRVDBDHF-HNNXBMFYSA-N 310.357 2.544 0 50 DFAA CCc1cc2c(N3CCC4(CC3)C[C@H]4C(=O)O)ncnc2s1 405489271 NJXBNOCUGYHOIF-LBPRGKRZSA-N 317.414 2.945 0 50 DFAA CCOc1cc(N2CCC[C@H](c3noc(C4CC4)n3)C2)ncn1 274578005 AVZCRMSKPXJYSJ-LBPRGKRZSA-N 315.377 2.520 0 50 DFAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2ncccc2c1 275709292 YEBZXCBGLMPVNY-IRXDYDNUSA-N 308.385 2.588 0 50 DFAA C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1 633138607 QSBJUTQBQHTHTE-PWSUYJOCSA-N 307.346 2.624 0 50 DFAA Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@@H]1C[C@@H]1C(=O)O 634832120 VBYICXXJECUVHK-WOPDTQHZSA-N 315.291 2.825 0 50 DFAA Cc1nnc2n1C[C@@H](C(=O)N[C@H](C)c1cc3ccccc3o1)CC2 676789310 VXASEYWVRLFFHQ-RISCZKNCSA-N 324.384 2.773 0 50 DFAA O=C1N(CCNCc2ccc(Cl)s2)C[C@H]2CCCCN12 585117094 QORIAQAEMPPMOV-LLVKDONJSA-N 313.854 2.781 0 50 DFAA Cc1ccc(-c2cnc(Cn3ncc4c3C[C@@H](O)CC4)o2)cc1 682188788 GLBXWGCHDLEAER-HNNXBMFYSA-N 309.369 2.744 0 50 DFAA O=C(NC[C@H](C(=O)O)C1CCC1)c1c(F)ccc2ccncc12 663156447 KFBIXZOGFPSFRZ-ZDUSSCGKSA-N 316.332 2.605 0 50 DFAA O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 2025824 LWEZSILINWAWTA-UHFFFAOYSA-N 320.751 2.777 0 50 DFAA O=C(c1nc2c(s1)CCCC2)N1Cc2ccccc2[C@H](O)C1 1506397926 GLSDVHKCVXYUCC-CQSZACIVSA-N 314.410 2.711 0 50 DFAA CCc1nccn1CCC(=O)Nc1ccnn1C1CCCC1 1506415134 LVHUZSVVGYORIN-UHFFFAOYSA-N 301.394 2.786 0 50 DFAA CC1(C)CCC[C@@H]1NC(=O)N=c1cc[nH]cc1Br 408161737 PJYBWCCDIFLCLD-NSHDSACASA-N 312.211 2.966 0 50 DFAA COc1ccc(-c2onc(N3CCCC3)c2C(=O)N(C)C)cc1 1704331255 QCGLMAAKRSEEMO-UHFFFAOYSA-N 315.373 2.652 0 50 DFAA CC1CCN(C(=O)CSc2ncn(-c3ccccc3)n2)CC1 5064573 BQWOHGHXNNYNGU-UHFFFAOYSA-N 316.430 2.618 0 50 DFAA OCC1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 12718869 PAIOUHGNWUEYKC-UHFFFAOYSA-N 321.808 2.518 0 50 DFAA CCCCN1C[C@H](C(=O)Nc2ccccc2OCC)CC1=O 16552672 FXBAYUBZTGNCOA-CYBMUJFWSA-N 304.390 2.672 0 50 DFAA CN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(F)cc32)c2ccccc21 19943785 YZHPXVYKVWMAPP-IBGZPJMESA-N 321.355 2.673 0 50 DFAA O=C(NCCc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 6731032 RTFNHIZAVFSAQY-UHFFFAOYSA-N 302.305 2.919 0 50 DFAA CCCOC[C@@H](O)CCc1n[nH]c(=S)n1-c1ccccc1 5793212 CJQMGGFPAZWRSB-ZDUSSCGKSA-N 307.419 2.650 0 50 DFAA Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21 2325090 FRCBPVYVBMBMGR-UHFFFAOYSA-N 312.421 2.566 0 50 DFAA Cc1scc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)c1C 333232101 CFVYEZRWNRXQMN-GDBMZVCRSA-N 322.474 2.723 0 50 DFAA CCn1cc(NC(=O)Nc2cc(CCC(C)C)nn2C)cn1 241231137 KSJMXZLHTAXUNZ-UHFFFAOYSA-N 304.398 2.869 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](CC(N)=O)CC2)ccc1Cl 671481791 GJOMYLPMCVVGCR-LBPRGKRZSA-N 308.809 2.766 0 50 DFAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)N1CCCCCC1 252512874 WLJXIHCHCMNUJV-CKNLXJGOSA-N 300.468 2.652 0 50 DFAA CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(O)cc(O)c1 152768911 YDOYMWXJTJSWIJ-UHFFFAOYSA-N 318.398 2.705 0 50 DFAA O=C(Nc1ccn(CCF)n1)N1CCC[C@H]1c1ccc(O)cc1 932213953 DOYRKFGCCBGPCN-AWEZNQCLSA-N 318.352 2.927 0 50 DFAA Cc1nccc(-c2cccc(NC(=O)[C@H]3NCC34CCCC4)c2)n1 852785216 CKDYBCPCIQFMOK-QGZVFWFLSA-N 322.412 2.923 0 50 DFAA Cc1nn(CC(=O)N2CCCCc3cccnc32)c(C)c1Cl 872297514 OMVHWKXMFBHLDB-UHFFFAOYSA-N 318.808 2.918 0 50 DFAA CC(C)Oc1ccc(CN(C=O)[C@H]2CCN(C)[C@H](C)C2)cc1 1875325243 JWYRDKFSQDJFDD-WBVHZDCISA-N 304.434 2.915 0 50 DFAA FC(F)(F)[C@]12C[C@@H]1CN(c1nnc(C3CC3)n1CC1CC1)C2 1776007397 ZIHXPSMFUFFWNP-RISCZKNCSA-N 312.339 2.954 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1 1071069 RPQGXJXGFWNFLU-UHFFFAOYSA-N 317.819 2.889 0 50 DFAA COc1ccc(C2=NNC(=O)[C@@H](c3ccc(OC)cc3)C2)cc1 1432303 GJNWFJAGCCQGPW-MRXNPFEDSA-N 310.353 2.712 0 50 DFAA CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccccc2)CC1=O 1857796596 RJZXWWIPHLPCEQ-GOSISDBHSA-N 303.402 2.667 0 50 DFAA CC1(c2noc(Cc3cc4ccccc4nc3O)n2)CCNCC1 2325787771 WFPCCJZEUIMRBG-UHFFFAOYSA-N 324.384 2.555 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)C3(N)CC(F)(F)C3)cc2)c1C 2325795551 MELHVCVVLUIYTF-UHFFFAOYSA-N 320.343 2.554 0 50 DFAA Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1C 92148 SDVMEJTZXHSEQO-UHFFFAOYSA-N 321.380 2.732 0 50 DFAA COc1ccc(NS(=O)(=O)c2ccc3nsnc3c2)cc1 302924 CKHRNVGZTFVCQJ-UHFFFAOYSA-N 321.383 2.501 0 50 DFAA COc1ccc(C(N)=O)cc1NC(=O)c1ccccc1Cl 433382 GRYMKURTBFHROE-UHFFFAOYSA-N 304.733 2.700 0 50 DFAA Cc1cc(N2C(=O)c3ccc(Br)cc3C2=O)no1 457741 RDZZLQDJEZEUKB-UHFFFAOYSA-N 307.103 2.546 0 50 DFAA CCCn1nnc(NC(=O)COc2ccc([C@@H](C)CC)cc2)n1 561027 HDRDBOJENWTGCY-LBPRGKRZSA-N 317.393 2.614 0 50 DFAA Cc1ccc(C)c(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c1 2356139571 SPCFXFFLMFQTQZ-AWEZNQCLSA-N 308.385 2.584 0 50 DFAA CCCn1nccc1N=c1cc(C)nc(N2CCCCC2)[nH]1 2356162260 FEOAAFJBEPJKMZ-UHFFFAOYSA-N 300.410 2.547 0 50 DFAA Nc1cncc(-c2ccc(C(=O)N3C[C@H]4CCC[C@H]4C3)cc2)n1 2356168997 RWIYZOJXOYXGNE-GASCZTMLSA-N 308.385 2.598 0 50 DFAA CCC(=O)Nc1ccc(C(=O)NCc2ccccc2OC)cc1 4814391 FOCXQJMAHMPAAF-UHFFFAOYSA-N 312.369 2.974 0 50 DFAA biogenic Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6152060 FYGMUKGYHICKNQ-MRXNPFEDSA-N 308.381 2.982 0 50 DFAA COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1 6411540 SQFSKOYWJBQGKQ-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA endogenous,in-man CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)N1CCOCC1 221791407 YQDORLCHQGKIPK-HYVNUMGLSA-N 310.482 2.818 0 50 DFAA Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)n1 8217203 MVCBCNHAZJHPRE-LBPRGKRZSA-N 315.398 2.752 0 50 DFAA CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 9230805 ANTKEBIRBMVVEZ-UONOGXRCSA-N 318.373 2.865 0 50 DFAA COc1ccc(N2C(=O)C[C@@H](Sc3ccccn3)C2=O)cc1 100120800 OKHUZXQPDQDDSL-CYBMUJFWSA-N 314.366 2.514 0 50 DFAA Cc1ccc(-c2cc(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)[nH]n2)cc1 67726808 FBGZIKFERIIUFH-GFCCVEGCSA-N 323.400 2.778 0 50 DFAA CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2[nH]nc(C)c21 67614152 FLQUOHNKORRROC-LBPRGKRZSA-N 315.373 2.990 0 50 DFAA CCOc1ccc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)o1 67840061 QCBYMUMCYOLGIB-UHFFFAOYSA-N 315.373 2.823 0 50 DFAA CN(C)Cc1ccc(NC(=O)C2CCC(O)CC2)cc1Cl 279852531 BXLDZWRUXXETQU-UHFFFAOYSA-N 310.825 2.891 0 50 DFAA Cc1nc2cc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)ccc2o1 350477746 LSTQGXZSCCDUOS-WBVHZDCISA-N 308.337 2.524 0 50 DFAA CC(C)c1ncc(NC(=O)c2cc(Br)cn2C)cn1 280038180 WKQWINPSANJZCA-UHFFFAOYSA-N 323.194 2.953 0 50 DFAA CC(C)c1csc([C@H]2CCCN([C@H](C)c3nnnn3C)C2)n1 253296117 NZJOQYCRVFAQPK-NEPJUHHUSA-N 320.466 2.731 0 50 DFAA O=C(NCCc1ccc(Cl)cc1)[C@H]1CC=CC[C@H]1C(=O)O 6550744 PYMWQNDCTLNBSJ-UONOGXRCSA-N 307.777 2.666 0 50 DFAA O=C1CC[C@H](C(=O)N2CCOCc3ccccc32)n2cccc21 329964725 TZXPXQBMKXPOHK-MRXNPFEDSA-N 310.353 2.569 0 50 DFAA COc1ccncc1NC(=O)c1csc([C@@H]2CCCO2)n1 125458691 YZBMBDUESJBJKE-LBPRGKRZSA-N 305.359 2.651 0 50 DFAA O=C(NCCc1ccccc1O)c1noc2c1CCCCC2 156391522 FPHUUPNMAOSXMU-UHFFFAOYSA-N 300.358 2.622 0 50 DFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(C(=O)O)cc1F 261933585 LPVFYXLTRZPRLB-MRVPVSSYSA-N 319.336 2.616 0 50 DFAA C[C@@H](CCO)C1(CNC(=O)Nc2cccc3c2CCO3)CCC1 333073613 VITXPIDXBDXAOC-ZDUSSCGKSA-N 318.417 2.932 0 50 DFAA O=C(OC[C@H]1CCCN1)c1cccc(NC(=O)C2CCCC2)c1 238055203 BOBCMGPJQKGKBY-MRXNPFEDSA-N 316.401 2.724 0 50 DFAA CC[C@](C)(NC(=O)c1ccc(C(=O)O)cc1)c1nccs1 236919696 DJFIUDPIQFPQIT-HNNXBMFYSA-N 304.371 2.897 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237442569 BZJWAUQASBMMFJ-HUUCEWRRSA-N 319.401 2.866 0 50 DFAA Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H]([C@H](C)N)C2)c1 237464680 WKZRPWPGWLLOLU-JKSUJKDBSA-N 304.434 2.658 0 50 DFAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1 263106678 BJYFAVXWKDMMBY-SPJHXALWSA-N 308.422 2.563 0 50 DFAA COc1ccc(CCC(=O)Nc2ccncc2F)cc1OC 132034380 FBPVITRFWAHWIB-UHFFFAOYSA-N 304.321 2.809 0 50 DFAA NC(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)s1 177521509 JZZQXROREDBZIA-UHFFFAOYSA-N 320.336 2.794 0 50 DFAA COCc1cc(N[C@H](c2ccccc2)c2nccn2C)ncn1 95362320 XDMMDURHAYNZHQ-MRXNPFEDSA-N 309.373 2.558 0 50 DFAA Cc1noc2ncnc(N[C@@H](Cn3ccnc3)c3ccccc3)c12 95373107 VWFMIJUONBBBMX-AWEZNQCLSA-N 320.356 2.976 0 50 DFAA COc1ccc(-n2cccn2)c(CN2CCCCC[C@@H]2CO)c1 97346720 HIRLIPYVKZVSOO-MRXNPFEDSA-N 315.417 2.618 0 50 DFAA CCCCSc1nc(N)cc(N[C@H](C)c2cnn(C)c2)n1 95379077 YHXCOQWKEYEPAK-SNVBAGLBSA-N 306.439 2.858 0 50 DFAA NC(=O)c1c(F)cccc1CC[C@H]1COc2ccccc2O1 244758160 OTGIPSOTXOMCCW-LBPRGKRZSA-N 301.317 2.697 0 50 DFAA c1ccc(CN(Cc2nnc(C3CC3)o2)C[C@@H]2CCCO2)nc1 244773833 PHKBHAUKGXINSX-HNNXBMFYSA-N 314.389 2.523 0 50 DFAA COCCN1C[C@@H](Cc2ccnc3c(C)cc(C)cc23)CC1=O 243902113 BGDRXEUAIFFNPQ-HNNXBMFYSA-N 312.413 2.889 0 50 DFAA Cc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)nc(C)n1 349109846 OFWVLWUBEQGXTI-UHFFFAOYSA-N 323.400 2.954 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H](C)c2nc3ccccc3n2C)c(O)n1 252506338 VZRAJKIJQUHQQX-GFCCVEGCSA-N 324.384 2.782 0 50 DFAA CCCn1ncnc1[C@H](C)NC(=O)c1ccc(C)n1C(F)F 534652060 VVGGYBJAMHLDIB-JTQLQIEISA-N 311.336 2.684 0 50 DFAA CN(C)C(=O)c1ccc(NC[C@@H](c2cccs2)N(C)C)nc1 264838672 GHOZVXDQDRSMRO-ZDUSSCGKSA-N 318.446 2.560 0 50 DFAA CCCc1ncncc1C(=O)NCc1ccc2c(c1)CCCO2 299755082 CJAXCXFZXCQJOI-UHFFFAOYSA-N 311.385 2.684 0 50 DFAA CCCCn1nccc1NC(=O)N1CC(N2CCCC[C@@H]2C)C1 299790043 AOZQHHYCEVEBSG-AWEZNQCLSA-N 319.453 2.774 0 50 DFAA Cc1nc(C(=O)N2CCCC[C@H]2CCn2cccn2)cs1 825317509 MEHYQNSRLILIFU-ZDUSSCGKSA-N 304.419 2.733 0 50 DFAA Cc1cccc(NC(=O)CCNCc2n[nH]c(C)c2Cl)c1 952966589 VSPCUNZXMCEVRU-UHFFFAOYSA-N 306.797 2.798 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n1 408517288 FPPHKMAUSIVNBD-HOTGVXAUSA-N 324.428 2.672 0 50 DFAA O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc[nH]n1 186083135 SQOQEZUBHDLOAO-UHFFFAOYSA-N 323.740 2.973 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc3ncccc3c2)C1 277662516 ZHYQMSQBWFSBRB-NVXWUHKLSA-N 324.384 2.888 0 50 DFAA Cc1cc(S(=O)(=O)Nc2c[nH]c(=O)c(C)c2)sc1Cl 170608176 JVPFYSCCVRSBTK-UHFFFAOYSA-N 318.807 2.507 0 50 DFAA Cn1ncc(Cl)c1CN1CCO[C@@]2(CCc3ccccc32)C1 187360522 CJETVVLMWLIBNT-KRWDZBQOSA-N 317.820 2.747 0 50 DFAA O=C(NCc1nc(-c2ccccc2)no1)c1onc2c1CCCC2 666009711 BIOBYZIRHJDLCS-UHFFFAOYSA-N 324.340 2.533 0 50 DFAA Cc1nccc2c(NC(=O)C3(C(=O)NC4CC4)CCC3)cccc12 1616038235 ZAQROGJQBJPJPG-UHFFFAOYSA-N 323.396 2.931 0 50 DFAA CCn1c(SC[C@H]2CCCCNC2=O)nnc1-c1ccco1 1616036803 YKMFSZQCKWZWLD-LLVKDONJSA-N 320.418 2.566 0 50 DFAA COc1ccccc1-c1nn2c(-c3cccnc3)nnc2s1 525149 BYPWLUQYMXFUAK-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA COc1ccc(C(=O)CCC(=O)Nc2cccnc2)c(OC)c1 609914 BHLVHZWLMVLRIX-UHFFFAOYSA-N 314.341 2.700 0 50 DFAA CNC(=O)C[C@@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 1506408894 NEJFHYLYJUKWOM-IWUURBKTSA-N 318.461 2.578 0 50 DFAA Cc1ccccc1CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529185893 SAIRQTPTWVDJRA-MOPGFXCFSA-N 324.424 2.697 0 50 DFAA Cc1c(Cl)ccc(S(=O)(=O)NC[C@H]2CCCO2)c1Cl 367679 OZWDSXBBFCRRSR-SECBINFHSA-N 324.229 2.759 0 50 DFAA COc1ccc(CCNC(=O)/C=C/c2ccco2)cc1OC 334791 RTMCVKRRGDEHTR-SOFGYWHQSA-N 301.342 2.669 0 50 DFAA Cc1c(C(=O)NCCc2cccs2)nnn1-c1ccccc1 11690162 UNQUZCLSRCAAKJ-UHFFFAOYSA-N 312.398 2.610 0 50 DFAA CC(C)(C)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 12138701 GBCPKKZYTRFOTF-CQSZACIVSA-N 304.390 2.580 0 50 DFAA O=C(CSc1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 12241847 WGRURKIGVDHIJS-ZDUSSCGKSA-N 301.415 2.908 0 50 DFAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 12282173 KMMAEEPBAYTWTR-TZMCWYRMSA-N 311.385 2.609 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)n(C)n1 12593072 JZKHEQNVPMKGTA-HNNXBMFYSA-N 316.380 2.584 0 50 DFAA Nc1nnc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n12 1382032 ATNUTTDCJZDQKF-UHFFFAOYSA-N 321.184 2.897 0 50 DFAA O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 404474 QDEJCUHGSHSYQH-UHFFFAOYSA-N 323.348 2.952 0 50 DFAA in-vitro Cn1cc(Cl)cc1C(=O)N[C@@H](CC(=O)O)c1cccs1 642226950 DWBGJHJGSCUYKM-VIFPVBQESA-N 312.778 2.686 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCOCC[C@H]3C)n[nH]2)cc1C 370408580 WREILPUCARILCV-CQSZACIVSA-N 313.401 2.945 0 50 DFAA Cc1ccc(NC(=O)N2CC(c3ncc(C4CC4)cn3)C2)cn1 1875281866 BAQAIOHWZAIVQO-UHFFFAOYSA-N 309.373 2.689 0 50 DFAA CCCCn1nc(-c2ccccn2)nc1-c1cnn(CCF)c1 1875331420 ZOTLNAZZIVZTKH-UHFFFAOYSA-N 314.368 2.973 0 50 DFAA COc1ccc2c(c1)C[C@@H](C)C[C@H]2NC(=O)/C=C/CN(C)C 1875376634 DLBFMHVCEACNAP-NNDLYXEVSA-N 302.418 2.553 0 50 DFAA Cc1nc2nccnc2cc1-c1cn(-c2nccs2)nc1C 1875346595 INXVCAGELNLBTH-UHFFFAOYSA-N 308.370 2.951 0 50 DFAA Nc1ccc([C@H]2CCCN2C(=O)c2c(F)cccc2Cl)nn1 888078732 RECKDDWIPGGPOA-GFCCVEGCSA-N 320.755 2.829 0 50 DFAA C[C@@H](CCNC(=O)OC(C)(C)C)C[C@H](C)NCCn1cccn1 888098528 KEOWBVHGEGJEEX-GJZGRUSLSA-N 324.469 2.802 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOc2ccccc2)C1 888102827 PCLALDUBLRZHAF-SJORKVTESA-N 315.417 2.867 0 50 DFAA O=C(O)c1cnc([C@H]2CCCN(C(=O)c3ccsc3)C2)s1 2325792489 IHRMCCJNEBMAKK-VIFPVBQESA-N 322.411 2.923 0 50 DFAA O=S(=O)(c1ccc(Br)s1)N1CCCCC1 90235 JOPVDBGGIVPTLH-UHFFFAOYSA-N 310.238 2.685 0 50 DFAA COC(=O)c1cccc(NC(=S)Nc2cc(C)ccn2)c1 134292 GAYQEODXQNYZLX-UHFFFAOYSA-N 301.371 2.986 0 50 DFAA O=C(CNC(=O)c1ccccc1)OCc1ccccc1Cl 149197 PRYDCOKMKAYPGE-UHFFFAOYSA-N 303.745 2.813 0 50 DFAA CCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC 249116 DOABUMPAZVBVAV-UHFFFAOYSA-N 321.398 2.919 0 50 DFAA C[C@H](NC(=O)Cc1ccc(Br)cc1)[C@H]1CCCO1 6741341 MVTXFVMPFAKLSI-GXFFZTMASA-N 312.207 2.675 0 50 DFAA C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)c1c[nH]nc1C1CC1 225605766 HOAXRTRGLIRSNV-LBPRGKRZSA-N 312.417 2.714 0 50 DFAA Cc1ncc(CO)c(CN2CCC[C@@H](c3ccccc3)C2)c1O 67880403 HENGRJAOWYVBNH-MRXNPFEDSA-N 312.413 2.968 0 50 DFAA NC(=O)c1ccc(CN2CCC[C@@H](O)c3cc(F)ccc32)cc1 328587232 KSRYOPBUGLWAJF-QGZVFWFLSA-N 314.360 2.758 0 50 DFAA Cc1ccc(NC(=S)N[C@@H](CO)Cc2ccccc2)cc1 1393003 FOUNITCIJWKJJL-MRXNPFEDSA-N 300.427 2.885 0 50 DFAA C[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@@H](C)N1 153262539 UPWWZCMEZXBGCA-ZIAGYGMSSA-N 311.385 2.696 0 50 DFAA COc1cc(CN2CCC[C@H](CCC(=O)O)C2)cc2c1OCO2 322403248 PTEZONMQNRIVOW-GFCCVEGCSA-N 321.373 2.501 0 50 DFAA Cc1cc(C)n(C[C@@H](C)n2cnc3c(C)csc3c2=O)n1 32508964 WJOHVRRFAHCVOJ-GFCCVEGCSA-N 302.403 2.841 0 50 DFAA CC(C)[C@H](CNC(=O)c1cc(O)cc(O)c1)c1cccnc1 152785533 FWQAYOQZXDURRI-INIZCTEOSA-N 300.358 2.662 0 50 DFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)no1 32771294 JGSILNVPHJEAHE-CQSZACIVSA-N 310.350 2.648 0 50 DFAA COc1ccc(Cn2cc(C(=O)O)c3ccccc3c2=O)cc1 72220574 DHWHOIWMOJPESM-UHFFFAOYSA-N 309.321 2.757 0 50 DFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC[C@@H]1c1ccccn1 215282380 UHTVNXLLNHSADB-CQSZACIVSA-N 317.776 2.791 0 50 DFAA O=C(Cc1ccco1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 370645807 ZIIJKWKFYOYANI-SFHVURJKSA-N 317.360 2.933 0 50 DFAA CC(C)Oc1cncc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c1 331885588 WWSLSMSBRFGDGW-HNNXBMFYSA-N 300.362 2.569 0 50 DFAA Cc1cc(C)n(-c2cccc(CN(C)CCc3cnn(C)c3)c2)n1 214998344 RLBURZRRHRKZBA-UHFFFAOYSA-N 323.444 2.897 0 50 DFAA C[C@@H]1OCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@@H]1C 157802187 LZFXTJUZLUVKQQ-QLFBSQMISA-N 310.438 2.687 0 50 DFAA Cn1c(SC[C@@H]2CCCC[C@H]2O)nc2ccsc2c1=O 332647352 SULKSVUTCNUSJF-GXSJLCMTSA-N 310.444 2.638 0 50 DFAA CNC[C@H]1CCCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 237069149 CCGBVCDGVKVDLM-OAHLLOKOSA-N 311.429 2.923 0 50 DFAA O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CC[C@](O)(C(F)F)C1 452680217 HPCNESYSQAEGSK-BCUIYNNISA-N 301.377 2.821 0 50 DFAA Cc1nn(-c2ccccn2)c(C)c1CNCC1(O)CCCCC1 282628587 KBYANBIJWFAXIU-UHFFFAOYSA-N 314.433 2.669 0 50 DFAA CCn1c(C)nnc1N1CC[C@@H](Oc2ccccc2Cl)C1 284366561 KXTRQGFSKMIKHN-GFCCVEGCSA-N 306.797 2.918 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)nn1C 15075807 VWPOLGQDIMSRIR-HNNXBMFYSA-N 318.465 2.646 0 50 DFAA O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc(O)c2ccccc2c1 241465985 NTRDTYKFNRJCRH-MJGOQNOKSA-N 319.360 2.934 0 50 DFAA CCCn1c(SCC(=O)NC2CC2)nnc1-c1ccoc1C 17055372 KGNDDRAVHALCGS-UHFFFAOYSA-N 320.418 2.627 0 50 DFAA Cc1ccc([C@H](C)Cc2cn(CCC(=O)N3CCCC3)nn2)o1 82092869 LYENVBUWXNILPZ-CYBMUJFWSA-N 316.405 2.538 0 50 DFAA CCc1c(C)nn(CC(=O)N[C@H](CC)c2ccncc2)c1C 220366849 JQMKIIDPOFBDAT-MRXNPFEDSA-N 300.406 2.725 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)C12CCC2 178127135 IQEZMTPNFCCYQP-LSDHHAIUSA-N 304.390 2.972 0 50 DFAA Cc1cccc2c(N3CCO[C@@H](Cn4cccn4)C3)ccnc12 178215337 BCENKJUNOSGXEC-OAHLLOKOSA-N 308.385 2.645 0 50 DFAA C[C@H](C(N)=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95531427 BHMXWPDWVURFQB-MRXNPFEDSA-N 308.425 2.942 0 50 DFAA 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306.313 2.777 0 50 DFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)CCc1ccon1 668040662 BDJDHNMZMBTCQN-INIZCTEOSA-N 314.385 2.986 0 50 DFAA Cn1nccc1CS(=O)(=O)[C@@H]1CCc2c(Cl)cccc21 194439300 CDOLWRUBHOPKMQ-CQSZACIVSA-N 310.806 2.676 0 50 DFAA Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cc3ccccc3[nH]2)cn1 789740336 UYQWKVHOVNJBGV-MJGOQNOKSA-N 324.428 2.990 0 50 DFAA COc1cnc(N(C)C(=O)Cc2ccc(C3CCC3)cc2)nc1 1650240288 PLLLAKVEGIKHBT-UHFFFAOYSA-N 311.385 2.958 0 50 DFAA O=C(O)[C@@]1(Cc2ccccc2)CN(C2CCCCC2)CC[C@@H]1O 1704354137 TYGDUSLCPQDLNK-HKUYNNGSSA-N 317.429 2.699 0 50 DFAA CC(=O)c1cnc(NCc2nc3c(s2)CCCC3)nc1C 1704304176 AYVYZBOWWIGWOR-UHFFFAOYSA-N 302.403 2.935 0 50 DFAA O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1 5065388 MXGGDUCBANKPNZ-UHFFFAOYSA-N 324.336 2.986 0 50 DFAA COc1ccc(S(=O)(=O)N2C[C@H]3C[C@]3(C)C2)c2c1CCCC2 1772812730 PNHMQZDSRWUNAC-SJKOYZFVSA-N 321.442 2.605 0 50 DFAA O=C1CN(C(=O)COc2ccc(Cl)cc2)c2ccccc2N1 5862635 MTLXLLQFYPAOFW-UHFFFAOYSA-N 316.744 2.704 0 50 DFAA CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2F)c1 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306.387 2.778 0 50 DFAA COc1cc(CN2C[C@@H]3CC[C@H]2CN(C)C3)cc(Cl)c1OC 248089015 BWBIPGLRCOLFIT-OCCSQVGLSA-N 324.852 2.883 0 50 DFAA Cn1nc(C2CC2)cc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 930193054 CQCFFHARHOSRLK-AWEZNQCLSA-N 324.428 2.554 0 50 DFAA Oc1cccc(CN(Cc2nncs2)[C@H]2CC[C@H](O)CC2)c1 930746137 WTWZNHDJOKKMBH-HDJSIYSDSA-N 319.430 2.549 0 50 DFAA Cc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 20512510 AAJZGIJQXHXUCX-UHFFFAOYSA-N 323.440 2.751 0 50 DFAA Cc1ncc(-c2nc([C@]3(C)COc4ccccc4O3)no2)c(C)n1 864096475 AGXYCURAFPZAGU-KRWDZBQOSA-N 324.340 2.830 0 50 DFAA CO[C@H]1CCC[C@H]1S(=O)(=O)Nc1ccc2scnc2c1 1875362864 WUYHTDUOYFHAPL-WCQYABFASA-N 312.416 2.606 0 50 DFAA Cc1cc(=NC[C@H](O)C2(C)CC2)[nH]c(N(C)c2ccccc2)n1 1875360484 BCPNQHVKCAFVAH-HNNXBMFYSA-N 312.417 2.548 0 50 DFAA O=C(OCC(F)(F)c1ccc(F)cc1)[C@@H]1C[C@H]2C[C@@H]2CO1 1875307337 AOTCJUPXVOSEAF-BREBYQMCSA-N 300.276 2.886 0 50 DFAA COc1ccc2c(c1)CN(C(=O)N[C@@H](C)c1nccs1)C2 888093971 QJDAENUQJDIDQL-JTQLQIEISA-N 303.387 2.938 0 50 DFAA 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O=C(CCCn1cncn1)N1CCCCC[C@H]1c1ccco1 76651556 VKKLRPZELWEHSC-AWEZNQCLSA-N 302.378 2.795 0 50 DFAA COc1ccc(CN2CCC[C@@](O)(c3ccccc3)CC2)nc1 377714419 AMOMQRZKJLTAMF-IBGZPJMESA-N 312.413 2.964 0 50 DFAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccoc1Cl 287164614 ZRQBYSRBXVSQGN-RAIGVLPGSA-N 313.781 2.589 0 50 DFAA COc1cccc(F)c1C(=O)N[C@H](C)Cc1cccc(C)n1 220634200 GSTZTLIQSSFJLN-GFCCVEGCSA-N 302.349 2.899 0 50 DFAA COCc1cccc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1 177484046 XUIGQHRAQJLSMC-OAHLLOKOSA-N 311.337 2.662 0 50 DFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ncoc3C(C)C)[C@H]2C1 426421849 LKZYKJOFRSPLER-IIYDPXPESA-N 322.405 2.597 0 50 DFAA CN1CCCC[C@@H]1C(=O)NCCc1cccc(C(F)(F)F)c1 97436983 FTMATRFEPYWLBX-CQSZACIVSA-N 314.351 2.848 0 50 DFAA CS(=O)(=O)c1cccc(CN2CCOC3(CCCCC3)C2)c1 294727844 GNQIMHIDAFAOFJ-UHFFFAOYSA-N 323.458 2.625 0 50 DFAA CCOCCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95371907 BGGKBKYQYCZNPF-OAHLLOKOSA-N 305.374 2.517 0 50 DFAA C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C1CC1)C(=O)O 237610486 RHAAZFHZZASAFR-ADEWGFFLSA-N 323.339 2.780 0 50 DFAA Cc1cc2nc(CN(C)CCC(=O)NC(C)C)[nH]c2cc1C 244874322 WZJYAOZWCKBDJD-UHFFFAOYSA-N 302.422 2.526 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c(F)c1 299374212 RTVQMMVXKVKKAA-FZQKWOKYSA-N 309.312 2.823 0 50 DFAA Cc1ncsc1CCN(C)Cc1nc(C(F)(F)F)no1 244794614 QQHQCSZETKDCEP-UHFFFAOYSA-N 306.313 2.528 0 50 DFAA O=C(CCN1CCC[C@@H]1c1nccs1)Nc1cccnc1 244787600 QADLRQNPYYVVTK-CYBMUJFWSA-N 302.403 2.704 0 50 DFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2[nH]ccc12 299743752 PGGGVOBQYPARSN-KRWDZBQOSA-N 320.348 2.820 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1cccc(F)c1F 299745142 WLXLEPLQDFDFST-GFCCVEGCSA-N 311.328 2.753 0 50 DFAA Cc1scc(CCNC(=O)c2c3c(nn2C)CCCC3)c1C 299763457 VZXMLLIPCJCEGU-UHFFFAOYSA-N 317.458 2.950 0 50 DFAA CCCCn1nc(-c2ccc(F)cc2)nc1C[C@H](C)NC(C)=O 952969464 FLPXUPDPHRJRPN-LBPRGKRZSA-N 318.396 2.951 0 50 DFAA NCc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 269144985 ZZPIXWWFWSKVNA-OALUTQOASA-N 324.424 2.874 0 50 DFAA c1ncc2c(CN3CCC(OC4CCCC4)CC3)cnc-2[nH]1 585136805 SYVGRWKAVLPDKD-UHFFFAOYSA-N 300.406 2.833 0 50 DFAA c1ccc2c(c1)sc1nnc(SCC3COCOC3)n12 585118771 BDAZOGLLDGRZOD-UHFFFAOYSA-N 307.400 2.657 0 50 DFAA CCS[C@@H]1CCCCN(C(=O)c2cncc3ncn(C)c23)C1 585132408 VVVUELJGAGBTGZ-GFCCVEGCSA-N 318.446 2.716 0 50 DFAA Cc1nc(CN2CCc3cc(Br)ccc3C2)no1 192251461 ONICZMHRCAQCMZ-UHFFFAOYSA-N 308.179 2.699 0 50 DFAA O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1 195077896 IQLPKAZSOLXFAM-YYIAUSFCSA-N 318.392 2.938 0 50 DFAA CN(Cc1ccc(F)cc1F)CN1C(=O)SC(C)(C)C1=O 753993765 BKMJADCTVBQLGP-UHFFFAOYSA-N 314.357 2.828 0 50 DFAA O=C(NCc1noc2ccc(F)cc12)N1CCC[C@H]1C(F)F 1615553352 KJAXPVWQHVOPDH-NSHDSACASA-N 313.279 2.906 0 50 DFAA C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cccnc1C1CC1 1615618093 DLQQWGWECUGTOG-NSHDSACASA-N 301.390 2.592 0 50 DFAA CC[C@H](NC(=O)CC(=O)Nc1cccc(C)c1)c1cccnc1 1506401563 DVAAGGVHZSWBDG-INIZCTEOSA-N 311.385 2.986 0 50 DFAA CC(C)C1=NO[C@H](C(=O)N(C)CCOc2cccc(Cl)c2)C1 1506429454 SONYCDUSMPTAQP-HNNXBMFYSA-N 324.808 2.978 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2cncn2C)C[C@@H](c2ccccc2)O1 1529191740 FAXGCFVJCLSRSQ-SJORKVTESA-N 313.401 2.658 0 50 DFAA Cc1ccccc1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529192215 SAIRQTPTWVDJRA-RTBURBONSA-N 324.424 2.697 0 50 DFAA OCCN(C[C@@H]1CCCOC1)CC12CC3CC(CC(C3)C1)C2 1529146262 KWVVZMKZVLMRCA-OPRRPXDXSA-N 307.478 2.924 0 50 DFAA CN(C)c1nc(NC[C@@H]2CCCN(C3CCCC3)C2)ncc1F 1529098794 KWORUIPRXSMTGE-ZDUSSCGKSA-N 321.444 2.748 0 50 DFAA Cc1cc(Br)ccc1C(=O)N1CC[C@@H](N)C[C@@H]1C 124782554 HKZSWPJUICZRBF-CMPLNLGQSA-N 311.223 2.709 0 50 DFAA O=C(C1CCC1)N1CCCN([C@H]2CCc3ccccc3C2)CC1 1772806299 CBTDCSMQBVDVSD-IBGZPJMESA-N 312.457 2.878 0 50 DFAA Cc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1 5508125 TXZPAZPLJRBXCT-UHFFFAOYSA-N 314.366 2.730 0 50 DFAA CC(C)c1nc2cc(C(=O)N3CC[C@H](N(C)C)C3)ccc2o1 12747588 QYECYLCQESNRER-ZDUSSCGKSA-N 301.390 2.727 0 50 DFAA COC(=O)c1sccc1NC(=O)NCc1ccc(OC)cc1 13736875 PGFKVPZNTSMPCL-UHFFFAOYSA-N 320.370 2.865 0 50 DFAA CC(C)c1ccc(OCC(=O)Nc2cccc(C(N)=O)c2)cc1 14557754 NFWYAWVYNRZQKI-UHFFFAOYSA-N 312.369 2.926 0 50 DFAA O=C(c1ccncc1)N1CCN(Cc2cccc(Cl)c2)CC1 19787522 WLERWLQEZNBFNI-UHFFFAOYSA-N 315.804 2.693 0 50 DFAA Cc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)Nc2ccccc21 19899733 LQUFCEDIAFHNSQ-IBGZPJMESA-N 303.365 2.818 0 50 DFAA biogenic Cn1nc2c(c1-c1ccccc1)CCN(C(=O)C1CCC1)CC2 1857670917 IRLKYLGHHRGXQT-UHFFFAOYSA-N 309.413 2.814 0 50 DFAA O=C(NCc1nc2ncccc2o1)c1ccnc2ccccc12 1857673216 PUDGKEIIGGYEML-UHFFFAOYSA-N 304.309 2.701 0 50 DFAA COc1ccc(C)nc1N1CCCN(c2ccncc2C)CC1 1857680146 CLSBUZVVAQUHIH-UHFFFAOYSA-N 312.417 2.819 0 50 DFAA COc1cccnc1CN1CCC[C@@H](c2nnc3ccccn23)C1 1857691058 YHFVNXINWSEYCJ-CQSZACIVSA-N 323.400 2.513 0 50 DFAA COc1ccc(-c2nccn2CC[C@H]2CCOC2)c(OC)c1 1857720548 ZCMRMBLLSMOGDN-ZDUSSCGKSA-N 302.374 2.994 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)c3cc(Cl)ccc3C)C2)n1 408052272 KVEWWEICSSPXKJ-NSHDSACASA-N 305.765 2.970 0 50 DFAA Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)c1 237667219 HUVCMKLBJXXBCS-DLBZAZTESA-N 316.445 2.801 0 50 DFAA Cc1[nH]c2c(C(=O)N3C[C@@H]4CC[C@H]3CN(C)C4)cccc2c1C 248133624 NURSMWYJWZJKDX-CABCVRRESA-N 311.429 2.951 0 50 DFAA CSC[C@@H](C)C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 585130134 JDDGIHHYMHPEIB-GFCCVEGCSA-N 324.494 2.708 0 50 DFAA O=C1N[C@H](c2nc(-c3ccc(Br)cc3)no2)CCO1 585133235 BUKSJLLGHVKYQS-VIFPVBQESA-N 324.134 2.670 0 50 DFAA NC[C@H]1CC2(CCN(Cc3cncc4ccccc34)CC2)CO1 904391742 JACLMLQMNUFYJT-QGZVFWFLSA-N 311.429 2.565 0 50 DFAA CC(C)(C)c1ccc(NC(=O)N2CCC3(CCNCC3)C2)cn1 904562984 GHSBCTXYQCFZJP-UHFFFAOYSA-N 316.449 2.987 0 50 DFAA Cc1[nH]nc2ncc(NC(=O)c3ccnc(C(F)(F)F)c3)cc12 809626263 HFSAKXBGLYMUCN-UHFFFAOYSA-N 321.262 2.932 0 50 DFAA Cc1c(C(=O)OCCc2cnc(O)nc2)oc2c(C)cccc12 821604027 ACYXKADPLIOJQA-UHFFFAOYSA-N 312.325 2.945 0 50 DFAA C[C@@H](C1CC1)n1cc(NC(=O)N(C)Cc2cccc(O)n2)cn1 930975268 GZLFBOMJBZVTSS-NSHDSACASA-N 315.377 2.619 0 50 DFAA NS(=O)(=O)c1ccc(N2CCC[C@H](c3ccccc3)C2)cc1 952994942 XHVIZZQPIUUZHF-HNNXBMFYSA-N 316.426 2.718 0 50 DFAA C=CC(=O)Nc1cccc(CN2CCN(c3ccccn3)CC2)c1 1875366005 OQMGCCRCOONHKI-UHFFFAOYSA-N 322.412 2.528 0 50 DFAA CN(C[C@H]1COc2ccccc2O1)c1ncnc2ccc(O)cc12 1875333023 VHOMYPBXIVRBOP-ZDUSSCGKSA-N 323.352 2.612 0 50 DFAA Cc1ccc(C(=O)NCc2nnc([C@H]3CCCOC3)o2)c(C)c1 886085424 GTSYTWLYQGICRI-ZDUSSCGKSA-N 315.373 2.510 0 50 DFAA Cc1cccc(C)c1CNc1nc2ccccc2c(=O)n1CCO 892944227 HVBYDKMWCHWHEK-UHFFFAOYSA-N 323.396 2.618 0 50 DFAA Clc1cnc2nc(NCC3(N4CCOCC4)CC3)ccc2c1 893513299 QASZBKHSCRKJIP-UHFFFAOYSA-N 318.808 2.560 0 50 DFAA CN(Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1c1ccc[nH]1 252476742 APISCBGGXRRKCK-MJGOQNOKSA-N 313.445 2.645 0 50 DFAA O=C(O)CCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 262756916 IBYCLSODYBYJAX-QMMMGPOBSA-N 308.325 2.816 0 50 DFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2C)n1 18067289 NOSHKLGMCHVIJT-UHFFFAOYSA-N 323.805 2.771 0 50 DFAA Cc1nc([C@H](C)NC(=O)CCc2n[nH]c3ccccc23)[nH]c1C 2325766298 VRXNDNOMNZSUED-LBPRGKRZSA-N 311.389 2.713 0 50 DFAA COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1OC 270174 AQPOTJMEBOXCRJ-UHFFFAOYSA-N 321.398 2.525 0 50 DFAA CC[C@@](O)(c1ccc(O)cc1)[C@@](O)(CC)c1ccc(O)cc1 394755 MOGCNGHSEICQCE-QZTJIDSGSA-N 302.370 2.993 0 50 DFAA Cc1cc(C)nc(SCC(=O)Nc2cccc(C(=O)O)c2)n1 1196103 LHBZQQASGVHGSV-UHFFFAOYSA-N 317.370 2.522 0 50 DFAA O=S(=O)(Nc1cccc2cccnc12)c1ccccc1O 1233330 JUAGSUBXSCUKRO-UHFFFAOYSA-N 300.339 2.741 0 50 DFAA COc1cc(OC)cc(C(=O)NCCOc2ccccc2)c1 2810626 JIEDBENFDWOMAB-UHFFFAOYSA-N 301.342 2.513 0 50 DFAA biogenic,in-vitro CCCc1nnc(SCC(=O)Nc2cccc(OC)c2)o1 4512905 YSENARCDYAJGTJ-UHFFFAOYSA-N 307.375 2.762 0 50 DFAA Cc1c(C(=O)NCc2ccccn2)oc2c1[C@@H](O)CC(C)(C)C2 4838171 ODEZNJGUKVVBEJ-ZDUSSCGKSA-N 314.385 2.919 0 50 DFAA Cc1nnc(NCc2n[nH]c(=O)c3ccccc23)c2ccccc12 8674153 UITHZAXYEXOODM-UHFFFAOYSA-N 317.352 2.787 0 50 DFAA O=C1C[C@H]([C@H]2CCCO2)C(=O)N1c1cccc(C(F)(F)F)c1 100312895 LMGMILKVWAMLBG-VXGBXAGGSA-N 313.275 2.764 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1 101127673 HOHCAYRASQLOKU-FIXIBIHLSA-N 313.353 2.547 0 50 DFAA CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1 22204647 BAHWBLGZSGIKQC-RDTXWAMCSA-N 310.397 2.611 0 50 DFAA CCC[C@H](N)C(=O)NCc1cccnc1Oc1ccccc1F 67755400 JYVSNIAVHJHTJV-AWEZNQCLSA-N 317.364 2.757 0 50 DFAA Cn1ccc(CCC(=O)N2CCC[C@]2(C)Cc2ccccc2)n1 346945444 PDVWGZYBYMEGEK-LJQANCHMSA-N 311.429 2.977 0 50 DFAA O=C1CCC[C@@H](Cc2nc(-c3cccc(Cl)c3F)no2)N1 350197195 GDCROMGQDADNHX-QMMMGPOBSA-N 309.728 2.740 0 50 DFAA COc1ccc(-c2cc(N(C)Cc3cnc(C)cn3)n[nH]2)cc1 354219192 CUWLOIZHMJFUJO-UHFFFAOYSA-N 309.373 2.820 0 50 DFAA CCCN(Cc1nccn1C)C(=O)c1ccc2c(c1)CCCO2 65434498 IZVIZSJOIPMJHC-UHFFFAOYSA-N 313.401 2.798 0 50 DFAA CCCNC(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1 229428301 CNQJZYYIRXLFFD-LSDHHAIUSA-N 324.490 2.942 0 50 DFAA Cc1cc(C)n(C[C@H](C)n2cnc3scc(C)c3c2=O)n1 32576758 SSUUAKGXSPZGOC-LBPRGKRZSA-N 302.403 2.841 0 50 DFAA Cc1ccccc1Cc1nnn(Cc2cnc(Cl)s2)n1 153261122 VAOLJFKYPCICNZ-UHFFFAOYSA-N 305.794 2.731 0 50 DFAA C[C@@H]1c2ccccc2CCN1CC(=O)NCC(=O)c1ccccc1 435045587 ZEKYGUZBDCPYKI-OAHLLOKOSA-N 322.408 2.605 0 50 DFAA O=C(N[C@H]1CCOc2ccccc21)c1ccc(CO)c(F)c1 366743854 KHFNZYZXUREDTQ-HNNXBMFYSA-N 301.317 2.572 0 50 DFAA CN(CCN1CCCC1)c1nc(-c2cccnc2)nc2c1CCC2 488438523 MSYSGLDKTVIGSW-UHFFFAOYSA-N 323.444 2.559 0 50 DFAA CN(C[C@@H]1CCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 72429653 QKOGCMPCFUUDQK-INIZCTEOSA-N 305.418 2.641 0 50 DFAA CC(C)(C)OC(=O)COCCOCCOCc1ccccc1 214943639 IGVRCUZLYJDPKK-UHFFFAOYSA-N 310.390 2.578 0 50 DFAA Cn1c2ccccc2c2cc(C(=O)N3C[C@@H]4CCN[C@@H]4C3)ccc21 216119112 KTYPMGQCAIOGBA-WMLDXEAASA-N 319.408 2.765 0 50 DFAA CC(C)n1cc([C@@H]2CN(c3ccncc3Cl)C[C@H]2CO)cn1 284559004 MCZCUTSMIWZOFO-KBPBESRZSA-N 320.824 2.725 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)c2ccccc21 177471658 FUNBRTKUECMNAS-GFCCVEGCSA-N 317.291 2.722 0 50 DFAA CCN1CCC(N(C)C(=O)c2csc(C(C)(C)C)n2)CC1 338886570 KPWFJBLKJAEYQQ-UHFFFAOYSA-N 309.479 2.997 0 50 DFAA Cc1cnccc1CN(C)C(=O)c1cc(CC(C)C)nn1C 82121173 QWVLPLCKRFUSNE-UHFFFAOYSA-N 300.406 2.594 0 50 DFAA CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1ccc(C)cc1 20602406 BVXFXJLLNGXFPR-UHFFFAOYSA-N 321.446 2.731 0 50 DFAA C[C@@H]1CCCCN1C1CN(c2nccc(-c3ccccn3)n2)C1 97713542 IJNBFPODHKAGHG-CQSZACIVSA-N 309.417 2.602 0 50 DFAA CC(C)C[C@@H]1CC(=O)N(Cc2cc3ccccc3n(C)c2=O)C1 95522577 ZOBGDDRHAYKWOG-CQSZACIVSA-N 312.413 2.933 0 50 DFAA COCC1(CSc2nnc(-c3cccnc3)n2C)CCC1 291643190 UBAUBBNVVKGNCN-UHFFFAOYSA-N 304.419 2.786 0 50 DFAA Cc1nc(N(Cc2ccc(O)cc2)CC2CC2)c2cnn(C)c2n1 179256238 QMFYJTLUCYWJPQ-UHFFFAOYSA-N 323.400 2.794 0 50 DFAA CCCc1cc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)[nH]n1 91325684 HNIYMTJCDAFXTC-UHFFFAOYSA-N 303.410 2.655 0 50 DFAA Cc1ccccc1OCCCC(=O)N1CCC[C@H]([C@H](C)N)C1 237408964 JQCADYYDXJRKCN-HOTGVXAUSA-N 304.434 2.740 0 50 DFAA Cc1ccc(N2C[C@H](C)N(CCCCCCO)CC2=O)cc1 91444641 RWHRPQNUIJRMMH-INIZCTEOSA-N 304.434 2.585 0 50 DFAA CCc1nnc(N2CCN(c3nc4ccccc4s3)CC2)o1 91769843 QGTJZUMFZWHKSR-UHFFFAOYSA-N 315.402 2.568 0 50 DFAA Cc1ccc(F)c(-c2noc(C[C@@H]3CCCS(=O)(=O)C3)n2)c1 293142957 KBYGWMJMIPBOEB-NSHDSACASA-N 324.377 2.551 0 50 DFAA 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CN(C)[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 681790448 KKXBOGLUBIZQLD-HZPDHXFCSA-N 319.836 2.963 0 50 DFAA Cn1nc(C2CCCCC2)cc1NC(=O)c1cccnc1O 151073966 QVWZUTGGSWIQLH-UHFFFAOYSA-N 300.362 2.821 0 50 DFAA CCNC(=O)c1cc(NC(=O)[C@H](C)SC)nc2ccccc12 152593940 JFPHXMUPDSEWMK-JTQLQIEISA-N 317.414 2.675 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)NCc2ccc3ccccc3c2)C1 263230002 MGQITBLJKDSNOT-SFHVURJKSA-N 312.369 2.846 0 50 DFAA C[C@@H]1Nc2ccccc2[C@@H]1C(=O)Nc1c[nH]nc1Br 1875358221 NIQFIBAIEBUULO-WRWORJQWSA-N 321.178 2.709 0 50 DFAA Brc1cnccc1-c1nnc([C@@H]2CCCOC2)o1 886084510 CVEKPACOACLSDW-MRVPVSSYSA-N 310.151 2.788 0 50 DFAA Cc1ccnc([C@@H](C)N2CC(OCc3nc(C4CC4)no3)C2)c1 888078346 KPRBBFJBIXMRMP-GFCCVEGCSA-N 314.389 2.612 0 50 DFAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 889196747 JISXZSBUDZRYLA-IAGOWNOFSA-N 316.401 2.825 0 50 DFAA c1cnc([C@H]2CCCN2c2nc(C3CCOCC3)ns2)nc1 895942413 BOLXKMWLSALVHU-GFCCVEGCSA-N 317.418 2.564 0 50 DFAA CCn1nc(C2CC2)cc1C(=O)Nc1nccc2ccncc12 898630834 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2.946 0 50 DFAA COc1ccc2[nH]c(CNC(=O)c3cnn(C(C)C)c3)cc2c1 77553687 QETFUVUFXNTOKO-UHFFFAOYSA-N 312.373 2.884 0 50 DFAA CCc1cc(-c2nn3c(Cc4ccccc4)nnc3s2)on1 71748997 IVEQUKIGLQZLCF-UHFFFAOYSA-N 311.370 2.994 0 50 DFAA C[C@@H](CC(=O)NC[C@@H](O)c1ccncc1)Cc1cccc(F)c1 121414545 BKUXSAWUABJAQD-CXAGYDPISA-N 316.376 2.639 0 50 DFAA COc1ccc(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)c(F)c1 71771344 XWEKUWMQHCALKV-LBPRGKRZSA-N 320.364 2.754 0 50 DFAA O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C(F)(F)Cl 152992926 WCFWMOLCFRSDBX-QMMMGPOBSA-N 324.705 2.739 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccnc1SC 77470747 IQPUJAWROGHRGQ-GFCCVEGCSA-N 322.430 2.751 0 50 DFAA O=C(c1cc2c(s1)CCCC2)N1CCCn2cncc2C1 72146898 CSVIQXPAFUYQHW-UHFFFAOYSA-N 301.415 2.870 0 50 DFAA O=C(/C=C/c1ccc[nH]1)N1CCC[C@](CO)(c2ccccc2)C1 367275299 TXAHLSMUMQNCKK-YXBWYFRISA-N 310.397 2.581 0 50 DFAA O=C(N1CCC[C@@H](Nc2ccccc2)C1)C1(O)CCCCC1 156454006 URKYCZRAEDFHRG-MRXNPFEDSA-N 302.418 2.785 0 50 DFAA CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)nc2)c2ccccc21 371544380 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DFAA COC1(c2noc(-c3ccncc3NC(C)=O)n2)CCCC1 1776005706 IDTZJSMWYIVTGF-UHFFFAOYSA-N 302.334 2.506 0 50 DFAA CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccnc1 174963973 VGAOKOPEZDLKSJ-QGZVFWFLSA-N 309.413 2.676 0 50 DFAA Cn1ccnc1-c1ccc(N2CCCc3ccccc3C2)nn1 2100477271 YJOBRTKJQXVJNH-UHFFFAOYSA-N 305.385 2.830 0 50 DFAA COc1ccc([C@@H]2[C@H]3C(=O)N=C(O)[C@H]3ON2c2ccccc2)cc1 18228670 NGIVGQYVXNWQGB-OAGGEKHMSA-N 324.336 2.670 0 50 DFAA CCCN(C)c1ccccc1NC(=O)C[C@H]1CCCNC(=O)C1 2325781183 UPZFISQUELYYME-AWEZNQCLSA-N 317.433 2.778 0 50 DFAA COc1cc(C2CN(C(=O)C3(OC)CCCC3)C2)ccc1F 2325782817 IZIQNJOXBXTYRB-UHFFFAOYSA-N 307.365 2.719 0 50 DFAA Cc1c2ccc(NC(=O)c3ccc(CN)s3)cc2nn1C 2325857477 CUNUUVRKTUOXIO-UHFFFAOYSA-N 300.387 2.654 0 50 DFAA c1cnn(-c2cncc(-c3ccc([C@H]4COCCN4)cc3)c2)c1 2325859612 DBDHRIOMDHJHDB-GOSISDBHSA-N 306.369 2.595 0 50 DFAA Cc1ccc(-n2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1 103936 QUIIIYITNGOFEI-UHFFFAOYSA-N 316.357 2.557 0 50 DFAA in-vitro CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)NC(=O)N1 178984 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CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccs2)nn1C 71747357 DRFVDOCZYFHCQQ-LBPRGKRZSA-N 319.430 2.790 0 50 DFAA CC[C@@H](NC(=O)C(=O)c1cccnc1)c1nc(C)c(C)s1 71738503 XYBWXTLSQBNBKR-GFCCVEGCSA-N 303.387 2.605 0 50 DFAA C[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)c2nccn21 333564636 XBXIHGJEOBWADZ-NHYWBVRUSA-N 311.389 2.984 0 50 DFAA CCOc1cccc(CNC(=O)C2(c3cc(C)no3)CC2)c1 606446102 NGLNBNRISVQFKD-UHFFFAOYSA-N 300.358 2.730 0 50 DFAA C[C@H](Sc1ccc(C(F)(F)F)nn1)C(=O)N1CCCCC1 284308924 SHOADHZNHGAJMU-VIFPVBQESA-N 319.352 2.989 0 50 DFAA Cc1ccnc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 17031214 UMDZKYKQMPBCKU-UHFFFAOYSA-N 305.403 2.820 0 50 DFAA COc1ccc(F)c(F)c1C(=O)NCc1cc(C2CC2)on1 223223641 ASNXZCXDKVJINU-UHFFFAOYSA-N 308.284 2.769 0 50 DFAA CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccc(Cl)cc1 222754228 LVWWWSMJNWZARE-HUUCEWRRSA-N 311.809 2.583 0 50 DFAA COCCC1(C)CN(C(=O)c2c(OC)cnc3ccccc23)C1 291353504 XRQDVQZVAWLUAD-UHFFFAOYSA-N 314.385 2.742 0 50 DFAA O=C(c1ccc[nH]1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 91644410 ZNRKQUPCRCZIPC-ZDUSSCGKSA-N 308.385 2.986 0 50 DFAA Cc1ccc2[nH]c(CNCCC[C@H]3CCOC3)cc(=O)c2c1 91469058 IZKUHPROPBOLIW-AWEZNQCLSA-N 300.402 2.743 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)O)o3)C2)cc1 237293600 OPMINQISQZTAOQ-GFCCVEGCSA-N 315.325 2.616 0 50 DFAA CCCn1ncc(C(=O)N(C)Cc2ccc(CC)cn2)c1C 91706561 JBCDBEAMXXJQMX-UHFFFAOYSA-N 300.406 2.831 0 50 DFAA O=C([C@@H]1COc2ccccc2C1)N(Cc1nccs1)C1CC1 95517426 JVLAOLVKRNBJQU-ZDUSSCGKSA-N 314.410 2.885 0 50 DFAA CC[C@H](C(=O)NCCc1csc(CSC)n1)n1cccn1 91645608 IQNSXSMCGTXHED-GFCCVEGCSA-N 324.475 2.513 0 50 DFAA CCc1cc(NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C)n1 180451135 STIFTQVPEHHKRT-INIZCTEOSA-N 324.428 2.808 0 50 DFAA Cc1c(CN(C)Cc2nnc(-c3cccc(F)c3)o2)cnn1C 244678789 IKEBUGNKEJIUKE-UHFFFAOYSA-N 315.352 2.550 0 50 DFAA O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccn1C1CC1 181912321 JDWBQBTXIQLADQ-MRXNPFEDSA-N 323.396 2.748 0 50 DFAA CCc1nccn1CC1(CNC(=O)c2n[nH]c3ccccc23)CC1 252501712 UIGUCIOXGQCLAI-UHFFFAOYSA-N 323.400 2.532 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)Cc1ccco1)CC2 299750927 OUTKFZWFYVHBRI-LBPRGKRZSA-N 301.390 2.890 0 50 DFAA O=C(CSCC1CC1)NCCc1nc2ccc(F)cc2[nH]1 252499146 RWBYZJFQMHEHSL-UHFFFAOYSA-N 307.394 2.504 0 50 DFAA CCOc1ccc(NC(=O)NCC[C@@H]2CCCN2C)c(F)c1 299780091 BITWHKWYOSPFEU-LBPRGKRZSA-N 309.385 2.830 0 50 DFAA CN(Cc1ncc[nH]1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299802539 YVXNCSNMPZROPJ-BBWFWOEESA-N 324.428 2.594 0 50 DFAA Cc1nc2ccc(-c3nc(C(C)C)nn3CCO)cc2nc1C 670449217 ZEAFNCNYOXSKED-UHFFFAOYSA-N 311.389 2.621 0 50 DFAA COCC1(CNC(=O)CC2CC(C)(C)NC(C)(C)C2)CCC1 670452407 HRHBKXAFNREDOS-UHFFFAOYSA-N 310.482 2.866 0 50 DFAA CC[C@H](OC)C(=O)Nc1cc(-c2ccc(O)nn2)ccc1C 952980281 JXVWXIROTQLLLI-AWEZNQCLSA-N 301.346 2.521 0 50 DFAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)C1CCCCCC1 1565508354 AFXWLQBWPQBNGY-HOTGVXAUSA-N 318.417 2.705 0 50 DFAA CCc1cc(N2CCC[C@H](c3nncn3C(C)C)C2)nc(C)n1 272829935 GQGMNJPRGNVOJY-AWEZNQCLSA-N 314.437 2.904 0 50 DFAA COC[C@H](C)[C@H](C)NCc1nnc2ccc(C(F)(F)F)cn12 170070025 RATLRTSDBDMMOC-UWVGGRQHSA-N 316.327 2.509 0 50 DFAA CS(=O)(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccco1 170614115 FFXIVJRFCRXNQL-CYBMUJFWSA-N 308.334 2.529 0 50 DFAA O=C1C[C@]2(CCSC2)C(=O)N1Cc1cc(Cl)ccc1F 170604872 DMQTWMJQTUZRDB-AWEZNQCLSA-N 313.781 2.861 0 50 DFAA C[C@@H](CNC(=O)c1cn(-c2ccc(F)cc2)nn1)c1ccccc1 170617749 VTVIFVKGCVWKKS-ZDUSSCGKSA-N 324.359 2.940 0 50 DFAA CCOc1ncccc1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 186449232 PZFHOEFRPCSPTA-NSHDSACASA-N 300.362 2.900 0 50 DFAA C[C@@H](NCCCc1cnn(C)c1)[C@@H](c1ccccc1)N(C)C 585117125 RNMOQCSYWCCVCO-QAPCUYQASA-N 300.450 2.634 0 50 DFAA CCN1CCC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 194662438 PTXFUUYAHDNVNV-AWEZNQCLSA-N 318.465 2.730 0 50 DFAA Cc1ccc(F)c(N2CCC(NC(=O)c3ccncc3)CC2)c1 195556777 MYVIFFTWLMPBPQ-UHFFFAOYSA-N 313.376 2.928 0 50 DFAA CCn1ccnc1CS(=O)(=O)[C@@H]1CCCc2ccccc21 195519922 QIZYBURNDJIZES-OAHLLOKOSA-N 304.415 2.895 0 50 DFAA Cc1nc(-c2cc(C(=O)N[C@@H](CN)C(C)(C)C)n(C)c2)cs1 1615581342 NWRDNMPRGAUIPE-AWEZNQCLSA-N 320.462 2.560 0 50 DFAA CN(C(=O)Cc1ccccc1Cl)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529100786 ZMPCJFDBTGFDKB-NMWPEEMBSA-N 307.821 2.890 0 50 DFAA CCC(=O)NC[C@@H]1Cc2cc(F)cc(-c3ccccn3)c2O1 12097316 ILIPGSZOBKOWHS-ZDUSSCGKSA-N 300.333 2.717 0 50 DFAA C[C@@H](O)c1nc(-c2ccc3sc(=N)[nH]c3c2)n(C(C)(C)C)n1 1857676976 NYLPJNPIDWPDCT-MRVPVSSYSA-N 317.418 2.776 0 50 DFAA Cc1cnnc(N2CCCN(C3Cc4ccccc4C3)CC2)c1C 1857683265 ZITZJIXBLIWSBS-UHFFFAOYSA-N 322.456 2.773 0 50 DFAA CN1CC[C@@H](CNCc2ccc3c[nH]nc3c2)[C@@H]1c1cccnc1 328639923 PVDCJPGFDNVUIO-HKUYNNGSSA-N 321.428 2.741 0 50 DFAA CC(C)(C)[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1cccs1 236714188 IVUJPNMOFJSVRX-SMDDNHRTSA-N 324.446 2.501 0 50 DFAA C[C@H](C(=O)NCc1nc(C(C)(C)C)n[nH]1)c1ccccc1F 458018450 HHYYLSPPHVIKFF-JTQLQIEISA-N 304.369 2.661 0 50 DFAA C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)c2ccccc2O1 362525321 RTWDTWBKBKIPLM-GFCCVEGCSA-N 307.353 2.920 0 50 DFAA CO[C@@H]1CN[C@H](C(=O)N(C)Cc2ccccc2-c2ccccc2)C1 952749447 FLMKLMYNKHUUBT-HKUYNNGSSA-N 324.424 2.689 0 50 DFAA Oc1cc(Cl)c(CN2CCO[C@]3(CCOC3)C2)cc1Cl 952993265 UANHOGOBZFICTI-CQSZACIVSA-N 318.200 2.690 0 50 DFAA c1ccc(-c2ccc(N3CCO[C@H](Cn4cccn4)C3)nc2)cc1 888095485 JNBBGRVNDGWRFH-SFHVURJKSA-N 320.396 2.851 0 50 DFAA COCC1(c2noc([C@@H](C)n3ccc(C(F)(F)F)n3)n2)CC1 897055177 ODOCSIYIEDQBNF-MRVPVSSYSA-N 316.283 2.572 0 50 DFAA Cc1nnc(N2C[C@H](c3n[nH]c(C(C)C)n3)[C@@H](C3CC3)C2)s1 1776007589 NNTCLNQQVQRIKT-NEPJUHHUSA-N 318.450 2.718 0 50 DFAA CC1=NN(C(=O)c2ccccc2Cl)[C@](O)(c2cccnc2)C1 78049 NESFNMLAJVIEEG-MRXNPFEDSA-N 315.760 2.802 0 50 DFAA NCCc1c[nH]c(=S)n1[C@H]1COc2c(F)cc(F)cc2C1 3948603 CWWWTTYMUOYSQA-LLVKDONJSA-N 311.357 2.501 0 50 DFAA investigational CC(=O)Oc1ccc(N2C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C2=O)cc1 100103879 LXECMFOWRUUXAV-HOTGVXAUSA-N 313.353 2.848 0 50 DFAA C[C@@H]1CC[C@H](Nc2ccc3c(c2)OCO3)[C@H](n2cncn2)C1 2325708503 XOLXDTWGDGYIRG-KWCYVHTRSA-N 300.362 2.849 0 50 DFAA O=C(c1cccnn1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782210 DIMNKIWGVFKSPV-UHFFFAOYSA-N 317.776 2.814 0 50 DFAA Cn1[nH]c(=NC(=O)Nc2cc(F)ccc2F)cc1C(F)F 2325818288 JXMGFNIJCBBERL-UHFFFAOYSA-N 302.231 2.702 0 50 DFAA C[C@H](C(=O)NCC12CCC(CC1)C2(C)C)N1CCSCC1 2325870312 SEWYGJZIRVSFAH-TUBUQKNSSA-N 310.507 2.756 0 50 DFAA CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCn2ccnc21 931525714 FYTWPXGJIAEHQH-ZDUSSCGKSA-N 312.417 2.855 0 50 DFAA Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC(C)(C)C)ccc12 150830 UUYLJJORZOMFOT-LLVKDONJSA-N 303.358 2.783 0 50 DFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 168322 PNBYWOIWUKQGPR-UHFFFAOYSA-N 305.355 2.582 0 50 DFAA Cc1c(CNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cnn1C 269016 SOYWALLSLUHSIQ-ZYHUDNBSSA-N 316.232 2.936 0 50 DFAA Oc1ccccc1Nc1nc(N2CCOCC2)c2ccccc2n1 383037 MBMWCGSFRWVYDS-UHFFFAOYSA-N 322.368 2.916 0 50 DFAA COC(=O)c1cn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12 467850 WCOVQVKDQGYLAU-UHFFFAOYSA-N 323.304 2.845 0 50 DFAA biogenic,in-vitro O=S1(=O)N=C(NCc2ccc(Cl)cc2)c2ccccc21 1124153 CEXMCVFABVRANI-UHFFFAOYSA-N 306.774 2.579 0 50 DFAA CCOc1ccc(NC(=O)CNC(=O)c2ccc(C)cc2)cc1 2887554 YKHJPJWOXKLPTA-UHFFFAOYSA-N 312.369 2.762 0 50 DFAA Cc1occc1-c1nnc(SCC(=O)N2CCCCC2)o1 4735840 CBTFRBKQPJAHOD-UHFFFAOYSA-N 307.375 2.743 0 50 DFAA NC(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 6313788 KVBZUFIVQDXXOF-UHFFFAOYSA-N 318.373 2.797 0 50 DFAA C[C@H]1C[C@H]1C(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 225662495 VDJYKSIDUDOJCO-OIBJUYFYSA-N 309.728 2.801 0 50 DFAA CCn1ncnc1[C@H](C)NCc1cc(C)c(OC(C)=O)c(C)c1 55042166 HSPDPVUKVTUTNC-ZDUSSCGKSA-N 316.405 2.691 0 50 DFAA Cc1ccc(S[C@@H](C)C(=O)NCCCN2CCCC2=O)cc1 22626259 FXYKEGJOEDGYOT-AWEZNQCLSA-N 320.458 2.604 0 50 DFAA Cc1cc(C(=O)O)ccc1N(C)S(=O)(=O)c1ccccc1 65364874 MGBBRRYTRBUDDX-UHFFFAOYSA-N 305.355 2.518 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CC[C@@]3(CCCNC3)C2)c1 67724235 OWBKDKCLTBWFRK-MRXNPFEDSA-N 308.809 2.564 0 50 DFAA Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2 253393190 WDRUSDCORHLXHM-STQMWFEESA-N 316.430 2.736 0 50 DFAA O=C(c1ccc(-c2ncn[nH]2)cc1)N(Cc1ccncc1)C1CC1 184861542 ARIWTCCIONBXMJ-UHFFFAOYSA-N 319.368 2.672 0 50 DFAA C[C@H](NC(=O)c1cccc2ccnn12)c1cn2ccsc2n1 72135504 GMOCYJFSBGSRPN-JTQLQIEISA-N 311.370 2.535 0 50 DFAA C[C@]1(c2cccnc2)NC(=O)N(Cc2sccc2Cl)C1=O 253420790 HRWWLMVHEAXYPA-CQSZACIVSA-N 321.789 2.764 0 50 DFAA Cn1ccnc1[C@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 328586323 ZAUBTCIXXACLRT-OLZOCXBDSA-N 311.376 2.952 0 50 DFAA C[C@@H](NCc1cccnc1-n1ccnc1)c1ccc2c(c1)OCO2 151481755 FGVWQTBZYDVZBN-CYBMUJFWSA-N 322.368 2.847 0 50 DFAA Cc1ncsc1CN1CCCC[C@H]1CCN1CCOCC1 72172994 XNIAAVZYBNEDMU-HNNXBMFYSA-N 309.479 2.528 0 50 DFAA Cc1ccc(S(=O)(=O)N(C)Cc2ccn(C(C)C)n2)cc1C 331094399 AJDPYTIBXFXLJL-UHFFFAOYSA-N 321.446 2.902 0 50 DFAA CC1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)CC1 33359569 ORKGWPUVQNWLEZ-SFHVURJKSA-N 316.445 2.827 0 50 DFAA Cc1c(C(=O)N2CCO[C@@H](C(F)(F)F)C2)[nH]c2ccccc12 71767895 JJPDQSPJMWFXGE-GFCCVEGCSA-N 312.291 2.880 0 50 DFAA Fc1cccc([C@@H]2CNCCN2Cc2ccc3cn[nH]c3c2)c1 261610146 BXQGRSGDMLUPOD-SFHVURJKSA-N 310.376 2.849 0 50 DFAA Cc1ncc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)[nH]1 215797397 DEIRURYPIPGMHY-MJGOQNOKSA-N 310.445 2.815 0 50 DFAA C[C@@H](Cc1cccnc1)NC(=O)CCN1Cc2ccccc2C1 215477860 YJHWQXFKFGFVSP-HNNXBMFYSA-N 309.413 2.535 0 50 DFAA CN(Cc1ccc(CCC(C)(C)O)cc1)Cc1nccn1C 72479058 BMZQWNXHTRQFPE-UHFFFAOYSA-N 301.434 2.756 0 50 DFAA COC[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 14970200 GIXTUKBSTNHLQE-NSHDSACASA-N 307.781 2.858 0 50 DFAA Cc1ccc(N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)nc1 19113449 ORQYNSXNGAESKX-QGZVFWFLSA-N 323.444 2.923 0 50 DFAA Cc1ccc(-c2nc(-c3ccncc3)no2)cc1N1CCNC1=O 95372601 KZDYNBBZWHZLOJ-UHFFFAOYSA-N 321.340 2.637 0 50 DFAA Cc1nc2cc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)ccc2[nH]1 97117059 FCIIYTBAYRBVDI-LBPRGKRZSA-N 312.417 2.570 0 50 DFAA Cc1nn(C)c2nc(N(C)Cc3cc(C(C)(C)C)n[nH]3)sc12 96149145 UOPIYWVAIPBTOI-UHFFFAOYSA-N 318.450 2.995 0 50 DFAA O=C(Cc1cccnc1)N[C@H](C[C@@H]1CCOC1)c1ccccc1 179093823 SJLCXRVROVNWMG-FUHWJXTLSA-N 310.397 2.908 0 50 DFAA Cc1n[nH]c(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 293272447 SPQSOWCWHNYBJS-LSDHHAIUSA-N 304.369 2.604 0 50 DFAA Cc1nnc(N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c2ccccc12 244719078 LWKOADWKDBXYRL-QEORTHHSSA-N 323.400 2.596 0 50 DFAA Cc1nscc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 183349866 MRXXQAGGYDVKKI-VIFPVBQESA-N 301.371 2.687 0 50 DFAA CC(C)n1cc(C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)cn1 253414623 XZRHUZAGEQSYBJ-DOTOQJQBSA-N 318.465 2.801 0 50 DFAA biogenic Cc1ccc2nc(CNC(=O)C[C@@H]3CCCOC3)[nH]c2c1C 534590088 OJSKKZRNJDIZOL-ZDUSSCGKSA-N 301.390 2.613 0 50 DFAA Cc1ccc2c(=O)n([C@H](C)c3c(C)nn(C)c3C)cnc2c1C 584887110 PUGLWUYQYRUUEL-CQSZACIVSA-N 310.401 2.973 0 50 DFAA OC[C@H]1CCCCN1CCCNCc1sccc1Cl 952979106 ZHUJERNAQPAIKQ-GFCCVEGCSA-N 302.871 2.728 0 50 DFAA CCOc1cc(N2CCC[C@@H]2Cn2cnc3ccccc32)ncn1 274726579 ZBAUQZSVVSGVJM-CQSZACIVSA-N 323.400 2.894 0 50 DFAA CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc3ccccc3s2)C1 189139752 JVQFYHBVCGAXHY-CMPLNLGQSA-N 316.386 2.954 0 50 DFAA CC[C@@H](C(=O)O)N1CCN([C@H](C)c2ccc(Cl)cc2)CC1 191437110 NAJZZPMUBGBHRF-DOMZBBRYSA-N 310.825 2.882 0 50 DFAA CC(C)c1nc([C@@H]2CCCN2C(=O)NCCc2ccco2)no1 674290873 FDUWLUYOGWZLPX-ZDUSSCGKSA-N 318.377 2.875 0 50 DFAA CC(F)(F)C1(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)CC1 1603207711 GSOOXAMECNARHB-RYUDHWBXSA-N 309.312 2.851 0 50 DFAA Fc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1 1704330054 VJQAOHCSSCDVGV-UHFFFAOYSA-N 305.378 2.746 0 50 DFAA CCOC(=O)C12CCC(NCc3ccccc3)(CC1)CC2=O 117257718 GMTQKFLEBSRAAG-UHFFFAOYSA-N 301.386 2.611 0 50 DFAA O=C(CCc1cccc(Cl)c1Cl)NC1(C(=O)O)CC1 238080403 AZQMJGIJNPDUKA-UHFFFAOYSA-N 302.157 2.659 0 50 DFAA CCc1cc2c(N3CCC(C(=O)O)CC3)nc(C)nc2s1 5017350 ZGRJOLQSUQVNSZ-UHFFFAOYSA-N 305.403 2.863 0 50 DFAA Cc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)no1 12864657 ULQQDEKRDXRZMD-UHFFFAOYSA-N 319.386 2.535 0 50 DFAA Cc1cccc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)c1 16607262 LBHSFAMWNDZDFV-GOSISDBHSA-N 316.445 2.502 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccncc1 19943469 OUWDYDDGAATZRB-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA CC(=O)OCC(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 169805752 HDEJCXYZHVBZTB-UHFFFAOYSA-N 307.337 2.832 0 50 DFAA c1ccc(CO[C@@H]2CCCN(Cc3cccc4ccnn34)C2)nc1 1857680094 BDZBWSIDWZJZHY-LJQANCHMSA-N 322.412 2.911 0 50 DFAA CN1C[C@@H](Cn2ccnc2-c2ccc3ncccc3c2)CC1=O 1857704806 GTVKINTXSPSWAM-ZDUSSCGKSA-N 306.369 2.577 0 50 DFAA c1cn([C@@H]2CCOC3(CCOCC3)C2)c(-c2cnsc2)n1 1857740685 UQPBNOOHVYPIQO-CYBMUJFWSA-N 305.403 2.907 0 50 DFAA COC(=O)[C@@H](C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1799427 GJNSAGCMQLIRMP-MRVPVSSYSA-N 322.744 2.875 0 50 DFAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 124271600 BLFJHWSTWSHFOW-WDEREUQCSA-N 308.403 2.674 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2cnn(-c3ccccc3F)c2)CCO1 154062043 MRELQIQORNPDGC-ZDUSSCGKSA-N 317.364 2.699 0 50 DFAA CN1CC[C@H](n2cc(-c3cc(Cl)cc(Cl)c3)nn2)C1=O 585091471 DFCUQDUSGUPDIO-LBPRGKRZSA-N 311.172 2.655 0 50 DFAA CC(C)c1ccc(C(=O)N2CCC(c3nnc(N)o3)CC2)cc1 585127025 OHCVUUZHTXNXOD-UHFFFAOYSA-N 314.389 2.795 0 50 DFAA Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cnn(C2CCC2)c1 934651301 SQUSSIAIAYCBCQ-INIZCTEOSA-N 313.405 2.627 0 50 DFAA CC(C)[C@@](C)(NCc1cc(Cl)nc(C(F)(F)F)c1)C(N)=O 952992378 LLVUOBPJXDQOCO-GFCCVEGCSA-N 323.746 2.743 0 50 DFAA C[C@H](NC(=O)Nc1cn(C)nc1C(F)F)c1ncccc1F 1875296561 DDKJMNHOJHFHHB-ZETCQYMHSA-N 313.283 2.775 0 50 DFAA CC1(C)C[C@@H](c2nc(-c3nc(=N)cc[nH]3)no2)c2ccccc2O1 896311821 IZBXNQCKQXZLLZ-LLVKDONJSA-N 323.356 2.632 0 50 DFAA C[C@@H](c1cnn(C)c1)c1nc([C@@H]2CCOC3(CCC3)C2)no1 897112369 MOFBBLKZBVDSFG-NWDGAFQWSA-N 302.378 2.772 0 50 DFAA COc1ccc(CN(C)C(=O)C[C@@H]2CCC3(CCC3)O2)cn1 897153433 FQHUDSPVZJBMRR-AWEZNQCLSA-N 304.390 2.540 0 50 DFAA FC(F)(F)[C@]12C[C@H]1CN(c1nnc(C3CC3)n1CC1CC1)C2 1776007396 ZIHXPSMFUFFWNP-FZMZJTMJSA-N 312.339 2.954 0 50 DFAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccnc1 174963952 VGAOKOPEZDLKSJ-KRWDZBQOSA-N 309.413 2.676 0 50 DFAA CCc1nnc(COC(=O)c2coc3c2C(=O)CCC3)s1 837914735 IFLRERPWAOWYJR-UHFFFAOYSA-N 306.343 2.570 0 50 DFAA O=C(O)c1cc2c(s1)CN(C(=O)Cc1cccc(F)c1)CC2 2325769545 VSUHXBFYZJCHAZ-UHFFFAOYSA-N 319.357 2.713 0 50 DFAA C[C@@H](NCCn1nnc2ccccc21)c1ccc2c(c1)CCO2 2325783758 ZICCOCSAXGIISR-CYBMUJFWSA-N 308.385 2.717 0 50 DFAA O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H](O)c1cccc(Cl)c1 2325875328 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Cc1ccc(-c2ccnc(N[C@@H](C)c3n[nH]c(C)n3)n2)c(C)n1 71763046 UKUWVGCEEUDHIP-NSHDSACASA-N 309.377 2.755 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)NCCn1cc(Cl)cn1 219734801 CEYSXVINGKJKAH-UHFFFAOYSA-N 316.792 2.685 0 50 DFAA O=C(CC[C@@H]1CCNC1)Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1 261848773 MLHKZMJGFIPKOH-ZOBORPQBSA-N 302.422 2.642 0 50 DFAA CCn1ncnc1CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 215407692 PMKMYWYLASIVMU-ZDUSSCGKSA-N 310.405 2.554 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CC[C@](C)(C(=O)O)C1 237185560 LLTDJPYTTKAKLV-SJCJKPOMSA-N 305.374 2.512 0 50 DFAA Cc1ncc(C(=O)N2CCC([C@@H](C)N3CCCC3)CC2)s1 72411723 CWFVOZJWYCWHOF-GFCCVEGCSA-N 307.463 2.788 0 50 DFAA Cc1occc1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 72129234 ODUDCGVNSUUFPD-SFHVURJKSA-N 324.424 2.903 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 339439552 LXVWXDQLASBTLV-KBPBESRZSA-N 322.767 2.766 0 50 DFAA COc1ccc(Cl)cc1CN(C)CCN1CCCOCC1 340283363 SAVLVMPVWNISJX-UHFFFAOYSA-N 312.841 2.503 0 50 DFAA CCCC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 40456043 SPMASVSYQIXFKB-UHFFFAOYSA-N 300.402 2.614 0 50 DFAA CC(=O)c1ccc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)s1 222581479 FUUVGMNYJXCZOS-ZDUSSCGKSA-N 317.414 2.851 0 50 DFAA COc1ccccc1CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 222724024 LZWUWVCYCXZYNJ-UHFFFAOYSA-N 315.417 2.917 0 50 DFAA CC(C)c1cc(C(=O)N2CCC3(CCC(=O)N3)CC2)cs1 221436794 CCLQUKFITCKOKT-UHFFFAOYSA-N 306.431 2.756 0 50 DFAA CSc1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)cc1 19535687 LURDDPWDQJWNFF-INIZCTEOSA-N 308.491 2.686 0 50 DFAA Cc1cc(C[C@H](C)n2cc(C3CCN(C(C)C)CC3)nn2)[nH]n1 91326900 UJEVVSCJDUXMGG-AWEZNQCLSA-N 316.453 2.701 0 50 DFAA Cc1cc(NCc2nnc(C)o2)nc(Nc2cccc(O)c2)n1 91847645 PUZOZYRYKYLQPK-UHFFFAOYSA-N 312.333 2.538 0 50 DFAA COc1ccccc1-c1cccc(-c2nc(C)nn2CCO)c1 96179742 CMHRAGLVVWCTKP-UHFFFAOYSA-N 309.369 2.921 0 50 DFAA COC(=O)c1ccc(N2CCN(c3ccnc(C)c3)CC2)cc1 95519058 QDVBYCFDTXMFPV-UHFFFAOYSA-N 311.385 2.503 0 50 DFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1ncoc1C1CC1 97172889 SIIKOCJYEOGGKH-OAHLLOKOSA-N 313.401 2.927 0 50 DFAA COc1ccccc1OC1CCN(c2nc(CO)cs2)CC1 95511033 JMHINIQDMQAOAO-UHFFFAOYSA-N 320.414 2.692 0 50 DFAA COc1ccc(CS(=O)(=O)Cc2c(C)cccc2C)cn1 622035757 FSFADLMKHJCDJJ-UHFFFAOYSA-N 305.399 2.822 0 50 DFAA O=C(Nc1ccon1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 183606613 JWSMRKDCEYGRNY-LLVKDONJSA-N 301.302 2.772 0 50 DFAA C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1C[C@@H](O)C2 257346114 REVXZRCVOUBLKK-WBRFKLNESA-N 306.446 2.930 0 50 DFAA O=C(NC[C@H]1CCCN1CC(F)F)c1cc(Cl)ccc1F 628615071 NDYHVMUQDPBHJJ-SNVBAGLBSA-N 320.742 2.938 0 50 DFAA Cc1noc([C@H](C)NC(=O)N2CCc3c(Cl)cccc3C2)n1 353303100 ZVDOJQUFAKOHTR-VIFPVBQESA-N 320.780 2.860 0 50 DFAA COCc1nc(CCc2ccccc2OC)n(C(C)(C)C)n1 670462222 FAJMJKSZJXMDEA-UHFFFAOYSA-N 303.406 2.973 0 50 DFAA CCn1cc(CN2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)cn1 1565526824 PSCFPZISLWVJQQ-SJORKVTESA-N 313.401 2.512 0 50 DFAA CCO[C@H]1C[C@@](CO)(NC(=O)c2ccc(C(C)C)nc2)C1(C)C 275629111 OMPYUUXENKNJKW-YJBOKZPZSA-N 320.433 2.501 0 50 DFAA CC(C)N1CC(=O)N(c2cc(F)cc(OC(F)F)c2)C1=O 630540033 STXPHJVTBXHBMO-UHFFFAOYSA-N 302.252 2.604 0 50 DFAA Cc1ncsc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)O 170044356 KCJDUBBORZQWFZ-NSHDSACASA-N 318.398 2.815 0 50 DFAA O=C(OCCc1c[nH]nc1C(F)(F)F)C1[C@H]2CCCC[C@H]12 170655332 KNCWKRYDFUSMJT-UWVGGRQHSA-N 302.296 2.950 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585128913 QXAFUTKLFPVONA-NBFUAULTSA-N 317.433 2.676 0 50 DFAA CC[C@H](Cc1ccc(C)cc1)NC(=O)NC[C@@H]1CC[C@@H](O)C1 195578363 GYYVDEKEWAHVAN-BRWVUGGUSA-N 304.434 2.776 0 50 DFAA COc1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)c1C 659146825 XBQAAZXFIWBKDH-ZDUSSCGKSA-N 319.401 2.967 0 50 DFAA Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1 313538 BAMRKQIYJASUPO-RIYZIHGNSA-N 300.289 2.820 0 50 DFAA CCc1c(C)sc(NC(=O)/C=C/c2ccco2)c1C(N)=O 433624 IJSMDFUNRBOYSV-VOTSOKGWSA-N 304.371 2.963 0 50 DFAA Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@@H]4CNC[C@@H]43)c2c1 213377590 AVHALKCGOSAZLK-PBHICJAKSA-N 309.413 2.594 0 50 DFAA CCSc1nnc([C@@H](C)NC(=O)c2ccc(F)cc2)n1C 12150144 LZXQEDCULNXWQH-SECBINFHSA-N 308.382 2.557 0 50 DFAA O=C(CCn1cncn1)N1CCC[C@@H](CCc2ccccc2)C1 15065053 SYIIOYZNASNIGB-KRWDZBQOSA-N 312.417 2.540 0 50 DFAA O=C1NC[C@H](NCc2ccccc2)n2nc(-c3cccs3)cc21 169754498 VBMHSKNTKVSHEN-MRXNPFEDSA-N 324.409 2.643 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cc(F)cc(F)c1 1857677932 FUGQEEIVGPTPDQ-WOSRLPQWSA-N 309.312 2.823 0 50 DFAA Cc1cn(C)nc1C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 412347149 VHASORAOYWYSFW-INIZCTEOSA-N 323.318 2.718 0 50 DFAA Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 123509435 XTEPZGSJZBTESP-XJKSGUPXSA-N 315.417 2.509 0 50 DFAA CCN(C)C(=O)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1 346497078 YMUSAHZBZJJNNW-UHFFFAOYSA-N 324.384 2.698 0 50 DFAA O=C(NCCc1ncc[nH]1)c1ncccc1Oc1ccccc1 252504820 VMLAPIKURKMRAH-UHFFFAOYSA-N 308.341 2.570 0 50 DFAA COC(CN1CCCC[C@@H]1c1nc2ccccc2n1C)OC 584908811 BUKZREMNVOFYCO-OAHLLOKOSA-N 303.406 2.719 0 50 DFAA CSC[C@H]1CCCN(C(=O)c2ccnc(-c3ncc[nH]3)c2)C1 590464700 QBVTWESEKIHTAI-LBPRGKRZSA-N 316.430 2.687 0 50 DFAA O=C(Nc1noc2c1CCCC2)c1ncnc2ccsc12 900787272 UTHRDVMDZQUXHE-UHFFFAOYSA-N 300.343 2.810 0 50 DFAA CCCCn1cc(C(=O)NC2(C(=O)O)CCCCCC2)c(C)n1 902000327 SZIMPJKBDCZKGH-UHFFFAOYSA-N 321.421 2.899 0 50 DFAA Nc1noc2cc(CNC(=O)C[C@@H]3CCC4(CCC4)O3)ccc12 911212576 LFZHRVIHGFWNCJ-LBPRGKRZSA-N 315.373 2.518 0 50 DFAA CCc1ccoc1C(=O)N1CCCC[C@H]1c1n[nH]cc1C(=O)O 952889984 KHOYACQCKPNBDX-LBPRGKRZSA-N 317.345 2.631 0 50 DFAA C[C@H]1C[C@H]1C(=O)NCc1cccc(-n2cc(C3(C)CC3)nn2)c1 1875323516 KOPOMHHWHZPWSH-SWLSCSKDSA-N 310.401 2.591 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Cc1ccccc1O 248815115 KWGHMZORHNOOLV-CRAIPNDOSA-N 324.424 2.571 0 50 DFAA COc1c(Cl)cc(C(=O)NC2(C(=O)O)CCC2)cc1Cl 164842084 YHQYUYNYLZXPEP-UHFFFAOYSA-N 318.156 2.739 0 50 DFAA Cc1nnc(CN(C)Cc2cc(F)ccc2Br)o1 683672255 KANRAENHXJKAHK-UHFFFAOYSA-N 314.158 2.912 0 50 DFAA COC(=O)c1scc(C)c1OCc1cc(Cl)n(C)n1 2325801853 YMZSRXBAQLQRRC-UHFFFAOYSA-N 300.767 2.809 0 50 DFAA CO[C@H]1CC[C@@H]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 2325804385 JQVPTNUMSWJFNO-WBVHZDCISA-N 317.429 2.620 0 50 DFAA CC(C)c1ccc(C(=O)Nc2ccc3nc(CN)[nH]c3c2)nc1 2325855819 QBTSOOXQTDWWGX-UHFFFAOYSA-N 309.373 2.792 0 50 DFAA COCc1nnc(NC(=O)c2cc(F)c(F)cc2Cl)s1 1013311 BINHBCMFNNAUHQ-UHFFFAOYSA-N 319.720 2.868 0 50 DFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1C(=O)O 3863444 MYQQKRCYCMBVIZ-SOFGYWHQSA-N 311.293 2.765 0 50 DFAA COc1ccc(-c2noc([C@H](C)NC(=O)C(C)(C)C)n2)cc1 4998209 CADRIFDBCSYVBG-JTQLQIEISA-N 303.362 2.969 0 50 DFAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCO1 6728635 CQASBORKJLTOCB-LDYMZIIASA-N 324.229 2.839 0 50 DFAA O=C([C@H]1CCc2ccccc2O1)N(Cc1ccncc1)C1CC1 411590734 VKFPOVBICBQENK-GOSISDBHSA-N 308.381 2.966 0 50 DFAA O=C(NC1CCOCC1)c1cc(C(F)(F)F)cc(Cl)n1 225503876 BLFHZNCSFLAVON-UHFFFAOYSA-N 308.687 2.663 0 50 DFAA CC(C)n1cc2cc(NC(=O)NC[C@@H]3CC[C@@H](O)C3)ccc2n1 225595590 JCHBXOWTQAISAY-IUODEOHRSA-N 316.405 2.900 0 50 DFAA CN(c1ncccc1F)S(=O)(=O)c1ccc2c(c1)CCCC2 135579969 AHPYPDGDTAFMOG-UHFFFAOYSA-N 320.389 2.925 0 50 DFAA CC(C)(C)c1ccn(Cc2cccc(S(C)(=O)=O)c2)c(=O)c1 419008323 LFPYEWMEKPEXDI-UHFFFAOYSA-N 319.426 2.598 0 50 DFAA Cc1nc(CC(=O)NC[C@H](c2ccco2)N2CCCC2)cs1 68418220 ULZDWMCWXYOHLJ-CQSZACIVSA-N 319.430 2.540 0 50 DFAA CCS(=O)(=O)N(C)C1CCN(C[C@H]2CCCC[C@H]2C)CC1 248497842 RKUVZJIJPDPHIP-HUUCEWRRSA-N 316.511 2.559 0 50 DFAA C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCC[C@H]1CCCCO1 248410144 GSJDHKBEDRPGKA-KYJSFNMBSA-N 305.418 2.617 0 50 DFAA COC(=O)Nc1ncc(CN2CCc3ccccc3C2)s1 22683670 UWRSDFGOYOCXHT-UHFFFAOYSA-N 303.387 2.880 0 50 DFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCc2cnccc21 118708642 BXQLWYIMQMFWIR-UHFFFAOYSA-N 309.325 2.770 0 50 DFAA CCN(CC)CC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 290408 ULEABQXEHYMPOJ-UHFFFAOYSA-N 312.417 2.507 0 50 DFAA biogenic CCO[C@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 229518527 QFYIDXGVANBCLR-DLBZAZTESA-N 320.408 2.646 0 50 DFAA O=C([C@@H]1CCCOC1)N1CCC[C@H]1COc1ccc(F)cc1 328586416 QDZKHVGGGLPTNG-HIFRSBDPSA-N 307.365 2.622 0 50 DFAA CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CC12CCNCC2 70253464 ANKKNXOAPCOIHY-LBPRGKRZSA-N 307.825 2.734 0 50 DFAA O=C(O)c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H](F)C1)CC2 425244248 RUPKFFHIDGYXNL-DOMZBBRYSA-N 305.349 2.798 0 50 DFAA O=C(c1csc(O)n1)N1CCC(Cc2ccccc2)CC1 363822943 PBSNPDJOIVQAPE-UHFFFAOYSA-N 302.399 2.944 0 50 DFAA O=C(c1n[nH]c2ccccc12)N1CC[C@H](O)c2ccccc2C1 374805376 IORJJZWHROGHSX-INIZCTEOSA-N 307.353 2.642 0 50 DFAA Cc1cc(=O)cc(C(=O)NCc2c(C)ccc3ncccc23)o1 215147524 CMQNSKRKSHFOJI-UHFFFAOYSA-N 308.337 2.735 0 50 DFAA CC(=O)Nc1ccc(CN(C[C@H]2CCCCO2)C(C)=O)cc1C 157230410 PZJFHKRTBWWSME-QGZVFWFLSA-N 318.417 2.871 0 50 DFAA O=C1N[C@@H](C2CC2)C(=O)N1Cc1ccc(-c2cccnc2)cc1 372898700 BRNBLOHAHDECML-INIZCTEOSA-N 307.353 2.579 0 50 DFAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](CCC(=O)O)C1 237528584 CBHZYSZEQIQBSH-CHWSQXEVSA-N 323.364 2.696 0 50 DFAA Cc1cccc2nc(C(=O)N3CCC4(CCCO4)CC3)c(F)n12 71682112 LGYFLGBQCJSEBC-UHFFFAOYSA-N 317.364 2.567 0 50 DFAA CCc1ccc(CC(=O)N2CCO[C@@](C)(c3ccccc3)C2)nc1 612359284 IPAMWWOETFIVGY-HXUWFJFHSA-N 324.424 2.961 0 50 DFAA Cc1ncsc1CCCNC(=O)c1cccc(CN(C)C)c1 426395183 NMVVGNBZFKCMLJ-UHFFFAOYSA-N 317.458 2.876 0 50 DFAA C[C@@H](CCNC(=O)c1cc(-c2ccsc2)n[nH]1)n1ccnc1 222425848 SVZOQRVENGDOBW-NSHDSACASA-N 315.402 2.716 0 50 DFAA O=C([C@H]1Cc2ccccc2S1)N1CCC(c2cc[nH]n2)CC1 426526099 LVHBVAKPWRHQAR-MRXNPFEDSA-N 313.426 2.833 0 50 DFAA Cc1ccn(C[C@H](C)NC(=O)c2cc3c(s2)CCCC3)n1 20606750 RHHRFCMFBGEPOH-LBPRGKRZSA-N 303.431 2.950 0 50 DFAA COC(=O)c1cc(C)nc2c3c(C)cc(C(F)(F)F)nc3nn12 20615718 IWBGHBMDDTZDSJ-UHFFFAOYSA-N 324.262 2.700 0 50 DFAA Cc1cccc2oc(CNc3ncc(F)c(N(C)C)n3)nc12 95366453 JYTQBOGFYHKVSQ-UHFFFAOYSA-N 301.325 2.743 0 50 DFAA Cc1ccc2nc(CCc3nc([C@H]4CCOC4)no3)[nH]c2c1C 96153234 RBDYYECUNMURPA-LBPRGKRZSA-N 312.373 2.852 0 50 DFAA CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1COc2ccccc2C1 95497012 MGYDKRLDKBKJAK-INIZCTEOSA-N 313.401 2.503 0 50 DFAA c1ccc2c(c1)OC[C@@H](CN1CCCC3(CCOCC3)C1)O2 244774254 PQPIKNAGRLMPNL-OAHLLOKOSA-N 303.402 2.719 0 50 DFAA CC[C@@H](NC(=O)c1[nH]c2c(F)cccc2c1C)[C@H]1C[C@H](O)C1 244874554 XDCXKBXEQWELCT-JTNHKYCSSA-N 304.365 2.895 0 50 DFAA CCC[C@H]1C[C@H](C(=O)NCc2nc3cc(F)ccc3[nH]2)CCO1 184094693 ODBNFDSSFDJWLZ-YPMHNXCESA-N 319.380 2.914 0 50 DFAA COc1ccc([C@@H]2CCCN2c2nccc(C#N)n2)c(OC)c1 296275630 HAOHYHQQUXYFBW-HNNXBMFYSA-N 310.357 2.707 0 50 DFAA CCc1nn(C)cc1NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 296788228 HINYHAYJLRJKGA-HNNXBMFYSA-N 313.405 2.993 0 50 DFAA CC(C)Cc1nc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)cs1 296899682 KGXZIFRUCNICQY-GFCCVEGCSA-N 310.463 2.965 0 50 DFAA CO[C@@H](C(=O)Nc1cc(C)nn1-c1ccccn1)c1ccccc1 182327961 CNWOYUCJERVMSA-QGZVFWFLSA-N 322.368 2.902 0 50 DFAA CC(C)c1noc(-c2ccnc(N3CCO[C@H](CCF)C3)c2)n1 624651469 BMDPRVJSJNWVHL-CYBMUJFWSA-N 320.368 2.820 0 50 DFAA CC[C@@H](NC(C)=O)C(=O)N(C)Cc1cc2ccccc2s1 584886172 MLKNMEIRFGHMJI-CQSZACIVSA-N 304.415 2.774 0 50 DFAA c1coc(CN2CCC(N3CCC[C@H](c4ncc[nH]4)C3)CC2)c1 670472324 FBGDGJOCMOJRHT-HNNXBMFYSA-N 314.433 2.847 0 50 DFAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCc2nocc2C1 670438453 KQTJAKJJJMZRJM-GFCCVEGCSA-N 304.371 2.786 0 50 DFAA Cc1cccc(OC[C@@H]2CCCN(CCn3cnnc3C)C2)c1 670460935 JVACIHPYUBCZSJ-QGZVFWFLSA-N 314.433 2.686 0 50 DFAA C[C@@H]1NC(=O)N(c2ccccc2NC(=O)CC2CCCC2)C1=O 952986735 AUFAMOUIJZAXLU-NSHDSACASA-N 315.373 2.650 0 50 DFAA CC[C@H]1CCC[C@@H](NC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1 408473636 FGADOXOUVPYQQN-XGUBFFRZSA-N 320.437 2.518 0 50 DFAA C[C@@H](N[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cccnc1 400391922 NOPZICMECNEYSP-FAAHXZRKSA-N 303.406 2.740 0 50 DFAA Cn1cc(-c2cc(CN3CCC[C@@H](C(F)(F)F)C3)on2)cn1 184971360 PCXLQCJMQSSERD-LLVKDONJSA-N 314.311 2.849 0 50 DFAA C[C@@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1nccn1C 275715174 YOVOPWVKLPUURD-BPUTZDHNSA-N 303.406 2.844 0 50 DFAA CCC[C@]1(C)NC(=O)N(C[C@@H](C)Oc2cccc(OC)c2)C1=O 170592657 RFXTXHSKTAPBGE-PXAZEXFGSA-N 320.389 2.573 0 50 DFAA CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2csc(C3CC3)n2)C1 189346098 PDIQMMXXAAVDRH-QWHCGFSZSA-N 320.418 2.674 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)c2cccs2)C1 190044113 QHSFQWXQUFVKHC-MVWJERBFSA-N 321.402 2.532 0 50 DFAA Cn1nnc2cc(CN3CCC(c4ccccn4)CC3)ccc21 677187306 VWAGRXQTQNMLTC-UHFFFAOYSA-N 307.401 2.743 0 50 DFAA CC(C)C[C@H](C)OC(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 585114540 ICTZXAFKWQWXSQ-AEGPPILISA-N 309.410 2.801 0 50 DFAA Cc1ccccc1CC(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653333851 USMLRVDSVVFCLV-IAGOWNOFSA-N 309.365 2.967 0 50 DFAA COc1ccc([C@H](NC(=O)NC[C@H]2CC[C@@H](O)C2)C2CC2)cc1 195578211 IWDGCLVTUXZCMM-XGWLTEMNSA-N 318.417 2.607 0 50 DFAA O=C(O)C[C@H](NC(=O)c1ccc(Cl)s1)C(F)(F)F 698798566 MDXFOQJYQUZWOW-YFKPBYRVSA-N 301.673 2.537 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@H](CO)C[C@@H]3C)co2)cs1 1615576075 OUUNKRKMNVSPTC-JQWIXIFHSA-N 320.414 2.945 0 50 DFAA CC(C)[C@@H](NC1CCN(Cc2ccco2)CC1)c1nccn1C 1506403447 RRWFMZJYOLSNCR-QGZVFWFLSA-N 316.449 2.964 0 50 DFAA Cc1ncc(CN2CCCN(Cc3cccs3)CC2)cn1 1506401295 CPSBWCRUXSCUTM-UHFFFAOYSA-N 302.447 2.554 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43CO)[C@@H]1CC[C@H]2O 1772491903 KPTQFNUKAKVGSS-MAZGHYCFSA-N 306.446 2.643 0 50 DFAA C[C@@]12C[C@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 1775979914 PLIWLJSLZNPOKH-CABZTGNLSA-N 321.320 2.616 0 50 DFAA O=C(NCCCc1ccc(F)cc1)c1cccc(-n2cnnc2)c1 12148321 DEFVNBFIGCXVDS-UHFFFAOYSA-N 324.359 2.769 0 50 DFAA O=C1C[C@H](NCc2ccccc2F)CN1CCc1ccccc1 12590000 VOFYJVXDNNCZSH-KRWDZBQOSA-N 312.388 2.759 0 50 DFAA O=C1C[C@@H](NCc2ccoc2)CN1CCc1cccc(Cl)c1 12612872 FYLPSGVHHJTFRS-MRXNPFEDSA-N 318.804 2.866 0 50 DFAA c1ccc(-n2nnnc2Oc2cccc(CNC3CC3)c2)cc1 13717682 URGBMJDJFCRBHE-UHFFFAOYSA-N 307.357 2.707 0 50 DFAA COc1c(C)cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C 16577492 DJRPULRNPHWVQW-VXGBXAGGSA-N 311.447 2.979 0 50 DFAA O=C(O)CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 2571700 DBTWXHSPFJCYJS-YFHOEESVSA-N 311.746 2.851 0 50 DFAA CC1(C)CC[C@H](N2CCN(CCc3ccccc3)C(=O)C2)C1 1857670463 OQCGTFYJWTZPSI-KRWDZBQOSA-N 300.446 2.952 0 50 DFAA COc1cc(C(=O)N[C@H](C)c2cc(F)c(F)c(F)c2)on1 225577621 RINWQDCMECJPID-ZCFIWIBFSA-N 300.236 2.592 0 50 DFAA CCn1cnc2c(Nc3ccc4c(c3)OCCCO4)ncnc21 624495987 DESJKIRLIBYOKB-UHFFFAOYSA-N 311.345 2.751 0 50 DFAA C[C@H]1NC(=O)CC[C@H]1NC(=O)C1(c2ccccc2Cl)CCC1 649998851 RKKGJFFYDPUWSA-BXUZGUMPSA-N 320.820 2.545 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)s1 238018678 YOAHUDHNDFQODD-JTQLQIEISA-N 317.366 2.742 0 50 DFAA C[C@]1(NC(=O)c2cc(F)cc3cccnc23)CN2CCC1CC2 585139324 BRFJJMQJOOKUCN-SFHVURJKSA-N 313.376 2.588 0 50 DFAA CC(C)c1occc1C(=O)N1CCC(OC(=O)N(C)C)CC1 497166406 MOTCWZXQUMZPLO-UHFFFAOYSA-N 308.378 2.706 0 50 DFAA O=C1CCCCc2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)ccc21 908597880 JVDSWRMXPBYHCT-CQSZACIVSA-N 315.369 2.533 0 50 DFAA CCn1nc(C)c(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)c1C 1123551765 PYQYKGSXAVRKPS-UHFFFAOYSA-N 323.400 2.840 0 50 DFAA C[C@@H]1CN(Cc2nc(-c3ccc(F)cc3)no2)Cc2c[nH]nc21 931455201 VHKJGKWMTJDKFZ-SNVBAGLBSA-N 313.336 2.718 0 50 DFAA CC(=O)N1CCC([C@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)CC1 952263837 VMPCZMXMXZWHAZ-INIZCTEOSA-N 318.461 2.674 0 50 DFAA Cc1cc(F)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 952991978 GVLHNXFUJYVYDW-UHFFFAOYSA-N 317.339 2.631 0 50 DFAA O=C(NS(=O)(=O)CC1CCCCC1)[C@@H]1CCC[C@H]1C(F)F 1875252120 LKYRIKFERWUORL-VXGBXAGGSA-N 323.405 2.694 0 50 DFAA CC(C)c1ccccc1CC(=O)N1C[C@@H](CCO)OC(C)(C)C1 1875315985 PNPKBBUFSRJRGT-MRXNPFEDSA-N 319.445 2.741 0 50 DFAA CN1CCC[C@@H]1C(=O)Nc1ncc(-c2cccc(F)c2)s1 889458522 FWILNSWGCRSJTN-GFCCVEGCSA-N 305.378 2.982 0 50 DFAA NC(=O)N1CCCc2ccc(N[C@H]3COC4(CCC4)C3)cc21 894091444 DFMQNNZVEWCALH-CQSZACIVSA-N 301.390 2.641 0 50 DFAA C[C@]1(O)C[C@@H](NCc2ccc(OCc3cscn3)cc2)C1 1775986524 ZYDFVPJNZCXPDU-AKAXFMLLSA-N 304.415 2.725 0 50 DFAA CC(C)(C)c1nc(C(=O)NC[C@@H](O)c2ccc(O)cc2)cs1 1776005681 HOAWWUVLCOJIPB-CYBMUJFWSA-N 320.414 2.610 0 50 DFAA O=S(=O)(NCCn1cccc1)c1ccc2ccccc2c1 1428918 MOHINTJREGGIST-UHFFFAOYSA-N 300.383 2.620 0 50 DFAA COc1ccc([C@H](C)Nc2ncc3ncn(C)c3n2)cc1F 2100557178 OVPYXZBYEDFXEY-VIFPVBQESA-N 301.325 2.684 0 50 DFAA CC1(C)CCC[C@@]1(C)NC(=O)c1csc(C[C@H]2CCNC2)n1 2325828821 SAGLWMLLBOVWRD-SJKOYZFVSA-N 321.490 2.994 0 50 DFAA O=C(Nc1nccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 50631 XBLHSVDLIMTIPF-SECBINFHSA-N 321.789 2.788 0 50 DFAA Cc1cc2c(=O)n([C@@H](C)C(=O)Nc3ccccc3)cnc2s1 1980435 SZNRPONWWTWCEN-NSHDSACASA-N 313.382 2.966 0 50 DFAA COC(=O)c1ccc(COC(=O)COc2ccccc2C)cc1 2839734 NDNGUALYMALARL-UHFFFAOYSA-N 314.337 2.904 0 50 DFAA O=C(CCC(=O)OCC(F)(F)C(F)F)NCc1ccccc1 2894565 RDXSZRVCMDUGMC-UHFFFAOYSA-N 321.270 2.527 0 50 DFAA Cc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)O)cc1C 4825231 BFIDIPSJUIVDFO-UHFFFAOYSA-N 315.325 2.725 0 50 DFAA CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1C 6701299 NQUKMJJMABTHIG-UHFFFAOYSA-N 304.419 2.725 0 50 DFAA CC(C)c1nc(CNC(=O)CCC(=O)NC2CCCC2)cs1 55132783 XORCYTGPGBZRHI-UHFFFAOYSA-N 323.462 2.722 0 50 DFAA c1ccc(-c2noc(CCc3ccc4c(c3)OCCO4)n2)nc1 113708675 XNJFIWQZJNXCFC-UHFFFAOYSA-N 309.325 2.688 0 50 DFAA COc1ccc(CN2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 28403909 PJCUADAVJLVXQT-OAHLLOKOSA-N 324.380 2.682 0 50 DFAA CCc1cnc(C)nc1N1CCC(O)(Cc2ccccc2)CC1 65453978 KCTJGDQKLAPMLO-UHFFFAOYSA-N 311.429 2.921 0 50 DFAA Cc1ccc(C)c([C@H]2CCCN2CCN2C(=O)CCC2=O)c1 134873971 VJWACMFKHYBRTA-MRXNPFEDSA-N 300.402 2.589 0 50 DFAA Cc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)s1 20363817 MKEIXYPKFBWTOL-INIZCTEOSA-N 308.491 2.868 0 50 DFAA O=C(Nc1cnccc1-n1cccn1)c1csc(C2CC2)n1 346924474 PZWGTEYKULTHOH-UHFFFAOYSA-N 311.370 2.854 0 50 DFAA Cc1cc(=O)oc(C)c1C(=O)N1CCC(c2ccncc2)CC1 67773461 TWMYLDXOMOXNKK-UHFFFAOYSA-N 312.369 2.671 0 50 DFAA O=C1C[C@@H](c2cnc3ccccc3n2)c2cc3cn[nH]c3cc2N1 65387208 HJAKVGYMKHAYPE-GFCCVEGCSA-N 315.336 2.980 0 50 DFAA Cc1noc(-c2ccc(N3CCC[C@H](c4ccn[nH]4)C3)nc2)n1 67472639 QUELAMJVSIOCAV-ZDUSSCGKSA-N 310.361 2.547 0 50 DFAA O=C(N[C@@H]1CC[C@H]1O)c1cn(Cc2ccccc2)c2ccccc12 425063210 WNDDNIASYVJSHM-IEBWSBKVSA-N 320.392 2.943 0 50 DFAA COc1cccc(C(=O)NOCc2ccc(C)cc2)c1OC 2799970 MHVYAWCOKJEVOJ-UHFFFAOYSA-N 301.342 2.874 0 50 DFAA C[C@H](CC(=O)NC(=N)NCCCc1ncc[nH]1)C1CCCCC1 71773520 FIMXKRNPMASEEN-CYBMUJFWSA-N 319.453 2.589 0 50 DFAA Cn1nc(C2CCC2)cc1NC(=O)Cc1ccc2c(c1)OCO2 158485633 RGSJTJBDDISVHJ-UHFFFAOYSA-N 313.357 2.598 0 50 DFAA CCC(N)(CC)CNC(=O)c1c[nH]nc1-c1cccc(Cl)c1 236805939 QTPCXNHYKSPLJN-UHFFFAOYSA-N 320.824 2.977 0 50 DFAA CCCc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)s1 236944003 ZXZRBKKXYIVCDY-GFCCVEGCSA-N 318.398 2.521 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](C)c1ccc(F)c(F)c1 241701784 QLANUQCWEUPLFH-NTZNESFSSA-N 313.344 2.726 0 50 DFAA Cc1cn2c(n1)CN(C(=O)Cc1ccc3ccccc3c1)CC2 374709084 FRWCWDUTMXAUDS-UHFFFAOYSA-N 305.381 2.930 0 50 DFAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cn3ccccc3n2)C1 281894628 QFDJZEUMCMJKNR-SJORKVTESA-N 311.360 2.781 0 50 DFAA CC[C@@H](Cn1ccnc1)NC(=O)c1c(C)oc2c1C(=O)CCC2 223084563 OECMDASKQBXDAJ-LBPRGKRZSA-N 315.373 2.512 0 50 DFAA Cc1csc([C@@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1 225215328 ZWKXYSDZTYQTPU-PWSUYJOCSA-N 320.418 2.846 0 50 DFAA COCCCNC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1 96165635 KXLWSSYHWGCIBP-GOSISDBHSA-N 313.397 2.871 0 50 DFAA CCC[C@@]1(CO)CCCN(Cc2ccccc2OCC(=O)O)C1 91876874 SWHXDPUNFBECRE-GOSISDBHSA-N 321.417 2.525 0 50 DFAA c1ccc(-c2nc(CNc3cc([C@@H]4CCOC4)ncn3)co2)cc1 426544828 OAGRSLZWWDLNOV-CQSZACIVSA-N 322.368 3.248 0 50 DFAA O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1nc[nH]n1 179343968 WTUDOQCNIAAOIX-AWEZNQCLSA-N 307.357 2.720 0 50 DFAA COCc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1 299351284 KJKJUVKPMUNVRK-XHSDSOJGSA-N 317.385 2.691 0 50 DFAA COc1nccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)n1 294892593 RNRBYVNXRDIPJT-UHFFFAOYSA-N 312.348 2.664 0 50 DFAA CC1(C)CC(CNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 626591914 IIWVZXRAOIMYDT-MRXNPFEDSA-N 314.429 2.701 0 50 DFAA COc1ccccc1[C@@H]1CN(CC(=O)O)Cc2ccccc2O1 299755160 CSSFHFXJPSICPO-KRWDZBQOSA-N 313.353 2.716 0 50 DFAA CCN(C(=O)Nc1ccc(C)c(C(C)C)c1)[C@H]1COC[C@@H]1O 299766120 AOCMWZCLYTVHIS-HOTGVXAUSA-N 306.406 2.732 0 50 DFAA CCN1CCC[C@H]1CNc1ncnc2sc(C(=O)O)c(C)c12 299780839 DALGMIXLFYSYMA-JTQLQIEISA-N 320.418 2.594 0 50 DFAA COCCn1ccnc1CN1CCc2c([nH]c3ccccc23)C1 824466645 ZWBIRGTVBPDVKS-UHFFFAOYSA-N 310.401 2.569 0 50 DFAA CCCn1cnnc1[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1 584888775 BLPQZJGYHBWWKB-SECBINFHSA-N 310.760 2.972 0 50 DFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccccc1-c1ccccc1 1565505941 VFVVPZFOGFFOBD-ROUUACIJSA-N 311.381 2.887 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C2)n1 408051164 GXGIEVUAHXRHEV-GFCCVEGCSA-N 305.765 2.970 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cccc3cc[nH]c23)cn1 275360262 NWFAYOUSRIWNFX-DOTOQJQBSA-N 324.384 2.644 0 50 DFAA CCOc1ncccc1-c1noc(-c2cnn(CC3CC3)c2)n1 632040126 XYEJZCLRDZTIQL-UHFFFAOYSA-N 311.345 2.804 0 50 DFAA COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1cc(C)on1)CC2 277328245 YBXFCXLRRSZTGQ-HNNXBMFYSA-N 300.358 2.680 0 50 DFAA O=C1[C@H](NCc2cocn2)CCCN1c1ccccc1Cl 170089065 QSALTXKXRCCRON-CYBMUJFWSA-N 305.765 2.613 0 50 DFAA C[C@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 170676058 GCRCTSALGDXIKR-DOMZBBRYSA-N 317.410 2.739 0 50 DFAA Cc1ccc(CNCc2cncs2)c(-n2cc(Cl)cn2)n1 190307686 QLTYCKUWEFRELR-UHFFFAOYSA-N 319.821 2.975 0 50 DFAA Cc1cnccc1CCNC(=O)Nc1ccnc(C2(C)CC2)n1 585119893 ZASGWCXXIJWXBM-UHFFFAOYSA-N 311.389 2.596 0 50 DFAA O=C(c1ccc(Cl)cc1NC(=O)[C@H]1CCCO1)[C@@H]1CCOC1 585125291 MQFXYPLWOBVNHZ-QMTHXVAHSA-N 323.776 2.677 0 50 DFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCO2 195413021 LLBSODNQEXOZBH-OAHLLOKOSA-N 316.401 2.597 0 50 DFAA OC[C@]1(c2ccccc2)CCN(Cc2cnc3ccccc3n2)C1 660599181 YNBJWNXEKWGYKO-FQEVSTJZSA-N 319.408 2.766 0 50 DFAA CC[C@H](O)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC 1615570889 BQPVTMIXQQHXCL-QLFBSQMISA-N 314.470 2.773 0 50 DFAA Cc1cnc(NC[C@H](c2ccco2)N2CCCC2)nc1N(C)C 1529107156 XAOXXHYBCMYERQ-CQSZACIVSA-N 315.421 2.693 0 50 DFAA c1cncc(CN2CCC([C@H]3CCN(c4cnccn4)C3)CC2)c1 12449459 UFESNVZKUKOMFN-SFHVURJKSA-N 323.444 2.610 0 50 DFAA COc1ccc(OC[C@H](C)NC(=O)c2cccc(OC)c2)cc1 13675328 CRKWYXHGWAJHPR-ZDUSSCGKSA-N 315.369 2.901 0 50 DFAA O=C(COc1ccc(Cl)cc1)N1CCOC2(CCCC2)C1 151395685 NKPDIBDVRMRPMI-UHFFFAOYSA-N 309.793 2.890 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cccn2C)n[nH]1 408473316 IULQWUZHVMOECQ-LBPRGKRZSA-N 301.394 2.634 0 50 DFAA COCc1nc([C@@H]2CCCCN2Cc2cnoc2C2CC2)n[nH]1 408473680 AQMQSWSCEZEOEC-ZDUSSCGKSA-N 317.393 2.544 0 50 DFAA CC(C)n1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)n1 408512925 CYLDNQAUNPHWNR-UHFFFAOYSA-N 317.780 2.924 0 50 DFAA CCn1cc(S(=O)(=O)N(C)c2cc(C)ccc2C)nc1C 330559063 GWXYBHZDTCBOJV-UHFFFAOYSA-N 307.419 2.653 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 238082655 FKEMLEWIHOFEAV-LBPRGKRZSA-N 305.349 2.571 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1F 253395652 YYPORWAWGBAJON-JSGCOSHPSA-N 305.328 2.630 0 50 DFAA COC1(CCN2CCOc3c(cccc3C(=O)O)C2)CCC1 903927978 NSLWGBZRCMPHCD-UHFFFAOYSA-N 305.374 2.538 0 50 DFAA CCn1ncc(CNC2(c3ccc(OC)cc3)CCCC2)n1 838946015 JYMAYTUJUVUQTO-UHFFFAOYSA-N 300.406 2.866 0 50 DFAA Cc1nn(C)c2cc(NC(=O)c3cc(C(F)F)n(C)n3)ccc12 936068875 XEBDJBRRFNLUHM-UHFFFAOYSA-N 319.315 2.805 0 50 DFAA Nc1c[nH]nc1[C@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 864382403 QWTMSHFQLFBBGO-LWUPOJRFSA-N 310.401 2.801 0 50 DFAA O=C(Nc1cccc(N2CCSCC2)n1)N1CCCCC1 1875296556 DAULOSYWLDXNIL-UHFFFAOYSA-N 306.435 2.653 0 50 DFAA Cn1cc(-c2cc(C(=O)N3CC[C@H]3Cc3ccccc3)on2)cn1 1875283279 MFFMGXPTMZZGPC-HNNXBMFYSA-N 322.368 2.532 0 50 DFAA CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)OCC3)on1 1875265639 HPLJLJDMXPFBGJ-UHFFFAOYSA-N 322.386 2.708 0 50 DFAA Clc1ccc([C@H]2C[C@H](Nc3nccn4nnnc34)C2)cc1 885710216 CIHPBIREDMTYFC-UMSPYCQHSA-N 300.753 2.531 0 50 DFAA Cn1c(=O)c(CNc2cnc3c(c2)COCC3)cc2ccccc21 1178321816 NAJWIWYQTHXPIZ-UHFFFAOYSA-N 321.380 2.618 0 50 DFAA c1ccc(-c2nc3c(c(N4CC5(CCOCC5)C4)n2)CCC3)nc1 893937511 JGHSNMUXFWAXTG-UHFFFAOYSA-N 322.412 2.644 0 50 DFAA CN(C)CCOCCN[C@H](Cc1ccncc1)c1ccccc1 1775993508 DKVCEQWFBDQHMN-LJQANCHMSA-N 313.445 2.533 0 50 DFAA Nc1nonc1-c1nc2ccccc2n1Cc1cccc(F)c1 268741 NDHUFPMRSFLODQ-UHFFFAOYSA-N 309.304 2.856 0 50 DFAA C[C@@]1(c2cccnc2)OC(=O)N(CCc2ccccc2)[C@@]1(C)O 4709119 ACFVCYZIRGWJBP-ROUUACIJSA-N 312.369 2.700 0 50 DFAA CC[C@@H](C)C(=O)N1CC(=O)N(c2ccc(OC)cc2)C(C)(C)C1 12099652 UCYWNDCAOHATBQ-CYBMUJFWSA-N 318.417 2.695 0 50 DFAA CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)OC2(C)C)n1cccn1 2325781029 DLZDKFSOWPFDGI-CQSZACIVSA-N 313.357 2.878 0 50 DFAA COc1cc2c(cc1O)-c1c(OC)c(O)cc3c1[C@H](C2)NCC3 85997240 URQAEFLEDPPPFX-LBPRGKRZSA-N 313.353 2.525 0 50 DFAA biogenic,in-vitro O=C(Nc1cnn(C2CCNCC2)c1)[C@@]12CC[C@@H](CC1(F)F)C2 2332239238 WEHRURJGZHOEIL-ABAIWWIYSA-N 324.375 2.572 0 50 DFAA CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1 134494 ZBTFDTXUZXPFKC-UHFFFAOYSA-N 324.489 2.893 0 50 DFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 317264 FAAOWWHOPWHDNK-UHFFFAOYSA-N 323.345 2.722 0 50 DFAA O=C(NCc1ccccc1Cl)[C@@H]1COc2ccccc2O1 435153 VJLZOOIYFSTMLQ-HNNXBMFYSA-N 303.745 2.796 0 50 DFAA CCC(CC)C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 614932 WIAOUXZJCYKWNP-INIZCTEOSA-N 318.417 2.970 0 50 DFAA O=C(Nc1cc2nsnc2c2nsnc12)c1ccccc1 802072 UHUKMDGARCYXCY-UHFFFAOYSA-N 313.367 2.948 0 50 DFAA Cc1cc(=O)nc(-c2ccc(Nc3cccc(C(N)=O)c3)cc2)[nH]1 2356145396 AKWNHKNVKXFFDS-UHFFFAOYSA-N 320.352 2.588 0 50 DFAA O=C(CCc1ccccc1Cl)N1CCC[C@@]12CCCNC2=O 2356163305 XFVSLLWVGWNTMC-QGZVFWFLSA-N 320.820 2.544 0 50 DFAA COc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)n2ccccc12 3818388 SNMCWIDCSPHZRD-UHFFFAOYSA-N 324.336 2.768 0 50 DFAA in-vitro CCCCNC(=O)N[C@@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2 4171543 YSGIOGYRVWQLRA-URZJAHPPSA-N 322.449 2.844 0 50 DFAA COC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccco1 4954788 PPHZSPZVGVEVPU-FMIVXFBMSA-N 305.717 2.877 0 50 DFAA CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 6742369 CNICWUHAASFHNJ-UHFFFAOYSA-N 304.419 2.725 0 50 DFAA Cc1ccc(Cn2ncc3c(-n4nc(C)cc4C)ncnc32)cc1 6759588 DUIWQQRNJASTGV-UHFFFAOYSA-N 318.384 2.986 0 50 DFAA CC[C@@H]1C[C@@H]1NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 222065609 MDCSCDFTVJCYDX-KBMXLJTQSA-N 302.418 2.664 0 50 DFAA CC(C)CN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 8765338 FZYIUFYYRMCJQG-LJQANCHMSA-N 321.380 2.698 0 50 DFAA biogenic C[C@H](NC(=O)N1CCOc2cccc(F)c2C1)c1nccs1 413635573 DEDNQJFWWLDXLI-JTQLQIEISA-N 321.377 2.947 0 50 DFAA Cc1ncc(CN2CCN(C(=O)CC3=CCCCC3)CC2)s1 110943232 JTQRLPDNMFCSDD-UHFFFAOYSA-N 319.474 2.986 0 50 DFAA CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@H]1CCCC(=O)N1 345538090 ICGOMRLHMSDFEQ-GFCCVEGCSA-N 324.808 2.526 0 50 DFAA Cc1cnn(CCCn2ccnc2-c2cccc3nonc23)c1 67818817 IBIZGVWNNNHFFT-UHFFFAOYSA-N 308.345 2.682 0 50 DFAA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)C(=O)c1ccco1 67785981 MATRIJMHHOJFGQ-UHFFFAOYSA-N 309.325 2.511 0 50 DFAA C[C@@H](Cc1ccccn1)N(C)CCn1c(=O)oc2ccccc21 67588531 JXRUVAXLGXMWJS-AWEZNQCLSA-N 311.385 2.553 0 50 DFAA COC(=O)c1sc(NC(=O)[C@@H](C)c2ccccc2)nc1C 473464 WLAFSKSWGROUMR-VIFPVBQESA-N 304.371 2.980 0 50 DFAA Cc1cc(C)n(C[C@@H](C)n2cnc3scc(C)c3c2=O)n1 32576760 SSUUAKGXSPZGOC-GFCCVEGCSA-N 302.403 2.841 0 50 DFAA CCc1[nH]c2c(CNC(=O)c3ccc(=O)[nH]c3)cc(C)cc2c1C 71760363 UVBVRTGYMUGCSC-UHFFFAOYSA-N 323.396 2.965 0 50 DFAA Cc1ccc2[nH]c(CCC(=O)NC[C@H]3CCCCO3)nc2c1C 216943472 FTKKYZTZMLWXQH-CQSZACIVSA-N 315.417 2.798 0 50 DFAA CCc1ccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)cc1F 120050453 UMQYBKLXIRWEQO-LLVKDONJSA-N 307.369 2.507 0 50 DFAA C[C@H](C(N)=O)N(C)Cc1ccc(OCCc2ccccc2)cc1 215962984 JKIYPSPATOOYPU-OAHLLOKOSA-N 312.413 2.614 0 50 DFAA CN(C[C@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1 121196004 CUZKTHKAJPVSBU-KRWDZBQOSA-N 302.466 2.636 0 50 DFAA CCCc1nc(C)c(CNC(=O)c2cnc(SC)nc2)s1 219285651 CTTTVRWZQMDRQP-UHFFFAOYSA-N 322.459 2.846 0 50 DFAA CN(Cc1nccn1C)C(=O)c1ccc2c(c1)C(C)(C)C(O)=N2 328871237 PXDWQDLCNXETQL-UHFFFAOYSA-N 312.373 2.572 0 50 DFAA Cc1nn(C)c2c1[C@H](c1ccc(Br)cc1)CC(=O)N2 72115389 NETOIMZTPBPEGX-NSHDSACASA-N 320.190 2.965 0 50 DFAA CSCC(=O)N(CCc1ccccc1)CC1CCN(C)CC1 12572834 SRQIRSSKQMTKBP-UHFFFAOYSA-N 320.502 2.763 0 50 DFAA COc1ccc(-c2cnc(CN3CC[C@@]4(CCOC4)C3)o2)cc1 153892146 LMKTWOGXTHJMQW-GOSISDBHSA-N 314.385 2.963 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)c1cnc(C(F)(F)F)nc1 155545843 LZMLIIJRCNGYRH-SECBINFHSA-N 310.279 2.724 0 50 DFAA Cc1ncccc1C(=O)N1CCO[C@@H](Cc2ccc(F)cc2)C1 39500664 SBWYGGGJRXZSRG-INIZCTEOSA-N 314.360 2.613 0 50 DFAA NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1 34892269 JESCETIFNOFKEU-SJORKVTESA-N 314.360 2.683 0 50 DFAA investigational CCc1ccc(C(=O)N2CCCC3(CCN(C)CC3)CC2)[nH]1 219249123 MNYLNINWJXFOCH-UHFFFAOYSA-N 303.450 2.915 0 50 DFAA CC(=O)N1CC[C@H](Nc2cn(C)nc2C)c2ccc(F)cc2C1 372364767 HJBRWTHJDQOIBV-INIZCTEOSA-N 316.380 2.773 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCO[C@H](C)C2)cc1)C(=O)O 262849036 TUQDNKCIOJTZCE-OUCADQQQSA-N 305.374 2.703 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(Cl)ccc2F)C1 379233719 TZSIZQMLHCNPTP-GZMMTYOYSA-N 324.705 2.973 0 50 DFAA C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2CCOC2)CC1 172799287 PRZNOABJLNYPLR-HIFRSBDPSA-N 322.836 2.582 0 50 DFAA COc1ccc(-c2noc(CN[C@@H](C)Cc3ccccn3)n2)cc1 71403943 ZRKFNXBLVIBFQP-ZDUSSCGKSA-N 324.384 2.861 0 50 DFAA Cc1nn(C)c(C)c1CNC(=O)N1CCC[C@H](C(F)(F)F)C1 173467216 GFHHEONFBUPNJQ-NSHDSACASA-N 318.343 2.521 0 50 DFAA CC(C)Cc1nsc(NC2CCN(C[C@H]3CCOC3)CC2)n1 239761269 CJKLDLPSKXIGSE-CYBMUJFWSA-N 324.494 2.649 0 50 DFAA CCN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1COC 337798867 FNUXMFBVCKXDRQ-UHFFFAOYSA-N 321.398 2.754 0 50 DFAA Cc1nccn1CC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 457863520 DJNVTNBEFIKSOC-UHFFFAOYSA-N 315.392 2.957 0 50 DFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCCCC2 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CC(C)(C)c1cc(=O)n(Cc2ccc(-n3cccn3)cc2)cn1 585084857 ZHHQTFTZKXYGTH-UHFFFAOYSA-N 308.385 2.775 0 50 DFAA CN1CCC[C@@H]1c1cc(C(=O)NCC2(c3ccccc3)CC2)n[nH]1 585132283 SALFEUATKLRNDN-QGZVFWFLSA-N 324.428 2.638 0 50 DFAA CC[C@@H](Nc1cccnc1Cl)C(=O)NCCc1ccccn1 585121988 IXLATKLPMQSKQH-CYBMUJFWSA-N 318.808 2.679 0 50 DFAA Cc1cc2nccc(NC(=O)CCCOCc3ccccc3)n2n1 585113958 OWQKYADVMMXFPG-UHFFFAOYSA-N 324.384 2.973 0 50 DFAA Cc1nccn1Cc1nc(-c2ccc(N3CCCCC3)nc2)no1 585133729 SIIURAFBVRWYCE-UHFFFAOYSA-N 324.388 2.675 0 50 DFAA Cc1cc(C2CCN(C(=O)CCc3csc(C)n3)CC2)n[nH]1 760425540 GCOIWEQMHGCTIE-UHFFFAOYSA-N 318.446 2.822 0 50 DFAA O=C(C1CCCC1)N1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1615956554 QMYBIWAFIWQCKA-LPHOPBHVSA-N 324.424 2.787 0 50 DFAA C[C@H](Cn1cccn1)NC1CCN(c2ccc(F)c(F)c2)CC1 1506397574 WLPFIYSRNBPXNZ-CYBMUJFWSA-N 320.387 2.808 0 50 DFAA COCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(C)cc1 12274346 RATBBFYIJYKGRO-UHFFFAOYSA-N 322.368 2.974 0 50 DFAA O=C(NC1CCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607599 KXJNASTZSPHPGR-AWEZNQCLSA-N 318.392 2.737 0 50 DFAA COc1cccc(-c2nc(C(=O)N(C)C)nn2-c2ccccc2)c1 13519546 UEEAAHOLTSYEAY-UHFFFAOYSA-N 322.368 2.645 0 50 DFAA Cc1cc2c(cn1)CN(C(=O)c1cccc(-c3noc(C)n3)c1)C2 1857675139 LUBPZMHBKUEHEY-UHFFFAOYSA-N 320.352 2.904 0 50 DFAA Cc1cc2c(cn1)CN(C(=O)c1csc([C@@H](N)C(C)C)n1)C2 1857676820 MHZBTMKCBWQBBY-AWEZNQCLSA-N 316.430 2.658 0 50 DFAA O=C(Cc1ccc(Cl)s1)NCCCCn1ccccc1=O 225762520 BHYQMGRQNJWCBW-UHFFFAOYSA-N 324.833 2.702 0 50 DFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@]1(C)CCOC1 131125273 AZEUUCSEFJXVHW-INIZCTEOSA-N 319.792 2.743 0 50 DFAA CN[C@H]1CCCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)C1 133977830 WNRDAUIONWZFJM-LBPRGKRZSA-N 319.430 2.844 0 50 DFAA COc1ccc2c(c1)c(C(=O)NCCO)c(C)n2C1CCCC1 159357254 MTXMXMYAMQCAQX-UHFFFAOYSA-N 316.401 2.796 0 50 DFAA CC(C)c1cccc(C(=O)N2CCc3occc3[C@@H]2C(=O)O)n1 910202971 NTBLHNBEAOEYFY-OAHLLOKOSA-N 314.341 2.622 0 50 DFAA CCc1onc(C)c1NC(=O)NCc1ccc2c(c1)ncn2C 930572346 OJJQDBWRPFZGRV-UHFFFAOYSA-N 313.361 2.754 0 50 DFAA CCN(CC(C)C)c1nc(Cc2nc(COC)no2)cs1 1875347590 QLJOLEIMVVOJNI-UHFFFAOYSA-N 310.423 2.746 0 50 DFAA C=CC(=O)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(C(N)=O)cc1C 1875388552 GKFSHJNJZYAVFQ-DZKIICNBSA-N 310.397 2.825 0 50 DFAA O=C(Cc1ccc(-n2ccnc2)cc1)Nc1ccnn1C1CCC1 890365837 HXJZUSUNBJKMJO-UHFFFAOYSA-N 321.384 2.975 0 50 DFAA C[C@H]1OC(=O)N[C@@H]1C(=O)NCCc1cccc(-c2ccccc2)c1 841405401 SGGWQKIOWJCASB-DYVFJYSZSA-N 324.380 2.509 0 50 DFAA c1cc(-c2nnc3ccc(=N[C@@H]4CCC[C@H]4C4CC4)[nH]n23)ccn1 2325767433 QZFIPHFNIGNQAN-LSDHHAIUSA-N 320.400 2.599 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCCc2ccncc21 2325802473 JDTCPRNSWJAWTB-UHFFFAOYSA-N 302.761 2.963 0 50 DFAA O=C(OCC12COC(CF)(C1)C2)c1c(O)cccc1Cl 2325814101 USKAPQIQVRBAMW-UHFFFAOYSA-N 300.713 2.721 0 50 DFAA Cc1cc(C)cc(-n2[nH]c(=NC(=O)c3ccoc3CN)cc2C)c1 2325857724 MTWMUTFRCIYPIR-UHFFFAOYSA-N 324.384 2.523 0 50 DFAA N[C@@H](CCNC(=O)NC1C[C@H]2CC[C@H](C1)C2)Cc1ccccc1 2325866768 ZHOXDBFMKHIDMZ-ULQDDVLXSA-N 315.461 2.824 0 50 DFAA COc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187763 PVTSPWQHECKMLA-IAGOWNOFSA-N 322.364 2.865 0 50 DFAA biogenic O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(F)cc1 255417 NBYUVZASTQYABQ-UHFFFAOYSA-N 306.724 2.848 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1 452303 HRLDAAVSXDKROY-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA CCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 462401 IHDZSDITIUFBDG-UHFFFAOYSA-N 312.325 2.986 0 50 DFAA Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)n1 609447 CRWVYZYFICNZES-INIZCTEOSA-N 311.385 2.783 0 50 DFAA O=C(NCc1cccnc1)c1cc2cc(Cl)ccc2oc1=O 1053309 BPEUALWTISAQIX-UHFFFAOYSA-N 314.728 2.771 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)NCc3ccccc3)C2)cc1 4104039 RSBQFVIWASNLDN-QGZVFWFLSA-N 310.353 2.505 0 50 DFAA biogenic CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)c(F)cc1F)C(=O)O 4241918 FTWHJNNFVISGNQ-NSHDSACASA-N 319.279 2.624 0 50 DFAA O=CNCCCc1nc2ccccc2n1Cc1ccccc1F 4810147 HKWBBVDOANKRQI-UHFFFAOYSA-N 311.360 2.902 0 50 DFAA COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 4839057 FWVGUHCMTPJSKU-INIZCTEOSA-N 321.332 2.977 0 50 DFAA COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101023025 RYNPVMZONPCMNQ-LBLXLQPISA-N 303.745 2.660 0 50 DFAA CCc1ncc(CN(CCc2ccccc2)[C@H]2CCOC2)cn1 414413751 SICNSBJJKKLMMQ-SFHVURJKSA-N 311.429 2.873 0 50 DFAA COc1ccccc1NC(=O)CC(=O)Nc1cccc(F)c1 57291836 VAFVFCQRCKEZOU-UHFFFAOYSA-N 302.305 2.802 0 50 DFAA Cc1cccc(C)c1NCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 245885879 KTZDEOZWLTVYES-BMGDILEWSA-N 314.429 2.789 0 50 DFAA Cc1nc2ccccc2nc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2N(C)C 101998791 PTHCMDZSDGTNPU-QWHZDKJVSA-N 310.445 2.710 0 50 DFAA Cc1cc(C)c(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 100241216 MROOOLMTEWZSTB-GASCZTMLSA-N 311.381 2.746 0 50 DFAA O=C(O)[C@@H]1C[C@@H](OCc2ccccc2)CN1Cc1ccccc1 100445897 ZQOGQRMHCXHWHK-MSOLQXFVSA-N 311.381 2.931 0 50 DFAA Cc1nc(CN2CCOC[C@H]2C[C@@H](O)c2cccs2)cs1 247056904 VUPJPXMDSNJUGR-ZIAGYGMSSA-N 324.471 2.838 0 50 DFAA O=C1C[C@H](c2ccc3c(c2)OCCO3)c2cc3cn[nH]c3cc2N1 65407431 HKLFRVOKNMVYOA-GFCCVEGCSA-N 321.336 2.808 0 50 DFAA CCCCNS(=O)(=O)c1cc(OCC)c(C)cc1OCC 170623972 PKMYSKKBHVLGIH-UHFFFAOYSA-N 315.435 2.871 0 50 DFAA COc1ccccc1OC1CN(Cc2c(C)nn(C)c2Cl)C1 65491339 CIYYDFYOQKTTGD-UHFFFAOYSA-N 321.808 2.654 0 50 DFAA COc1ccc(CNC(=O)c2cn[nH]c2)cc1OC1CCCC1 171343158 MPTYPPWOCGVXLX-UHFFFAOYSA-N 315.373 2.670 0 50 DFAA CC(C)CO[C@@H]1CCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 119609403 VKWDCVZWIDINEO-MSOLQXFVSA-N 316.445 2.753 0 50 DFAA Oc1ccccc1N1CCN(C(=S)NC2CCCCC2)CC1 1460295 DHSJOKWXOVZODV-UHFFFAOYSA-N 319.474 2.721 0 50 DFAA Cc1nc2ccc(CNC(=O)[C@@H](C)c3ccc(O)cc3)cc2[nH]1 216501036 UAVJTSNGOJAZKE-NSHDSACASA-N 309.369 2.997 0 50 DFAA COc1cccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=S)c1 2789481 BKHCPUVJWWXZFQ-MRXNPFEDSA-N 324.405 2.754 0 50 DFAA O=C(CN1CCC[C@@H](CCc2ccc(F)cc2)C1)NC1CC1 72148452 VQVWZNZVSSFXKG-HNNXBMFYSA-N 304.409 2.749 0 50 DFAA CCCc1nc(N2CCOC(CC)(CC)C2)c2cnn(C)c2n1 72172539 WOJONCBZFJKXNT-UHFFFAOYSA-N 317.437 2.711 0 50 DFAA C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)C[C@@H](C)N1 153811100 MDVLPTRKFSTQRJ-GHMZBOCLSA-N 319.405 2.772 0 50 DFAA Cc1oc(CNC(=O)[C@H]2CSc3ccccc32)cc1C(=O)O 261833297 BLVXITHXOCRMRK-ZDUSSCGKSA-N 317.366 2.792 0 50 DFAA CCCC(CCC)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 373294305 RJPQFBNGIOUGFR-OAHLLOKOSA-N 310.482 2.915 0 50 DFAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 33270399 XJCVIFXYLWFFOV-AWEZNQCLSA-N 324.377 2.902 0 50 DFAA C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c2nccn21 333226891 XGLFRTOBTMEBRE-WDMREZPVSA-N 314.433 2.967 0 50 DFAA COCC1(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3N2)CCCC1 223682931 JSXZNSDXFFVRNZ-HNNXBMFYSA-N 322.836 3.000 0 50 DFAA CC(C)c1cc(C(=O)NC[C@@H](C(=O)O)c2ccc(F)cc2)no1 263483485 BBSPHCUAPSCVSO-GFCCVEGCSA-N 320.320 2.535 0 50 DFAA CC1(NC(=O)C2CCN(CC(F)F)CC2)Cc2ccccc2C1 225563129 OVAJMXFMKZHHBT-UHFFFAOYSA-N 322.399 2.637 0 50 DFAA Cn1cc(Cl)c(C(=O)N2CCC(c3cccc(O)c3)CC2)n1 97553364 WCYSMFWSZPARBF-UHFFFAOYSA-N 319.792 2.799 0 50 DFAA N[C@@H]1CC[C@H](NC(=O)c2cccc(-c3ccc(O)cc3F)c2)C1 426574750 AXHRPACYNADOJC-KGLIPLIRSA-N 314.360 2.808 0 50 DFAA CN1CCC[C@]2(CCN(CCCCOc3ccccc3)C2)C1=O 91563065 LVENRCABIGWGTE-LJQANCHMSA-N 316.445 2.790 0 50 DFAA CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(F)ccc1C)CC2 180193601 FGAXHXUIWLSKIJ-DLBZAZTESA-N 307.409 2.886 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1CCCNC1 621621032 PKETWWVBEVOZBR-LLVKDONJSA-N 305.809 2.859 0 50 DFAA CO[C@H](Cc1ccccc1)C(=O)N1CCc2c(F)cccc2C1 296191661 BNXXHPFFPJYSNL-GOSISDBHSA-N 313.372 2.968 0 50 DFAA Cc1ccccc1CS(=O)(=O)NCC1(c2ccccn2)CC1 184908050 RZLKMLUQARGZBA-UHFFFAOYSA-N 316.426 2.541 0 50 DFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1nc[nH]c1C)CC2 299786408 LLYQBFFJHZTMFV-BPQIPLTHSA-N 319.449 2.657 0 50 DFAA COc1cc(F)c(CN2CC[C@H](O)CC(C)(C)C2)cc1OC 580573339 XKUJGDSUYBTQRV-ZDUSSCGKSA-N 311.397 2.826 0 50 DFAA COC(=O)c1nc(Cl)cc(N(C)[C@@H](C)c2ccccn2)n1 408523922 OLAZJQPRUKFSAT-VIFPVBQESA-N 306.753 2.509 0 50 DFAA C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccc2c[nH]nc2c1 408515360 MMRQTJGQRKIBNJ-CYBMUJFWSA-N 321.380 2.915 0 50 DFAA CO[C@](C)(C(=O)Nc1cccc(CCO)c1)c1ccccc1F 408520410 CIZNSZJHEDLYKK-SFHVURJKSA-N 317.360 2.861 0 50 DFAA Cc1cc2ncc(C(=O)N3CC[C@@H](C)C4(CCC4)C3)c(C)n2n1 271434210 WTBWUPGSTSYMMC-GFCCVEGCSA-N 312.417 2.998 0 50 DFAA CCOCC[C@@H](O)Cn1nnc2cc(Cl)c(Cl)cc21 277566647 SIOLDHOYWNNTBN-MRVPVSSYSA-N 304.177 2.526 0 50 DFAA CCO[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)C1(CC)CC 170652937 DDFNXGKGYRZUBI-NEPJUHHUSA-N 313.829 2.829 0 50 DFAA Cc1cccc(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)n1 170626593 QUQOPEIYXVNDLT-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA CN(Cc1nnc[nH]1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 170644443 QGJVAPXZSGEUTP-VXGBXAGGSA-N 324.306 2.586 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)Nc1ccnn1-c1cccc(F)c1 191953056 BWEULARXJYBVSA-RISCZKNCSA-N 303.337 2.765 0 50 DFAA Cc1noc2cc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)ccc12 585126495 AJKZXMXYJAOTDG-YPMHNXCESA-N 304.346 2.659 0 50 DFAA COc1ccc2nc(CN3CC[C@@H](Oc4ccccc4)C3)[nH]c2n1 662065347 OVHRWAZIEZQDSN-CQSZACIVSA-N 324.384 2.620 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N(Cc1ccccn1)Cc1ccco1 1506422858 SAWLQYPMTXSXCQ-UHFFFAOYSA-N 324.384 2.786 0 50 DFAA Oc1c(F)cc(Br)cc1I 139823297 FFSVCCAYONPYON-UHFFFAOYSA-N 316.895 2.898 0 50 DFAA in-vitro Cc1n(C)c2ccccc2[n+]1C[C@H](O)COC[C@H]1CC=CCC1 13425413 PHTUCFUYQVBSBK-IRXDYDNUSA-N 315.437 2.508 0 50 DFAA C[C@@]1(CCC(=O)N[C@@H]2CCCc3ccccc32)CCC(=O)N1 14989556 QYHFXIHHKJMBRQ-CRAIPNDOSA-N 300.402 2.629 0 50 DFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2 236968433 JLCQKSBINRXWGY-SJORKVTESA-N 316.445 2.955 0 50 DFAA O=C(O)[C@H]1CCCN1Cc1csc(Cc2ccccc2)n1 238101964 DWNYQVORVRQUPN-CQSZACIVSA-N 302.399 2.783 0 50 DFAA Cc1cc2sc(NC(=O)NCc3ccnn3C)nc2cc1F 390835350 LOECZMXKSKHYBG-UHFFFAOYSA-N 319.365 2.799 0 50 DFAA Cc1cnc(COc2ccc([C@@](C)(O)[C@H]3CCCN3C)cc2)o1 818025036 XWLARUMCIYGLQB-SJLPKXTDSA-N 316.401 2.864 0 50 DFAA Cc1ccc([C@H](C)NCc2ccncc2O[C@H]2CCNC2)cc1 864374082 XKZYUZYGIJJIGC-YJBOKZPZSA-N 311.429 2.982 0 50 DFAA CC(C)NC(=O)CN(C)Cc1cc(Cl)nc(C(F)(F)F)c1 952991652 CQCARWYUIGUEBY-UHFFFAOYSA-N 323.746 2.710 0 50 DFAA Cc1cc2cc(NC(=O)[C@@H]3CCC(C)(C)CN3)ccc2[nH]c1=O 1875315266 NGNHIXJFNRGJFD-HNNXBMFYSA-N 313.401 2.553 0 50 DFAA COCCn1nc(C)c(CNC(=O)[C@H]2CC[C@H](C)CC2)c1C 1775986579 GFFUWNRLTLUHSB-NNUKFRKNSA-N 307.438 2.589 0 50 DFAA CC(C)(C)OC(=O)N1CCn2c(CC3CCCC3)nnc2C1 1775987993 QXXHNHKPUIPCCR-UHFFFAOYSA-N 306.410 2.762 0 50 DFAA O=C(O)CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CC1 237941080 RNBDCONFPRUXTP-JKSUJKDBSA-N 301.386 2.926 0 50 DFAA CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 126811 NSPDCAYJQJNRGO-HNNXBMFYSA-N 302.374 2.829 0 50 DFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 186540 KREXJITYFSDYJS-OAHLLOKOSA-N 317.772 2.854 0 50 DFAA COc1cc(OC)c([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc1OC 3127824 SDRFMWNQZYYVQM-JEBQAFNWSA-N 321.417 2.668 0 50 DFAA C[C@@H]1CCCCN1[C@H](C)CNC(=S)NCCc1ccccc1 245224717 CHKMZPFQMBKFDN-HZPDHXFCSA-N 319.518 2.956 0 50 DFAA CC(C)CCc1ccc(NC(=O)N2CCC[C@@H](C(=O)O)C2)nc1 417789552 JLLGDTKQPVOXTQ-CQSZACIVSA-N 319.405 2.999 0 50 DFAA CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1 57291834 MDJUAXBQRFSYEH-GFCCVEGCSA-N 310.353 2.646 0 50 DFAA 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VRPAPBSWGUMHTA-DOMZBBRYSA-N 314.389 2.612 0 50 DFAA Cc1cc(=N)[nH]c(SCc2nnc(-c3ccc(F)cc3)o2)n1 388858304 OXTLFASVKPYKBF-UHFFFAOYSA-N 317.349 2.679 0 50 DFAA O=C(Cc1cccc(C(F)(F)F)n1)Nc1n[nH]cc1C1CC1 823474709 LJQLDSDTAXHWQQ-UHFFFAOYSA-N 310.279 2.882 0 50 DFAA COC(=O)C(C)(C)[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccccc1 952882842 KVPTXSDREXVIHS-CWRNSKLLSA-N 305.418 2.942 0 50 DFAA CNC[C@@H]1C[C@H](F)CN1C(=O)CC(C)(C)c1ccc(F)cc1 876842560 KHWWAOVVGHCYJP-GJZGRUSLSA-N 310.388 2.652 0 50 DFAA COc1ccc2c(OC[C@@H]3CC4(CCOCC4)O3)ccnc2c1 1875319516 GJVWLAAHXWLYRF-AWEZNQCLSA-N 315.369 2.960 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](NCC2CCOCC2)C12CCC2 858227624 QGACKINXOCQTOY-OAHLLOKOSA-N 324.465 2.935 0 50 DFAA Cc1c(NC(=O)Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 94645 CMGPRXRVVWEOKD-UHFFFAOYSA-N 321.380 2.666 0 50 DFAA CC(C)(N)Cc1cn(Cc2cnc(-c3ccccc3)s2)nn1 2325772651 KJALLFZGPCRENU-UHFFFAOYSA-N 313.430 2.730 0 50 DFAA COC(=O)[C@H](C)[C@@H](C)NC(=O)C1(c2cc(C)cc(C)c2)CC1 2325792829 OYEDJORFXVVXPV-ZIAGYGMSSA-N 303.402 2.649 0 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O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N[C@@H]1C[C@H]2CC[C@H]1O2 225312477 YOLZBGMKXFJFJD-PKMBHRFZSA-N 312.413 2.510 0 50 DFAA CN(C)c1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 9420957 OZZRYBFEGYGKHF-UHFFFAOYSA-N 322.397 2.981 0 50 DFAA CCOC(=O)N1CCC(NCCc2nc(C)c(C)s2)CC1 65397807 USCXKGBRJROBCW-UHFFFAOYSA-N 311.451 2.513 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccc(F)c(F)c1 248132841 NTBUIKYQVCAWPU-DLBZAZTESA-N 322.399 2.983 0 50 DFAA Cn1cc(C2=CCN(Cc3ccc(-n4cccn4)cc3)CC2)cn1 65382681 OKLMGKYMTFIHAU-UHFFFAOYSA-N 319.412 2.895 0 50 DFAA CCOC(=O)N1CCC(N[C@H](Cn2ccnc2)C(C)(C)C)CC1 65376034 LNKCMEQKRGDGGM-OAHLLOKOSA-N 322.453 2.508 0 50 DFAA Cc1c(Cl)ccc(OCCOCCNCCN(C)C)c1C 20418864 KIMYFFDZJCHVHX-UHFFFAOYSA-N 314.857 2.503 0 50 DFAA CC(C)(C)OC(=O)NC1CCN(C(=O)N2CCCCC2)CC1 67801112 QHTZMHUKWCUEJU-UHFFFAOYSA-N 311.426 2.581 0 50 DFAA c1ccc(N2CCc3nc(NCCc4ncc[nH]4)ncc32)cc1 65454615 KYVMGMBGWFQEEW-UHFFFAOYSA-N 306.373 2.549 0 50 DFAA CNC(=O)COc1ccccc1-n1cnc(-c2ccccc2)c1 65395755 XTUVHFLGOFZRCE-UHFFFAOYSA-N 307.353 2.664 0 50 DFAA Cc1ccc(F)cc1CC(=O)N[C@@H](c1nccn1C)C(C)C 67541313 QKCXNLQBILWVIM-MRXNPFEDSA-N 303.381 2.924 0 50 DFAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@@H]2C=CCN2)c1 63871546 GPPYQZKUOUJQFY-INIZCTEOSA-N 321.380 2.714 0 50 DFAA O=C(C[C@@H]1CCCCO1)N1CCC[C@]1(CO)Cc1ccccc1 252491688 LQVANOOATZDIIG-PKOBYXMFSA-N 317.429 2.542 0 50 DFAA Cc1cc(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)c(C)[nH]1 121620792 IUSOHOIPBUIVEI-GOSISDBHSA-N 314.385 2.593 0 50 DFAA Cc1ccccc1-c1nc(CN2CCN(CC3CC3)CC2)no1 123226480 NPRGHGKUDPSRKV-UHFFFAOYSA-N 312.417 2.573 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 331685430 XAWCWJVIKLOXOY-KFWWJZLASA-N 307.390 2.582 0 50 DFAA CCOc1ccccc1CNC(=O)N1CCCOC(C)(C)C1 363361645 VUKRVQBZDJQXCF-UHFFFAOYSA-N 306.406 2.796 0 50 DFAA Cc1csc(SCC(=O)NCc2cnc3ccccn23)n1 219911235 LGKBIVROEAUOAT-UHFFFAOYSA-N 318.427 2.508 0 50 DFAA CCn1ccnc1[C@@H](C)NC(=O)c1cccc(Cn2ccnc2)c1 456339315 BZRYWQOVOOHPJE-CQSZACIVSA-N 323.400 2.639 0 50 DFAA c1ccc([C@@H]2CN(c3nccn4cnnc34)[C@H]3CCC[C@H]32)cc1 376175615 YBNKLFWIVVRPHG-JYJNAYRXSA-N 305.385 2.897 0 50 DFAA CC(C)[C@H]1CN(CCOc2cccc(C(=O)O)c2)CCCO1 378874025 VTLXGDFKLGSDEV-MRXNPFEDSA-N 307.390 2.511 0 50 DFAA CC(=O)c1cn(CCC(=O)NCc2ccncc2)c2ccccc12 40286707 PLMKOKHIPHYEFV-UHFFFAOYSA-N 321.380 2.945 0 50 DFAA CCN(C(=O)N[C@@H]1CCN(c2ccccc2OC)C1)C(C)C 132757621 SGCDLNJUZBMOHA-CQSZACIVSA-N 305.422 2.714 0 50 DFAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2CCN(C)C2=O)cc1 222822265 HCGSTZUFPJTBOR-GOSISDBHSA-N 322.408 2.546 0 50 DFAA COCCc1nsc(NC[C@@H](OC)c2ccc(F)cc2)n1 176944107 NIXZXQUHVMGBMC-GFCCVEGCSA-N 311.382 2.666 0 50 DFAA O=C(CCc1cccc(F)c1)N1CCN(c2cccnc2)CC1 82160529 NEYWDVUPTQFCRP-UHFFFAOYSA-N 313.376 2.502 0 50 DFAA CN(Cc1cnn(C)c1)Cc1cccc(Br)c1F 294535487 HWZNJVVWAQUZGO-UHFFFAOYSA-N 312.186 2.954 0 50 DFAA CCC[C@@H](C)c1cn(CCc2nc3ccccc3c(=O)[nH]2)nn1 92046876 KXCCILLOZSOLEW-GFCCVEGCSA-N 311.389 2.661 0 50 DFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(OCC(N)=O)c1 245316678 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CC[C@H](NC(=O)N1CC(OCC(F)F)C1)c1ccccc1F 637244985 IQHTUZVMXBVUJZ-ZDUSSCGKSA-N 316.323 2.952 0 50 DFAA Cc1ccc(-c2nc(CN3CCCNC(=O)[C@H]3C)cs2)cc1 189105268 ZJPKWUIPUAAVMP-CYBMUJFWSA-N 315.442 2.829 0 50 DFAA C[C@H](NCCCc1cnn(C)c1)[C@@H](c1ccccc1)N(C)C 585117126 RNMOQCSYWCCVCO-YJBOKZPZSA-N 300.450 2.634 0 50 DFAA Cc1ccc2c(c1)OCCN2C(=O)C[C@@H](C)N1CCCCC1=O 193349813 WMJUKIRGIZUUFS-CQSZACIVSA-N 316.401 2.512 0 50 DFAA C[C@H](NCC(C)(C)c1cccc(F)c1)C1(S(C)(=O)=O)CC1 1615587236 CNUMBSKMGZVVDK-LBPRGKRZSA-N 313.438 2.659 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)NCc2[nH]nc3ncccc23)cc1C 1772810661 NRNUQIYFPKAQQB-CYBMUJFWSA-N 324.384 2.658 0 50 DFAA OC[C@@H](O)C1CCN(Cc2ccccc2-c2ccccc2)CC1 1772708639 DIOGILLAUAYJBK-HXUWFJFHSA-N 311.425 2.919 0 50 DFAA C[C@H](CN1CCCC1)Nc1nnc(CSc2ccncc2)o1 1772710527 BGTHGUQEGHOQSN-GFCCVEGCSA-N 319.434 2.653 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)cc1 5029773 IYIYUPVWWMYXCR-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA COc1cccc(CN2CCN(Cc3ccccc3)CCC2=O)c1 11966428 MCLSUFRCKCOPOC-UHFFFAOYSA-N 324.424 2.930 0 50 DFAA Cc1cccc(NC(=S)N2CCN(c3ccccn3)CC2)c1 18142170 JPGFOPYWBGFBLX-UHFFFAOYSA-N 312.442 2.909 0 50 DFAA COc1cccc(CN2CCN(C(=O)c3cccs3)CC2)c1 19565319 LVELAVPEPHEFJR-UHFFFAOYSA-N 316.426 2.715 0 50 DFAA Cc1ccc([C@H](NC(=O)c2cc(C)[nH]n2)c2ccncc2)cc1 19939512 XJORMRJDYBHJPK-KRWDZBQOSA-N 306.369 2.941 0 50 DFAA COC[C@H](O)Cn1ccnc1-c1nc(-c2ccccc2)cs1 1857702347 JVJRWWCVDKXKJX-CYBMUJFWSA-N 315.398 2.681 0 50 DFAA Cc1ccc2nc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2c1 338476409 PDRXPFBBDJSCSO-UHFFFAOYSA-N 305.337 2.894 0 50 DFAA CS[C@H](C(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 363595215 MLKWFAMEICZUKU-AWEZNQCLSA-N 316.430 2.615 0 50 DFAA CCC[C@@H](C(=O)N1CCC(c2ccccc2CO)CC1)N(C)C 372620818 PBPZRMAZPCKESM-SFHVURJKSA-N 318.461 2.615 0 50 DFAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2ccccn2)C1 798482017 ZJEFHKQDCLDPGW-CYBMUJFWSA-N 320.389 2.707 0 50 DFAA C[C@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1c(F)cccc1F 264330626 WKSDGJOJAYDMLD-STQMWFEESA-N 323.387 2.906 0 50 DFAA COc1ccccc1-c1cn(CCc2scnc2C)nn1 900568158 JNMJAFJAPOKWEL-UHFFFAOYSA-N 300.387 2.961 0 50 DFAA CSCC[C@H](C)NS(=O)(=O)c1cccc2ccncc12 914132593 RSNLJBLZMFWGAP-NSHDSACASA-N 310.444 2.655 0 50 DFAA O=C(CN1CCSC[C@H]1C1CC1)Nc1ccc(Cl)nc1 852137269 MHCWNHIAASRPBF-LBPRGKRZSA-N 311.838 2.501 0 50 DFAA CC(C)(C)OC(=O)[C@H](c1nc(Cc2cccnc2)no1)C1CC1 952964862 XPFOOYLCCVFKIT-AWEZNQCLSA-N 315.373 2.891 0 50 DFAA C[C@@H](C(=O)N1CC2(CCCC2)C[C@H]1C)n1cc(C2CC2)nn1 1875323486 JTSCJELEQGNPJV-OLZOCXBDSA-N 302.422 2.898 0 50 DFAA Cc1cc(C[S@](=O)c2ccc(O)cc2)nc(C(F)(F)F)n1 1875322876 LIFJPEOEDHQXSF-NRFANRHFSA-N 316.304 2.817 0 50 DFAA CC(C)(C)OC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 1709612 VLWCTEHZKXFOHR-CYBMUJFWSA-N 319.357 2.656 0 50 DFAA Clc1ccc2[nH]c(CN3CC[C@H](c4cnn[nH]4)C3)cc2c1 2325788427 FXFARHSSLAYDNI-JTQLQIEISA-N 301.781 2.929 0 50 DFAA N[C@@H]1Cc2ccc(C(=O)NCC[C@@H]3CCc4ccccc43)cc2C1 2325796015 MAXJXGGQVIFZPX-HNAYVOBHSA-N 320.436 2.962 0 50 DFAA C[C@H](NC(=O)[C@H](C)Cn1ccnc1)c1ccc2ccn(C)c2c1 2325796998 PONSPSASUWGOEX-KGLIPLIRSA-N 310.401 2.888 0 50 DFAA N[C@@H]1CCN(c2ccnc(-c3cccc(-c4ccncc4)c3)n2)C1 2325856474 QUOJUOOXAORKJR-QGZVFWFLSA-N 317.396 2.743 0 50 DFAA CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 31693 IAQBGUXRXJBWLQ-UHFFFAOYSA-N 313.309 2.844 0 50 DFAA O=C(O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 331465 HTGYRHUXRYMVAM-HZGVNTEJSA-N 301.224 2.835 0 50 DFAA Cc1cc(-c2cccs2)c2c(n1)sc1c(=O)[nH]c(=O)[nH]c12 377736 PGRAQLFZSOLKJK-UHFFFAOYSA-N 315.379 2.863 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 528351 BWPYRPPGDYMUPW-UHFFFAOYSA-N 324.446 2.988 0 50 DFAA S=C(Nc1ccc(Cl)c(Cl)c1)NN1CCOCC1 609837 SFRXXKCDEXUILG-UHFFFAOYSA-N 306.218 2.527 0 50 DFAA O=C([C@@H]1CC(c2cccc(Br)c2)=NO1)N1CCCC1 614588 YYTQPSQGAGWVCO-ZDUSSCGKSA-N 323.190 2.565 0 50 DFAA CCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12 780109 KNWZHZRCAOCXMF-UHFFFAOYSA-N 323.776 2.866 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](C(=O)O)C1 136133547 MKKBWTGXMCNQFH-CHWSQXEVSA-N 305.374 2.512 0 50 DFAA COCCCNCCOCCOc1ccc(C)cc1Cl 2981123 RRWRNZXPJNOXHJ-UHFFFAOYSA-N 301.814 2.670 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 4700929 ASFOMIVQNVWJJQ-ZDUSSCGKSA-N 304.434 2.879 0 50 DFAA aggregator COC(=O)c1cccc(NS(=O)(=O)Cc2cccc(C)c2)c1 10112241 UPCUTZCRNIBZLF-UHFFFAOYSA-N 319.382 2.724 0 50 DFAA O=[S@](Cc1ccccc1)C[C@H](O)COCc1ccccc1 8556911 SAMOSLRICVPKOU-UTKZUKDTSA-N 304.411 2.513 0 50 DFAA CNCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(C)c2)c1 55325444 KHBAYUQUDKLJTM-UHFFFAOYSA-N 311.385 2.714 0 50 DFAA Cc1cc(OCCOCCN2CCOCC2)cc(C(C)C)c1 20118296 XEOOZUQZKYZRPT-UHFFFAOYSA-N 307.434 2.846 0 50 DFAA Cc1cccc(NC(=O)[C@H](C)NC(=O)c2cccc(F)c2)c1 20292874 NVDAMIQVXGHFLF-LBPRGKRZSA-N 300.333 2.891 0 50 DFAA CCn1cncc1CNC(=O)C1(N2CCCCC2)CCCCC1 65451746 XMBGKLDQRVWPRN-UHFFFAOYSA-N 318.465 2.708 0 50 DFAA Cn1cc(C(C)(C)C(=O)N2CCC[C@H](CC(F)(F)F)C2)cn1 421974889 WTHOIARGQDDXHX-LLVKDONJSA-N 317.355 2.889 0 50 DFAA CC(C)CC1(C(=O)NCc2nnc(S)n2C2CC2)CCC1 119227164 XCBDCJHMXPNOLT-UHFFFAOYSA-N 308.451 2.734 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@H](O)[C@@]2(C)CC[C@H](O)[C@H]12 36370889 IGDPHSMKMOOQGM-SDWCJULCSA-N 308.462 2.722 0 50 DFAA COc1ccc(/C=C(\C)CN2CCC[C@H](CNC(C)=O)C2)cc1 254305315 GHITVWGILXOKTR-HAZIXKIPSA-N 316.445 2.947 0 50 DFAA O=C(CCN1C[C@H]2CC=CC[C@H]2C1)NCc1ccc(F)cc1 72162549 LRTDYRXMISMAGT-IYBDPMFKSA-N 302.393 2.730 0 50 DFAA C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(CO)c2)C1 368283232 WVAYHHJBAHPYBO-AWEZNQCLSA-N 310.397 2.912 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 125352627 WBBFBNXGJYFLTB-WXHSDQCUSA-N 312.335 2.629 0 50 DFAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 368836266 VRABVUMQVQEJOV-GFCCVEGCSA-N 323.780 2.704 0 50 DFAA c1cc(CN2CCCN(c3ccc4cc[nH]c4n3)CC2)ccn1 72130780 HTFYAPNUJFSRLC-UHFFFAOYSA-N 307.401 2.670 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)cs1 72147233 AGRFJERSYGVVTD-INIZCTEOSA-N 322.430 2.928 0 50 DFAA CC(C)CCO[C@@H]1CCN(C(=O)c2cccc(C(=O)O)c2)C1 236756183 ZFNRBXMCOPUYHV-OAHLLOKOSA-N 305.374 2.662 0 50 DFAA O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)n2cccc21 333260167 AWSXUSJYKRMVEJ-RGIVZKHGSA-N 320.392 2.850 0 50 DFAA Cc1sc2[nH]c(=S)n(Cc3cnn(C)c3)c(=O)c2c1C 17031372 MWILXBVHGOZDRP-UHFFFAOYSA-N 306.416 2.519 0 50 DFAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)=O)cc2)C1 178043975 OYSSFDNPCAEJTQ-DMPWYTOCSA-N 321.442 2.699 0 50 DFAA Cc1ncn(CC(=O)N(C)Cc2ccnc3ccccc23)c1C 223628808 WZDIYHVXFDEYNE-UHFFFAOYSA-N 308.385 2.707 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1 263460794 VQCWNOMVEUFRSP-GFCCVEGCSA-N 302.374 2.676 0 50 DFAA C[C@@H](O)c1cc2n(n1)CCCN(Cc1ccc3ccccc3n1)C2 221414448 WDLUBQRYKRPROX-CQSZACIVSA-N 322.412 2.891 0 50 DFAA COc1ccc(-c2cn(CCCn3ccnc3)nn2)c(C)c1C 82166370 HAVUQVHSELWBHD-UHFFFAOYSA-N 311.389 2.857 0 50 DFAA CCOc1cc(CN2CCn3cncc3C2)ccc1OC(F)F 291573890 ODRHDEWEDUIGIT-UHFFFAOYSA-N 323.343 2.899 0 50 DFAA Cc1cc(C)n(CCCN(C)[C@@H](C(=O)O)c2ccsc2)n1 95358007 MTCTXEQQKVNZIQ-CQSZACIVSA-N 307.419 2.709 0 50 DFAA COC[C@@]1(C)CCN(C(=O)c2nc(C(C)C)ncc2Cl)C1 294176709 JUSFEWFEYSKZON-HNNXBMFYSA-N 311.813 2.752 0 50 DFAA CN1CCC(c2ccccc2)(c2nc([C@H]3CCOC3)no2)CC1 96151337 OAFGATMBQXOECR-AWEZNQCLSA-N 313.401 2.585 0 50 DFAA Cn1ccc2ccc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cc21 95390610 YJKFKUHRSKGWRA-ZWKOTPCHSA-N 306.365 2.566 0 50 DFAA O=C(O)[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C1CC1 91914840 KRNFJDHZRIMGHH-WDEREUQCSA-N 300.280 2.647 0 50 DFAA CN(CC(=O)N1CC[C@H]1c1ccc(F)cc1)Cc1cccnc1 244678837 ILDHYVHSMSQRQF-KRWDZBQOSA-N 313.376 2.626 0 50 DFAA CCCc1nc(C)c(CNC(=O)CCc2csc(N)n2)s1 534656603 RSZYLNMYFISTTE-UHFFFAOYSA-N 324.475 2.692 0 50 DFAA CN(Cc1ccc(OC[C@@H]2CCCNC2)cc1)Cc1ccon1 299779283 QLAANEADKAOKSL-MRXNPFEDSA-N 315.417 2.685 0 50 DFAA Cc1cc(Cl)cc2c(=O)n(C[C@@]3(C)CCN(C)C3)cnc12 584887238 PBMKQGYSNOWJQP-INIZCTEOSA-N 305.809 2.700 0 50 DFAA Cc1nc(-c2cccc(NC(=O)c3onc4c3CCCC4)c2)n[nH]1 666845528 QACUEURHAMLAET-UHFFFAOYSA-N 323.356 2.899 0 50 DFAA CCc1cc2c(C)cc(=O)oc2c(COC(C)=O)c1OC(C)=O 823505762 LUKKFQLTQDMRSY-UHFFFAOYSA-N 318.325 2.652 0 50 DFAA CCO[C@H](CC)CNC(=O)N1CC(Oc2cccc(C)c2)C1 584902724 BSDIRHISLFECRD-CQSZACIVSA-N 306.406 2.583 0 50 DFAA CCN1CCCC[C@H]1CNc1ccc(C(=O)N2CCCC2)cn1 670455289 PGLPZMIFBNWGLJ-INIZCTEOSA-N 316.449 2.604 0 50 DFAA CCCn1cnnc1CNc1nnc(-c2ccccc2)s1 952861864 LJLGIIQAHCIXMM-UHFFFAOYSA-N 300.391 2.819 0 50 DFAA CC(=O)c1ccccc1C(=O)N1C[C@H](C(C)C)[C@@H](N(C)C)C1 1565514548 MYWBBOKWOBALNJ-SJORKVTESA-N 302.418 2.547 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)N2CCC[C@@H](C(=O)O)C2)s1 165499827 FVIVRNKEYDHXRA-LLVKDONJSA-N 310.419 2.587 0 50 DFAA COCCn1cc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cn1 630574234 DWCYMPLUHUSZNF-UHFFFAOYSA-N 314.263 2.914 0 50 DFAA CC[C@H](NCc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCCO1 170091608 UOSOITNSXJTUMH-JSGCOSHPSA-N 306.431 2.647 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)o1 639665587 ZPGSXUBJBKQRNH-BLLLJJGKSA-N 300.358 2.514 0 50 DFAA Cc1nc(N(C)C[C@H](O)c2cccnc2)c2c(C)csc2n1 895937618 VCJKPSLIBUAPAS-ZDUSSCGKSA-N 314.414 2.873 0 50 DFAA O=C(NCCc1ccco1)[C@@H]1CSC(c2ccccc2)=N1 585122219 RMGVVSAIOQRHIC-AWEZNQCLSA-N 300.383 2.501 0 50 DFAA C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1cnn2ccccc12 661168641 PEIZWIOTOPMION-SUMWQHHRSA-N 320.396 2.862 0 50 DFAA CC(C)c1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)c1 663121923 UTKSELQNNXUMHJ-INIZCTEOSA-N 312.369 2.631 0 50 DFAA C/C(=C\C(=O)N1CCC[C@H]1Cn1ccnn1)c1cccc(F)c1 794161290 KZAYFLHRFLIMOG-ISBHARSQSA-N 314.364 2.512 0 50 DFAA CCc1ccccc1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1616076967 PQXFMOXTWMHCHQ-WMZOPIPTSA-N 310.397 2.632 0 50 DFAA Cc1ccc(OCCN(C)CCn2cnnc2C)c(Cl)c1 1506402590 ZAGPCPQJFRCKDC-UHFFFAOYSA-N 308.813 2.559 0 50 DFAA CN(C)Cc1ccc([C@@H]2CCCN2c2nc(C(=O)O)co2)cc1 1529173706 OOKDMNNURJSAOY-HNNXBMFYSA-N 315.373 2.776 0 50 DFAA COC(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 466614 ROZAKRLFXZTOEP-QPJJXVBHSA-N 307.777 2.765 0 50 DFAA OCCn1nc(Cc2cccnc2)nc1[C@H]1C[C@@H]1c1ccccc1 1616110750 ANCQAYJEIYVMFA-SJORKVTESA-N 320.396 2.527 0 50 DFAA COc1cc(F)ccc1CN1CCC2(CC1)C[C@@](C)(O)CCO2 1704311636 OJRKVOUMOJZYBQ-KRWDZBQOSA-N 323.408 2.730 0 50 DFAA Brc1cnc2[nH]cc(I)c2c1 4352700 GIPGJYARDOQGDJ-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro CCc1ncnc(N2CCC(c3ccnc(O)c3)CC2)c1F 1772817306 BVZRJFSWJLTVFU-UHFFFAOYSA-N 302.353 2.663 0 50 DFAA Cc1nc[nH]c1-c1nccn1-c1ccc2c(c1)nc([C@@H](C)O)n2C 1772816285 KEVNPJMWGKGCFX-LLVKDONJSA-N 322.372 2.511 0 50 DFAA COc1cnc(C)cc1C(=O)NCc1ccc2c(c1)nc(C)n2C 1857666631 UQNWDGXZLOCLHF-UHFFFAOYSA-N 324.384 2.524 0 50 DFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NC[C@@H]1CC1(F)F 1857695565 OWDJORFSDRNBNA-JTQLQIEISA-N 309.291 2.909 0 50 DFAA COc1cc(OC)cc(-c2nccn2[C@@H]2CCN[C@@H](C)C2)c1 1857697255 MGTQRZZYQRKHFF-GXTWGEPZSA-N 301.390 2.880 0 50 DFAA CC(C)=CCN1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857714177 MBPPPFMRXQCVPC-SCTDSRPQSA-N 312.413 2.727 0 50 DFAA CC(C)Cn1cc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)cn1 126802688 ICUHIEXMACPKBK-UHFFFAOYSA-N 324.388 2.587 0 50 DFAA COC1CCC(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)CC1 333618591 PEDJGGQZBVSAHJ-SSDMNJCBSA-N 306.410 2.604 0 50 DFAA Cc1c(O)cc2c(c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2 13327567 BFVOQLBTLZMHPR-LLVKDONJSA-N 300.310 2.546 0 50 DFAA biogenic,in-vitro COc1cc2c(c3c1OCO3)C(c1ccccc1O)=N[C@H](C)C2 257540575 VLWOJCTZUOKEOM-SNVBAGLBSA-N 311.337 2.912 0 50 DFAA COc1ccc2oc(C)c(C(=O)N3CCCC[C@H]3C(=O)O)c2c1 158496770 FUILDRQIQJXKTQ-ZDUSSCGKSA-N 317.341 2.829 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N(C)Cc1ccc(C(=O)O)cc1 262784062 OQAZKGZRLMCZCO-UHFFFAOYSA-N 314.341 2.831 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1nnc2ccc(Cl)cn12 585127729 HYUUSFFRVPAVLK-SRVKXCTJSA-N 318.808 2.825 0 50 DFAA O=C(NCC1(O)CCCCCC1)c1cc2ccccc2oc1=O 265513995 SKEJICSVKOTROR-UHFFFAOYSA-N 315.369 2.608 0 50 DFAA C[C@H](C(=O)NCC1(O)CCC(F)(F)CC1)c1cccc(O)c1 826018603 GOIPGQADWAZBRP-NSHDSACASA-N 313.344 2.552 0 50 DFAA CC(C)c1cc(C(=O)NCc2cccc3c2OCC3)cc(O)n1 857812881 ICELWPKLEJPHCT-UHFFFAOYSA-N 312.369 2.776 0 50 DFAA C[C@@H](NC(=O)Cc1cnn2ccccc12)c1ccc2c(c1)CCO2 887329011 VACCHXYKGIORAO-CYBMUJFWSA-N 321.380 2.689 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nc(C)c(C)o2)C1 888102842 QFFXGTSVKYUQHQ-KGLIPLIRSA-N 304.394 2.593 0 50 DFAA CCc1cc(N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)ccn1 888103023 ZXENPQXWTPGSEV-CVEARBPZSA-N 300.406 2.950 0 50 DFAA Cc1noc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C(C)C)NC1=O 2325766536 BJDMLTOYFNKQHO-RYUDHWBXSA-N 307.394 2.596 0 50 DFAA Cc1c(F)cccc1C1(C(=O)N[C@H]2CCN3CCC[C@H]3C2)CC1 2325779589 QVAZGODADSXAJZ-GJZGRUSLSA-N 316.420 2.909 0 50 DFAA COc1nc2ccccc2cc1CN[C@H]1CCc2n[nH]c(C)c2C1 2325788583 PUISRPWLZOMQCA-HNNXBMFYSA-N 322.412 2.922 0 50 DFAA C[C@H](NC(=O)c1conc1CN)c1ccc(-c2ccncc2)cc1 2325858472 OMOBXBZKZOWWRC-LBPRGKRZSA-N 322.368 2.686 0 50 DFAA Cc1cccc2nc(NC(=O)c3cnc([C@H](C)O)s3)[nH]c12 2325870828 QXUJNONSOVXAGW-QMMMGPOBSA-N 302.359 2.633 0 50 DFAA COc1cccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c1 240329 TWWIVCBPXLHKHS-GDBMZVCRSA-N 301.386 2.786 0 50 DFAA O=C([C@H]1CC(c2cccc(Br)c2)=NO1)N1CCCC1 614587 YYTQPSQGAGWVCO-CYBMUJFWSA-N 323.190 2.565 0 50 DFAA Cc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1 10111247 LKTDKTSXAHLFIG-UHFFFAOYSA-N 310.463 2.539 0 50 DFAA CNC(=O)C[C@H](C)N(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 55386535 KRKWSNYRQANBTL-UOLNLGHYSA-N 320.477 2.966 0 50 DFAA c1ccc(-c2ncc(CN3CCC4(CCNCC4)C3)cn2)cc1 67742547 CTMYFBYUGMURKE-UHFFFAOYSA-N 308.429 2.719 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@@H](C)NC(=O)c1cccs1 20400166 LMXFHPZDMLYVBB-LLVKDONJSA-N 318.398 2.822 0 50 DFAA CCOP(=O)(OCC)[C@H](F)S(=O)(=O)c1ccccc1 36470238 HUOWVYVTKZRXGM-NSHDSACASA-N 310.283 2.980 0 50 DFAA Cc1[nH]c2ccccc2c1CCN1C(=O)OC(C)(C)[C@@]1(C)O 140318 SSBKMAUQXWUARS-QGZVFWFLSA-N 302.374 2.958 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]1N(C)C 252506496 TZHXCKALVMCYNN-IACUBPJLSA-N 310.825 2.706 0 50 DFAA CCCNC(=O)c1nn(CC)cc1NC(=O)c1cccc(C)c1 2800134 OFKNVCQFYOBTOX-UHFFFAOYSA-N 314.389 2.604 0 50 DFAA Cc1cc(N)n(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)n1 215613565 LMGXKNHLKWKXBP-MRXNPFEDSA-N 312.417 2.570 0 50 DFAA C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc12)C1CC1 171947405 FPJSIVXEMSKVPK-SSDOTTSWSA-N 308.179 2.854 0 50 DFAA COc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)c(O)c1 436538513 UEUOWJMBINNAGV-UHFFFAOYSA-N 301.317 2.959 0 50 DFAA Cc1cc(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)n[nH]1 125414211 ZURLZONRTIGWOU-LJQANCHMSA-N 320.396 2.694 0 50 DFAA COc1cc2ncn(Cc3ccsc3)c(=O)c2cc1OC 32533018 IYGHKCXHFUXPNH-UHFFFAOYSA-N 302.355 2.524 0 50 DFAA Cc1ccc(C)c(-n2ccnc2-c2cc3n(n2)CCCNC3)c1 72429258 BAUDIZROYIDVJK-UHFFFAOYSA-N 307.401 2.846 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc(F)c(COCC2CC2)c1 237492277 VPYKUCNOCYDVLU-WBMJQRKESA-N 320.408 2.704 0 50 DFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c2c1 237773841 PNMDVDDSDAEVMM-AWEZNQCLSA-N 309.413 2.902 0 50 DFAA Cc1nnc(CN(C[C@@H]2CCCO2)C2CCCC2)n1C1CC1 173838866 FFAQABNFHUFKFC-INIZCTEOSA-N 304.438 2.845 0 50 DFAA COc1ccc(N(C)C(=O)[C@H]2C[C@@]23CCOc2ccccc23)cn1 607485399 ISPHMULIONDRAZ-DNVCBOLYSA-N 324.380 2.793 0 50 DFAA O=C(CC[C@@H]1CCCOC1)NCc1ccccc1-n1cccn1 175460539 ZMGHYODDDDGDQV-HNNXBMFYSA-N 313.401 2.695 0 50 DFAA c1ccc(-c2nc(CCn3ccnc3[C@H]3CCOC3)no2)cc1 82135376 UCGYMUAIFWKJNV-AWEZNQCLSA-N 310.357 2.680 0 50 DFAA Cc1cncnc1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 426496760 BVGWBLKGSAJVBT-UHFFFAOYSA-N 304.781 2.786 0 50 DFAA CCc1nnc(CN2CC[C@@H](Oc3ccccc3Cl)C2)n1C 178972855 JMSBJQGIBSPMMH-GFCCVEGCSA-N 320.824 2.684 0 50 DFAA Cc1nc([C@H]2CCCN(c3ncccc3Cl)C2)cc(=O)[nH]1 96150427 XONCSAOIQISUCC-NSHDSACASA-N 304.781 2.511 0 50 DFAA COc1cc(OC)c(CN(C)Cc2ccc(C)o2)c(C(=O)O)c1 97823009 MWEFLXVGKBBVQY-UHFFFAOYSA-N 319.357 2.935 0 50 DFAA CCN1CCC(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)CC1 95353426 ZFDPXRWIUQMPKI-OAHLLOKOSA-N 320.437 2.554 0 50 DFAA CCc1cc(Cl)ccc1NC(=O)N1CCNC(=O)[C@@H]1C(C)C 426371060 OBTIDAQBPHHCEH-AWEZNQCLSA-N 323.824 2.891 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)[C@@H]1Cc2ccccc2S1 95376909 YMXMRBQHAKJYDN-AWEZNQCLSA-N 316.430 2.534 0 50 DFAA O=c1cc([C@H]2CCCNC2)nc(CSc2ccccc2)[nH]1 23153432 QDKFJSMIMVKGLG-LBPRGKRZSA-N 301.415 2.529 0 50 DFAA CN1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 244874285 WYGYCTLJQPBISB-RTBURBONSA-N 305.510 2.810 0 50 DFAA CN(C)C(=O)c1ccc(CC[C@@H]2COc3ccccc3O2)nc1 244852533 UUBLUCQCTQYJEZ-OAHLLOKOSA-N 312.369 2.556 0 50 DFAA C[C@@H](NS(=O)(=O)N1CCCC1)c1ccc2c(c1)CCCC2 242874445 GIDMVBRYJGAWPL-CYBMUJFWSA-N 308.447 2.557 0 50 DFAA C[C@H](C(=O)O)[C@H](NC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccccc1 299747626 DLQSVJLEXVPKBA-CXUGXGMPSA-N 319.401 2.912 0 50 DFAA Cc1noc(C)c1CC(=O)NCc1nc(C2CCCCC2)no1 299800421 WHEUTEWORMDDTR-UHFFFAOYSA-N 318.377 2.581 0 50 DFAA Cc1nc(C)n(CCNC(=O)Nc2ccccc2C(C)C)n1 299766478 DVMFWGAXUDDHQI-UHFFFAOYSA-N 301.394 2.840 0 50 DFAA CCN1CC[C@@H](NC(=O)N(C)CCSc2ccccc2)C1 584901234 IBCSLFFQWRIKOM-CQSZACIVSA-N 307.463 2.514 0 50 DFAA CCc1nc(C)c(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)o1 584898076 FNFDOEKLBOMMFS-HNNXBMFYSA-N 324.384 2.913 0 50 DFAA Cc1ccc(C)c(-n2ncnc2CC[C@@H](C)N2CCOCC2)c1 670468772 JWPBXLHIAXRCGV-MRXNPFEDSA-N 314.433 2.537 0 50 DFAA O=C(O)c1n[nH]cc1CN1CC[C@H](c2cccc(Cl)c2)C1 670471442 JZOWKAIQZGKODQ-NSHDSACASA-N 305.765 2.751 0 50 DFAA CCN(CCn1cccn1)C(=O)N[C@@H](C)c1ccc(F)cc1 952965522 RKBVIOUKTWDOBZ-ZDUSSCGKSA-N 304.369 2.815 0 50 DFAA CCO[C@H]1COCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 1565515793 VQYRLWVHISGDGK-GJZGRUSLSA-N 323.820 2.682 0 50 DFAA C[C@@H](NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)c1cn[nH]c1 270278214 LYYIUVOOZBSARS-OCCSQVGLSA-N 316.380 2.884 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1-n1cccn1 408474451 XRMYRWIVHLKAGR-WBVHZDCISA-N 313.401 2.694 0 50 DFAA CCCOCc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 274092442 ZWONIRDEVQLPAZ-LBPRGKRZSA-N 301.346 2.517 0 50 DFAA CC(C)n1ncnc1CNCc1cc(Cl)c2c(c1)OCCO2 631037670 JDWVQYYDMBIKLF-UHFFFAOYSA-N 322.796 2.573 0 50 DFAA COc1cccc(OC)c1C(=O)N[C@@H](C)c1csc(C)n1 170524788 HQNVXRYQMBCTQL-VIFPVBQESA-N 306.387 2.960 0 50 DFAA Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc3c[nH]nc3c2)c1 192682978 OOIUCQQBHIOFFC-LBPRGKRZSA-N 322.368 2.628 0 50 DFAA CSC[C@H](CCO)N[C@@H](C)c1ccc(Br)o1 192891360 LDDVQQILGSFGIX-IUCAKERBSA-N 308.241 2.807 0 50 DFAA CCN(C)C[C@@H](C)C(=O)Nc1c(C)c(-c2ccccc2)nn1C 1506412920 FYIHHKASMDWEAE-CYBMUJFWSA-N 314.433 2.922 0 50 DFAA COc1cc(C=Cc2ncc(C(=O)O)s2)cc(OC)c1O 1857532116 UONZZSFNRRXNID-UHFFFAOYSA-N 307.327 2.735 0 50 DFAA CC[C@@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Oc1cccc(F)c1 110672928 CLHXISWRGDYCKP-DRPJVOAASA-N 307.365 2.667 0 50 DFAA Cc1ccc(OCCCN(C)C[C@@H]2CCC(=O)N(C)C2)c(C)c1 1775983322 VTABJGXUSRCJDD-KRWDZBQOSA-N 318.461 2.873 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@H]3C)C2=O)cc1 5730508 YZOPMRBEEJYGBQ-BMFZPTHFSA-N 300.402 2.795 0 50 DFAA CC(C)c1nc2cc(C(=O)NCCc3cnccn3)ccc2o1 12751766 DTIXCFNTIIIULP-UHFFFAOYSA-N 310.357 2.714 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1 17729766 IQKSKRNESHGHKU-MRXNPFEDSA-N 301.729 2.753 0 50 DFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1C1CC1 238123068 QCCASJSNZFJHDN-QWHCGFSZSA-N 323.339 2.814 0 50 DFAA Cc1cc(C(=O)N2CCOC[C@@H](C3CCC3)C2)nn1C(C)(C)C 346104155 POKJVGUUDUYAPB-HNNXBMFYSA-N 319.449 2.835 0 50 DFAA Cc1cc(N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)n2nc(C(F)(F)F)nc2n1 252504984 HEDGOGGRUSNJGC-UXCLJVHYSA-N 323.322 2.686 0 50 DFAA COCC1(C(=O)N2CCO[C@H](c3ccccc3C)C2)CCC1 375030300 JHASVAMTWOLPTA-INIZCTEOSA-N 303.402 2.712 0 50 DFAA CC(C)CC1(C)CCN(C(=O)C[C@@H]2C=CS(=O)(=O)C2)CC1 811532500 WFLGPWCQXLZMNM-AWEZNQCLSA-N 313.463 2.610 0 50 DFAA Cc1nn(C)c(N2CCC2)c1NC(=O)Cc1ccc(Cl)s1 828039637 BYGNBIKMXJABBF-UHFFFAOYSA-N 324.837 2.835 0 50 DFAA Cc1nc2ccc(NC(=O)c3cccc4ncccc34)cn2n1 1128330706 QHPVSVNGIFFCQG-UHFFFAOYSA-N 303.325 2.838 0 50 DFAA CO[C@@H]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C 1875270028 NAJDCNKFUFQFSB-UONOGXRCSA-N 312.454 2.743 0 50 DFAA Cc1cccc2c(CCC(=O)NCC3(CC(=O)O)CC3)c[nH]c12 1875286797 GPLKSROKRHEHRJ-UHFFFAOYSA-N 314.385 2.780 0 50 DFAA CC(C)c1nnc(Sc2ncnn3cccc23)n1C1CC1 1875294233 NWBSYUQGAAOOHG-UHFFFAOYSA-N 300.391 2.930 0 50 DFAA Cc1ncnc(C)c1C(=O)OCc1cncc(C(C)(F)F)c1 1875320644 IZKIWBQAJFQJRR-UHFFFAOYSA-N 307.300 2.957 0 50 DFAA O=c1ccc(-c2ccco2)nn1Cc1ccc2nsnc2c1 1875340231 QZHZOTOUHDDKLY-UHFFFAOYSA-N 310.338 2.556 0 50 DFAA Cn1cccc1C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 886560929 LOXCUMIXHRTHKU-LBPRGKRZSA-N 312.291 2.507 0 50 DFAA O=C(Cc1cc2ccccc2o1)NC1CC(Cn2ccnc2)C1 1775989002 YJASNVKXTHXDJQ-UHFFFAOYSA-N 309.369 2.767 0 50 DFAA CCCn1cc(CNC(=O)c2cc(COC)cs2)c(C)n1 1775997595 IWXZJHXOVUAADE-UHFFFAOYSA-N 307.419 2.739 0 50 DFAA C[C@@H](OCc1ccccc1)C(=O)N1CCC(c2cn[nH]c2)CC1 345630393 LXZGFMPZEXNYAW-CQSZACIVSA-N 313.401 2.721 0 50 DFAA CC1(NC(=O)Cc2cc(Cl)cc(Cl)c2)CCNCC1 638207866 PYHVDJVHJHTKMX-UHFFFAOYSA-N 301.217 2.794 0 50 DFAA NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 617275 NHUADKYBYROTHJ-QMMMGPOBSA-N 316.188 2.723 0 50 DFAA CCCCOc1cccc(NC(=O)CSc2nncn2C)c1 2969362 YJWVALHSOBNBPI-UHFFFAOYSA-N 320.418 2.725 0 50 DFAA CC[C@@H](C)CC[C@H](O)CC(=O)N1CCC12CCC(CO)CC2 2325741202 PZCZTSIMQGSBIG-CTMQZQKCSA-N 311.466 2.717 0 50 DFAA C[C@H](Sc1nnnn1[C@@H]1CCOC1)c1nc2ccccc2o1 2325772604 DWZJUNWPUAHLEJ-VHSXEESVSA-N 317.374 2.629 0 50 DFAA C[C@H](NCC(C)(C)c1ccn(C)n1)c1cnc2ccccc2n1 2325773785 CRMBGGOOPYEZPJ-ZDUSSCGKSA-N 309.417 2.992 0 50 DFAA Cc1ccc2cc(C(=O)N3CCN(c4ncc[nH]4)CC3)ccc2c1 2325779990 XCWWQGNGXQIPPD-UHFFFAOYSA-N 320.396 2.834 0 50 DFAA O=c1cc(Nc2cnn(C[C@@H]3CCCO3)c2)c2ccccc2o1 2325784032 VSDPBQNSCIJHOG-ZDUSSCGKSA-N 311.341 2.912 0 50 DFAA CN(Cc1nn(C)c2c1COCC2)Cc1cccc2cc[nH]c12 2325784392 ZBMLBUUPINAJLT-UHFFFAOYSA-N 310.401 2.606 0 50 DFAA CCn1nnc2cc(CN3CCNCc4ccccc43)ccc21 2325788827 JPISBHQFGOHOMR-UHFFFAOYSA-N 307.401 2.561 0 50 DFAA O=C(c1ccc2cncn2c1)N1CCCC[C@H]1C1CCOCC1 2325810689 YBCHMKZBSXCTDO-KRWDZBQOSA-N 313.401 2.756 0 50 DFAA CC(=O)Nc1ccc(C(=O)CSc2nnc(C)s2)cc1 1111216 UZXNWYHZNKNIOR-UHFFFAOYSA-N 307.400 2.780 0 50 DFAA O=C(NCCCN1CCCC1=O)c1csc2ccccc12 2872739 WEPCCUSOYSSMIH-UHFFFAOYSA-N 302.399 2.644 0 50 DFAA Cc1cc(C)nc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 2886111 VZRBWFMNBJLIEM-UHFFFAOYSA-N 317.370 2.553 0 50 DFAA O=C(C[C@H]1SCCNC1=O)Nc1ccc(Cl)cc1Cl 4511182 WEXYAMJKQHAZEM-SNVBAGLBSA-N 319.213 2.554 0 50 DFAA CCc1ccccc1NC(=O)CNC(=O)c1ccc(F)cc1 7595885 FAFRZIWPRQZGNX-UHFFFAOYSA-N 300.333 2.757 0 50 DFAA Cc1cccc(C(=O)NCC(=O)Nc2cc(F)ccc2C)c1 8078976 CHWUZEFUIQORPA-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA Cc1cc(Cl)cc(C)c1NC(=O)N[C@H]1CCc2ncnn2C1 133181062 RLQIXHVJFJUQDL-LBPRGKRZSA-N 319.796 2.685 0 50 DFAA COCc1cc(=O)n2ncc(-c3cccc4ccccc34)c2[nH]1 105599729 ZYOBYFFLOKNPTO-UHFFFAOYSA-N 305.337 2.989 0 50 DFAA CO[C@@]1(C)CCCN(C(=O)C2=Cc3ccccc3OC2)CC1 225435605 QRRLUDYNLGTDSD-SFHVURJKSA-N 301.386 2.880 0 50 DFAA O=C(NC[C@H]1CCCO1)N1CCC(OCc2ccccc2)CC1 53507322 KYCNWQIGKSOPOZ-QGZVFWFLSA-N 318.417 2.556 0 50 DFAA C[C@H]1CN([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCN1 420331855 AWKJAUCOTNGFAU-NWDGAFQWSA-N 320.824 2.669 0 50 DFAA CCOC(=O)[C@H](C)NC(=O)CCCc1ccc(OCC)c(C)c1 55306758 BUKDBVVKSANRST-AWEZNQCLSA-N 321.417 2.784 0 50 DFAA Cc1ccccc1CN1CCN(CC(C)(C)C)C[C@@H]1CCO 23360291 PCQXGBRKUZMHOF-SFHVURJKSA-N 304.478 2.910 0 50 DFAA Cc1c(Cl)c(CN2CCc3c(nc(C(C)C)n3C)C2)nn1C 421317914 AQMUMNOKAODOMN-UHFFFAOYSA-N 321.856 2.797 0 50 DFAA COc1ccc(CN(C)c2nc(CCN)nc3ccccc23)cc1 65535046 NNJZWVOINUXMHD-UHFFFAOYSA-N 322.412 2.776 0 50 DFAA CNC(=O)CC1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 67856420 BASXUMBODDYWGS-MRXNPFEDSA-N 320.433 2.869 0 50 DFAA COc1ccsc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250409013 WQYKGVIXUYSJHT-MXWKQRLJSA-N 309.387 2.615 0 50 DFAA CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1cnn(C)c1 119702041 UGHCWAUYLALJFV-GOSISDBHSA-N 315.417 2.610 0 50 DFAA CS(=O)(=O)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1 65384308 IBXKNHWNWGXRKI-UHFFFAOYSA-N 316.426 2.748 0 50 DFAA C[C@H](CN1CCCC[C@@H]1c1ncc[nH]1)NC(=O)OC(C)(C)C 252488637 IVZLHYHOEJJGND-CHWSQXEVSA-N 308.426 2.850 0 50 DFAA CCSc1nnc(NC(=O)c2ccc(Cl)nc2)s1 2726451 JEDNFEMEJPPRGY-UHFFFAOYSA-N 300.796 2.951 0 50 DFAA C[C@@]1(C(=O)N2CCCC2)CC1(Br)Br 2770669 NZKSOWMLOVGLNR-QMMMGPOBSA-N 311.017 2.505 0 50 DFAA O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc2c(s1)CCC2 121576916 QVWJXLSNOQESPI-UHFFFAOYSA-N 311.370 2.669 0 50 DFAA COc1cccc2c1CC[C@@H]2NC(=O)c1cccnc1S 121758776 PLKRNZCSUUJVQY-ZDUSSCGKSA-N 300.383 2.796 0 50 DFAA COc1ccc(OC[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)cc1 77422864 XRYVKLCXIKGVFI-CQSZACIVSA-N 314.385 2.955 0 50 DFAA CCC(CC)CN(CC)C(=O)C(C)(C)S(=O)(=O)C1CC1 253415270 DFRYIXJENKZVLP-UHFFFAOYSA-N 303.468 2.627 0 50 DFAA Cc1conc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 1364187415 UODVDROVPYLDBR-UHFFFAOYSA-N 308.403 2.759 0 50 DFAA CCCc1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)[nH]n1 216020298 ZFTPXZQQGKEMHY-UHFFFAOYSA-N 322.416 2.846 0 50 DFAA O=C(Cc1coc(-c2cccs2)n1)N1CC[C@@]2(CCOC2)C1 153262159 JZWOLRSGTUTEKT-MRXNPFEDSA-N 318.398 2.585 0 50 DFAA Cc1ccnc(C2CCN(C(=O)NCc3ccccc3)CC2)n1 363769506 YYSXLLPZXULVHO-UHFFFAOYSA-N 310.401 2.874 0 50 DFAA COCc1cc(NCCc2ccc(F)cc2)n2nccc2n1 72421231 IIIRFSGEXDKGSI-UHFFFAOYSA-N 300.337 2.669 0 50 DFAA c1ccc(CN2C[C@@H](NCCCn3cccn3)C[C@@H]2C2CC2)cc1 367908889 DIGPRYAQVVYUKD-VQTJNVASSA-N 324.472 2.916 0 50 DFAA Cc1oncc1CN1CCCC[C@H]1c1nnc2n1CCCC2 128441622 MTLHJOJEGQSESW-AWEZNQCLSA-N 301.394 2.638 0 50 DFAA O=C([C@@H]1CCNC1)N(Cc1cc(F)ccc1F)C1CCCC1 237812343 TZHPEAAPQIBYDG-GFCCVEGCSA-N 308.372 2.846 0 50 DFAA CCc1ccc(CN2CCCC[C@H]2CCN2CCN(C)CC2)o1 216257245 YRTGDLCTPLHNGC-KRWDZBQOSA-N 319.493 2.834 0 50 DFAA CC1(C)CCC[C@@H]1NC(=O)N1CCN(c2cccc(O)c2)CC1 174983993 QWDDHCAOWMCNLF-INIZCTEOSA-N 317.433 2.803 0 50 DFAA Cc1cccc([C@H](NC(=O)c2csnc2C)C(=O)O)c1C 263121495 SFWCNHNOWJTLKK-ZDUSSCGKSA-N 304.371 2.624 0 50 DFAA OCc1cc(I)ccc1Br 86012811 WDXHGFYJUQMFDV-UHFFFAOYSA-N 312.932 2.546 0 50 DFAA in-vitro CCc1ccc([C@H](COC)NC(=O)c2ccc3[nH]cnc3c2)o1 176583584 DFDFCKOPOYFVRB-HNNXBMFYSA-N 313.357 2.836 0 50 DFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1c(F)ccc(C)c1Cl 222275613 HGTXSCPDEUXEJV-VXGBXAGGSA-N 315.772 2.711 0 50 DFAA CC(C)c1cc(CSc2nnc([C@H]3CCCNC3)n2C)on1 426604634 UQOKGLJCHCGVCM-NSHDSACASA-N 321.450 2.686 0 50 DFAA CN(CC1CCOCC1)[C@H](C(=O)O)c1cc2ccccc2o1 95392783 FXMVVDKVCGRUNV-INIZCTEOSA-N 303.358 2.917 0 50 DFAA Cc1nn(C)cc1CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95371445 QUQVQNXZWAVMKI-INIZCTEOSA-N 313.401 2.806 0 50 DFAA CCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 426634101 WTZYXSZQNNKOKQ-HNNXBMFYSA-N 321.396 2.589 0 50 DFAA CS[C@@H](C)Cc1cn(CCn2nc(C)c(Cl)c2C)nn1 91364892 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C=CC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1338394496 LPFYKEAQIUMUSX-CYBMUJFWSA-N 322.327 2.621 0 50 DFAA CCc1c(C(=O)Nc2n[nH]c(C3CCC3)n2)cnn1C(C)(C)C 273644157 VTGMLDVOCKBNBY-UHFFFAOYSA-N 316.409 2.838 0 50 DFAA Cc1ccc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)n1 191751152 AZRYEQKCPCSJOH-LJQANCHMSA-N 323.440 2.931 0 50 DFAA C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](CN(C)C)C1 195570416 QNIYBRWVCDOJQL-JKIFEVAISA-N 301.434 2.513 0 50 DFAA CC1(C)C[C@H](CNC(=O)c2cnc3n2CCCCC3)C(C)(C)O1 1615038826 OODUMJVSFZQMBD-CYBMUJFWSA-N 319.449 2.933 0 50 DFAA COC(=O)Nc1cccc(NC(=O)N2CCS[C@@H]3CC[C@@H]32)c1 1615570851 AJFSGARVAITVPI-QWHCGFSZSA-N 321.402 2.977 0 50 DFAA CCc1c(C)noc1NC(=O)c1ccccc1N1CCOCC1 1529125559 QKNLZCOISQZYIP-UHFFFAOYSA-N 315.373 2.634 0 50 DFAA CCc1c(C)noc1NC(=O)[C@H]1CC(=O)OC12CCCCC2 1529194654 BIIDGKYDKVBVTM-GFCCVEGCSA-N 306.362 2.750 0 50 DFAA COc1c(F)cccc1CN1CCC2(CC1)C[C@](C)(O)CCO2 1704305737 RCCRANHSFKCZGU-QGZVFWFLSA-N 323.408 2.730 0 50 DFAA 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DFAA Cc1ccccc1[C@H]1CN(C(=O)c2cc[nH]c3nccc2-3)CCN1 1875284966 XIFKJOBPKNGKIZ-QGZVFWFLSA-N 320.396 2.610 0 50 DFAA O=C(NCC12CC(CO1)C2)N1Cc2cccc3c2[C@@H](CCC3)C1 1875294882 PJMZSLXPIYKVHU-LWGFOQHQSA-N 312.413 2.811 0 50 DFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)CC2CC3(CC3)C2)on1 1875288624 PIUFRNIGMJQWNA-ZDUSSCGKSA-N 310.419 2.640 0 50 DFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Cl)cc2Cl)cn1 1875379138 NQTYWMQSMWVALO-HXPMCKFVSA-N 312.200 2.990 0 50 DFAA c1ccc2oc(NCc3nnc([C@H]4CCCOC4)o3)nc2c1 886079408 WQDDTOXHSNXAMY-JTQLQIEISA-N 300.318 2.717 0 50 DFAA O=C1CCCN1CCc1nc(-c2cnc3ccccn23)cs1 1775992890 ORRSUFURFMSJGM-UHFFFAOYSA-N 312.398 2.623 0 50 DFAA CC1(C)CCCN1CCNC(=O)[C@@H]1CCC[C@@H]2[C@H]1C2(F)F 2325780067 FDXJEEJOVGTMAV-UPJWGTAASA-N 300.393 2.658 0 50 DFAA Cc1ccc(F)c(OCC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1 247075621 QLLZJPFGEAJOCL-GDIGMMSISA-N 311.356 2.967 0 50 DFAA C[C@H]1CCc2c(sc3nc(SC[C@@H](C)O)nc(N)c23)C1 100014 ZJWKLJSZYMCZQD-JGVFFNPUSA-N 309.460 2.871 0 50 DFAA Cc1ccc(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)cc1 121665 ZIXXIQGZMCWBBB-UHFFFAOYSA-N 304.777 2.805 0 50 DFAA O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1 309794 DXFDHKFPMGKBKY-UHFFFAOYSA-N 318.329 2.651 0 50 DFAA Cn1c(SCC(=O)NC2CC2)nnc1-c1cccc(Cl)c1 310947 WEYFZBNKGITMRU-UHFFFAOYSA-N 322.821 2.506 0 50 DFAA O=C(Cc1ccc(F)cc1Cl)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356152067 PPBJWXCYSULLBU-WDNDVIMCSA-N 311.784 2.926 0 50 DFAA CSc1ccccc1NC(=O)c1cnc2sccn2c1=O 6454250 MKNXSYMLCXSFCJ-UHFFFAOYSA-N 317.395 2.730 0 50 DFAA O=C(O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 50919425 KVEWKZXDSGFUCL-JTQLQIEISA-N 301.264 2.529 0 50 DFAA CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 9230803 ANTKEBIRBMVVEZ-KBPBESRZSA-N 318.373 2.865 0 50 DFAA Cc1ccc(Cl)c(OCCOCCN2CCOCC2)c1C 20652962 IGRGESXHZPRVEX-UHFFFAOYSA-N 313.825 2.684 0 50 DFAA O=C(Cc1ccccc1OC(F)F)N1CC[C@@H](N2CCCC2)C1 118328065 CSYFECUYNMHJMF-CQSZACIVSA-N 324.371 2.527 0 50 DFAA C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCCO1 247314530 WHQYXCZFQOEUCG-JQHSSLGASA-N 316.445 2.725 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1 35283871 CJVFDHHLBMPABZ-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(Cl)cn1C 248100595 DRUNDSRWHCZDRO-ZIAGYGMSSA-N 309.841 2.767 0 50 DFAA CCC(C)(C)OC1CN(C(=O)C[C@@H]2Cc3ccccc3O2)C1 1362966847 FHDRHTPIHYHHFP-AWEZNQCLSA-N 303.402 2.796 0 50 DFAA Cc1nc2n(n1)C[C@@H](NC1CC(c3ccc(F)cc3)C1)CC2 127377693 FZVNCQQGQOSGRA-SIWZUTFBSA-N 300.381 2.576 0 50 DFAA O=C(COc1ccc(Cl)c(Cl)c1)NC1=NCCS1 2762398 SDQCXEKKDUVUPI-UHFFFAOYSA-N 305.186 2.591 0 50 DFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 229636043 ZIWUSUAHLGHDBB-QKGCVVFFSA-N 302.484 2.623 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1Cc1cccc2nonc12 77387972 HYWVRIXUPALWHR-CYBMUJFWSA-N 303.362 2.531 0 50 DFAA CCCCn1ncc(N2C(=O)C3(CCC3)N=C2O)c1C(C)C 328595235 OQVXCKFPCKVUCN-UHFFFAOYSA-N 304.394 2.990 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCc2ncsc2C1 438681046 PNQOBROULQJVQL-SECBINFHSA-N 304.419 2.562 0 50 DFAA CCc1[nH]c2c(CNC(=O)[C@H]3CCOC3)cc(F)cc2c1C 71750240 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VPWDRCGTNYJCNL-TZMCWYRMSA-N 300.362 2.615 0 50 DFAA Cn1cccc1C(=O)/N=c1/sccn1Cc1ccccc1F 170091513 KFUWHJYVULFTBN-FBMGVBCBSA-N 315.373 2.817 0 50 DFAA O=C(C1[C@H]2CCCC[C@H]12)N1C[C@@H](CO)[C@H](c2ccsc2)C1 187730162 LSAAFEXZIGSGIH-AJNGGQMLSA-N 305.443 2.719 0 50 DFAA CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cc1 640875186 QMANPWJYDWYWFG-KSZLIROESA-N 316.445 2.528 0 50 DFAA Cc1nnc(CN(CC(=O)O)Cc2ccc(Cl)cc2)s1 652458885 AJZNWKDJPLEYCX-UHFFFAOYSA-N 311.794 2.587 0 50 DFAA O=C(Nc1cccc([C@@H](O)C(F)(F)F)c1)[C@H]1CCCCO1 1615605920 PFJZQHCOFIGAAO-VXGBXAGGSA-N 303.280 2.790 0 50 DFAA CN(C)Cc1ccc(C(=O)Nc2n[nH]c3ccc(F)cc23)o1 1628080113 JHNDFCPJSSZSBI-UHFFFAOYSA-N 302.309 2.609 0 50 DFAA CC[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1c(C)cc(C)cc1C 1772810822 NUPFGFJICJPFOH-GJZGRUSLSA-N 311.447 2.536 0 50 DFAA Cc1cc(C)n(-c2cccc(CN3CCC[C@H]3C3(O)CC3)c2)n1 1772812918 SDURACRYGRCLIE-SFHVURJKSA-N 311.429 2.978 0 50 DFAA CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCO 5958508 JLVLMHDZJGJZEC-UHFFFAOYSA-N 308.765 2.778 0 50 DFAA CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)C2=CCCC2)C1 11937072 RHKKBSVBTGXBOZ-GOSISDBHSA-N 313.445 2.657 0 50 DFAA COc1cc(C)ccc1OCc1nc(C(=O)N2CCCC2)co1 12595612 WKHIQUYVGJRLOO-UHFFFAOYSA-N 316.357 2.807 0 50 DFAA COc1cc(NC(=S)Nc2ccccn2)cc(OC)c1OC 13521132 CRZZQJYLRLATNE-UHFFFAOYSA-N 319.386 2.916 0 50 DFAA COc1ccc(-c2noc([C@H](C)n3cccn3)n2)c(OC)c1 19144229 UWXIOPIYHJIDNW-JTQLQIEISA-N 300.318 2.560 0 50 DFAA O[C@@H](CC1CCCC1)CN1CC[C@@H](c2nc(C3CC3)no2)C1 328946352 BDYZBOLSLVTXJL-CABCVRRESA-N 305.422 2.678 0 50 DFAA CC(C)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 236711846 IUMQRUKDMSLENM-UHFFFAOYSA-N 320.414 2.775 0 50 DFAA COc1ccc2c(c1)CC[C@H](NC(=O)c1ncc(C)cc1C)C2 784162024 KZZWTVRLTJQWIX-INIZCTEOSA-N 310.397 2.994 0 50 DFAA CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cocn2)cc1 496907522 JWGSNGQSDMFOCC-UHFFFAOYSA-N 317.345 2.952 0 50 DFAA NC(=O)c1ccsc1NC(=O)Cc1c(F)cccc1Cl 13328034 LCCIJHXSPWIZGF-UHFFFAOYSA-N 312.753 2.821 0 50 DFAA Cc1csc(C(=O)NCCc2cc[nH]n2)c1Br 952994596 ZMXBPQRKBIIUDB-UHFFFAOYSA-N 314.208 2.515 0 50 DFAA CCCc1cc(=NC(=O)Nc2ccc(Cn3ccnc3)cc2)[nH][nH]1 1875263471 IMSWEBUIJDYOKZ-UHFFFAOYSA-N 324.388 2.673 0 50 DFAA O=C(CCc1nc2cccnc2[nH]1)N1CC[C@H]2CCCC[C@@H]2C1 1875257591 HMHPGMBARVXAFM-ZIAGYGMSSA-N 312.417 2.929 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NCc2ccc3c(n2)CCC3)[nH]1 1875288000 JKERKGBVPWTAIG-UHFFFAOYSA-N 317.396 2.765 0 50 DFAA CCC(O)(CC)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1 1875264739 IQSMEMIYQJUFGO-UHFFFAOYSA-N 323.776 2.727 0 50 DFAA CC(C)Oc1ccc(COC(=O)c2cnc[nH]c2=N)cc1Cl 1875255694 KDZTWOBILMFKJW-UHFFFAOYSA-N 321.764 2.687 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1CCOc2c(F)cccc21 899821571 JHPXCYYPYZZKQK-BXUZGUMPSA-N 323.364 2.903 0 50 DFAA CC[C@H](CC(=O)N[C@@](CO)(COC)c1ccccc1)C(C)C 2325782020 OJOFEKCEMOJXFQ-QAPCUYQASA-N 307.434 2.709 0 50 DFAA CC(C)c1cc(CN2CCOc3c(cccc3C(=O)O)C2)on1 2325787617 LSLKFBNGJFPGLA-UHFFFAOYSA-N 316.357 2.891 0 50 DFAA NCc1nc(C(=O)Nc2cnc3ccc(F)cc3c2)cs1 2325856008 YTHHXEXDCFZCHB-UHFFFAOYSA-N 302.334 2.541 0 50 DFAA O=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl 49466 AAISMRVATULTLV-UHFFFAOYSA-N 317.197 2.867 0 50 DFAA O=C(Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 303799 XPPFVPMNMRGXPI-UHFFFAOYSA-N 316.351 2.856 0 50 DFAA COC(=O)c1ccc(CNC(=S)Nc2ccccc2)cc1 609438 FVSPRPKXXICSGM-UHFFFAOYSA-N 300.383 2.960 0 50 DFAA Cn1cnc2c(C(=O)NCc3cccc4ncsc34)ccnc21 2356143371 FGUMYHOZSSTNKY-UHFFFAOYSA-N 323.381 2.508 0 50 DFAA NCCc1ccc(-c2ccc(C(=O)N3CCCCC3)cn2)cc1 2356164080 DIVZULICBCSBLE-UHFFFAOYSA-N 309.413 2.876 0 50 DFAA CCCCc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 4526618 NJVPYAANQKSHAT-UHFFFAOYSA-N 320.418 2.511 0 50 DFAA O=C1C[C@@H](N2CCCC2)C(=O)N1c1cccc(Cl)c1Cl 4811109 SRLWTSYMWWJLJG-LLVKDONJSA-N 313.184 2.721 0 50 DFAA CCOC(=O)C1CCN(CCOc2ccccc2CC)CC1 6729031 HEMVCPYCHJWRAT-UHFFFAOYSA-N 305.418 2.903 0 50 DFAA N=C(Nc1cccc(Cl)c1)Nc1nc2c(c(=O)[nH]1)CCCC2 9287035 FFXBRGVGUVLWBK-UHFFFAOYSA-N 317.780 2.761 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O 9909195 LXMUCWWIHPRMTR-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA CN(C(=O)c1cn2c3c(cccc3c1=O)CC2)C(C1CC1)C1CC1 55386740 HBOVPRZQZBLIQZ-UHFFFAOYSA-N 322.408 2.818 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1 20399145 ZHBUKKRJYWEJFM-QGZVFWFLSA-N 324.380 2.939 0 50 DFAA COc1ccc(N(C)C(=O)c2cc(Cl)c(O)c(OC)c2)cn1 134988959 SFFULGUJLVEQDG-UHFFFAOYSA-N 322.748 2.734 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 248781195 VTXWMMCOKOWZMP-ARILJUKYSA-N 322.449 2.842 0 50 DFAA COc1cc2cc(CN(C)CC(C)C)c(=O)[nH]c2cc1OC 67655027 KCXMATYRXSWQNR-UHFFFAOYSA-N 304.390 2.633 0 50 DFAA c1ccc(Cc2n[nH]c(-c3cccc(-n4cnnc4)c3)n2)cc1 65455889 PIAKOWBLIILRIA-UHFFFAOYSA-N 302.341 2.643 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 125352437 WBBFBNXGJYFLTB-KGYLQXTDSA-N 312.335 2.629 0 50 DFAA CN(CCCOc1cccc(Cl)c1)C(=O)C[C@H]1CCNC1 128459323 UFNHEHGHDLDMEU-CYBMUJFWSA-N 310.825 2.567 0 50 DFAA CC(=O)N[C@H]1CCN(Cc2cnc(-c3ccccc3C)s2)C1 65394190 HAHPEKRSCUFSQV-AWEZNQCLSA-N 315.442 2.829 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)no1 252491888 LYJDXAONVGDYMT-PWSUYJOCSA-N 323.393 2.501 0 50 DFAA CCOC(=O)c1c2ccc(OCC(=O)O)cc2n2ccccc12 1398656 DKPOZROBQZDELO-UHFFFAOYSA-N 313.309 2.733 0 50 DFAA CS[C@@H]1CC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)C1 252511464 HBTRIUAKEWKKAN-RVMXOQNASA-N 312.435 2.675 0 50 DFAA O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)[C@H]1COCCO1 252500257 SQEXETPHODJGCD-MRXNPFEDSA-N 323.352 2.584 0 50 DFAA CCc1ccc(CCC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1 71388760 QLTDXIIUSBTIAI-CQSZACIVSA-N 315.335 2.971 0 50 DFAA Cc1cc(CC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)n[nH]1 121228733 SMJQQOYBJHRZIJ-AWEZNQCLSA-N 301.390 2.992 0 50 DFAA Cc1c([C@H](C)NC(=O)N2CCC[C@H]2CO)oc2ccccc12 172472583 CPQDXOHUMCVECJ-STQMWFEESA-N 302.374 2.969 0 50 DFAA C[C@H](N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 253393582 QWJBRAJWLHSRDC-AEGPPILISA-N 322.453 2.907 0 50 DFAA C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)O)C2)o1 328589233 QQYUAPARBACIKT-BFPZSUPCSA-N 303.358 2.739 0 50 DFAA CNC(=O)c1ccc(NC(=O)[C@@H](OC)c2ccccc2)c(C)c1 78906239 IOXOKNXMJGCJKY-INIZCTEOSA-N 312.369 2.681 0 50 DFAA CCc1nc2c(s1)[C@@H](NCc1ccnc(N(C)C)n1)CCC2 331803459 MQMPSLXOKXACAR-LBPRGKRZSA-N 317.462 2.729 0 50 DFAA Cc1nn(C)cc1C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 363530641 PTYLSOSZRMVATI-HNNXBMFYSA-N 301.365 2.715 0 50 DFAA C[C@@H]1OCC[C@]1(C)NC(=O)c1cc(-c2ccc(F)cc2)on1 332225502 ZMUNVBFRXWCGIY-QFYYESIMSA-N 304.321 2.778 0 50 DFAA CCc1oc(C(=O)OC)cc1CNc1c(C)cccc1C(N)=O 154970478 WVKNQUHPGRAGCF-UHFFFAOYSA-N 316.357 2.648 0 50 DFAA O=C1CCCN1C[C@H]1CCCCN1Cc1ccc2c[nH]nc2c1 367423495 TZSKJGIAYRTTCP-MRXNPFEDSA-N 312.417 2.540 0 50 DFAA CC(C)[C@@H]1CN(Cc2cccnc2)CCC(=O)N1CC1CC1 71754096 WIUPEDLTVRVQCR-KRWDZBQOSA-N 301.434 2.551 0 50 DFAA c1cc2nccc(N3CC[C@@H](c4nc(C5CC5)no4)C3)c2cn1 333401214 FSMODSNOACMBKW-GFCCVEGCSA-N 307.357 2.884 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](C(N)=O)c2ccc(F)cc2)o1 237364430 HIJLVULDDBZXKJ-FUEDEBDSSA-N 302.349 2.858 0 50 DFAA CC1(NC(=O)Nc2nnc(C3CCOCC3)s2)CCCC1 333704706 RZLYCJKQNRDAAM-UHFFFAOYSA-N 310.423 2.886 0 50 DFAA CCCc1ncc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)s1 262453682 UYRIDWWVEXESQO-TUAOUCFPSA-N 322.430 2.954 0 50 DFAA CCCCCc1ccc(NC(=O)[C@@H](O)c2cnn(C)c2)cc1 242389613 ZYUASOADLPWSHK-INIZCTEOSA-N 301.390 2.825 0 50 DFAA C[C@H](NC1CCN(C(=O)c2ccccc2)CC1)C1CCOCC1 378166260 RCYPWELYTZTNOV-HNNXBMFYSA-N 316.445 2.696 0 50 DFAA Clc1nc(Cl)c2cc(I)cn2n1 72194220 COKYXHLFNIWPAL-UHFFFAOYSA-N 313.913 2.641 0 50 DFAA O=c1[nH]nc([C@@H]2CCCN([C@@H]3CCc4c(Cl)cccc43)C2)o1 284444762 ZQSSKKWEHACWAO-QMTHXVAHSA-N 319.792 2.883 0 50 DFAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@H]1C(F)F 606445198 LYSSNCHPPMKVND-NSHDSACASA-N 309.341 2.614 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1c1ccc(Cl)cc1 263260195 UPONETACDFIFDY-MJBXVCDLSA-N 319.788 2.767 0 50 DFAA O=C(COc1cccc(F)c1)N[C@H]1COC2(CCCCC2)C1 426382723 NIALDMPJPPUBHL-CQSZACIVSA-N 307.365 2.813 0 50 DFAA CCC[C@@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@H]1N(C)C 82121450 WBZVLGRRALNDAU-NVXWUHKLSA-N 304.434 2.514 0 50 DFAA CC[C@@H](NC(=O)c1cccc(OCCN)c1)c1cc(C)ccn1 426429836 QDHQJRXFEJETEO-MRXNPFEDSA-N 313.401 2.609 0 50 DFAA CC[C@@H](NC(=O)c1nc2ccc(C)cn2c1F)c1ncc(C)[nH]1 426668972 IRWKWIAZZBXFMK-LLVKDONJSA-N 315.352 2.694 0 50 DFAA Cc1nc(C)c(CC(=O)NC[C@H]2COc3ccccc3C2)s1 95517077 GHFUNSHPQDVCGJ-ZDUSSCGKSA-N 316.426 2.670 0 50 DFAA COc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1 294171613 MREVTTKVLSAKDX-MRXNPFEDSA-N 301.386 2.726 0 50 DFAA COCCCCN1CCN(C(=O)Nc2cccc(C)c2)CC1 96137463 CIHLRQRHDNHZJN-UHFFFAOYSA-N 305.422 2.571 0 50 DFAA O=C(NCC12CCCN1CCC2)c1ccc([C@@H]2CCCO2)s1 91694058 NFZYVJCBLWEZRQ-ZDUSSCGKSA-N 320.458 2.958 0 50 DFAA CCc1cc(CN(C)CCC(=O)NC2CCCCCC2)on1 240824823 QLDGVYOZDMGORM-UHFFFAOYSA-N 307.438 2.898 0 50 DFAA Nc1cnccc1-c1cccc(C(=O)NCCCN2CCCC2)c1 534671731 VSBXDGLYNJCQHE-UHFFFAOYSA-N 324.428 2.547 0 50 DFAA CC1(C)C[C@H](O)CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 449618900 MKELFUVQDUYVLI-QGZVFWFLSA-N 317.408 2.994 0 50 DFAA Cc1cc(C)n(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)n1 268102082 XNPDKYDWOHNHDF-HNNXBMFYSA-N 301.365 2.655 0 50 DFAA NNc1nc(-c2ncc(C(F)(F)F)cc2Cl)ncc1F 261494794 HHEIFXVRWBBHQG-UHFFFAOYSA-N 307.638 2.636 0 50 DFAA Cc1nc(CN[C@@H]2CCCN(Cc3cccs3)C2)n(C)c1C 952871759 AFNLUFIXSUTHDT-OAHLLOKOSA-N 318.490 2.853 0 50 DFAA Cc1cc(C)c(C(=O)O)cc1NC(=O)CCn1cc(Cl)cn1 630160463 CHTKJEXCJQZOSH-UHFFFAOYSA-N 321.764 2.880 0 50 DFAA Cc1ccc2oc(CNCCN3CCC[C@H](CO)C3)c(C)c2c1 952974158 SWGOYBQGJCVFCZ-INIZCTEOSA-N 316.445 2.844 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 91302982 GNEASONALBKLGH-KDOFPFPSSA-N 316.401 2.527 0 50 DFAA in-vitro CC[C@H](NC(=O)c1csc(C(C)(C)C)n1)[C@H](O)C(F)(F)F 270923374 VEHQXDPSDXXOSD-CBAPKCEASA-N 324.368 2.872 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1cnn(-c2ccccc2F)c1 189232333 GTWYGKNLYYQTOG-AAEUAGOBSA-N 303.337 2.765 0 50 DFAA C[C@@H]1CN(Cc2ncccc2C(=O)O)C[C@H](c2ccccc2)O1 652401509 KUURQLLOZRYHIA-CXAGYDPISA-N 312.369 2.742 0 50 DFAA CCOc1cccc(C(=O)N2CCC[C@@H](c3nnc(C)o3)C2)c1 652595703 FNBOBLYRHZWMJF-CQSZACIVSA-N 315.373 2.797 0 50 DFAA N[C@@H]1C[C@H](c2nc(-c3ccccc3Br)no2)[C@H]2C[C@H]21 1615059206 XJIXIEUOVHHTCJ-MIZYBKAJSA-N 320.190 2.950 0 50 DFAA Cc1n[nH]c(C)c1CN1CCCN(Cc2cccs2)CC1 1506416412 FYTZXPKCVBNYLB-UHFFFAOYSA-N 304.463 2.796 0 50 DFAA Cc1ccc(O)c(CN2CC[C@H](c3sccc3C)[C@@H](O)C2)n1 210165510 YSFNJKXBGLKCNR-BBRMVZONSA-N 318.442 2.816 0 50 DFAA Clc1cccc(OC2CN(c3ncnc4cc[nH]c34)C2)c1 1772813236 VURDNBXZUVZEOV-UHFFFAOYSA-N 300.749 2.879 0 50 DFAA COCc1nnc(N(C)CCCOc2cccc(Cl)c2)o1 1772712273 MNNOCCVZTVVDFB-UHFFFAOYSA-N 311.769 2.775 0 50 DFAA Cc1cnnc(N2CCC[C@H](c3nnc4ccccn34)C2)c1C 1857671699 YAYSFCYATKQXHM-AWEZNQCLSA-N 308.389 2.520 0 50 DFAA Cc1nnc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)o1 225453907 ZQALUXBFPRQZRR-YGRLFVJLSA-N 307.781 2.993 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 237519293 WZLOWBGYOVTRPU-GWCFXTLKSA-N 318.808 2.682 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1F 253395269 RSSPULHJDABVEK-HZMBPMFUSA-N 323.318 2.769 0 50 DFAA O=C(c1cscn1)N1CCNC[C@@H]1c1cccc(Cl)c1 261632620 DAFVGXCAPYKBEO-CYBMUJFWSA-N 307.806 2.583 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N(C)Cc1cscn1 158095039 JVNXCBFJZCEXKK-OLZOCXBDSA-N 311.451 2.878 0 50 DFAA CO[C@@H](C)CC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 378111036 HTUFYSXWWCWUMV-FUHWJXTLSA-N 318.461 2.830 0 50 DFAA Cn1cccc1[C@H]1COCCN1C(=O)c1cc2ccccc2[nH]1 163890606 UUUKZYFLTGRFLP-QGZVFWFLSA-N 309.369 2.720 0 50 DFAA O=C(CCC1CCCCC1)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910619597 VULLEQXJBCEIBJ-CSLYMUCUSA-N 323.433 2.876 0 50 DFAA O=c1cc(CN2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c2ccc(O)cc2o1 815160764 MHNDWTGGHFEADY-IYVPYFHTSA-N 311.381 2.977 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N2CCC(F)(F)C[C@H]2C)cc1 863013225 MMLPZSRHVUSEAQ-GFCCVEGCSA-N 322.355 2.749 0 50 DFAA Cc1sncc1C(=O)NCc1ccc(N2CCCC2=O)cc1 1875280013 PMZQZGLBLWVNDX-UHFFFAOYSA-N 315.398 2.508 0 50 DFAA C=CC(=O)N[C@H]1CCN(Cc2cc(-c3ccc(C)cc3)no2)C1 1875383702 CYOOKUAHTPMDAT-HNNXBMFYSA-N 311.385 2.527 0 50 DFAA COc1ncc(C(=O)N2C[C@@H](c3ccccc3)CC2(C)C)cn1 885237076 KGPZGGTUQNOUSA-AWEZNQCLSA-N 311.385 2.894 0 50 DFAA CC[C@@H](C)OC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 1775999580 VOPBOHQHMATJCQ-OLZOCXBDSA-N 302.378 2.844 0 50 DFAA CCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 20608826 AZLHCMSHEPGZDA-UHFFFAOYSA-N 316.232 2.569 0 50 DFAA c1ccc(-n2cc(CN3CCC[C@]4(CCCO4)CC3)nn2)cc1 216278645 GGVWHLMNNWBUET-SFHVURJKSA-N 312.417 2.802 0 50 DFAA COc1cc(C=O)cc(I)c1OC(C)C 90497 ZKOJOHVHINMYAF-UHFFFAOYSA-N 320.126 2.900 0 50 DFAA CCOC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C 455020 MAUARNLUDJTUHZ-NSHDSACASA-N 304.342 2.994 0 50 DFAA COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C 470636 YOAOFUYVZKWZCW-UHFFFAOYSA-N 305.399 2.824 0 50 DFAA COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F 528769 AZWOHKMSFQHZKV-UHFFFAOYSA-N 316.741 2.684 0 50 DFAA COC(=O)[C@@H](c1ccccc1C)N1CCC[C@@H](n2cccn2)C1 221860493 SPRGYPRTERYQJB-NVXWUHKLSA-N 313.401 2.743 0 50 DFAA Cc1cn2c(n1)[C@@H](CNc1cc(OC(C)C)ncn1)CCC2 413208943 SPZAPUXOZCRFMC-CYBMUJFWSA-N 301.394 2.758 0 50 DFAA CCOC(=O)c1cnc2cc(-c3cccc(Cl)c3)nn2c1O 103903948 LSHJLBLZNWHVRN-UHFFFAOYSA-N 317.732 2.932 0 50 DFAA Cc1n[nH]c(NC(=O)NCC2(c3ccccc3F)CCCC2)n1 23129422 UTRKPVUBOAIGCO-UHFFFAOYSA-N 317.368 2.886 0 50 DFAA COc1cc(N(C)Cc2cn[nH]c2-c2ccc(F)cc2)ncn1 67540982 KNGVLDSWTYGSQG-UHFFFAOYSA-N 313.336 2.651 0 50 DFAA Cc1c(Cl)cccc1-n1nc(C(C)C)nc1CCNC(N)=O 65405967 ZFVFERCZTPGPMT-UHFFFAOYSA-N 321.812 2.563 0 50 DFAA O=C(NCC[C@@H]1CCCN(Cc2ccco2)C1)c1ccc[nH]1 67908933 RQAVJZWWTXTMSQ-AWEZNQCLSA-N 301.390 2.640 0 50 DFAA C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 252513288 YAZHQDHTCWXUQY-AETAKHFUSA-N 314.429 2.951 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C[C@H]2CCCCO2)c2ccccc21 317117453 CNSPTBCPYHYMGR-OCCSQVGLSA-N 303.358 2.551 0 50 DFAA c1cnn(Cc2ccc(CN3CCC4(CCNCC4)CC3)cc2)c1 72133433 SQHWMFUXOKQRRO-UHFFFAOYSA-N 324.472 2.897 0 50 DFAA CCCc1cc(-c2nc(CC3CCN(C)CC3)no2)ccn1 71278504 FCGCCRSGKXHAAO-UHFFFAOYSA-N 300.406 2.968 0 50 DFAA CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ccccc1 34425303 NYDBNCNJNINSDW-ZDUSSCGKSA-N 322.430 2.613 0 50 DFAA COc1ccc2cc(CN3CCC[C@](O)(CO)CC3)ccc2c1 72133751 JLRUNYFYQWMVNN-LJQANCHMSA-N 315.413 2.558 0 50 DFAA CCOc1cncc(N[C@H]2CCOc3cc(OC)ccc32)n1 377343441 DMACFPPYPBKWIG-ZDUSSCGKSA-N 301.346 2.820 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H]2c2cccn2C)c2cnn(C)c2n1 175209794 XPIDWLFKCOJCBO-MRXNPFEDSA-N 323.400 2.593 0 50 DFAA O=C(NC[C@@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1 43192433 CTANRKJYUZZTOP-VIFPVBQESA-N 304.268 2.743 0 50 DFAA CCCC[C@@H]1C=CCN1C(=O)c1cc2c([nH]c1=O)CCCC2 96142089 AEVYINVFWARJMX-CQSZACIVSA-N 300.402 2.825 0 50 DFAA CCC[C@@H]1CN(C(=O)c2ccccc2SC)C[C@H]1C(=O)O 91780345 ALEQUSJNJPJPIM-DGCLKSJQSA-N 307.415 2.981 0 50 DFAA COc1ccc(-c2cn(Cc3ccc4c(c3)CCCO4)nn2)cn1 95377202 KFUATFWNMILNDK-UHFFFAOYSA-N 322.368 2.722 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC2CCNCC2)[C@@H](C)CO1 237706124 JFMQPDNJMRFPFF-YJBOKZPZSA-N 316.445 2.673 0 50 DFAA CSCC[C@@H](C)NS(=O)(=O)c1cccc2ccncc12 914132592 RSNLJBLZMFWGAP-LLVKDONJSA-N 310.444 2.655 0 50 DFAA Cc1cccc2c1NC(=O)[C@@H]2CC(=O)N1C[C@H]2CC=CC[C@H]2C1 95526419 XGYDYFDQPKNDDR-IJEWVQPXSA-N 310.397 2.845 0 50 DFAA OCc1ccc(C(F)(F)F)cc1I 91297294 KYPRZVRKNSVLNI-UHFFFAOYSA-N 302.033 2.802 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2cc(-c3cccnc3)no2)C1 244690963 JAELGYOQICWXJW-AWEZNQCLSA-N 312.417 2.795 0 50 DFAA Clc1ccc(N2CCN(CCCc3cccnc3)CC2)nc1 244633161 FXUGUQLMACLTJW-UHFFFAOYSA-N 316.836 2.885 0 50 DFAA CC1=CC[C@@H]2CN(C(=O)c3[nH]c(C)c(C(=O)O)c3C)C[C@@H]2C1 252499141 RWBRYQCSEDFHSE-OLZOCXBDSA-N 302.374 2.758 0 50 DFAA CN1Cc2ccccc2C[C@H]1C(=O)NCCCCc1ccccn1 299771349 WQDSHCKXMUOOAV-IBGZPJMESA-N 323.440 2.577 0 50 DFAA CN1C(=O)CN(C(=O)Nc2cccc(F)c2)Cc2ccccc21 1434676112 LCGOLQPYJCROAY-UHFFFAOYSA-N 313.332 2.836 0 50 DFAA CC(C)(C(=O)NCCc1cccc2cccnc12)c1cnc[nH]1 408524348 SOVGOVYFCGEHBE-UHFFFAOYSA-N 308.385 2.594 0 50 DFAA CCC[C@]1(COC)CCCN1C(=O)c1cc(C(=O)O)cnc1C 630184001 XSYVXVWVLGXNQF-QGZVFWFLSA-N 320.389 2.510 0 50 DFAA CC(C)N1CCC[C@H](Nc2cnn(Cc3ccccc3)c2)C1=O 186247611 RZTAMZFNPLUUCA-KRWDZBQOSA-N 312.417 2.743 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1-n1ccnc1 277419658 USPGDEKTISMNLM-NVXWUHKLSA-N 313.401 2.694 0 50 DFAA COc1cc(-c2noc(C[C@@H](C)c3c(C)n[nH]c3C)n2)ccn1 170606778 QANUSRXPRZZYGP-SECBINFHSA-N 313.361 2.826 0 50 DFAA COc1ccc(NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)cc1F 170601231 RVOLRUFGLHDYQJ-SNVBAGLBSA-N 310.369 2.714 0 50 DFAA CCc1cc(C(=O)N2CCC(c3ncc(C)s3)CC2)n(C)n1 635857889 LBDFNYOFJCSBHW-UHFFFAOYSA-N 318.446 2.767 0 50 DFAA CN(C)c1ccncc1CN[C@H]1CCOc2ccc(F)cc21 189583213 DTABSYQOSBGPOE-HNNXBMFYSA-N 301.365 2.900 0 50 DFAA Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1F 189784082 BBGLFJDDFOMTDK-UHFFFAOYSA-N 324.359 2.892 0 50 DFAA CC[C@H](C(=O)O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 191417803 ZFGWJOQCUSWNQE-HUUCEWRRSA-N 311.809 2.949 0 50 DFAA COc1cc(CN2CCO[C@@H](C(F)F)C2)ccc1OC(C)C 585080711 VJBNFZZACIVJEU-OAHLLOKOSA-N 315.360 2.948 0 50 DFAA Cc1ccc(C(N)=O)cc1NC(=O)NC1(C2CCC2)CCC1 585087129 PPNQPGODCGBQSP-UHFFFAOYSA-N 301.390 2.938 0 50 DFAA CC(C)CO[C@@H](C)C(=O)NCc1cc(Br)ccn1 585086782 CALOGCYKNVJRNV-JTQLQIEISA-N 315.211 2.521 0 50 DFAA Cc1cccc2nc(C3CCN(C(=O)c4cncn4C)CC3)oc12 585084648 BWOQZJXXPMZKMS-UHFFFAOYSA-N 324.384 2.890 0 50 DFAA CN(C(=O)Nc1ccncn1)[C@@H]1CCCN(c2ccccc2)C1 194047690 LJCBBBMAUURVOR-OAHLLOKOSA-N 311.389 2.609 0 50 DFAA COc1cccc(C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 194997739 BJWIWJJCHHJKPT-KGLIPLIRSA-N 303.406 2.704 0 50 DFAA CC[C@H](O)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC 1615570891 BQPVTMIXQQHXCL-SOUVJXGZSA-N 314.470 2.773 0 50 DFAA CCC[C@@H](NC(C)=O)C(=O)Nc1nc2c(F)cccc2s1 1529144024 CTEXFAWZNKEWNE-SNVBAGLBSA-N 309.366 2.679 0 50 DFAA Cc1ccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)s1 216192990 BSLKLFRFBWGWLQ-CABCVRRESA-N 304.459 2.889 0 50 DFAA COc1c(Cl)cc(Cl)cc1CNCC1(O)CCOCC1 237301228 OBAJMSDBCDKOTQ-UHFFFAOYSA-N 320.216 2.633 0 50 DFAA COC(=O)c1cc(Cl)ncc1N(C)C(=O)OC(C)(C)C 149741402 ZPAUQPSJRUYRRV-UHFFFAOYSA-N 300.742 2.893 0 50 DFAA in-vitro Cc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 5584066 JVCYTVWTHQBKRU-UHFFFAOYSA-N 312.442 2.909 0 50 DFAA Cc1cc(C)cc(-n2nnc(C(=O)NCc3cccnc3)c2C)c1 12274801 MRSXWVLYYVOPIG-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1C1CCCC1 12409209 ZXYNFRLKVAUWBM-UHFFFAOYSA-N 323.278 2.573 0 50 DFAA O=C1C[C@H](NCc2ccccc2)C(=O)N1c1cccc(Cl)c1 19372691 RUDRBQOSESVMRS-HNNXBMFYSA-N 314.772 2.762 0 50 DFAA COc1nc2c(cc1C(=O)N1CCOc3ccccc31)CCC2 19732331 VFFJBDNPWDVEBN-UHFFFAOYSA-N 310.353 2.618 0 50 DFAA CC(C)(C)N[C@@H](NC(=O)c1cccnc1)C(Cl)(Cl)Cl 19832548 GABHVJBYVVLPMZ-SNVBAGLBSA-N 324.639 2.896 0 50 DFAA Cc1cc(NC(=O)N[C@H]2CCc3c(O)cccc32)nn1C(C)C 421175092 ZTPKYMVRNNLVFM-AWEZNQCLSA-N 314.389 3.287 0 50 DFAA NC(=O)[C@@H]1CCCC[C@H]1NCc1ncc(-c2ccccc2F)o1 130792084 JTAUCPRWJMOPKM-TZMCWYRMSA-N 317.364 2.614 0 50 DFAA C[C@H](CC(=O)N1CC[C@@H](N)C1)c1ccccc1C(F)(F)F 132636542 FZTMTZXNGMTBHT-GHMZBOCLSA-N 300.324 2.759 0 50 DFAA Cn1c(CN2CCC[C@H](Oc3ccccc3)C2)nnc1C1CC1 369286958 DNIXDPHGOSZBII-INIZCTEOSA-N 312.417 2.736 0 50 DFAA Cc1cc(C(=O)N2CCN[C@@H](c3cccnc3)C2)sc1C 374372146 CJWRAUUSBOWJDS-CQSZACIVSA-N 301.415 2.547 0 50 DFAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 912837010 KYLMCGPVUIXDEY-NSHDSACASA-N 318.270 2.794 0 50 DFAA FC(F)CN1CCC(Cc2nc(-c3ccsn3)no2)CC1 904084203 SPSRBMCXFFRRPT-UHFFFAOYSA-N 314.361 2.713 0 50 DFAA NC(=O)c1ccc(C(=O)N2CCCCC[C@H]2C(F)(F)F)s1 906185342 WZUDCNWWZYVRBZ-JTQLQIEISA-N 320.336 2.794 0 50 DFAA O=C(Nc1cnc2c(c1)COCC2)N[C@H](c1ccccn1)C1CC1 930752267 IQMYVIIGGLNZPS-KRWDZBQOSA-N 324.384 2.822 0 50 DFAA O=C(c1ccc(CF)cc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 832511755 KFEYFWQTUZSRIX-LJQANCHMSA-N 324.355 2.892 0 50 DFAA COC1(c2noc([C@H]3COc4ccc(O)cc4O3)n2)CCCC1 864234417 VDHOSPLIZOMGTN-CYBMUJFWSA-N 318.329 2.703 0 50 DFAA CCCOc1cc(F)ccc1NC(=O)NCc1cccnc1N 952884219 WBVXPOGNRQXUTR-UHFFFAOYSA-N 318.352 2.913 0 50 DFAA Cc1nccc([C@@H](C)NC(=O)c2ccn(Cc3ccccc3)n2)n1 1875256460 MNRWEEKVMXAAQC-CYBMUJFWSA-N 321.384 2.521 0 50 DFAA C[C@H]1CCCC[C@H]1N1CCC2(CC1)NC(c1ccco1)=NO2 1875392332 WAMTYKPWOMWNOE-UONOGXRCSA-N 303.406 2.932 0 50 DFAA CCCn1nc(COCC)nc1-c1cn(C2CCCCC2)nn1 1875349462 YFBHHFOLLXNJPZ-UHFFFAOYSA-N 318.425 2.988 0 50 DFAA Cc1ccc(CNC(=O)CN2CCC(F)(F)[C@H](C)C2)s1 1775986360 CUJVIQMYXCYZBD-SNVBAGLBSA-N 302.390 2.650 0 50 DFAA C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc(C(F)(F)F)n[nH]1 1776003848 IHUKPGQKDGQGQO-ZPWHCFADSA-N 311.373 2.626 0 50 DFAA COc1cccc(C2CN(C(=O)Cc3cn4ccccc4n3)C2)c1 2325786589 CELDEJLFJHWILD-UHFFFAOYSA-N 321.380 2.511 0 50 DFAA C[C@H]1CN(C)C[C@H]1NC(=O)c1cc2cc(Cl)ccc2n1C 2325870989 XWTKBTIOJDHCOO-GXFFZTMASA-N 305.809 2.512 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)NCCCn1ccnc1 1795900 KZRGLZSJVNLGOM-UHFFFAOYSA-N 310.357 2.667 0 50 DFAA CC[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C)c1 2812163 OHUFKVSGLRPJQU-VIFPVBQESA-N 313.195 2.611 0 50 DFAA CCCCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2ccccc21 2862762 WYFFMWVPBJFMHY-SFHVURJKSA-N 313.353 2.887 0 50 DFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 4095420 RKTUQGBOSPYZOS-UHFFFAOYSA-N 321.808 2.900 0 50 DFAA CCC(=O)Nc1ccc2c(c1)nc(CCn1ccnc1C)n2C 6665113 WIMYRCBJBRDNCY-UHFFFAOYSA-N 311.389 2.669 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 6697627 MWHZJHXCCOXOFI-JSGCOSHPSA-N 300.402 2.611 0 50 DFAA CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(N)=O)cc1 6744969 OPUJFTWEUJVJRI-GFCCVEGCSA-N 312.369 2.754 0 50 DFAA O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 222180035 KYSXNVXJRMWWRR-IJLUTSLNSA-N 315.339 2.683 0 50 DFAA COc1ccc(CNc2cc(NC3CC3)ncn2)c(OC)c1 413066879 IDPMWYYFKMUVNB-UHFFFAOYSA-N 300.362 2.680 0 50 DFAA CN1C(=O)CN(C(=O)Nc2ccccc2F)[C@H]1c1ccccc1 225394274 YQUBSVGPAJCCCV-INIZCTEOSA-N 313.332 2.830 0 50 DFAA CC(=O)NCC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 225534664 DPCVTRMOSSAWIX-UHFFFAOYSA-N 316.445 2.748 0 50 DFAA CC(=O)OCc1c(C)cc(C)c(CNCc2ccnn2C)c1C 55255582 OXHNNHAINWNVSJ-UHFFFAOYSA-N 315.417 2.698 0 50 DFAA Cc1nc(CC(C)C)cc(-c2nc(C)nn2-c2ccccn2)n1 65406572 GEHJEGNIOAEQES-UHFFFAOYSA-N 308.389 2.935 0 50 DFAA CC[C@]1(O)CCCN(CCC(=O)Nc2ccc(OC)cc2C)C1 65530825 UHAGFNCJVFGQPD-SFHVURJKSA-N 320.433 2.569 0 50 DFAA CCN(CC)S(=O)(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 432286266 XXTIGAJXFYEPBJ-CYBMUJFWSA-N 316.854 2.716 0 50 DFAA COc1cc(F)c(F)cc1NC(=O)NCCCN1CCCC1 353739501 ULXDGCRNYNEBPD-UHFFFAOYSA-N 313.348 2.581 0 50 DFAA O=C(N[C@H]1CCCCC[C@@H]1C(=O)O)c1csc(C2CC2)n1 120178164 DKXPKXLFWPWUCH-QWRGUYRKSA-N 308.403 2.784 0 50 DFAA C[C@H](NCC[C@H]1CCCO1)[C@@H](c1ccccc1)N1CCOCC1 229854877 IEZOAAPBRHDMNS-UHOSZYNNSA-N 318.461 2.607 0 50 DFAA COCCN(C)CC(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1 219875195 YRHPOLKRTRNOQY-OAHLLOKOSA-N 324.852 2.624 0 50 DFAA O=C(Nc1ccc2c(c1)OCCO2)c1noc2c1CCCC2 2808229 GQYFCZDAMWNARU-UHFFFAOYSA-N 300.314 2.577 0 50 DFAA CCOC(=O)[C@@H](F)Sc1nccn1-c1cccc(OC)c1 253426532 WONPOEFQLAATLJ-LBPRGKRZSA-N 310.350 2.832 0 50 DFAA O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc[nH]1 253494184 WSDTXLMDIVZZPG-GFCCVEGCSA-N 303.793 2.924 0 50 DFAA CCCc1cc(C(=O)N[C@H](c2cccc(C)n2)C2CC2)n(C)n1 77488475 QPIACEDBATWPMV-KRWDZBQOSA-N 312.417 2.957 0 50 DFAA CCn1cc(C(=O)NCc2cccc(-c3cccnc3)c2)cn1 363829457 WAEQQBVKBLYMDV-UHFFFAOYSA-N 306.369 2.895 0 50 DFAA CNC(=O)C[C@@H](C)N(C)Cc1ccccc1OC1CCCC1 216177239 YIXOKLPLRSGJQQ-CQSZACIVSA-N 304.434 2.964 0 50 DFAA c1cc(CN2CCC(CCn3cccn3)CC2)c2nonc2c1 77459924 XBSBUBWYICYEOA-UHFFFAOYSA-N 311.389 2.722 0 50 DFAA Cc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccccn2)cc1Cl 492833850 TUVBNDHEAGNOQZ-KXPUMZMLSA-N 316.788 2.906 0 50 DFAA Cc1ccccc1CC(C)(C)NC(=O)[C@@H]1CC12CCNCC2 237717139 UEBPGGNOOJZUSG-INIZCTEOSA-N 300.446 2.822 0 50 DFAA Cc1cc(C)n([C@H]2CCN(C(=O)CCc3scnc3C)C2)n1 82170568 ZOPWXYFABRZPSX-AWEZNQCLSA-N 318.446 2.671 0 50 DFAA Cc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 241965758 UVJKFNOKBNDBJL-NWANDNLSSA-N 301.390 2.859 0 50 DFAA C[C@H](NC(=O)N[C@@H](CCCO)c1ccccc1)C(C)(F)F 455783199 KMOMEKYJEOOCFP-AAEUAGOBSA-N 300.349 2.843 0 50 DFAA O=C(NCCCc1ccccc1)N[C@H](CO)Cc1ccccc1 132473266 GKUBBFLFSBTRMW-SFHVURJKSA-N 312.413 2.522 0 50 DFAA c1cn(CC2CC2)c(C2CCN(CC[C@H]3CCOC3)CC2)n1 82109644 XCFAPSKTUUNAKX-INIZCTEOSA-N 303.450 2.899 0 50 DFAA CCCc1cc(CN(C)C(=O)N[C@H](C)c2c(C)n[nH]c2C)n[nH]1 426409272 HIWFGLLDFSMMPB-SNVBAGLBSA-N 318.425 2.605 0 50 DFAA CN1CCC[C@@H](CCC(=O)N2CC(OCc3ccccc3)C2)C1 95379894 VLMYAMUMOUXRKR-INIZCTEOSA-N 316.445 2.536 0 50 DFAA 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2.764 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1ccnc(C)n1 137172307 BIUYLQPXPKYWFP-GJZGRUSLSA-N 320.437 2.520 0 50 DFAA CC[C@@H](O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 156969020 YCNHFDAWPSOBMJ-MRVPVSSYSA-N 302.248 2.962 0 50 DFAA O[C@H](c1ccccc1)c1cn(Cc2ccn(C3CCCC3)n2)nn1 393242167 NBJDBWZIKXPVAW-GOSISDBHSA-N 323.400 2.720 0 50 DFAA C[C@H](NC(N)=O)c1noc(-c2ccc(F)c(C(F)F)c2)n1 904071501 RVTBAKPQZUGLJF-YFKPBYRVSA-N 300.240 2.543 0 50 DFAA CN(C)c1ccc(NC(=O)c2c[nH]nc2-c2ccccn2)cc1 809942866 YZRQHWVHFCWWCZ-UHFFFAOYSA-N 307.357 2.790 0 50 DFAA O=C(NCc1ccn(C2CCCC2)n1)c1cc(C(F)F)ncn1 934962305 DOSAXPPUBSPJPV-UHFFFAOYSA-N 321.331 2.656 0 50 DFAA CC(=O)N[C@H]1CCN(Cc2cc3ccc(F)cc3nc2Cl)C1 1875275281 OTFJXFYTZSBZKG-AWEZNQCLSA-N 321.783 2.738 0 50 DFAA Cc1nc(C2CCNCC2)sc1C(=O)N(C)c1cccnc1 876763281 FDAQOOZYCWUTNX-UHFFFAOYSA-N 316.430 2.590 0 50 DFAA C[C@@]1(NCc2ccc(-c3nn[nH]n3)cn2)CCCc2ccccc21 1875331070 NVUWUCVYCKFDIP-GOSISDBHSA-N 320.400 2.603 0 50 DFAA Cc1[nH]nc2c1C[C@H](NC(=O)c1cc3sccc3[nH]1)CC2 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2325788598 RBWNUKLPQMEBKQ-MRXNPFEDSA-N 321.428 2.859 0 50 DFAA Cc1cccnc1[C@H]1CCN(C(=O)CN2CCCCCC2)C1 2325814565 GHRLMHGDOFPIAK-INIZCTEOSA-N 301.434 2.582 0 50 DFAA COc1ccc2c(c1OC)C(=O)N(c1ccc3cn[nH]c3c1)C2 107229 MRVFMNWMRVFZBR-UHFFFAOYSA-N 309.325 2.741 0 50 DFAA CC(C)(C)O[C@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 399119 YCTNIMOEFJORHQ-KBPBESRZSA-N 321.373 2.666 0 50 DFAA CC(=O)Nc1ccc(NC(=O)CSc2ccccn2)cc1 459735 CIDMJLTVBUDTPN-UHFFFAOYSA-N 301.371 2.771 0 50 DFAA COc1cc(N2C(=O)CCC2=O)ccc1NC(=O)c1ccccc1 616487 XJULQDMUESJGEQ-UHFFFAOYSA-N 324.336 2.601 0 50 DFAA CC(=O)NC1CCC(N[C@H]2CCCN(C3CCCCC3)C2)CC1 132929034 UTSRHKHBDYUXQN-ABHNRTSZSA-N 321.509 2.820 0 50 DFAA Cc1cc(OCC(=O)OC(C)C)c2c3c(c(=O)oc2c1)CCC3 2101404 GFWJBOBNAWTOQM-UHFFFAOYSA-N 316.353 2.921 0 50 DFAA biogenic CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3cccnc3)C[C@H]2C1 2356166420 WWSHCWFCDBSMEQ-USTZCAOPSA-N 315.461 2.591 0 50 DFAA CCC(=O)Nc1ccc(-c2nn3c(CC)nnc3s2)cc1 4510473 UPUTWKJUXANPPM-UHFFFAOYSA-N 301.375 2.764 0 50 DFAA COc1ccc([C@H](C)CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 221717300 XQYNYKXMXBKODF-FHLIZLRMSA-N 305.418 2.679 0 50 DFAA COc1cccc(CCCNS(=O)(=O)c2ccc(C)cc2)c1 10543432 XGXAJNJRHIWWRM-UHFFFAOYSA-N 319.426 2.915 0 50 DFAA O=C1[C@@H]2C[C@H]2C(=O)N1CCOc1ccc(Oc2ccccc2)cc1 134809543 CVVAAFGDNULFEI-IAGOWNOFSA-N 323.348 2.863 0 50 DFAA O=C(c1ccoc1)N(Cc1nccs1)[C@H]1CC12CCNCC2 435564360 BWXQMCCVLOEEIH-ZDUSSCGKSA-N 317.414 2.521 0 50 DFAA CC(C)n1cccc1C(=O)N(C)C[C@H]1CCc2nccn2C1 328616795 CBANENZLDRFMEV-CQSZACIVSA-N 300.406 2.600 0 50 DFAA COC(=O)C1(CSc2nccn2Cc2ccccc2)CC1 253401007 MXEQYFWABCCKMV-UHFFFAOYSA-N 302.399 2.977 0 50 DFAA Cc1nnc(CC(=O)N2CC3(CCCC3)c3cccc(F)c32)o1 253433374 WDIYIUINXQFQSX-UHFFFAOYSA-N 315.348 2.918 0 50 DFAA CCCC1(O)CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 360307404 KHLCFZXOZXXZLF-KRWDZBQOSA-N 317.429 2.958 0 50 DFAA CC(C)(C)n1cnc(C(=O)NCC(F)(F)c2ccccc2)n1 360466332 GXYRDNVSSXASFM-UHFFFAOYSA-N 308.332 2.555 0 50 DFAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 72144836 JXAZCJFLVQQKIL-HNNXBMFYSA-N 323.396 2.882 0 50 DFAA CC(C)[C@H](CNC(=O)c1cc(Cl)cn1C)c1ccnn1C 242100025 WDTIZAWGXMLEEX-LBPRGKRZSA-N 308.813 2.582 0 50 DFAA Cc1sc(=O)n(CC(=O)N2CC3(CCCC3)[C@H]2C(C)C)c1C 457154583 AKEPFHHSMDMMER-OAHLLOKOSA-N 322.474 2.954 0 50 DFAA COc1ccc(OC)c(NC(=O)N[C@@H](C)c2cn(C)nc2C)c1 17054592 PXPHAQHPOIFTPL-JTQLQIEISA-N 318.377 2.628 0 50 DFAA Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@@H](C(=O)O)C1 178266098 OZADCIBXORAFBR-CQSZACIVSA-N 310.353 2.604 0 50 DFAA C[C@@H]1COc2ccccc2CN1C(=O)CC1CCN(C)CC1 291663446 KZMUHUSKAYKGEU-CQSZACIVSA-N 302.418 2.528 0 50 DFAA CC(C)(CO)CNC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1 426489723 WSXCEYGNWFCMHS-UHFFFAOYSA-N 323.396 2.978 0 50 DFAA OC[C@H]1CN(Cc2cc(F)cc3c2OCOC3)c2ccccc21 292595400 FOCKFHBIAQNRMM-CQSZACIVSA-N 315.344 2.788 0 50 DFAA COC(=O)c1cccc2c(I)c[nH]c12 144852688 QHKCXKOTFXOTCP-UHFFFAOYSA-N 301.083 2.559 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)o1 180157652 LFRBUOBUUCTHJE-SMDDNHRTSA-N 307.296 2.814 0 50 DFAA CCCCn1nc(C2CCCC2)nc1CN1CCC[C@@H](O)C1 96132278 ZTGGWVPOALWYMO-OAHLLOKOSA-N 306.454 2.693 0 50 DFAA CNc1ncc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cn1 97570836 UNPGBAPYXQHSSX-LBPRGKRZSA-N 310.401 2.888 0 50 DFAA C[C@@H]1CCc2sc(C(=O)N(C)CCc3cnn(C)c3)cc2C1 91665096 XQCIGPGUVVRMFA-GFCCVEGCSA-N 317.458 2.921 0 50 DFAA Cc1cccc(OCCN2CC[C@@]3(CCCN(C)C3=O)C2)c1C 91519075 PXEDHXKRFKDTBP-IBGZPJMESA-N 316.445 2.627 0 50 DFAA Cc1nc(N2CCc3[nH]nc(C(C)C)c3C2)c2cccnc2n1 95367637 NNILNAPLXRQKJE-UHFFFAOYSA-N 308.389 2.742 0 50 DFAA CC1(C)CN(C(=O)c2cccc(Cn3ccnc3)c2)CCS1 267672675 LQDFTGFDGPAFPQ-UHFFFAOYSA-N 315.442 2.899 0 50 DFAA O=C(Cc1cccc(O)c1)NC[C@@H]1CCN(C2CCCCC2)C1 252486826 HPCSCIGDTUHURO-INIZCTEOSA-N 316.445 2.706 0 50 DFAA O=C(CC1(n2cccc2)CCOCC1)N1CCc2ccccc2C1 263588429 UDDOEGPSJYTNFM-UHFFFAOYSA-N 324.424 2.969 0 50 DFAA COCCN1CCN(Cc2ccc(CC(C)C)cc2)CCC1=O 299780696 BEJCNNLINHAZMU-UHFFFAOYSA-N 318.461 2.566 0 50 DFAA C[C@@H]1CCc2c(sc3nc(Cc4cn[nH]c4)nc(O)c23)C1 585137073 GZBLGYNGHXNAKH-MRVPVSSYSA-N 300.387 2.836 0 50 DFAA COc1ccc(OCc2n[nH]c(CN3CCC[C@H](C)C3)n2)cc1 824684113 QEWGSJDGGNUTMG-ZDUSSCGKSA-N 316.405 2.624 0 50 DFAA OC[C@@H]1CCC[C@H](NC2CCN(c3ccccc3F)CC2)C1 670452754 KAZKYUVMNWGDAV-ZBFHGGJFSA-N 306.425 2.935 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)[C@H]3CCC[C@H](N)C3)C2)cc1 269229739 PYWLOWKBYDQLSP-XHSDSOJGSA-N 302.418 2.529 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)/C=C/c2ccnc3ccccc23)C1 165498241 OXHBAOUKEWFKMY-NPQIQWPPSA-N 310.353 2.571 0 50 DFAA Cc1nc(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)nc(O)c1C 408124680 RLPPHKLQSBRMNQ-GIPNMCIBSA-N 323.462 2.784 0 50 DFAA CC[C@@H](C)n1ncc(C(=O)N(C)c2ccn(C)n2)c1C1CC1 274809860 QPFHIKQYXATBPL-LLVKDONJSA-N 301.394 2.742 0 50 DFAA CN(C)c1[nH]c(=O)c2ccccc2c1C(=O)c1cccc(F)c1 170621315 SPLHOFHCDDPVMM-UHFFFAOYSA-N 310.328 2.964 0 50 DFAA COc1ncccc1C(=O)N1CCN(C2CC2)c2ccccc21 186770863 IXOWFDVJPGCXKY-UHFFFAOYSA-N 309.369 2.719 0 50 DFAA Cc1cn(C)nc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 723504631 HBCJISSLYNBLPZ-AWEZNQCLSA-N 322.453 2.608 0 50 DFAA CC1(C)CN(C(=O)[C@@H]2CNC[C@H]2C(F)(F)F)c2ccccc21 653097445 MXCRWZMJDLBLKZ-ZYHUDNBSSA-N 312.335 2.709 0 50 DFAA Cc1csc2ncnc(NCc3nc([C@H]4CCCO4)n[nH]3)c12 653474657 YNLCPJIHVWFPDS-SECBINFHSA-N 316.390 2.581 0 50 DFAA Cn1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)O)cn1 195503797 AQPOLEVSSNPPKP-BQYQJAHWSA-N 306.325 2.746 0 50 DFAA CC[C@H]1c2cccn2CCN1C(=O)c1ccc(N2CCC2)nc1 1615044199 AAQKLFMDDAKIHX-HNNXBMFYSA-N 310.401 2.700 0 50 DFAA CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCCO 1615590380 NOASYIXQJJHBQC-GJZGRUSLSA-N 314.470 2.630 0 50 DFAA CN(Cc1ccccc1)C1CCN(CCc2nccn2C)CC1 1506420677 AFQPDGADZKVUIA-UHFFFAOYSA-N 312.461 2.559 0 50 DFAA Cc1cccc(-c2noc(CNC3CSCCSC3)n2)c1 1506397509 SIQVWMMQQKBHIV-UHFFFAOYSA-N 321.471 2.983 0 50 DFAA Cc1nc(CC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cs1 1529169350 XKYMRZHWVPRAGG-SDSIWUNFSA-N 321.490 2.571 0 50 DFAA CCOC(=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O 358010623 YLQGIKBAIWOPTG-UHFFFAOYSA-N 313.140 2.716 0 50 DFAA COc1ccc(OCc2nn3c(CSC)nnc3s2)cc1 1775972143 ILLLVLRZRKRHQA-UHFFFAOYSA-N 322.415 2.636 0 50 DFAA CN(C)Cc1nnc(NCCc2cccc(C(F)(F)F)c2)o1 1772710467 RFHULTYNHFPCAF-UHFFFAOYSA-N 314.311 2.805 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OCC(C)C 5380647 NXHDCLSFNGUNBX-AWEZNQCLSA-N 306.406 2.811 0 50 DFAA O=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCCC1 12293740 XXQGTEIHULZIED-UHFFFAOYSA-N 320.348 2.723 0 50 DFAA COc1cccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 12381978 WFTZAHFPCOIGBP-HNNXBMFYSA-N 316.357 2.681 0 50 DFAA O=C(c1cccc(F)c1)N1CCN(CCc2ccccc2)CC1 16603782 UGXBPYMMHQBBJI-UHFFFAOYSA-N 312.388 2.826 0 50 DFAA CCOc1ccc(CN2CCN(Cc3ccccn3)CC2)cc1 19842288 OCBPZWIBIDDBDH-UHFFFAOYSA-N 311.429 2.798 0 50 DFAA OC[C@]12COCC[C@H]1CN(c1ccnc3cc(Cl)ccc13)C2 1857669535 LRDWKPMQFKMMLW-YVEFUNNKSA-N 318.804 2.723 0 50 DFAA COc1cc(N)cc2sc(NC(=O)c3ccc(N)cc3)nc12 192908 VGLHJDQXPIGQJP-UHFFFAOYSA-N 314.370 2.722 0 50 DFAA CNC(=O)c1cccc(CCC(=O)N2[C@@H](C)CCC2(C)C)c1 411085110 KCLVNSBRYYKWOW-ZDUSSCGKSA-N 302.418 2.768 0 50 DFAA CNc1ccccc1C(=O)N1CCOc2cc(OC)ccc2C1 412327053 AEJSYKHKGNGACJ-UHFFFAOYSA-N 312.369 2.772 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 630135379 MJEUTHWDYMCDDH-OKZBNKHCSA-N 321.376 2.929 0 50 DFAA NC[C@H]1CC[C@@H](NC(=O)N2CCc3cc(Cl)ccc3C2)C1 332115080 CPJJETMPCVGDON-XHDPSFHLSA-N 307.825 2.535 0 50 DFAA CCOc1ccc(CN2CCn3c(CC4CC4)nnc3C2)cc1 649707030 CMGODVRFPMRJFL-UHFFFAOYSA-N 312.417 2.645 0 50 DFAA CC(C)CC[C@H](Nc1cnn(CCN2CCOCC2)c1)C1CC1 338777469 GEWOYDRMFMDXDT-SFHVURJKSA-N 320.481 2.842 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(OCC2CC2)cc1 136480108 PZURUZYQIIDNJE-HNNXBMFYSA-N 303.358 2.555 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Cl)cc2F)C1 379177284 FRAMXBZYPKXOTD-GZMMTYOYSA-N 324.705 2.973 0 50 DFAA CCOCCCC(=O)NC1CCN(CC2=CCCCC2)CC1 1226246633 ZZPYELHUOCUBQX-UHFFFAOYSA-N 308.466 2.884 0 50 DFAA Cc1cccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)c1Cl 829382224 NCVXQWISXREMGP-MRVPVSSYSA-N 309.671 2.784 0 50 DFAA C=CC(=O)N1CCC(C(=O)NC2CC=CC2)(c2ccccc2)CC1 847569630 GGTVVAFGXJMEGE-UHFFFAOYSA-N 324.424 2.568 0 50 DFAA c1nc(NC[C@H]2CC3(CCOCC3)CO2)c2ccsc2n1 864355972 LTUSAQYMIDXIRB-LLVKDONJSA-N 305.403 2.689 0 50 DFAA CC(C)(C)OC(=O)NCCCC(=O)N=[S@](C)(=O)C(C)(C)C 952964753 WDVZWJUXYVRDPJ-OAQYLSRUSA-N 320.455 2.714 0 50 DFAA COC(=O)c1cc(-c2ccccc2)nn1C[C@H]1C[C@]12CCOC2 1875280882 DZQWPZWIRLRGOJ-KDOFPFPSSA-N 312.369 2.763 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@H](C[C@@H](C)C(=O)O)C2)on1 1875323987 XHGCTJQWEPMNNF-VXGBXAGGSA-N 308.378 2.761 0 50 DFAA C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccsc2[C@H]1C 882190020 ZHCQDVKFRAKIFC-GHMZBOCLSA-N 318.398 2.605 0 50 DFAA O=C(Nc1ccc([C@H]2CC2(F)F)cc1)N[C@@H]1C[C@@H]2COC[C@@H]21 2325782036 QADFFQLITDUKJT-YXCITZCRSA-N 308.328 2.966 0 50 DFAA C[C@@H](C(=O)NCc1coc2ccc(F)cc12)N1CCSCC1 2325786719 XRIQGEHHGQQPHH-NSHDSACASA-N 322.405 2.625 0 50 DFAA Cc1[nH]nc2c1CC[C@H](NCc1cccc(-c3cc[nH]n3)c1)C2 2325788509 LIJLLJDMCBALHI-HNNXBMFYSA-N 307.401 2.755 0 50 DFAA COc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1 243066 XETHJVRMRSTDSY-CQSZACIVSA-N 312.369 2.793 0 50 DFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CCOCC2)c1C 477270 RWRRZTHQNWQAEH-UHFFFAOYSA-N 311.447 2.622 0 50 DFAA COc1ccc(C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1 2522106 UQBGYYHTOVGYJV-UHFFFAOYSA-N 322.357 2.881 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)NC(=O)N1C 4070121 JDMMZVNJONLJLA-CQSZACIVSA-N 306.337 2.747 0 50 DFAA Cc1cc(C)c(NC(=O)CSc2nnc(N)s2)c(C)c1 4699694 ODKANVQWHWBRCG-UHFFFAOYSA-N 308.432 2.776 0 50 DFAA C[C@]1(C2CC2)NC(=O)N(CCSCc2ccccc2)C1=O 225554873 NQARMXRYAVIDFG-MRXNPFEDSA-N 304.415 2.640 0 50 DFAA C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCCc2n[nH]cc21 344850895 UVKMRSCGCHUAOS-MNOVXSKESA-N 317.414 2.669 0 50 DFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccccc1 10131700 RMEQAUDTLRXOHX-UHFFFAOYSA-N 305.337 2.549 0 50 DFAA Cc1cc(C)cc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1 10682013 WTMGPMNLZGFPPY-UHFFFAOYSA-N 324.380 2.976 0 50 DFAA Cc1cccnc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 20738822 UWHJYRRBSQDPKC-HOCLYGCPSA-N 309.369 2.548 0 50 DFAA Cc1ncc(CN[C@@H]2CCCN(CC3CCCCC3)C2)cn1 20205029 NWFPJCXPOLCWKV-GOSISDBHSA-N 302.466 2.919 0 50 DFAA C[C@](O)(CNc1ccnc2cc(Br)cnc12)C1CC1 311971796 PBEKDHCKDLHKOE-AWEZNQCLSA-N 322.206 2.965 0 50 DFAA Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)C3(N)CC3)C2)cc1 67446967 QRVLQHJMUISVFM-OAHLLOKOSA-N 324.428 2.582 0 50 DFAA CC(C)n1cc(NC(=O)c2ccccc2N2CCOCC2)cn1 66386941 WBHLOFPEKXMTLD-UHFFFAOYSA-N 314.389 2.553 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N3CCCC3)C2)C1 229844362 MPDHBZJJHBQJDG-RRFJBIMHSA-N 311.495 2.540 0 50 DFAA O=C(/C=C/c1cccc2cccnc12)N[C@@H]1CCN2CCCC[C@@H]12 229868246 NJCHASFWKXDGDF-UIVAWZFMSA-N 321.424 2.991 0 50 DFAA Cc1cc(O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)O 2385582 QSKQZXRPUXGSLR-ZDUSSCGKSA-N 309.362 2.529 0 50 DFAA biogenic CC(C)c1ncc(CN(C)C(=O)c2c(O)cccc2F)cn1 436522461 UUTWVONNUOGVLR-UHFFFAOYSA-N 303.337 2.717 0 50 DFAA CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cncnc1N(C)C 331027197 XDVDLDIVLSFMEZ-YDHLFZDLSA-N 320.437 2.855 0 50 DFAA COc1cc(C)c(NS(=O)(=O)c2ccc(C)o2)cc1OC 358555717 OINXOWWLZVURSY-UHFFFAOYSA-N 311.359 2.714 0 50 DFAA O=S(=O)(Nc1cnccn1)c1cc(Cl)cc(Cl)c1 125996218 CEMQRIWMGLEOGZ-UHFFFAOYSA-N 304.158 2.584 0 50 DFAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cnc(-c2ccccn2)nc1 77505388 JCJFAYABDHNXRJ-QEJZJMRPSA-N 308.385 2.847 0 50 DFAA c1ccc(Cn2cc(CN3CCC[C@@H](N4CCCC4)C3)cn2)cc1 130523509 LWVRMGKWIUODIG-HXUWFJFHSA-N 324.472 2.992 0 50 DFAA CSc1ncccc1C(=O)N(C)Cc1cc(C2CC2)[nH]n1 219556761 IXRBMAWKDVECIH-UHFFFAOYSA-N 302.403 2.676 0 50 DFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(N(C)C)c1 72478394 HLKQKAXOXMWAEQ-INIZCTEOSA-N 318.417 2.701 0 50 DFAA O=C(O)C1CCC(C(=O)NCCc2cccc(F)c2F)CC1 262712674 MBZSTWGUOCGNNP-UHFFFAOYSA-N 311.328 2.515 0 50 DFAA N[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)C1 237886241 DLKMNOFFWIZBIT-GHMZBOCLSA-N 302.403 2.661 0 50 DFAA CC[C@](CNC(=O)[C@@H]1Cc2ccccc21)(C(=O)O)c1ccccc1 262985493 LHROAGQLVWCIOV-YLJYHZDGSA-N 323.392 2.875 0 50 DFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1CC1=CCCOC1 377911608 LVHWATWUXHDCOS-ZDUSSCGKSA-N 302.422 2.659 0 50 DFAA Cc1nccn1C[C@H]1CCCN1c1noc(-c2ccccc2)n1 225596331 USNHZGGREUDRTL-OAHLLOKOSA-N 309.373 2.911 0 50 DFAA Cc1csc(N2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)n1 284985884 BZDNAKPVSGMMNU-UHFFFAOYSA-N 318.446 2.865 0 50 DFAA COc1cc(NC2CCC(C(=O)O)CC2)cc(-n2cccn2)c1 263391035 FDUKUAFIMOPXIH-UHFFFAOYSA-N 315.373 2.936 0 50 DFAA CC[C@H](C)C(=O)Nc1ccc(I)c(C)n1 176098741 LLYVNUYXIOHCSD-ZETCQYMHSA-N 318.158 2.979 0 50 DFAA Cc1ccsc1CN(C)C(=O)NCCSc1nccn1C 426489483 CTRSAPQQOJKWHT-UHFFFAOYSA-N 324.475 2.724 0 50 DFAA Cc1cn2cc(C(=O)NCCCN(C)c3ccccc3)ccc2n1 82121820 YIHLNBCFYZDCLF-UHFFFAOYSA-N 322.412 2.899 0 50 DFAA O=C(NCCCCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225742211 FGHCKURSFXJJHL-LUKYLMHMSA-N 315.413 2.872 0 50 DFAA CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)[C@@H]1CCNC1 179052148 VWFDGMAGHZXJFN-YUSALJHKSA-N 313.228 2.917 0 50 DFAA COCCc1nc(CCSC)n(Cc2ccccc2C)n1 95530423 YXACZRKVKKYARE-UHFFFAOYSA-N 305.447 2.729 0 50 DFAA NCCCOC1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 162153336 QRNWHXWDZLJOKA-IAGOWNOFSA-N 308.466 2.559 0 50 DFAA Cc1cccnc1N1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 95356743 AFOHBQQBVBLENP-GOSISDBHSA-N 321.424 2.769 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N(C)C)c(C)c1Br 230515978 PKXTVWOQRREDBL-UHFFFAOYSA-N 306.225 2.625 0 50 DFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H]1c1ccccn1 91594641 UDOKDKGQQKHNPB-QGZVFWFLSA-N 319.364 2.900 0 50 DFAA Cc1csc([C@H](C)CNC(=O)N[C@H](CO)c2ccccc2)n1 183897572 ZXKYZOMYIAFKKJ-BXUZGUMPSA-N 319.430 2.588 0 50 DFAA Cc1cccc2c(CCNC(=O)CCc3cnccn3)c[nH]c12 280273501 VXTHACFLKGHTMV-UHFFFAOYSA-N 308.385 2.558 0 50 DFAA CC(C)c1cc(CN(C)[C@@H](C)C(=O)Nc2nccs2)no1 299755845 DLXRPZGJDOEQKQ-JTQLQIEISA-N 308.407 2.714 0 50 DFAA COc1cccc(C)c1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 824792699 TVAAIXYEQVHNCB-NSHDSACASA-N 301.390 2.845 0 50 DFAA CCCN(CC(=O)N(C)c1ccccc1)[C@H]1CCCC[C@@H]1O 1565507141 BPWXZFRVUKTZCW-IRXDYDNUSA-N 304.434 2.665 0 50 DFAA CCOc1ccccc1CNCC[C@H]1COCCC1(OC)OC 1474271433 PHOAJJHRJOACQF-INIZCTEOSA-N 323.433 2.591 0 50 DFAA CCc1noc(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 408261532 QEZBZCOCIPBCGI-NWANDNLSSA-N 306.406 2.701 0 50 DFAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2ccccc2C)CC1 408502215 SBUBGMZRFDFAIM-AWEZNQCLSA-N 307.415 2.936 0 50 DFAA Cn1nccc1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 185410468 DRFCGHTYXNWMFP-ZDUSSCGKSA-N 302.353 2.656 0 50 DFAA Cc1ccn2ncc(C(=O)N[C@H]3CCCc4c(O)cccc43)c2n1 170611456 ZSCRMWBKDPBPMQ-HNNXBMFYSA-N 322.368 2.551 0 50 DFAA CC(=O)N[C@@H]1CCN(Cc2ccc(CC(F)(F)F)cc2)C1 639272187 GIRMMUFDPUJCRZ-CQSZACIVSA-N 300.324 2.502 0 50 DFAA Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2ccon2)cc1 189905009 XZUDLXBSAOQMNA-AWEZNQCLSA-N 313.357 2.675 0 50 DFAA CC(C)n1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cn1 189998495 YPDPFPKPYYBWIC-UHFFFAOYSA-N 316.336 2.740 0 50 DFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C2CC=CC2)C1 190540222 LXRYZVQRSWVDQJ-AWEZNQCLSA-N 319.474 2.698 0 50 DFAA O=S(=O)(NCc1ccoc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 585115523 FEMVREOCAQUUFS-GHMZBOCLSA-N 311.325 2.820 0 50 DFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@@H]1CC12CCNCC2 1506423564 XZIBSGLGKTWMCH-HNNXBMFYSA-N 324.428 2.724 0 50 DFAA CCNC(=O)c1ccc(NCCCn2ncc3ccccc32)nc1 1529186870 LQANRWYMQRHFEO-UHFFFAOYSA-N 323.400 2.683 0 50 DFAA CC(=O)c1cnc(N2CCC[C@@](CO)(CC(C)C)C2)nc1C 1704304487 FKUOTPJDNWOPPH-QGZVFWFLSA-N 305.422 2.613 0 50 DFAA Cc1ccc(OC2CN(C[C@@H]3CCC(=O)N(C(C)C)C3)C2)cc1 1775981221 QUNSBTRXFKAKJQ-INIZCTEOSA-N 316.445 2.705 0 50 DFAA O=C(CCc1ccco1)N[C@H]1CC(=O)N(C2CCCCCC2)C1 12432889 FKKBPIBELMUNGI-AWEZNQCLSA-N 318.417 2.652 0 50 DFAA CC(=O)[C@H](O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 13829475 BPZSPAZBZFZZBN-WBVHZDCISA-N 324.332 2.580 0 50 DFAA in-vitro CCc1ccccc1NC(=O)c1nnn(-c2ccccc2C)c1N 16652448 WJBQGSRIMWMBQB-UHFFFAOYSA-N 321.384 2.973 0 50 DFAA O=C(Cc1c(O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1 18142960 RAUPQAQXMISRFW-UHFFFAOYSA-N 312.300 2.554 0 50 DFAA CCOC(=O)NC(N[C@@H](C)CC)(C(F)(F)F)C(F)(F)F 19340333 WJZOXONKGPTCRH-LURJTMIESA-N 310.238 2.942 0 50 DFAA COc1ccccc1OCCN(C)c1nc(C)nc2cc[nH]c12 1857682884 PUVJKRSIJLCZGE-UHFFFAOYSA-N 312.373 2.790 0 50 DFAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]2C1 4894494 UPYLROKHLZJDBD-DVVUODLYSA-N 321.760 2.964 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC1CCSCC1 220962063 HQGABNDIDLOSIG-RDBSUJKOSA-N 311.447 2.764 0 50 DFAA Nc1c(C(=O)Nc2ccccc2)nnn1-c1cccc(Cl)c1 11692960 YRNMHRWRPMPUFL-UHFFFAOYSA-N 313.748 2.755 0 50 DFAA Cc1ccc([C@@H](CNC(=O)c2cc(Cl)cn2C)C(=O)O)cc1 345867470 PCIUUDLOFHXWGF-CYBMUJFWSA-N 320.776 2.585 0 50 DFAA CC(=O)N1CC[C@@](C)(c2nc(-c3cc4ccccc4o3)no2)C1 350953940 KNCSVZIGQJKBRA-QGZVFWFLSA-N 311.341 2.993 0 50 DFAA CCCCN1CCCC[C@H]1C(=O)NC[C@H](c1ccco1)N(C)C 253404898 FVGNCZBRCWPFBA-JKSUJKDBSA-N 321.465 2.653 0 50 DFAA COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(O)nc1 390833982 PWZDDHVNHYAVAI-AWEZNQCLSA-N 320.776 2.900 0 50 DFAA Cc1ncc2n1CC[C@@H](C(=O)Nc1cnn(C3CCCC3)c1)C2 928792664 JQMDTOVWIBTTQW-CYBMUJFWSA-N 313.405 2.704 0 50 DFAA O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccnn1C1CCC1 829657974 SFSAIRREORFUKS-CQSZACIVSA-N 303.406 2.687 0 50 DFAA O=C(N=c1cc[nH]cc1F)N1CCO[C@H](c2ccccc2)CC1 1263641392 PATPIJZUFOLUDG-INIZCTEOSA-N 315.348 2.638 0 50 DFAA COC(=O)/C(=C\c1c(C2CC2)cnn1C)c1ccc2cc[nH]c2n1 864087706 VNESWMSJKSUOGC-LCYFTJDESA-N 322.368 2.887 0 50 DFAA CN1CC[C@H](NC2CCN(c3nccs3)CC2)C12CCCC2 952882389 QLQDSSKDSKNRBG-HNNXBMFYSA-N 320.506 2.718 0 50 DFAA CCc1ccnc(C(=O)N2CC[S@@](=N)(=O)c3ccccc32)c1 952995540 PLDBAUJAJIUYLO-JOCHJYFZSA-N 315.398 2.710 0 50 DFAA Cc1cc2n[nH]cc2cc1NC(=O)[C@H]1CCN(CC(C)C)C1 1875262673 XXMWELCGLSLULQ-ZDUSSCGKSA-N 300.406 2.788 0 50 DFAA O=C(c1cccc2c1CNCC2)N1CC[C@H](c2ccccc2)C1 1875268338 QNQNHJLNPPIOPH-KRWDZBQOSA-N 306.409 2.962 0 50 DFAA CN(Cc1ccncc1)C(=O)[C@H](N)c1cccc(C(F)(F)F)c1 876786637 JVBMCPFLDWNUEH-CQSZACIVSA-N 323.318 2.759 0 50 DFAA CC1(C)C[C@](C(=O)O)(n2cc(-c3ccccc3)cn2)CCO1 1776006989 FZKUDKBELZYCEC-QGZVFWFLSA-N 300.358 2.919 0 50 DFAA CCc1onc(C)c1CS(=O)(=O)c1ncc(Cl)s1 899503069 DWYYKVAQMQNEFA-UHFFFAOYSA-N 306.796 2.629 0 50 DFAA Cc1nc(C2CCN(CCOCc3ccccc3)CC2)n[nH]1 670450804 VNHPWVNYAQPJEW-UHFFFAOYSA-N 300.406 2.509 0 50 DFAA O=C(NC[C@@H]1Cc2ccccc21)c1n[nH]cc1-c1ccncc1 2325850150 NLMCQRGPDMXUAY-AWEZNQCLSA-N 304.353 2.541 0 50 DFAA CN(C)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 35926 OLWLCCDVNLAPFR-UHFFFAOYSA-N 304.371 2.784 0 50 DFAA O=C1CCC(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 110489 NDSAJCWPDOCOLO-UHFFFAOYSA-N 320.304 2.508 0 50 DFAA Cc1cccc(NC(=S)NC(=O)C[C@H]2CC(C)(C)OC2=O)c1 376791 OWDHSBIMZJZYGA-NSHDSACASA-N 320.414 2.540 0 50 DFAA CCOc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1C 384651 TWLIRUALJRRUOZ-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C 441636 SAHSVHUUNSYLFQ-UHFFFAOYSA-N 313.375 2.614 0 50 DFAA Cc1cccc(NC(=N)Nc2nc(C(F)(F)F)cc(=O)[nH]2)c1 448902 YMTYQSFCQPLALF-UHFFFAOYSA-N 311.267 2.556 0 50 DFAA CCOC(=O)[C@H](C(C)=O)[C@@H](CC(C)=O)c1ccc(OC)cc1 1681241 RXJJDNNJRDDOLP-JKSUJKDBSA-N 306.358 2.526 0 50 DFAA CC[C@H](NC(=O)c1ccc(O)nc1C(C)C)c1ccnn1C 2356139935 MYOSKLIUUPQGRP-LBPRGKRZSA-N 302.378 2.525 0 50 DFAA Cc1cc(C)nc(SCC(=O)Nc2ccccc2C(=O)O)n1 4652981 FAGPRLMJLFJXGK-UHFFFAOYSA-N 317.370 2.522 0 50 DFAA CC(C)COC(=O)CCCCSc1ncnc2nc[nH]c12 6693270 ICNHPXOWAIUXSW-UHFFFAOYSA-N 308.407 2.815 0 50 DFAA C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 6703982 XKIZHZXOPAMFAN-CYBMUJFWSA-N 323.348 2.977 0 50 DFAA COCCOc1ccc(C(=O)Nc2ccccc2OC)cc1 8723081 QLUSOVQXFVCWCN-UHFFFAOYSA-N 301.342 2.973 0 50 DFAA O=C(O)CNc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 55369542 ADKNJWOFIBHPMV-KRWDZBQOSA-N 324.380 2.991 0 50 DFAA COCCN(C[C@H]1CCCO1)c1nc(C)nc2sccc12 55357757 ATKRKNHWKGDEIO-GFCCVEGCSA-N 307.419 2.632 0 50 DFAA C[C@H](CCC(=O)N[C@H]1CCCC[C@H]1C(N)=O)c1ccccc1 246369469 YIVFBEGFBRSOLZ-BMFZPTHFSA-N 302.418 2.731 0 50 DFAA O=C(NCc1ccccc1F)c1ccc(N2CCOCC2)cc1 63897705 LWVWHFHCYJMVHP-UHFFFAOYSA-N 314.360 2.592 0 50 DFAA CC(=O)NCCCc1nc(C)nn1-c1ccc(Cl)cc1C 67816992 ANGBGUITURKRHB-UHFFFAOYSA-N 306.797 2.606 0 50 DFAA Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)c1 67817086 GFZAJVPKUNTLJK-CYBMUJFWSA-N 320.820 2.779 0 50 DFAA C[C@H](Nc1ncnc2[nH]cnc12)c1cnn(-c2ccccc2)c1 32558424 HJVGQUGYGJLGBR-NSHDSACASA-N 305.345 2.712 0 50 DFAA OCCNCCCCCOc1ccccc1Br 5679886 BASPPNRAQVNSMH-UHFFFAOYSA-N 302.212 2.580 0 50 DFAA Cn1cncc1CN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 253630303 YZNBZCUJDUSXBU-OAHLLOKOSA-N 322.416 2.585 0 50 DFAA Cc1cc([C@@H]2CCCN([C@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 257366429 YGOYYHGAGZYQIK-QAPCUYQASA-N 324.428 2.703 0 50 DFAA COCc1ncsc1C(=O)Nc1cccc(-c2cn[nH]c2)c1 375039513 RUKWCWQKLPTXEF-UHFFFAOYSA-N 314.370 2.932 0 50 DFAA CCn1c(NC(=O)[C@](C)(O)C2CCC2)nc2cc(C)ccc21 362981824 YSYRVLRHDZWVAS-QGZVFWFLSA-N 301.390 2.854 0 50 DFAA Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)co1 331670002 UTUQTEKLTCVTSS-IUODEOHRSA-N 307.296 2.814 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1(O)CCCCC1 332344643 MERNTEVKHCWNLB-INIZCTEOSA-N 303.402 2.884 0 50 DFAA Cc1ccc(N2CCN(C(=O)[C@H]3CCCOCC3)CC2)cc1C 369328329 ATNQVVVGQUOEFZ-KRWDZBQOSA-N 316.445 2.769 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)o1 262851341 HVDSJJQBOXFPIL-GJZGRUSLSA-N 313.353 2.837 0 50 DFAA Cc1cccc([C@H](NC(=O)CCc2ccc(O)cc2)C(=O)O)c1 219069679 GFHAOQZWHOIHLA-KRWDZBQOSA-N 313.353 2.575 0 50 DFAA CN(C)c1cc(C(=O)NC2(C)CCOCC2)nc2ccccc12 283264016 DJDIKGPOIMXVIQ-UHFFFAOYSA-N 313.401 2.600 0 50 DFAA CC[C@](CNC(=O)c1scnc1C)(C(=O)O)c1ccccc1 262979320 KRNDEVOXSRNYMR-MRXNPFEDSA-N 318.398 2.614 0 50 DFAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccnc2ccccc12 284526852 JLQMHEBUEZBVII-LZQZEXGQSA-N 312.413 2.991 0 50 DFAA COc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)Nc2ccccc21 19933245 KDYLACMOAFRTNE-IBGZPJMESA-N 319.364 2.518 0 50 DFAA O=C(NCCC1=CCCCC1)N1CCC[C@H]1Cn1cccn1 426387197 CAZQCWFZWYDUOP-INIZCTEOSA-N 302.422 2.948 0 50 DFAA Cn1cnc(-c2ccc(C(=O)N3CCC[C@H](C4CC4)C3)cc2)n1 290620857 KYGQLVKZMFOTSL-INIZCTEOSA-N 310.401 2.744 0 50 DFAA CCCN(Cc1nccn1C)C(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 426739965 XBIQESWKRXWYCX-OWCLPIDISA-N 316.449 2.944 0 50 DFAA C[C@H]1CN(C(=O)c2ccnc(NC(=O)C3CC3)c2)CCC1(F)F 290994520 SSZBFJAVTOJBCI-JTQLQIEISA-N 323.343 2.547 0 50 DFAA CCCc1nnc(N2CCN(c3ccccc3OCC)CC2)o1 95391737 QOMLDWIXSZXOIJ-UHFFFAOYSA-N 316.405 2.747 0 50 DFAA O=C1[C@H]2CC[C@H](CN(c3ncccc3Cl)C2)N1CC1CCC1 91663588 IKTNFFBSBNGBNG-UONOGXRCSA-N 319.836 2.962 0 50 DFAA CC(C)C(=O)NCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 96179879 URDAFGMJOGUTLB-AWEZNQCLSA-N 315.373 2.513 0 50 DFAA Cc1cnccc1NCCNC(=O)c1c[nH]nc1-c1ccccc1 91452072 VWMRZNDSABKEQD-UHFFFAOYSA-N 321.384 2.622 0 50 DFAA CN(Cc1cnc2ccccn12)C(=O)[C@@H]1COc2ccccc2C1 95497283 OSMCNKWLXHPGLZ-HNNXBMFYSA-N 321.380 2.544 0 50 DFAA CC(=O)c1cc(CC(=O)N[C@@H](C)c2c(C)nn(C)c2C)cs1 299802700 NOJCAVXRTZXEQD-VIFPVBQESA-N 319.430 2.721 0 50 DFAA CCc1nc(CNC(=O)Cc2ccc3nc(C)[nH]c3c2)cs1 670458612 KRYGBIKRKIWYSG-UHFFFAOYSA-N 314.414 2.749 0 50 DFAA Cn1nc(NC(=O)Cn2cnc3ccccc32)c2ccccc21 48345566 DRKUUWWSYWNSIC-UHFFFAOYSA-N 305.341 2.562 0 50 DFAA Cc1ccc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)c(C)n1 185301609 QBJSWBFGHGPCPD-INIZCTEOSA-N 315.398 2.727 0 50 DFAA CSCCCN1C(=O)CC[C@@H]2CN(C3CCCC3)CC[C@@H]21 1565516745 NSBRYABSAPXAMZ-ZBFHGGJFSA-N 310.507 2.995 0 50 DFAA CN1CC[C@H]2CN(C(=O)c3cccc4c5c([nH]c34)CCCC5)C[C@H]21 77504792 CVMSARLQQXEWKN-SCLBCKFNSA-N 323.440 2.823 0 50 DFAA O=C(O)[C@H](Cc1ccccc1)NCc1c[nH]c(-c2ccccc2)n1 170090740 MUIHTUFGVSJDFO-KRWDZBQOSA-N 321.380 2.862 0 50 DFAA Cc1ccc([C@@H]2CCCN2C(=O)C[C@H]2CSCCN2)cc1 170050117 PZLJLOPFHYYPMM-HOTGVXAUSA-N 304.459 2.754 0 50 DFAA Cc1nn(C)c(C)c1C[C@@H](C)c1nc(-c2ncoc2C)no1 278225188 YALUTCBPECUFAD-MRVPVSSYSA-N 301.350 2.730 0 50 DFAA CCOc1ccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cn1 190270979 XXXFKNZQNZFDTF-OAHLLOKOSA-N 319.405 2.903 0 50 DFAA C[C@H]1C[C@@H](NC(=O)c2ccoc2Cl)C(=O)N1c1ccccc1 192322064 ODQHBPPUUCSCOJ-GXFFZTMASA-N 318.760 2.857 0 50 DFAA CC1(O)CCN(C[C@H](C(=O)OC(C)(C)C)c2ccccc2)CC1 585133279 DCBJJKSIOFJCJX-INIZCTEOSA-N 319.445 2.959 0 50 DFAA CCC[C@@]1(COC)CCCN1C(=O)Nc1cccc(N(C)C)n1 194828890 UOLGNNYUSKHUIU-KRWDZBQOSA-N 320.437 2.961 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2CCCOc3ccccc32)on1 195478339 VKYGTTVCTRRLNU-CQSZACIVSA-N 301.346 2.696 0 50 DFAA COc1ccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)cc1 5021020 GISCSWAPXNHVAC-WEVVVXLNSA-N 311.337 2.754 0 50 DFAA O=C(NCc1[nH]nc2ncccc12)c1cc(-c2ccccc2)no1 1772819314 INXJAZUMASIKBM-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA Cc1nc(CCNc2ncnc3cc[nH]c23)nc2c1CCCC2 1772808762 ZZCXRKMIAHBGFS-UHFFFAOYSA-N 308.389 2.590 0 50 DFAA COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1 5120250 SEOHEMTUYUYOEC-NSHDSACASA-N 309.362 2.874 0 50 DFAA Brc1n[nH]c2ccc(I)cc12 14983585 WAQOXWKMCDTDEP-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA CCn1ccnc1CN1CCC(CO)(Cc2ccccc2)CC1 11663599 UYFLOGPIRRRTMV-UHFFFAOYSA-N 313.445 2.720 0 50 DFAA CCCCN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 11843519 LDRAVTMFHSDWSB-UHFFFAOYSA-N 306.797 2.852 0 50 DFAA CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(C)=O 12431074 ITFFBBYLGLPWSV-QGZVFWFLSA-N 306.425 2.949 0 50 DFAA Cc1cc(C(=O)Nc2nc(C)c(C)s2)c2c(C)nn(C)c2n1 14900098 SPDZWHZKKJZMMU-UHFFFAOYSA-N 315.402 2.911 0 50 DFAA CN(C[C@H]1CCCCN1C)C(=O)c1cccc(OC(F)F)c1 19143701 CQTIMEWBRHGJDC-CYBMUJFWSA-N 312.360 2.844 0 50 DFAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)CCCC(C)C)o1 1857528888 UCVALIWAZATRIJ-GUYCJALGSA-N 321.421 2.880 0 50 DFAA CCCN1CCC[C@H](n2ccnc2-c2nc(C)c(C)n2C)C1 1857696897 PTHFUEUQPZKUSA-HNNXBMFYSA-N 301.438 2.947 0 50 DFAA CC(C)c1nc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cs1 253423097 KUSSVSQOLCARRW-CHWSQXEVSA-N 307.463 2.965 0 50 DFAA O=S(=O)(CC1CCCCC1)N1CCO[C@@H]2CCCC[C@H]21 230117991 HLMSTLGBFFCQIA-HUUCEWRRSA-N 301.452 2.540 0 50 DFAA Cc1cncc(CCC(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 366442781 RSBFHUDXBJUHMQ-HXUWFJFHSA-N 322.408 2.981 0 50 DFAA CC(C)c1ccoc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 262871842 BKLUFYUODNXUBY-CYBMUJFWSA-N 319.279 2.882 0 50 DFAA O=C(NCc1cn2c(n1)CCCC2)c1ccc(C(F)(F)F)nc1 263762650 IPELSXBFBOAKAN-UHFFFAOYSA-N 324.306 2.563 0 50 DFAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2coc(C(C)(C)C)n2)n1 930421040 NBBKZKYFKMDCNF-MFKMUULPSA-N 320.393 2.626 0 50 DFAA C[C@H](C1CC1)n1cc(NC(=O)N(C)Cc2cccc(O)n2)cn1 930975267 GZLFBOMJBZVTSS-LLVKDONJSA-N 315.377 2.619 0 50 DFAA CCn1cnc2c(N3CCC[C@H](OC4CCC4)CC3)ncnc21 866147612 JFFSYFOFJFAVMH-AWEZNQCLSA-N 315.421 2.774 0 50 DFAA Cc1n[nH]c2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ncc12 1875316650 FKCGDJUQKFIKES-AWEZNQCLSA-N 306.369 2.896 0 50 DFAA CC(C)c1cccc(CNC(=O)[C@]2(F)CNC[C@@H]2C2CC2)c1 1875353942 LMAWJUAAPOKYGA-AEFFLSMTSA-N 304.409 2.764 0 50 DFAA Cc1cnc(N=c2[nH][nH]c(C)c2-c2ccccc2)nc1N(C)C 2100480964 ZDLPVRPATAAOGN-UHFFFAOYSA-N 308.389 2.715 0 50 DFAA CC1([C@H](N)C(=O)Nc2c[nH]c3cc(Br)ccc23)CC1 2325778709 KSIPZOOQFVVVIA-GFCCVEGCSA-N 322.206 2.996 0 50 DFAA C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)[C@H]1CNCC12CCCC2 2325778731 MLJFVKJHARNDOJ-GRYCIOLGSA-N 304.356 2.566 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3cnnn3C(C)C)cc2)c1C 2325797251 LRHYJQFFJJAUNC-UHFFFAOYSA-N 324.388 2.914 0 50 DFAA CC(C)N(C)c1cccc(NC(=O)NC[C@H]2CCC[C@H]2O)c1 245338766 OLBYOGSXSLGJGB-CZUORRHYSA-N 305.422 2.814 0 50 DFAA Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 84038 UIJGRMUULCXBFO-LBPRGKRZSA-N 313.332 2.521 0 50 DFAA Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)o1 285857 UPSDLOXUVBWLJL-UHFFFAOYSA-N 302.355 2.957 0 50 DFAA CCOc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 384581 KDQLUUFPYGNZCR-UHFFFAOYSA-N 303.811 2.913 0 50 DFAA CCn1c(C)[n+](CC)c2cc(S(=O)(=O)C(F)(F)F)ccc21 48056 SPCZLBSWEQQCDW-UHFFFAOYSA-N 321.344 2.571 0 50 DFAA CCC(C)(C)NS(=O)(=O)c1ccc(Br)cc1 2771518 IHZZRTINSZBXEN-UHFFFAOYSA-N 306.225 2.916 0 50 DFAA CC1=CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)OCC1 2356161258 MWWXTAVCDAAJLM-UHFFFAOYSA-N 319.376 2.932 0 50 DFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2nccs2)CC1=O 4385119 ZZOVQFLAYXWPGP-DGCLKSJQSA-N 315.398 2.691 0 50 DFAA CCOc1cccc(C(=O)Nc2ccc(OCC(=O)O)cc2)c1 4868600 QGJHYIJJGXNCKA-UHFFFAOYSA-N 315.325 2.801 0 50 DFAA O=C(CN1CCC(Cc2ccccc2)CC1)NC1CCCC1 6742472 LICPUPZYAVXYLC-UHFFFAOYSA-N 300.446 3.000 0 50 DFAA Cc1cc(C)cc(N2C[C@@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c1 9197780 VCXBUVNCANAGGC-CJNGLKHVSA-N 314.429 2.915 0 50 DFAA O=C(NC1CCCCC1)N1CCN(C2CCSCC2)CC1 57530788 HMPDVSRWNVIEKE-UHFFFAOYSA-N 311.495 2.542 0 50 DFAA Cc1cc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)on1 21719684 RLDAVXUBHHMDOP-AWEZNQCLSA-N 306.387 2.650 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CCCO1 173373448 KLMIGLZFWAHTSW-OAHLLOKOSA-N 302.418 2.928 0 50 DFAA CCc1noc(CN(CC)C(=O)c2csc(C(C)C)n2)n1 20541472 MTUCQQUSRPJURV-UHFFFAOYSA-N 308.407 2.874 0 50 DFAA COc1cccc(C=O)c1OCCCCN1C[C@@H](C)O[C@H](C)C1 20639300 DBSGTOAWDDXOKI-HUUCEWRRSA-N 321.417 2.776 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1CC[C@@H](c2nc(C3CC3)no2)C1 347429058 DHTFSKZKWWOLQA-GFCCVEGCSA-N 312.373 2.782 0 50 DFAA O=C(c1cnco1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65373473 DJUSGQRMVYODIB-DLBZAZTESA-N 322.364 2.818 0 50 DFAA Cc1cccc2c1O[C@H](c1nc(-c3cnc(N(C)C)cn3)no1)C2 351122343 XLHZOAHJUPGRJY-ZDUSSCGKSA-N 323.356 2.577 0 50 DFAA COC[C@H](NC(=O)c1c(C)c(C)cc(C)c1C)c1ccnn1C 63847454 UVZNANLBJBDHLO-HNNXBMFYSA-N 315.417 2.771 0 50 DFAA CCCn1c(SCC(=O)NCc2ccco2)nnc1C1CC1 6400167 VLAZCMWWOPDZKS-UHFFFAOYSA-N 320.418 2.567 0 50 DFAA COc1cc(C)nc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 253397427 UNESVXKAHKCRRJ-AEFFLSMTSA-N 316.376 2.846 0 50 DFAA CCn1ccnc1CN(C)c1ccc(-c2nc(C3CC3)no2)cn1 72422578 XHHYYWSNOLVKPM-UHFFFAOYSA-N 324.388 2.862 0 50 DFAA C[C@H](c1ccccc1)[C@H](NCc1ccc(F)c(F)c1)C(N)=O 428841428 CLZLSZKJOXAKOG-BZNIZROVSA-N 304.340 2.712 0 50 DFAA CC(=O)[C@@](C)(O)CN1CCC(c2nc3ccccc3s2)CC1 253426841 BEGHTAXRFNJUAO-KRWDZBQOSA-N 318.442 2.816 0 50 DFAA CC(C)n1ccc(NC(=O)N2CCO[C@H](C3CCCCC3)C2)n1 328587569 BSMLJZFWVJRSNM-HNNXBMFYSA-N 320.437 3.277 0 50 DFAA Cc1cc(C)n([C@@H]2CCCN(c3nccn4nc(C)cc34)C2)n1 364351837 GQPOEJDIYWILJS-OAHLLOKOSA-N 310.405 2.693 0 50 DFAA O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)[C@@H]1CCCO1 71283617 AYDKTTRBTDJXEA-HNNXBMFYSA-N 308.341 2.742 0 50 DFAA CC(C)n1ncc2cc(CN3CCC[C@@H](C)[C@H]3CO)cnc21 332579439 HSNAHJAIEJCQLX-CZUORRHYSA-N 302.422 2.605 0 50 DFAA CCn1nc(C)c(CCn2ccnc2-c2ccc(CO)o2)c1C 72431355 FFUNVGUMVCGIPL-UHFFFAOYSA-N 314.389 2.711 0 50 DFAA Cc1ccc2c(CCNS(=O)(=O)CC3CCC3)cn(C)c2c1 333345463 QFCNHTMQZPLMGT-UHFFFAOYSA-N 320.458 2.749 0 50 DFAA CN(Cc1ccc(CCC(C)(C)O)cc1)C[C@@H]1CCCN1C 72429469 BTKTZTBVZSRORF-SFHVURJKSA-N 304.478 2.916 0 50 DFAA CC[C@](CNC(=O)[C@H]1Cc2ccccc21)(C(=O)O)c1ccccc1 262985487 LHROAGQLVWCIOV-FXAWDEMLSA-N 323.392 2.875 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cnc(-c3cccs3)s2)C1 237661764 KBORBQGLEOYWGC-CQSZACIVSA-N 322.411 2.808 0 50 DFAA Nc1ccnc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 282375239 FNWHGAFDKROXLK-SNVBAGLBSA-N 300.328 2.613 0 50 DFAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCN2CCCC[C@H]2C1 241171097 KECVSVBKKUZHJP-YESZJQIVSA-N 302.393 2.626 0 50 DFAA CN(CC1(O)CCCC1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 131503699 OHVLBAJOQVNWCJ-OAHLLOKOSA-N 324.465 2.815 0 50 DFAA Nc1nccnc1C(=O)N1CCc2cc(-c3ccccc3)oc2C1 177130659 XDZQFMXGXUBSOS-UHFFFAOYSA-N 320.352 2.517 0 50 DFAA Cc1ccccc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 244390444 YFGCPDVKQUSRLU-UHFFFAOYSA-N 322.474 2.634 0 50 DFAA COc1ccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)cc1 40266531 WWJQYBGVGZGZSS-UHFFFAOYSA-N 300.358 2.534 0 50 DFAA C1CN(c2nnc(C3CC3)o2)CCC1Cc1noc(C2CC2)n1 95362883 IEZWWFRCWNETPX-UHFFFAOYSA-N 315.377 2.667 0 50 DFAA CN(Cc1ccc2nonc2c1)C(=O)c1ccc2c(c1)CCCO2 426512294 PXVSOMFWYQDJMU-UHFFFAOYSA-N 323.352 2.820 0 50 DFAA Cc1cncc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 181841300 VLLJCLMPCIJSKS-LBPRGKRZSA-N 322.405 2.783 0 50 DFAA COc1ccnc(C(=O)NC2(c3cc(F)ccc3F)CC2)c1 534635535 OSRSPXNFMREWKP-UHFFFAOYSA-N 304.296 2.788 0 50 DFAA Cc1nc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)cs1 184719532 LAFPBUUNWDLSMJ-OAHLLOKOSA-N 319.405 2.572 0 50 DFAA CCCc1cc(CN(C)C(=O)N[C@@H](C)c2cccc(C)n2)n[nH]1 534588869 VNCZJJAPMNHNDD-ZDUSSCGKSA-N 315.421 2.968 0 50 DFAA Cn1cccc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c1=O 366549779 FWDYLOPSQJSILT-MRXNPFEDSA-N 310.397 2.651 0 50 DFAA O=C(NCc1cccs1)NCc1n[nH]c2c1CCCCC2 828032310 OXFONMJKENEEGA-UHFFFAOYSA-N 304.419 2.740 0 50 DFAA C[C@@H](Oc1ccccc1CN1CC(c2ccncc2)C1)C(=O)O 828445672 QIBMTKWOWNQZEP-CYBMUJFWSA-N 312.369 2.533 0 50 DFAA Cc1cccc(OC[C@H]2CCCN(CCn3cnnc3C)C2)c1 670460934 JVACIHPYUBCZSJ-KRWDZBQOSA-N 314.433 2.686 0 50 DFAA CC(C)(CNC(=O)Nc1ccc[n+]([O-])c1)c1ccccc1F 1353192781 BDROIOKXNVDABD-UHFFFAOYSA-N 303.337 2.558 0 50 DFAA CCC1(N(C)C)CCN(c2ncnc3cccc(OC)c23)CC1 631477667 MVYQCLIRWDDUCR-UHFFFAOYSA-N 314.433 2.949 0 50 DFAA C[C@@H]1C[C@@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CCN1C 170597939 ABXVRVXWKPLLGR-OLZOCXBDSA-N 323.437 2.544 0 50 DFAA CCOc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cc1OC 188639040 ZEPCAWWVHLSESJ-JSGCOSHPSA-N 307.390 2.525 0 50 DFAA Cc1ccoc1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 192062553 HZOQFTWNCPSNPT-KDOFPFPSSA-N 301.386 2.948 0 50 DFAA CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1ccc2[nH]ccc2c1 192942558 GJWGHFZVKXSXPJ-QWRGUYRKSA-N 303.362 2.877 0 50 DFAA CCOC(=O)CCN1CCC[C@H](c2c[nH]c3ncccc23)C1 585133545 LNKMIGGHQDXEAN-ZDUSSCGKSA-N 301.390 2.696 0 50 DFAA CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1cc(C)on1 585122398 ZKEVUWWMHXQFIA-LLVKDONJSA-N 308.769 2.538 0 50 DFAA O=C(O)[C@H](c1cccnc1)N1CCc2c(F)cc(F)cc2C1 652435127 PJDWZZVPRNRLNW-HNNXBMFYSA-N 304.296 2.544 0 50 DFAA C[C@@H]1CCSCCN1C(=O)NC1CCC(CN(C)C)CC1 195579694 XLKOLFBPKXOEQJ-WLYUNCDWSA-N 313.511 2.644 0 50 DFAA CC(C)(C)n1cnc(NC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)n1 654036683 GRCZJSJAHHWBFG-STQMWFEESA-N 321.425 2.502 0 50 DFAA Cc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)nc1 767710067 XRUZDUWRUMXVJS-NSHDSACASA-N 309.325 2.695 0 50 DFAA c1ccc(Cn2ccnc2CN2CCN3CCCC[C@H]3C2)cc1 246189813 MBFPLPQKJRVTIO-SFHVURJKSA-N 310.445 2.602 0 50 DFAA CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1cccc2c1ccn2C 1615571501 JYEPPINOXUNADY-SJORKVTESA-N 312.417 2.879 0 50 DFAA CCc1c(C)noc1NC(=O)c1cc2c(cc1C)OCCO2 1529169042 RORCTTARHPQCIE-UHFFFAOYSA-N 302.330 2.877 0 50 DFAA CCc1c(C)noc1NC(=O)[C@H](C)Oc1ccccc1OC 1529146296 MGVCDIHTTKZGHU-NSHDSACASA-N 304.346 2.960 0 50 DFAA Cc1cccc(N2CCC(N3C[C@H]4C[C@H](O)C[C@H]4C3)CC2)c1 1800413048 AFTMNIGHGHYUSU-MNZLEMJZSA-N 300.446 2.667 0 50 DFAA Cc1cc(NCCCc2cnn(C)c2)nc(-c2ccccc2O)n1 1704303297 GPMZBWGDORRLSG-UHFFFAOYSA-N 323.400 2.936 0 50 DFAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCCCCC2)cc1 5050083 NVFJNZDBZGDGIH-INIZCTEOSA-N 305.418 2.895 0 50 DFAA O=C(C1CCOCC1)N1CCO[C@H](Cc2ccccc2Cl)C1 12764235 NOCBPVZHZPGKPK-OAHLLOKOSA-N 323.820 2.537 0 50 DFAA CCOC(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O 16158753 MVLDLMQMSHLPLH-UHFFFAOYSA-N 301.220 2.603 0 50 DFAA O[C@H](CN1CCOCC1)CN(c1ccccc1)c1ccccc1 19535222 JLCNOUPZLKSARL-LJQANCHMSA-N 312.413 2.518 0 50 DFAA C[C@@H]1CN(C[C@H](O)COc2ccccc2C(C)(C)C)C[C@@H](C)O1 19781653 HEIQUICBMLVKRZ-OAGGEKHMSA-N 321.461 2.833 0 50 DFAA COc1ccc(Cl)cc1-n1ncnc1[C@@H]1C[C@@H]2CC[C@H]1O2 1857714843 ONMWLUHEKKCUHU-DMDPSCGWSA-N 305.765 2.964 0 50 DFAA COc1ccc(CC(=O)N[C@@H](CO)CCC(C)(C)C)cc1OC 225447864 HGWMZSBQPIRCJW-CQSZACIVSA-N 323.433 2.550 0 50 DFAA CC(C)=C[C@H]1[C@H](C(=O)NCCc2c(C)nn(C)c2C)C1(C)C 122110103 RZRGSENENFONPT-JKSUJKDBSA-N 303.450 2.934 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2CO)C1 252476900 DMFJLMJYUMWFQC-IGQOVBAYSA-N 300.468 2.511 0 50 DFAA Cc1cccc2nc(CCNC(=O)[C@@H](C)c3cccc(O)c3)cn12 823740466 SVUUKBLBDLQWCZ-AWEZNQCLSA-N 323.396 2.811 0 50 DFAA C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cc(Cl)cc(Cl)c1F 830381589 SNFXJCAWFZRACM-WKEGUHRASA-N 319.163 2.588 0 50 DFAA CCOC(=O)c1sc(C2CCN(C(=O)CC)CC2)nc1C 867850549 DROKQFQVCSFETQ-UHFFFAOYSA-N 310.419 2.744 0 50 DFAA C=CC(=O)N1CCC(C(=O)Nc2ccccc2OC(F)F)CC1 1875365654 LTWACFIJVMIPPK-UHFFFAOYSA-N 324.327 2.651 0 50 DFAA COc1ccc(-c2cc(C(=O)NCc3cccnc3)on2)cc1 1875321437 IIKHANVSJVECRL-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA Cc1nn(C2CCC2)cc1CN1C[C@@H](C2CC2)[C@](F)(C(=O)O)C1 1875405484 HDNQFOOCVGZQNX-RDJZCZTQSA-N 321.396 2.551 0 50 DFAA CCN1C[C@@](C)(CSc2nnc(-c3ccoc3C)o2)C1=O 1775990447 GEPBOVAFLPCMSU-AWEZNQCLSA-N 307.375 2.599 0 50 DFAA Cc1cncc(CCN[C@H]2CCN(Cc3ccccc3)C[C@H]2C)n1 402798259 ODHRTCSSYCHMLD-UZLBHIALSA-N 324.472 2.828 0 50 DFAA O=C(Nc1ccc(I)cc1)C(F)(F)F 54667 FDWUACCNDXQZBU-UHFFFAOYSA-N 315.032 2.792 0 50 DFAA biogenic COC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 98142 AZCMBGBPIXYNSG-UHFFFAOYSA-N 315.325 2.743 0 50 DFAA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccn2)cc1 361189 JLGVEXDQEXSCGP-UHFFFAOYSA-N 315.398 2.916 0 50 DFAA CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccncc1 8782291 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C[C@@H](CCc1ccco1)NC(=O)c1cccc(-n2cnnc2)c1 65372656 ADOVHFXIBJXNAA-ZDUSSCGKSA-N 310.357 2.611 0 50 DFAA COCCNC(=O)CCC1CCN([C@H](C)CC(F)(F)F)CC1 20785433 DBCWUEYPBKJAAO-GFCCVEGCSA-N 324.387 2.582 0 50 DFAA C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1 252092999 DZFKCTMRVXTCJY-JFGNBEQYSA-N 302.827 2.838 0 50 DFAA CC(C)n1ccc(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)n1 280660529 DEXHHFZCJKJETK-UONOGXRCSA-N 316.409 2.776 0 50 DFAA CC[C@@H](O)C1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1 65433782 PEFIGTIMPZRWAI-MRXNPFEDSA-N 312.417 2.834 0 50 DFAA O=C(c1cc(C2CC2)on1)N1CCC([C@@H]2CCCOC2)CC1 252537067 KFHDETVKIMOLLU-CQSZACIVSA-N 304.390 2.831 0 50 DFAA CCN(CC)c1ccc(NC(=O)[C@@H](C)C2CCOCC2)cn1 119962949 JNLPJTZIDSDPBG-ZDUSSCGKSA-N 305.422 2.929 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cnc(C3CC3)s2)C1 328631361 KKUOMWHNMKRHGN-DGCLKSJQSA-N 320.418 2.674 0 50 DFAA Cc1cnc(CNc2nncc(-c3ccc(Cl)cc3)n2)cn1 12589702 AJGVIVASBMYUBC-UHFFFAOYSA-N 312.764 2.903 0 50 DFAA CCN(C(=O)c1coc(C2CCOCC2)n1)c1cccnc1 330035019 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CN(CCCNc1cc(C2CC(O)C2)ncn1)c1ccccc1 222935969 ZDDVVAHBGUDODP-UHFFFAOYSA-N 312.417 2.653 0 50 DFAA Cc1ccc2[nH]c(CNc3cc(C4CC(O)C4)ncn3)nc2c1 220083210 VJDXDZIERWWNBK-UHFFFAOYSA-N 309.373 2.512 0 50 DFAA Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)o1 265254387 HEBAXPVKJUEOEO-ZDUSSCGKSA-N 300.314 2.659 0 50 DFAA CCn1ccnc1CN(C)C(=O)c1ccc(-c2cncn2C)cc1 426728206 GURMNIHRMLVYCG-UHFFFAOYSA-N 323.400 2.576 0 50 DFAA Fc1ccc(N2CC[C@@H](N3CCCC4(CCNCC4)C3)C2)cc1 426395408 QEXSSHRCELLKKG-GOSISDBHSA-N 317.452 2.870 0 50 DFAA Cc1cccc([C@H]2CCCN2C(=O)NC[C@H]2CCCOC2)n1 178572699 SNOSIGIYENDJOF-GDBMZVCRSA-N 303.406 2.663 0 50 DFAA O=C(CC(F)(F)F)N1CCC[C@@H](c2nccn2CC2CC2)C1 95526684 RRCNHRYFXOYTQK-GFCCVEGCSA-N 315.339 2.952 0 50 DFAA O=C(NC[C@H]1CCCN1)c1ccc(-n2cnc3ccccc32)cc1 178731804 LOLIPMPLLBXCTL-OAHLLOKOSA-N 320.396 2.507 0 50 DFAA CNC(=O)c1cccc(C[C@H]2COc3c(cccc3OC)C2)c1 95499270 CERQATRCUMEPCE-CQSZACIVSA-N 311.381 2.849 0 50 DFAA O=C(C1CCN(Cc2ccco2)CC1)N1C[C@H]2CC=CC[C@H]2C1 95360255 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CN(CCN1CCCC1)C(=O)CC[C@@H]1CCCN2CCCC[C@H]12 584896362 HEYMTMOMXVRUQE-ZWKOTPCHSA-N 321.509 2.585 0 50 DFAA CCc1nc2cc(NC(=O)[C@@H](N)CCSC)ccc2n1CC 952973876 PWVJJLXRTOUHCF-LBPRGKRZSA-N 320.462 2.638 0 50 DFAA Cc1nc(C)c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)s1 218667021 BYACCBXJKHKVNG-WOPDTQHZSA-N 308.403 2.618 0 50 DFAA CN1C(=O)CC[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 170085333 DDHBOODRTYXAGW-NVXWUHKLSA-N 318.392 2.794 0 50 DFAA Cc1cccc([C@@H]2CCCN2c2nc(O)c3cnn(C)c3n2)c1 674063483 CHKJMSBCCAGBRV-AWEZNQCLSA-N 309.373 2.719 0 50 DFAA Nc1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)ccn1 193341849 RJJITZSEQCKDFL-GOSISDBHSA-N 315.392 2.749 0 50 DFAA O=C(O)c1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1 766735937 XLFSLFKBBKMUNQ-UHFFFAOYSA-N 321.336 2.882 0 50 DFAA C[C@@]12C[C@@H](NC(=O)N1C[C@@H]1CCCO1)c1cc(F)cc(F)c1O2 1615612248 BFNVXURJEWYCFE-OWRWGESLSA-N 324.327 2.709 0 50 DFAA O=C(CCc1c[nH]c2ccccc12)Nc1cnn2c1NCCC2 1506402490 PDRUZFRARRSSTN-UHFFFAOYSA-N 309.373 2.751 0 50 DFAA 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CC1(C)CN[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 888102454 DNVYDOFJWFNYQU-CQSZACIVSA-N 318.808 2.521 0 50 DFAA O=C(c1cccn2nnnc12)N(Cc1ccccc1)CC1CCC1 896333320 FVFKBZQAKOPDOR-UHFFFAOYSA-N 321.384 2.567 0 50 DFAA CC1(C)C[C@@](C(=O)O)(n2cc(-c3ccccc3)cn2)CCO1 1776006986 FZKUDKBELZYCEC-KRWDZBQOSA-N 300.358 2.919 0 50 DFAA Cc1cccc(CNC2(C(N)=O)CCCC2)c1Br 929999649 FCSKHMYGVPRXER-UHFFFAOYSA-N 311.223 2.645 0 50 DFAA CN1C[C@@H](Nc2cnc3cc(F)c(F)cc3n2)CC12CCC2 2325780649 FBNGHEOJSJQPCW-JTQLQIEISA-N 304.344 2.947 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CNC[C@@H]4C3)cc2)c1C 2325795500 ISQSTBCETKAWLS-PHZGNYQRSA-N 324.428 2.673 0 50 DFAA Cc1nnc([C@@H]2CN(Cc3cc4ccccc4nc3C)CCO2)o1 2325800440 HCOJMASNWPKILC-KRWDZBQOSA-N 324.384 2.808 0 50 DFAA Cc1nnc(CN2CCC3(CC2)OCCc2sccc23)s1 2356147030 FDUUENJJDSDORN-UHFFFAOYSA-N 321.471 2.972 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@@H]1C[C@@H](O)C2=O 2557184 QQIVKFZWLZJXJT-KHCQEIDKSA-N 304.430 2.850 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCc3csc(C)n3)C[C@H]21 2356164022 BEFJFMYKNXUMMD-LXZKKBNFSA-N 322.474 2.784 0 50 DFAA COc1nc(C)cc(C)c1CNc1c(C)c(C)nc2ccnn12 2356167666 XKNGBVFVNWSQCG-UHFFFAOYSA-N 311.389 2.979 0 50 DFAA CC(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 2747971 XJSHSYMOGYFGER-UHFFFAOYSA-N 300.333 2.757 0 50 DFAA O=C(NC[C@@H]1OCCc2ccccc21)[C@H]1OCCc2ccccc21 6810775 MGRYHXDGBMMJFI-OALUTQOASA-N 323.392 2.731 0 50 DFAA Nc1c(C(=O)NCCOc2ccccc2)sc2ncccc12 10010943 QUKAQKJTPQONTD-UHFFFAOYSA-N 313.382 2.687 0 50 DFAA CO[C@H](C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1)c1ccccc1 222181107 PXYIWNIBTYHUIK-PMPSAXMXSA-N 305.418 2.630 0 50 DFAA C[C@@H]1Cc2cc(C(=O)O)ccc2N1S(=O)(=O)c1ccccc1 10324744 FRGQCDJSMGRZOY-LLVKDONJSA-N 317.366 2.525 0 50 DFAA Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@H]2C)c1Br 2780787 NGDFTEKEIIGRAK-PSASIEDQSA-N 314.227 2.800 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)[nH]1 225539904 KWTKFNXZDJRHOH-HUUCEWRRSA-N 302.349 2.719 0 50 DFAA CCn1ncnc1[C@H](C)NCc1c[nH]nc1-c1ccc(F)cc1 55360030 HIJVNFQMIBWUHH-NSHDSACASA-N 314.368 2.678 0 50 DFAA Cc1cnn(CCCCCS(=O)(=O)c2ccccc2F)c1 111902128 CHLLEBAVHJXBNN-UHFFFAOYSA-N 310.394 2.975 0 50 DFAA C[C@@H]1CCCC[C@H]1CC(=O)NCc1cc(O)nc(C2CC2)n1 1363361051 VDBHYLNJIMABNR-YPMHNXCESA-N 303.406 2.892 0 50 DFAA O=C(c1nccc2ccccc12)N1CCN(CC2CCC2)CC1 20820365 IIMLXFJWAVAASK-UHFFFAOYSA-N 309.413 2.793 0 50 DFAA c1cncc(-n2cccc2CN2CCC[C@@H](Cn3ccnc3)C2)c1 65394987 RFYXJDISEMMLKA-QGZVFWFLSA-N 321.428 2.981 0 50 DFAA Cc1cc(F)c(CNC2CCN(C(=O)C3CC3)CC2)c(F)c1 424143578 ZUHVCADEGBTVGU-UHFFFAOYSA-N 308.372 2.764 0 50 DFAA CC[C@H](c1cccnc1)N(C)CC(=O)NCc1ccccc1F 65395793 JFVUVPQTDBCKFY-QGZVFWFLSA-N 315.392 2.920 0 50 DFAA CCn1ncc(Cl)c1C(=O)N[C@@H](Cn1cccn1)C(C)(C)C 2781245 SKNWLLATCPRIGY-LBPRGKRZSA-N 323.828 2.598 0 50 DFAA CN(C(=O)[C@@H]1C[C@H]1c1cccnc1)c1nc2ccccc2n1C 120302333 BTOZKCDSMWODDZ-UONOGXRCSA-N 306.369 2.735 0 50 DFAA O=C(c1cc2sccc2[nH]1)N1CCO[C@H](C(F)(F)F)C1 71759763 RPQNYDBSKAPHFQ-JTQLQIEISA-N 304.293 2.633 0 50 DFAA C[C@@](O)(CN1CCCN(c2ccccc2)CC1)C(F)(F)F 253396722 MXOMZRCYEQOOAF-CQSZACIVSA-N 302.340 2.512 0 50 DFAA COc1ccc(CN(C(=O)CCc2ccn(C)n2)C2CC2)cc1 429909429 KKQIGHQXAJXHBV-UHFFFAOYSA-N 313.401 2.553 0 50 DFAA Cc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)n[nH]1 215838536 KWSSAYFKRFRRFS-UHFFFAOYSA-N 306.369 2.561 0 50 DFAA COc1cncc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)n1 358654993 XEBPBXLHEDVAKK-INIZCTEOSA-N 315.348 2.814 0 50 DFAA COC[C@@H](C)NC(=O)N1CCC(Cc2cccc(F)c2)CC1 125601179 GCHDFAZOGXEWSW-CYBMUJFWSA-N 308.397 2.825 0 50 DFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ncoc3C)C2)c1 77322000 AZPOMZOSTGPXKU-LBPRGKRZSA-N 316.357 2.630 0 50 DFAA Cn1ccnc1CN(C(=O)Cc1ccc(F)cc1Cl)C1CC1 219037693 KYVSTQRBDSRVLK-UHFFFAOYSA-N 321.783 2.946 0 50 DFAA CC(=O)NC[C@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 155629154 FRMBNONQOFDAFF-MRXNPFEDSA-N 316.445 2.748 0 50 DFAA CN(C)C(=O)CCN[C@@H]1CCCOc2cc3c(cc21)CCCC3 126630875 HHTNMKHLQGBBGS-QGZVFWFLSA-N 316.445 2.847 0 50 DFAA Cc1ccc(C2(C(=O)N3C[C@@H](C(=O)O)[C@H](C4CC4)C3)CC2)cc1 219587818 WHCYRKWVGCMXIE-JKSUJKDBSA-N 313.397 2.596 0 50 DFAA COc1cccc([C@@H](C)CC(=O)NC2CCC(C(=O)O)CC2)c1 237302630 KHNNWUNYJYVYPO-OPFPJEHXSA-N 319.401 2.948 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)CC2CCNCC2)[C@H](C)CO1 237532382 JFMQPDNJMRFPFF-CRAIPNDOSA-N 316.445 2.673 0 50 DFAA Cc1ccc(OCC(=O)N2CCC[C@@H](CCC(=O)O)C2)c(C)c1 237693804 DRHLLLOVNRQMLL-HNNXBMFYSA-N 319.401 2.786 0 50 DFAA C[C@H]1OCC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 378426943 WXRDCQGNISDPMR-CRAIPNDOSA-N 316.445 2.534 0 50 DFAA C[C@@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 132172848 TYMUIHIUBWATRO-TUVASFSCSA-N 312.454 2.525 0 50 DFAA O=C([C@@H]1CCc2ccccc2O1)N1CC(Oc2ccccc2)C1 221419158 MAZWFEGABKJPDM-SFHVURJKSA-N 309.365 2.670 0 50 DFAA C[C@@H](NC(=O)N[C@H]1CCNC1)C(c1ccccc1)c1ccccc1 518218937 OHHCKGYRIURYLD-QAPCUYQASA-N 323.440 2.868 0 50 DFAA CC1(C)Cc2cc(CN(CCO)Cc3nccs3)ccc2O1 223357877 VPZPTPFOWUZKKZ-UHFFFAOYSA-N 318.442 2.851 0 50 DFAA COCCn1c(NCc2ncc(Cl)n2C)nc2ccccc21 290875673 BJFJGMGGOBWQSV-UHFFFAOYSA-N 319.796 2.682 0 50 DFAA CCn1ncc(CN(C)Cc2cnc(N3CCCC3)s2)c1C 426487398 NCWACZFVKOPAFA-UHFFFAOYSA-N 319.478 2.900 0 50 DFAA CCC/C=C/[C@H](C(=O)O)N1CCC(O)(c2ccccc2)CC1 95391172 NIRGZCUIHKAVDQ-ZWIJEDICSA-N 303.402 2.780 0 50 DFAA COc1c(F)cc(F)cc1-c1ccccc1O[C@@H](C)C(N)=O 96136084 QGNZIPDRDIPJNU-VIFPVBQESA-N 307.296 2.893 0 50 DFAA Cc1ccccc1[C@H](O)CN[C@H](c1nnc[nH]1)c1cccs1 293260744 BYSLVLDDVBLNRM-HIFRSBDPSA-N 314.414 2.587 0 50 DFAA CC1(C)CN(C(=O)NCCc2ccccc2F)CC[C@]1(C)O 91518925 CYLKTURZCUCQFM-KRWDZBQOSA-N 308.397 2.561 0 50 DFAA COc1cccc(C2(C(=O)Nc3nc(C)n(C)n3)CCCC2)c1 293658141 JBICXBZKZMFCOT-UHFFFAOYSA-N 314.389 2.583 0 50 DFAA Cn1cccc1CNC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 606674784 KQTRZDHUPDPBLJ-UHFFFAOYSA-N 312.413 2.988 0 50 DFAA Cc1cc(C(=O)Nc2sccc2C(=O)OC(C)(C)C)n(C)n1 184452508 WNPBRIATZXKIQD-UHFFFAOYSA-N 321.402 2.998 0 50 DFAA COc1ccc([C@H](C)NC(=O)N2CCC3(CCO3)CC2)cc1F 374542939 IHJXGMBVDTUDMH-LBPRGKRZSA-N 322.380 2.860 0 50 DFAA Cc1csc(CCCNC(=O)c2cnc3c(c2)CCC3)n1 299787795 ZYGDOHDZHCINPR-UHFFFAOYSA-N 301.415 2.698 0 50 DFAA O=C(NCC1CCNCC1)NC1(Cc2ccc(Cl)cc2)CC1 828001243 GFGPOOGAEZUAKN-UHFFFAOYSA-N 321.852 2.714 0 50 DFAA CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 407961286 CNXSYZOCOSPFGY-BMFZPTHFSA-N 305.422 2.620 0 50 DFAA Cc1cc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)sc1C 408497525 RLTKYUJRUUSWJU-WOPDTQHZSA-N 313.444 2.606 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)Cc2ccoc2C)cn1 275595538 STUVCUQPGFHSFL-JKSUJKDBSA-N 317.389 2.541 0 50 DFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](N)c3ccccc3)cn2)n1 170599551 YUWWRAAATVEXIK-KRWDZBQOSA-N 321.384 2.523 0 50 DFAA Nc1ccc(F)cc1NC(=O)c1cnc(-c2ncccn2)s1 170676240 BCJWVLISNKMEBY-UHFFFAOYSA-N 315.333 2.574 0 50 DFAA C[C@@H]1C(=O)NCCCN1Cc1cc(-c2ccc(Cl)cc2)no1 189299781 XAXJXVGZYWLHRP-LLVKDONJSA-N 319.792 2.705 0 50 DFAA c1ccc2c(c1)nnn2CSc1nnc(N2CCCC2)s1 585132916 GPAFEUFGUFCPAZ-UHFFFAOYSA-N 318.431 2.633 0 50 DFAA CCCCn1nc(C)cc1NC(=O)CN1Cc2ccccc2C1 1529181246 LFBSZZJNYTUJQR-UHFFFAOYSA-N 312.417 2.946 0 50 DFAA Cc1cccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)n1 1772811074 OBKFTKAKDWMXPZ-UHFFFAOYSA-N 305.341 2.611 0 50 DFAA CN(CC[C@@H]1COCCO1)Cc1ccccc1CN1CCCC1 1775984028 XXJQIQXSOSRRDE-LJQANCHMSA-N 318.461 2.520 0 50 DFAA C[C@]12C[C@@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2 1772808295 LSRWCPCKAOQUBJ-PIGZYNQJSA-N 315.348 2.677 0 50 DFAA CCOC(=O)c1cc(NC(=O)C2CCC2)cc(C(=O)OCC)c1 5615941 XEPBHZIDTOFADE-UHFFFAOYSA-N 319.357 2.779 0 50 DFAA O=C1[C@@H]2C[C@@H](CN2Cc2cccnc2)N1c1ccc2c(c1)CCC2 14995625 SWDOSUMMVOZFQE-OALUTQOASA-N 319.408 2.560 0 50 DFAA CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 15064568 JTZCZFHSDAZGME-SFHVURJKSA-N 306.450 2.818 0 50 DFAA CC(C)(CO)CN[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 19299876 LMGDBAGAWIDJBJ-INIZCTEOSA-N 310.869 2.913 0 50 DFAA Cc1nc(C)c(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)s1 328641104 QIGYLHFDZSNBSV-DZGCQCFKSA-N 306.435 2.503 0 50 DFAA CCC(=O)N1CCCN(Cc2noc(C3CCCCC3)n2)CC1 156273643 PDDJZRAQBWMCJZ-UHFFFAOYSA-N 320.437 2.562 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 261673516 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CCOc1ccc([C@@H](NC=O)c2ccc(OC)c(OC)c2)cc1 337603 WCHBZXXIWHDFSD-GOSISDBHSA-N 315.369 2.938 0 50 DFAA CC(=O)c1ccccc1OC[C@H](O)Cn1cnc2ccccc21 810207 AXGSMDJKNBOFJL-CQSZACIVSA-N 310.353 2.679 0 50 DFAA COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC(C)C 4488928 PKPWHMLXGCHOFF-CYBMUJFWSA-N 303.358 2.524 0 50 DFAA CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 4750561 KYAOZTRYEFAUKL-UHFFFAOYSA-N 314.410 2.913 0 50 DFAA COc1ccccc1OCCn1c(CCO)nc2ccccc21 8786100 ARAKZYSQRLOAHB-UHFFFAOYSA-N 312.369 2.659 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2nn(C)c3ccccc23)c1 55359185 CTVJJOGLMJVTRS-AWEZNQCLSA-N 322.412 2.980 0 50 DFAA Cc1cc(CNC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)[nH]n1 55119200 KLIUIGLCULWGSG-CYBMUJFWSA-N 316.405 2.788 0 50 DFAA C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cccnc1S 134444077 KZVZZXZLKHXRKY-YGRLFVJLSA-N 320.389 2.751 0 50 DFAA O=c1[nH]nc(CCC(F)(F)F)n1-c1ccc(F)c(Cl)c1 67804400 AJJZIXYHJTYYAH-UHFFFAOYSA-N 309.650 2.848 0 50 DFAA Oc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 23213984 QVAAVDYIADWQDF-UHFFFAOYSA-N 320.396 2.709 0 50 DFAA Cc1nn2cc(CNC3CCC4(CCNCC4)CC3)nc2s1 67785220 BZZITUQNCFBUAW-UHFFFAOYSA-N 319.478 2.501 0 50 DFAA CC(C)Cc1noc([C@H](C)NC2CSCCSC2)n1 67726319 NWLKZRNFJWFBOZ-JTQLQIEISA-N 301.481 2.767 0 50 DFAA CN(CC1CC1)C[C@@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 252679842 SAUATPDFVASHBD-DLBZAZTESA-N 308.466 2.526 0 50 DFAA CCOC(=O)C[C@H]1CCN(C(=O)c2ccon2)c2ccccc21 1364015222 MDXYSKVEBGCAFZ-GFCCVEGCSA-N 314.341 2.762 0 50 DFAA Cc1cc2nc(C(=O)N3C[C@H]4C5CCC(CC5)[C@H]4C3)cc(C)n2n1 71715199 IPOZDLIPVJHQHN-STONLHKKSA-N 324.428 2.854 0 50 DFAA Cc1ccc2nc(CN3CCO[C@@H](C(F)(F)F)C3)[nH]c2c1C 71681728 PTPALDGWQCNSPB-GFCCVEGCSA-N 313.323 2.943 0 50 DFAA Cc1ccnc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n1 360951874 UGZADHTZSRDZOV-UHFFFAOYSA-N 307.357 2.840 0 50 DFAA CC(C)COc1cncc(N2CCO[C@@H](c3ccco3)C2)n1 153331693 RWEGVMNLHYKAQE-CQSZACIVSA-N 303.362 2.682 0 50 DFAA O=C(CCCn1sc2ccccc2c1=O)Nc1cccnc1 36360843 RDNMWSLGLBENBS-UHFFFAOYSA-N 313.382 2.877 0 50 DFAA CNC(=O)c1ccc([C@@H]2CCCCN2C(=O)C(F)=C(C)C)n1C 375429289 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O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccnc(C2CC2)c1 263453331 TXQSBPMGOBUWAT-KCXAZCMYSA-N 314.385 2.817 0 50 DFAA Cc1nc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)sc1C 176362418 FEJJTFSZOWTYOR-CYBMUJFWSA-N 317.462 2.677 0 50 DFAA COC[C@@]1(CNCc2cccs2)OCCc2ccccc21 289896245 QSYDUDJARGCVFD-QGZVFWFLSA-N 303.427 2.952 0 50 DFAA O=C(CC1CC1)N1CCC(N2CCc3cc(F)ccc32)CC1 225757615 SPKSXEBMRSVSJW-UHFFFAOYSA-N 302.393 2.979 0 50 DFAA COc1ccc([C@@H](C(=O)O)N(C)CCc2ccccn2)cc1C 95379290 ATKLAPMZVHGXTM-KRWDZBQOSA-N 314.385 2.699 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@]1(O)C1CCC1 91794387 AIVAPOGPGICHEG-DIFFPNOSSA-N 316.426 2.919 0 50 DFAA Cc1cccc([C@H](NC(=O)Cc2nnc(C)o2)c2ccccn2)c1 179359807 QVTXZGATQSDOQU-SFHVURJKSA-N 322.368 2.530 0 50 DFAA CN(C)[C@H]1CCN(Cc2ccc3occc3c2)C[C@H]1CCCO 92022165 SGFKWHVJYULXOI-MSOLQXFVSA-N 316.445 2.957 0 50 DFAA CN(CC[C@@H](O)c1ccccc1)C(=O)NCCCn1cccc1 534661951 WPKMWBLMSWLSHV-QGZVFWFLSA-N 315.417 2.643 0 50 DFAA O=C(O)C1=NN(c2ccc(OCc3ccccc3)cc2)C(=O)CC1 703602976 NERXQFIXOGBUAF-UHFFFAOYSA-N 324.336 2.833 0 50 DFAA CC(C)Oc1ccc(CN2CCC[C@H](N(C)C)CC2)cc1CO 828817780 VBONSLOPQPLPPP-SFHVURJKSA-N 320.477 2.882 0 50 DFAA CCc1nc(C)c(C(=O)N[C@H](Cn2cccn2)c2ccccc2)o1 584898077 FNFDOEKLBOMMFS-OAHLLOKOSA-N 324.384 2.913 0 50 DFAA COc1ccccc1OCCCN1CCc2n[nH]c(C)c2C1 670452947 GNDFHPIWQVPSAH-UHFFFAOYSA-N 301.390 2.554 0 50 DFAA Cc1nc([C@H]2CCCCCN2C)n(-c2cccc(C(=O)O)c2)n1 670434392 GGLBOZMWJSWTLJ-OAHLLOKOSA-N 314.389 2.821 0 50 DFAA COc1ccc(CN2C[C@H]3CC[C@H](C3)C2)cc1Cn1cncn1 670464118 FPBNTWKRDHEAIA-GASCZTMLSA-N 312.417 2.567 0 50 DFAA O[C@H]1CCCN(Cc2cnn(-c3cccc(Cl)c3)c2)CC1 670456442 HYPXUMSOAULAHV-INIZCTEOSA-N 305.809 2.873 0 50 DFAA CC(=O)c1cc(CNCCC(=O)Nc2cccc(C)c2)n(C)c1 952873678 MVBSADNSVDJWFZ-UHFFFAOYSA-N 313.401 2.655 0 50 DFAA CC(C)Cc1ccc([C@H](C)C(=O)NC2(CO)CCOCC2)cc1 274064946 UJRSRCFVJMCYBY-HNNXBMFYSA-N 319.445 2.646 0 50 DFAA Cc1c(C(=O)N(C)CC(=O)NC(C)C)sc2cccc(F)c12 170078153 NVSGFLJPGKIEPP-UHFFFAOYSA-N 322.405 2.945 0 50 DFAA CC(C)(NC(=O)c1ccccc1)c1nc(-c2ccncc2)no1 170593714 VQMIYOJJDLDPRH-UHFFFAOYSA-N 308.341 2.797 0 50 DFAA CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NC[C@@H]1CC[C@H](O)C1 170608237 CKLJBLFWPKUXEF-PVAVHDDUSA-N 322.424 2.853 0 50 DFAA COc1ccc(Cn2ccc(NC(=O)C3[C@@H]4CCC[C@@H]34)n2)cc1 189674952 VPZCYOQQUCGJJR-HUUCEWRRSA-N 311.385 2.925 0 50 DFAA Cc1nc(N2C(=O)N[C@@](C)(c3ccccc3)C2=O)sc1C 761031890 MLXASXDQZDGNTA-HNNXBMFYSA-N 301.371 2.732 0 50 DFAA C[C@H](O)CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1 1614690316 BTTNNHOSNZLXKZ-QMMMGPOBSA-N 302.252 2.905 0 50 DFAA O[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1Cc1ccccn1 1615733763 PTVLRRBKWWTGCY-FZMZJTMJSA-N 308.834 2.832 0 50 DFAA CC(C)CC(=O)N[C@@H]1CC2(CCNCC2)Oc2ccccc21 1616036380 KVMYVVNEUZJZTF-OAHLLOKOSA-N 302.418 2.795 0 50 DFAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@@H]1c1cccnc1 1506419407 BQJCLVQAZCJFDW-GOSISDBHSA-N 324.428 2.980 0 50 DFAA CN1CCN(CC2CCN(c3ccnc4ccccc34)CC2)CC1 1506396126 OEWAPQHJGKDMIY-UHFFFAOYSA-N 324.472 2.699 0 50 DFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)[C@H](C)C(=O)O)c1 262129422 NQZHTDBEFONZOT-SECBINFHSA-N 319.810 2.557 0 50 DFAA CC1=C(C(=O)N2CCCCC2)[C@@H](c2cc(C)cs2)NC(=O)N1 5697958 YUQQGNUKGCXJIE-CQSZACIVSA-N 319.430 2.697 0 50 DFAA O=C1C[C@@H](C(=O)N2CCC[C@H](c3ccncn3)C2)c2ccccc21 14993321 NKGRYLQLDGFBHT-XJKSGUPXSA-N 321.380 2.553 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)c(C)c1 15465422 WGQMLAMPWALGBL-HOCLYGCPSA-N 314.429 2.915 0 50 DFAA Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)no1 16605042 IKIMVYPQVMBLFC-UHFFFAOYSA-N 319.792 2.594 0 50 DFAA O=C(Cc1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1 19787850 DGCIGGFSKRBQMC-UHFFFAOYSA-N 312.388 2.713 0 50 DFAA CC(C)c1nc(=NC(=O)c2ccc(N3CCCCC3)cc2)[nH]o1 1875242929 IMCBGKBQVIJJHF-UHFFFAOYSA-N 314.389 2.858 0 50 DFAA CN(CCCC(=O)O)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl 237278074 XTKRVKUGQYQVKH-UWVGGRQHSA-N 313.756 2.906 0 50 DFAA O=C1OCCN1Cc1ccc(NCc2ccc(CO)cc2)cc1 585118538 SMKLLSQYLRCFRA-UHFFFAOYSA-N 312.369 2.743 0 50 DFAA C[C@@H](CN1CCC[C@@H](N(C)CC(=O)O)CC1)c1ccccc1 263507735 MNKQQCQEZQRTOI-DOTOQJQBSA-N 304.434 2.661 0 50 DFAA Cc1c(C(=O)NC[C@]2(C)CCCCO2)cnn1CCC(C)C 832483665 QDFVYYWFMGUQJW-KRWDZBQOSA-N 307.438 2.927 0 50 DFAA CCn1ccc(CN(C)C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)c1 1875293414 PHCNMNBRCFPCQL-NWDGAFQWSA-N 316.405 2.526 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccccc2F)C1 1875361352 XLYXVUIILOWHQO-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA Cc1cc(N2CC[C@H](C3CC3)[C@H]2c2nc(O)n[nH]2)ncc1Cl 1875400163 SIHRCCKXRFSFCY-MFKMUULPSA-N 319.796 2.845 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cc(Br)cs2)[C@@H]1CN 156612151 VTXRUDVWUAGMCX-PSASIEDQSA-N 317.252 2.710 0 50 DFAA Cc1nc(C(=O)N[C@@]2(C)CCO[C@H]2C)c(Br)s1 408469738 UJQOVBTWWYJYSA-KGFZYKRKSA-N 319.224 2.511 0 50 DFAA COc1ccc(Br)c(C(=O)NCC[C@@H](C)F)c1 356645919 LPKFASXHBQKXTQ-MRVPVSSYSA-N 304.159 2.936 0 50 DFAA CNCCOc1cccc(NC(=O)/C=C/c2cnc(C)s2)c1 2325778981 YOPAQCWFAGFNHL-VOTSOKGWSA-N 317.414 2.702 0 50 DFAA N[C@@H](CNc1nccc2nccnc12)c1cc(F)cc(Cl)c1 2325857484 DBLYTTNIZDKPTL-LBPRGKRZSA-N 317.755 2.929 0 50 DFAA O=C(NCc1cccs1)[C@@](O)(c1ccccc1)C(F)(F)F 2325874514 PHFGBPDFAFURDJ-ZDUSSCGKSA-N 315.316 2.814 0 50 DFAA CNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 1052835 UUNNGBAXUFCMMO-UHFFFAOYSA-N 304.327 2.809 0 50 DFAA C[C@H](c1cccs1)N(C)S(=O)(=O)C[C@H]1CCCCO1 245905214 MHDJAYCXVJHPTP-VXGBXAGGSA-N 303.449 2.640 0 50 DFAA CC(C)Cc1cc(NC(=O)[C@@H]2Cc3ccccc3S2)n[nH]1 342946430 OZILYLMWAZOHNP-AWEZNQCLSA-N 301.415 3.264 0 50 DFAA COCCN1CCC[C@@]2(CCN(Cc3cc(F)cc(F)c3)C2)C1 67818339 XYDNVPKFLXSAHT-GOSISDBHSA-N 324.415 2.899 0 50 DFAA Cc1cccc(C(=O)Nc2ccc(Cc3nnn[nH]3)cc2)c1C 135558537 OJKDSTNUFRVJLB-UHFFFAOYSA-N 307.357 2.660 0 50 DFAA CCOC(=O)C1(C(=O)Nc2ccc3nc(S)[nH]c3c2)CCC1 135501885 MLKMEJDEUJDSDM-UHFFFAOYSA-N 319.386 2.524 0 50 DFAA CCOCC1(c2nc(CCc3ccc4c(c3)CCO4)no2)CC1 347108193 ACTUDXDNLLEIEW-UHFFFAOYSA-N 314.385 2.858 0 50 DFAA Cc1ccc(N2C[C@@H](NC3CCN(C(C)C)CC3)CC2=O)cc1 65428328 DMBPZIDHYQRMLZ-KRWDZBQOSA-N 315.461 2.563 0 50 DFAA COc1cc(Cl)ccc1C(=O)NCc1cccnc1N(C)C 67163866 MVYBVRHVKGYDCN-UHFFFAOYSA-N 319.792 2.740 0 50 DFAA NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21 32497974 WLFXZNZNYQWNPM-UHFFFAOYSA-N 315.760 2.754 0 50 DFAA CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 252477264 KZFZGNAEZGECEM-BBWFWOEESA-N 320.408 2.874 0 50 DFAA O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1 2041023 NXQMCAOPTPLPRL-UHFFFAOYSA-N 314.337 2.717 0 50 DFAA biogenic Cc1cccc2cc(C(=O)NC[C@H](CO)Cc3ccco3)oc12 215645759 RWYYBHWITBKYAT-CYBMUJFWSA-N 313.353 2.915 0 50 DFAA Cc1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)n[nH]1 354940701 DZDHUGWRYRCRBS-UHFFFAOYSA-N 308.341 2.944 0 50 DFAA CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@H]1c1cc(C(C)C)no1 35511523 WXLQBHBDMVGDRM-YPMHNXCESA-N 323.393 2.596 0 50 DFAA CCc1nnc(CN2CCN(c3ccnc4ccccc34)CC2)o1 253426919 BXYSNNGUIBHNIE-UHFFFAOYSA-N 323.400 2.502 0 50 DFAA CC[C@H](NC(=O)CSc1ncccn1)c1ncccc1C 218789961 LKAILQIXRHMGLL-LBPRGKRZSA-N 302.403 2.540 0 50 DFAA CC[C@H](C)N(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 172080455 WTJYLJRCMJELEK-ZFWWWQNUSA-N 303.406 2.622 0 50 DFAA CCN(Cc1ccccc1)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C 261541120 FOKPWENHSMWTRG-GPMSIDNRSA-N 316.445 2.568 0 50 DFAA CCn1cc(C(=O)N2CCC[C@@H](OC)CC2)c(C(F)(F)F)n1 368534710 PCMYHXJLRYNXMT-SNVBAGLBSA-N 319.327 2.563 0 50 DFAA CSCCC(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 262094904 HQZZKRYZDRYIGW-AWEZNQCLSA-N 324.515 2.972 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)N2CCC3(CCO3)CC2)c1 72429700 GRQPPZPPSSNWMJ-UHFFFAOYSA-N 317.429 2.785 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CC[C@@H]1CCCCO1 237024184 WMWUUUJMQGLAMA-HNNXBMFYSA-N 305.374 2.693 0 50 DFAA COc1csc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)c1 262146664 MVWDDXNPPDAICN-AWEZNQCLSA-N 317.366 2.581 0 50 DFAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)O)nc1 237390437 CCNDKZZGBGGDKE-DOMZBBRYSA-N 310.353 2.798 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cn1 237978829 JVUBTNHFUKIYDU-GFCCVEGCSA-N 302.355 2.819 0 50 DFAA C[C@@](CO)(CNC(=O)c1ccc(F)cc1)Cc1ccccc1 241231140 KSKHWEQMMXOIOE-SFHVURJKSA-N 301.361 2.797 0 50 DFAA CC(=O)c1ccc(N2CC[C@@](O)(c3ccc(F)cc3)C2)nc1 241338669 MCWBLERUHUZMNW-KRWDZBQOSA-N 300.333 2.521 0 50 DFAA Cc1ccnc2[nH]c(CSc3nnc(C4CCC4)n3C)nc12 131576323 QZFAFDARAOVLTF-UHFFFAOYSA-N 314.418 2.955 0 50 DFAA COc1ccnc(C(=O)N2CC(Oc3cccc(Cl)c3)C2)c1 221402406 XDTHVLDLOJRHPE-UHFFFAOYSA-N 318.760 2.647 0 50 DFAA NC1=Nc2nc3ccccc3n2[C@H](c2cc(Cl)ccc2F)N1 40284578 VWHYESFOJNPCKF-CYBMUJFWSA-N 315.739 2.925 0 50 DFAA Cn1cc(CN(C(=O)Cc2ccc(O)c(Cl)c2)C2CC2)cn1 223785638 LOZODUFKARBSJP-UHFFFAOYSA-N 319.792 2.513 0 50 DFAA Cc1nc2cc(CNC(=O)c3ccnc(C(C)C)n3)ccc2n1C 221325236 KTZLWSARLGMOQR-UHFFFAOYSA-N 323.400 2.725 0 50 DFAA COc1ccc(F)cc1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 286014075 NRKTWKZCWSXYSK-OAHLLOKOSA-N 317.364 2.854 0 50 DFAA Cc1ccc(S(=O)(=O)Oc2cc(C(F)(F)F)ncn2)cc1 221637944 TYJFIMVFMUUYLZ-UHFFFAOYSA-N 318.276 2.572 0 50 DFAA CNc1cc(C)nc(-c2cccc(C(=O)N3CCCCCC3)c2)n1 426583938 GPWROPJCYGOTAN-UHFFFAOYSA-N 324.428 3.510 0 50 DFAA CC(C)c1ccc([C@H](C)NC(=O)c2c(C(=O)O)cnn2C)cc1 20614616 UVPCFSPDOOPYJD-NSHDSACASA-N 315.373 2.733 0 50 DFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@@H]1CCCCCN1C 97698729 VTCBYYQXGHAWKN-KRWDZBQOSA-N 320.481 2.914 0 50 DFAA CSc1ccc(NC(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)cc1 95521352 AHSNIMDHIVWNOJ-ZDUSSCGKSA-N 321.446 2.929 0 50 DFAA CSCC[C@H](CO)NC(=O)c1cc2c(Cl)cccc2[nH]1 230213201 KLMWYCQUWGODES-SECBINFHSA-N 312.822 2.665 0 50 DFAA CNc1ncc(CN(C)C(=O)c2ccc3oc(C)cc3c2)cn1 91595686 GTQFICZXBMYGNT-UHFFFAOYSA-N 310.357 2.845 0 50 DFAA O=C(NCCCN1CCCc2ccccc21)[C@H]1CCCCO1 97674448 WGPLOQUMSTXNMV-QGZVFWFLSA-N 302.418 2.515 0 50 DFAA CN(Cc1ccon1)[C@H](C(=O)O)c1ccc(OCC2CC2)cc1 95378212 PJLMEXHXFNXQQJ-INIZCTEOSA-N 316.357 2.721 0 50 DFAA CN(Cc1cccc2cnccc12)c1cc([C@H]2C[C@@H](O)C2)ncn1 244787653 QAVAWQQZZWDKMA-IYBDPMFKSA-N 320.396 2.900 0 50 DFAA CN(Cc1cc(C2CC2)on1)Cc1nnc(-c2cccnc2)o1 244724272 MQYLAKWIFIDRPQ-UHFFFAOYSA-N 311.345 2.629 0 50 DFAA CN(C)CC[C@H](NC(=O)CN1CCCCCC1)c1ccccc1 299765780 ASSFBVQCISCECV-SFHVURJKSA-N 317.477 2.672 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1 305148376 SOFBNKCNSGUFDI-GFCCVEGCSA-N 320.286 2.993 0 50 DFAA Cc1nn(C)c(C)c1NC(=O)N1CCN(C)c2ccccc2C1 271577651 QWWPIHXNSLXGIH-UHFFFAOYSA-N 313.405 2.521 0 50 DFAA Cc1cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc(O)n1 272104370 ZMFUKJPKQHRLMP-UHFFFAOYSA-N 312.369 2.821 0 50 DFAA CS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCCC3)CC2)cc1 273090894 AYZJPNYZTUICSM-OAHLLOKOSA-N 322.474 2.545 0 50 DFAA CCc1ncnc(N2CCC(Oc3ncccc3F)CC2)c1F 278484990 PDCMVSUQNHBTQF-UHFFFAOYSA-N 320.343 2.760 0 50 DFAA O=C(Cc1ccn[nH]1)N[C@H](c1cccc(F)c1F)C(F)(F)F 170594309 PQPLQSWELNVZMJ-GFCCVEGCSA-N 319.233 2.650 0 50 DFAA O[C@]1(C(F)(F)F)CCN(Cc2ncc(C(F)(F)F)s2)C1 279362807 HRLPDJKWGSAKRW-MRVPVSSYSA-N 320.258 2.661 0 50 DFAA CCC(CC)(C(=O)NCc1cc(C)on1)C(=O)OC(C)(C)C 585090125 VVUAUZJFQQJPHG-UHFFFAOYSA-N 310.394 2.747 0 50 DFAA CCC1(CC)CN(Cc2ccc(O)c(OC)c2)CC[S@]1=O 194995015 KBSHVPWXRGXQBX-OAQYLSRUSA-N 311.447 2.524 0 50 DFAA Cc1ccc(C)c(CC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1 1616070378 TVTDQAAAPFPRBB-OALUTQOASA-N 324.424 2.615 0 50 DFAA Cc1cc(C(=O)N2CCc3onc(-c4ccccc4)c3C2)no1 12300325 IWWQIHHXCZAXBW-UHFFFAOYSA-N 309.325 2.837 0 50 DFAA Cc1ccc(CS(=O)(=O)NCCCN2CCC(C)CC2)cc1 13672685 OKWQNQYEAIBVDW-UHFFFAOYSA-N 324.490 2.536 0 50 DFAA CCNC(=O)N1CCC[C@](Cc2ccccc2)(C(=O)OCC)C1 15061528 RLEFSKLYGSMVDV-GOSISDBHSA-N 318.417 2.604 0 50 DFAA O=C(C1CCC1)N1[C@H]2CC[C@@H]1[C@](Cc1ccccc1)(C(=O)O)C2 1857694228 GMOJTQUQSDYDOC-FRQCXROJSA-N 313.397 2.864 0 50 DFAA CC(=O)NCCC(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1 1857721774 FRQDIPCNXLAIED-UHFFFAOYSA-N 311.385 2.830 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)c3cc(C)c(F)cc3F)C2)n1 408051045 GQUJVNFOGOOVDW-JTQLQIEISA-N 307.300 2.594 0 50 DFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(F)cc(Cl)c2)C1 622761459 JTWRXEJAAVBWPM-GHMZBOCLSA-N 324.705 2.973 0 50 DFAA FCC1(CNc2ncnc3c2oc2ccccc23)CCOCC1 450733378 PHEJZAQDIIEEHE-UHFFFAOYSA-N 315.348 3.554 0 50 DFAA C[C@@H](CC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1F 365920882 HXYPUYSUIBBFAJ-LBPRGKRZSA-N 316.380 2.844 0 50 DFAA C[C@@H](NC(=O)N1CCC[C@](C)(O)CC1)c1cccc(C#N)c1 390833727 MANBKYRUYDSJJB-DYVFJYSZSA-N 301.390 2.566 0 50 DFAA Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc(C2CC2)nn1C 931841864 HYXNHEPKSNAFGG-OAHLLOKOSA-N 311.385 2.778 0 50 DFAA CC[C@](O)(CC(=O)NCCc1cnccc1C)c1ccccc1 855393422 SGPAITPXWJVYQN-IBGZPJMESA-N 312.413 2.737 0 50 DFAA CN(C)c1ccc(-c2noc([C@H]3CCCC(=O)N3C)n2)cc1F 1875283879 HNMLIKKWTAQSMN-CYBMUJFWSA-N 318.352 2.625 0 50 DFAA Cc1cc(O)ncc1NS(=O)(=O)c1ccc(C(C)(C)C)nc1 1875281221 WIMMWIMPUYOFFC-UHFFFAOYSA-N 321.402 2.589 0 50 DFAA Cc1noc([C@@]2(O)CCN(Cc3ccccc3CC(C)C)C2)n1 1875271387 ALYVMJBAMACFLG-GOSISDBHSA-N 315.417 2.670 0 50 DFAA C=CC(=O)N(Cc1ccc(C)nc1C)[C@H]1c2ccccc2C[C@H]1O 1875382634 KGNUFIKIIRILCU-QUCCMNQESA-N 322.408 2.871 0 50 DFAA CCCn1ccc(=NC(=O)Nc2ccc(Cn3ccnc3)cc2)[nH]1 1875337667 YYNVOORUVFVMIF-UHFFFAOYSA-N 324.388 2.604 0 50 DFAA COCCN1CCC(Nc2ccc3cc(Cl)cnc3n2)CC1 892013836 OZOWLJZXUBBSBP-UHFFFAOYSA-N 320.824 2.806 0 50 DFAA Cc1cccc(C)c1CN[C@H]1CCOC2(CC(C(=O)O)C2)C1 1771909505 IZYRLQYQVPPSPC-CSLYMUCUSA-N 303.402 2.805 0 50 DFAA Cc1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)s1 899501810 SOSZAJYXQZVJJZ-UHFFFAOYSA-N 324.349 2.783 0 50 DFAA Cc1ncccc1CNC[C@@H](O)c1ccccc1Br 825338633 RRTCXHXTERTLNH-OAHLLOKOSA-N 321.218 2.976 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 68847 HUNBERVSMWFRIQ-BMIGLBTASA-N 318.373 2.665 0 50 DFAA COc1cc(N=c2[nH]nc(-c3ccc(F)cc3)[nH]2)cc(OC)c1 2100545292 NITPHLFXJLTFHQ-UHFFFAOYSA-N 314.320 2.794 0 50 DFAA Cc1cc2ccccc2c(N2CCC[C@]3(CC2)CNC(=O)N3)n1 2325802383 DPBJUZJZNMBJAC-SFHVURJKSA-N 310.401 2.585 0 50 DFAA CC[C@@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 140148 IKTCHSRDTGMGQE-SECBINFHSA-N 310.151 2.667 0 50 DFAA CCc1c(OC[C@@H](O)CNC(C)C)cc(C)c(OC(C)=O)c1C 395746 YDSJXIMAAQEWJS-HNNXBMFYSA-N 323.433 2.529 0 50 DFAA Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 3957709 MSFRIZZDNBEGTR-UHFFFAOYSA-N 308.337 2.538 0 50 DFAA O=C(Nc1sccc1C(=O)N1CCOCC1)C1CCCCC1 4750136 NUJOZBHGGDZWCK-UHFFFAOYSA-N 322.430 2.739 0 50 DFAA CCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 4841357 ORIPWJFGDQYIIG-UHFFFAOYSA-N 311.341 2.897 0 50 DFAA COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cccs1 4868857 AZFSOSGTSUONNL-JTQLQIEISA-N 322.415 2.523 0 50 DFAA COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1OC 8493515 BHDNCFNMLJKFHV-UHFFFAOYSA-N 311.341 2.761 0 50 DFAA biogenic Cc1cc(NC(=O)[C@@H]2CCCO2)ccc1NC(=O)c1ccco1 8910053 WPBXXKYMQAFOFU-AWEZNQCLSA-N 314.341 2.958 0 50 DFAA COc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 100373470 LYJUWOLHXJASTH-KBXIAJHMSA-N 313.353 2.547 0 50 DFAA C[C@@H](NC(=O)c1ccc(F)c(O)c1)c1cc2n(n1)CCCC2 1362979275 QOBYQJSTPZIJPL-SNVBAGLBSA-N 303.337 2.555 0 50 DFAA CC(=O)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 67935357 DJXLERNZDPMDGX-OAHLLOKOSA-N 311.385 2.680 0 50 DFAA CSCCC(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 174917242 FIOOWHCKKANNAW-MRXNPFEDSA-N 306.475 2.720 0 50 DFAA CCN(CC)S(=O)(=O)N1CC[C@H](c2cccc(Cl)c2)C1 432286267 XXTIGAJXFYEPBJ-ZDUSSCGKSA-N 316.854 2.716 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1nnc2n1CCCCC2 329137426 DHOWYMFRNIHDHK-AWEZNQCLSA-N 314.437 2.682 0 50 DFAA COc1cc(OC)c(C(=O)NCc2cccs2)cc1OC 2644021 DBTPHENWSFBTDQ-UHFFFAOYSA-N 307.371 2.704 0 50 DFAA NC1(C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)CC1 71404148 NTEMZQVZJQLQHX-GFCCVEGCSA-N 308.372 2.627 0 50 DFAA CC(C)=CCC[C@@H](C)N[C@H]1CCCN(c2nccnc2O)C1 328627614 GIPBZZQVVMUNKT-CABCVRRESA-N 304.438 2.876 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc(C(C)C)n2)C1 328631293 QUNCFWAFRLHMQF-GDBMZVCRSA-N 316.405 2.858 0 50 DFAA Cc1ccnc(CNC(=O)c2cccc(Cn3ccnc3)c2)c1 357354734 JSMMLQSFKKPZTN-UHFFFAOYSA-N 306.369 2.565 0 50 DFAA C[C@@H]1CSc2ccccc2CN1C(=O)CCc1cnccn1 365567899 YANTZOZFIBCRHO-CYBMUJFWSA-N 313.426 2.932 0 50 DFAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cccnc1S 155923620 OPVPUHHBJJSCRS-AWEZNQCLSA-N 314.410 2.614 0 50 DFAA Cc1nn(C)cc1CN(C)S(=O)(=O)c1ccc(C(C)C)cc1 14249891 VLPYOLNGVTZBSX-UHFFFAOYSA-N 321.446 2.673 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)c1[nH]c2ccccc2c1C 215316815 MXYLIZRRAFGHRM-UHFFFAOYSA-N 301.390 2.511 0 50 DFAA C[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CCc2c[nH]nc2C1 332911289 KGQDKRGCAJZKFT-WFASDCNBSA-N 310.401 2.596 0 50 DFAA COc1ccc(F)c(CN2CCN(C3CCCCC3)C(=O)C2)c1 215162934 DUBDTULEIXODOU-UHFFFAOYSA-N 320.408 2.811 0 50 DFAA CC[C@H](C(=O)Nc1ccc(N2CCNCC2)cn1)c1ccccc1 261703584 OZNIVQKAAKAILT-KRWDZBQOSA-N 324.428 2.624 0 50 DFAA CNC[C@H]1CCCN(C(=O)COc2ccccc2C(C)(C)C)C1 237293561 VMRADADDDYZFNI-OAHLLOKOSA-N 318.461 2.821 0 50 DFAA C[C@@H](CC(=O)Nc1ccc(-n2cccn2)cc1)C1CCNCC1 237378340 HPMNGYYHMAXFAU-AWEZNQCLSA-N 312.417 2.837 0 50 DFAA CCc1nc(C)cn1Cc1nc(-c2ccc3c(c2)OCO3)no1 71764542 XBQAQHDPWLWBDU-UHFFFAOYSA-N 312.329 2.581 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 377983455 GFFFGVKQMLRRHT-CYBMUJFWSA-N 323.400 2.543 0 50 DFAA Cc1nc(CN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)oc1C 340238176 RXBASJPJAJEBAT-IUODEOHRSA-N 308.328 2.878 0 50 DFAA CC1(C)CN(C(=O)NCC2(c3ccccc3)CC2)CC[C@@H]1O 287070356 LAQNKATVINNVKQ-HNNXBMFYSA-N 302.418 2.521 0 50 DFAA CCc1nccn1[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 263574886 ODGKTMCRCRXRQO-MRXNPFEDSA-N 313.401 2.981 0 50 DFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c2ccccc2c1CC 223112806 QSCKDDCDHFIWMN-HZPDHXFCSA-N 316.401 2.654 0 50 DFAA CSc1ccc(C(=O)N2CCC(c3ncon3)CC2)cc1 426487568 SNDBOWAKHNMADB-UHFFFAOYSA-N 303.387 2.811 0 50 DFAA CC[C@@H](C)c1ccc(NC(=O)c2nn(C)cc2C(=O)O)cc1 20614418 LMWWYYRRDPBQLZ-SNVBAGLBSA-N 301.346 2.884 0 50 DFAA CCCn1cc(C(=O)N(C)Cc2cnc3ccccc3n2)c(C)n1 92001725 ISMYDTNAPURQDD-UHFFFAOYSA-N 323.400 2.817 0 50 DFAA Cc1cc(C)c2[nH]c(C(=O)N(C)C[C@H]3COCCO3)c(C)c2c1 91746603 IAJQOFGIAFIINF-AWEZNQCLSA-N 316.401 2.581 0 50 DFAA Cc1ccc([C@@H](C(=O)N(C)C2CCSCC2)N(C)C)cc1 95383910 QOGUUHACVUAOJC-INIZCTEOSA-N 306.475 2.952 0 50 DFAA CC(C)c1nc(CCn2cc(-c3cncnc3)nn2)cs1 95357420 DCWRCTZIYBZOPA-UHFFFAOYSA-N 300.391 2.558 0 50 DFAA N[C@H]1c2ccccc2C[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 91665300 RVTDZOWLSQQSBW-IRXDYDNUSA-N 310.372 2.598 0 50 DFAA CCOC1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 91755485 WNEIYNKGYRJZMI-UHFFFAOYSA-N 304.365 2.668 0 50 DFAA CN(Cc1cnc2ccccc2n1)Cc1noc(-c2ccco2)n1 244884197 YHFFKMPIFZLNBU-UHFFFAOYSA-N 321.340 2.905 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1c1ncon1 183174825 NIFFHORRWJNTBQ-CYBMUJFWSA-N 317.393 2.697 0 50 DFAA Oc1ccc([C@H]2CCCN2Cc2cccnc2C(F)(F)F)nn1 625994538 VEVQDTTXTFLWGS-GFCCVEGCSA-N 324.306 2.933 0 50 DFAA Cn1ncc2c(N)c3c(nc21)C[C@H](c1ccc(F)cc1)CC3=O 618255854 AQZUNZDJOPFEKT-JTQLQIEISA-N 310.332 2.602 0 50 DFAA Cc1cc(C)n(CCN(C)C(=O)c2cnc3c(c2)CCCC3)n1 299783235 YZLXQERPRAYJBT-UHFFFAOYSA-N 312.417 2.546 0 50 DFAA N[C@@H]1CN(Cc2ncccc2Cl)C[C@H]1c1cccc(F)c1 629536494 GHOCHELAWSEQQS-DZGCQCFKSA-N 305.784 2.801 0 50 DFAA Cc1cc(C[C@@H](C)n2cnc3cccc(Cl)c3c2=O)n[nH]1 670473724 YWCUBLDSZUZFBJ-SNVBAGLBSA-N 302.765 2.885 0 50 DFAA c1sc(CN2CCc3nocc3C2)cc1CN1CCCC1 670444166 GFOGQLJCZKWUKM-UHFFFAOYSA-N 303.431 2.890 0 50 DFAA CN(C)C(=O)c1cncc(NC[C@@]2(c3ccccc3)CC2(C)C)n1 952977316 BWNFNMSWUKQHKX-LJQANCHMSA-N 324.428 2.958 0 50 DFAA CCC[C@H]1CN(C(=O)CSc2ccccc2)C[C@@H]1N(C)C 1565512402 OCSJCAFYPWBRHU-HOCLYGCPSA-N 306.475 2.967 0 50 DFAA C[C@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@]1(O)C1CC1 1565529099 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COC[C@@H]1CCCN(C(=O)NCCc2cc(C)ccc2OC)C1 113583494 FHRVRZIBSUOQQW-OAHLLOKOSA-N 320.433 2.614 0 50 DFAA COC[C@@H](NC(=O)c1cnc(O)cc1C)c1cccc(Cl)c1 426517264 RSZQOJXRUTZAJI-CQSZACIVSA-N 320.776 2.867 0 50 DFAA O=C(N[C@H]1CCC[C@H](C2CC2)C1)N1C[C@@H]2CCC[C@H](C1)C2O 241634560 PNLJWRQHWLTZRH-CLYSKQOPSA-N 306.450 2.758 0 50 DFAA O=C(O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 262661148 MYQJVNIISFSNGV-KIDURHIOSA-N 323.339 2.828 0 50 DFAA O=C(Nc1ccccn1)N(CCO)[C@@H]1CCCc2ccccc21 265152065 GDJVOYCCACJRGR-MRXNPFEDSA-N 311.385 2.985 0 50 DFAA O=C(NC1CCCCCCC1)c1cnc(C2CCNCC2)o1 911940432 NDCXWILDOVLMBN-UHFFFAOYSA-N 305.422 2.984 0 50 DFAA Cc1cc(C)n(CCC(=O)N=[S@](C)(=O)c2ccc(F)cc2)n1 952880086 UBKXTLUGQXSQLR-JOCHJYFZSA-N 323.393 2.713 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)c2cc[nH]c3nccc2-3)CCN1 1875284965 XIFKJOBPKNGKIZ-KRWDZBQOSA-N 320.396 2.610 0 50 DFAA Cc1cc(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)nn1C 1875286182 NLYXTQFLNLEVMO-VIFPVBQESA-N 319.752 2.967 0 50 DFAA O=C(O)[C@H](CCO)CN1Cc2ccccc2-c2ccccc2C1 1875312808 AYBMLKXRHOXDOS-MRXNPFEDSA-N 311.381 2.752 0 50 DFAA C=CC(=O)N1CCC(C(=O)NCC[C@@H](C)CC(C)(C)C)CC1 1875365717 RZCJJYKUMHAKIF-CQSZACIVSA-N 308.466 2.990 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(Cl)o2)C1 888103134 JDWHGQAQWQHTDL-MNOVXSKESA-N 323.780 2.875 0 50 DFAA O=C(c1cccc(Oc2ccc(Cl)cn2)c1)N1CC[C@@H]1CO 889162107 LWHPUMFQKONJFD-CYBMUJFWSA-N 318.760 2.734 0 50 DFAA CC(C)c1nc(O)ccc1C(=O)N[C@H]1COc2ccccc2C1 2100554901 GWOSVDJQIMOFRA-CYBMUJFWSA-N 312.369 2.644 0 50 DFAA CC1(C)[C@H]2CC[C@@]13CCN(C(=O)N[C@@H]1C[C@@H]4COC[C@@H]41)[C@H]3C2 2325794168 SVNHUWVXACOKEV-BOIDDXRWSA-N 304.434 2.632 0 50 DFAA FC1(F)CCC[C@@H](NCc2cn(Cc3ccccc3)nn2)C1 893113697 MMIJRBJOWDXZBM-CQSZACIVSA-N 306.360 2.994 0 50 DFAA O=C(NC(=S)N1CCCC1)c1ccccc1Br 67518 UJQHNJRAGZEQPO-UHFFFAOYSA-N 313.220 2.560 0 50 DFAA Cc1nn(C)c(C)c1CNC(=O)c1cccc(Br)c1 194758 QHWUXZZWCYRPCO-UHFFFAOYSA-N 322.206 2.729 0 50 DFAA Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 1066212 NBHXTJGLTDNYLV-ZDUSSCGKSA-N 313.353 2.807 0 50 DFAA Cc1ccc(CCC(=O)N2CCC[C@]23CCCNC3=O)c(C)c1 2356156142 SRBLJEYIRGPXMO-IBGZPJMESA-N 314.429 2.507 0 50 DFAA COc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 10542835 ULBDGPIPCSAWGS-HUUCEWRRSA-N 304.434 2.793 0 50 DFAA CC(C)CCC1CCN(c2ccc(C(=O)N(C)C)nn2)CC1 413204323 XYYDYRYOXVEDGD-UHFFFAOYSA-N 304.438 2.831 0 50 DFAA CCOc1cccc(OCCN(C)C(=O)[C@H](C)OC(C)C)c1 55359758 OJFPYZSGWCNANV-AWEZNQCLSA-N 309.406 2.736 0 50 DFAA CC(=O)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100632873 IXZODIVPDJERGT-KGLIPLIRSA-N 303.745 2.911 0 50 DFAA CC(C)Cc1nc(CN(C)C(=O)c2cc(C(C)C)on2)no1 65387660 VHUVFAXZXCDWIH-UHFFFAOYSA-N 306.366 2.652 0 50 DFAA Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)oc2c(C)cccc12 136162823 MCVQRIMODBYWLV-LBPRGKRZSA-N 301.342 2.986 0 50 DFAA CCOc1ccc([C@@H]2NCCc3[nH]cnc32)c(OCC)c1C 65536005 VNPFBCNFFDZPQX-HNNXBMFYSA-N 301.390 2.751 0 50 DFAA Fc1ccc(N2CC[C@H](NCC3(Cn4cccn4)CC3)C2)cc1 65463281 UXIZVSWSRWVEAS-INIZCTEOSA-N 314.408 2.671 0 50 DFAA COc1ccc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)o1 67673429 ZVRVEPKWSQTGKB-HNNXBMFYSA-N 321.398 2.936 0 50 DFAA CCc1nc(CN(C)C(=O)c2ccccc2N2CCCC2)no1 20536317 IDNAUTALYHMHOY-UHFFFAOYSA-N 314.389 2.504 0 50 DFAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)no2)cc1 21719644 ARPXFDKDSBHHGE-CQSZACIVSA-N 322.386 2.517 0 50 DFAA c1cc2c(cc1SCCc1nc(C3CC3)n[nH]1)OCCO2 65526081 HZAFFMCHIUVEKY-UHFFFAOYSA-N 303.387 2.788 0 50 DFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(F)cc2)C[C@@H](C)O1 229518337 HQYJJUNQGRQKBF-JKIFEVAISA-N 320.408 2.540 0 50 DFAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)c1ccc(F)cc1)C2=O 229724434 YJLDIHLVZJIJPR-PMUMKWKESA-N 319.376 2.670 0 50 DFAA Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2ccco2)cn1C1CC1 252483084 DUMYAOJRKOOKOF-LBPRGKRZSA-N 300.358 2.918 0 50 DFAA Cc1cc(C)c2[nH]c(=O)c(CN(C)CCCn3cccn3)cc2c1 67654155 UJAGOXAFKUHRDM-UHFFFAOYSA-N 324.428 2.864 0 50 DFAA Cc1ccccc1N1CCCN(c2ncnc3onc(C)c23)CC1 77377389 YIQHRJUOVUWKGN-UHFFFAOYSA-N 323.400 2.951 0 50 DFAA Cc1nc(C)c(C(=O)NCCc2nc3c(s2)CCCC3)o1 73282509 ARDVEHWSLBNNRM-UHFFFAOYSA-N 305.403 2.599 0 50 DFAA Cc1cc(N2CC[C@@](O)(c3ccc(F)cc3)C2)nc(C2CC2)n1 375034681 CYEYGPOTRXGSQI-SFHVURJKSA-N 313.376 2.899 0 50 DFAA COc1ccc(NC(=O)CCN2CCC[C@@H]2c2ncc[nH]2)cc1 363679092 RPDPEVONJUDIJT-OAHLLOKOSA-N 314.389 2.584 0 50 DFAA CCN(CCNc1ncnc2c1c(C)nn2C)c1cccc(C)c1 72480853 SPWXBGIUGGJIFB-UHFFFAOYSA-N 324.432 2.919 0 50 DFAA Cc1ccc(CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)cn1 365565413 IPBHJINDUOYSTN-ZDUSSCGKSA-N 323.396 2.578 0 50 DFAA CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)/C=C/CN(C)C 493638340 AAGNNOPCHHJWDE-MONBBHFESA-N 316.445 2.572 0 50 DFAA O=C(Nc1ccccc1N1CCCC1)[C@@H]1CCn2ccnc2C1 155961967 RBWUWHPLNHYDSF-CQSZACIVSA-N 310.401 2.684 0 50 DFAA CC(=O)N[C@@H]1CN(Cc2cc3ccccc3n2C)C[C@H]1C(C)C 77354179 XIOUDPUFWFMDSJ-ZWKOTPCHSA-N 313.445 2.771 0 50 DFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](N)C3)c2c1 237773804 PNMDVDDSDAEVMM-CQSZACIVSA-N 309.413 2.902 0 50 DFAA O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC([C@@H]2CCOC2)C1 377131950 HNLWCNRMYCKBQJ-LLVKDONJSA-N 304.777 2.930 0 50 DFAA Cc1c[nH]c([C@H](C)NC(=O)CCCOCc2ccccc2)n1 218917765 YPXRATOVLNEYKE-AWEZNQCLSA-N 301.390 2.892 0 50 DFAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(Cl)c(C(F)(F)F)c1 284693722 QCFUACWPLVSSDW-KCJUWKMLSA-N 324.705 2.757 0 50 DFAA CSc1nnc(CC2CCN(c3ccncc3F)CC2)n1C 82146952 WUBAUAOZFDOALW-UHFFFAOYSA-N 321.425 2.530 0 50 DFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)NCCc1cccc(F)c1)C2 174700461 WUWWBCCOIVKPIG-IRXDYDNUSA-N 319.424 2.683 0 50 DFAA CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(C(=O)O)n1 263559222 ATKRWVPHKSGLEC-UHFFFAOYSA-N 310.353 2.584 0 50 DFAA CC[C@@H](C(=O)O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 263559195 ASMLKDRZRUUIBX-KBPBESRZSA-N 314.389 2.514 0 50 DFAA CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2ccnn2)cc1 175644541 NYEUFSUPBLJWFT-INIZCTEOSA-N 312.417 2.939 0 50 DFAA Cc1ncsc1CCNC(=O)N(C)Cc1cc(C2CC2)on1 426727533 STABMBYDIKAGKS-UHFFFAOYSA-N 320.418 2.701 0 50 DFAA CSCc1ccc(C(=O)N(Cc2nccn2C)C2CC2)o1 223430359 WQMCMWHJJDFNDF-UHFFFAOYSA-N 305.403 2.681 0 50 DFAA CCC[C@@]1(CO)CCN(C(=O)c2c(F)ccc3ccncc23)C1 614953036 TUFOUQWPDWFCLO-GOSISDBHSA-N 316.376 2.999 0 50 DFAA Cc1c(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)ccn1C 426537802 WRXSHWNUPGCBKS-HNNXBMFYSA-N 315.417 2.569 0 50 DFAA CCc1csc(CCNC(=O)[C@@H]2COc3ccccc3C2)n1 95524233 YCYRWMUNMMVCJD-ZDUSSCGKSA-N 316.426 2.616 0 50 DFAA O=C(NC1Cc2ccccc2C1)c1c[nH]nc1-c1ccccc1 95388164 VHTQGAVGYPTJSE-UHFFFAOYSA-N 303.365 2.974 0 50 DFAA OCCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95353209 RPDBGXFTFUETRN-SFHVURJKSA-N 314.473 2.713 0 50 DFAA Cc1nonc1[C@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1 92046880 FJCOHURSGAAQFF-CQSZACIVSA-N 315.348 2.912 0 50 DFAA C[C@H](c1ccc(-n2cncn2)cc1)n1cc(-c2nccs2)nn1 95386851 GXITVDZAWGXNBP-LLVKDONJSA-N 323.385 2.592 0 50 DFAA CCn1ncnc1[C@@H](Nc1nc2c(s1)c(C)nn2C)C1CC1 96142184 PILZYTCVWZQABV-JTQLQIEISA-N 317.422 2.513 0 50 DFAA Cc1cccc([C@@H](Nc2ncc(F)c(N(C)C)n2)C2CC2)n1 95366650 HHDWMRVCEXUYCS-AWEZNQCLSA-N 301.369 2.948 0 50 DFAA COC(=O)[C@H](CC(C)(C)C)Sc1nnc(N(C)C)s1 180994329 DISBJNVRVXWREQ-QMMMGPOBSA-N 303.453 2.674 0 50 DFAA CN(Cc1cnccn1)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 297487476 UCNVWLIAWRHSKH-CTYIDZIISA-N 314.364 2.703 0 50 DFAA O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)N[C@@H]1CCC[C@H]1O 297518261 HJJKRKXYXZTHBW-RBSFLKMASA-N 310.344 2.555 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N(C)Cc1cccnc1)CC2 299742122 HADMHKVVEJCXQG-AWEZNQCLSA-N 312.417 2.692 0 50 DFAA C[C@H](NC(=O)CC(C)(C)O)c1cccc(OC(F)(F)F)c1 350113997 ISMNSVRBMZNZLN-VIFPVBQESA-N 305.296 2.923 0 50 DFAA CCCc1nc(C)c(CNC(=O)C[C@@H](C)n2cccn2)s1 534584087 VRHKOYHLEVVKJY-LLVKDONJSA-N 306.435 2.868 0 50 DFAA CC(C)(Cc1ccc(O)cc1)NC(=O)[C@H](O)C1CCCCC1 584903171 NYNATXAAPXYBQL-MRXNPFEDSA-N 305.418 2.771 0 50 DFAA Cn1cccc1C(=O)C(=O)N1CCC2(CCc3ccccc32)CC1 584904205 UFRGEADNHIAUQZ-UHFFFAOYSA-N 322.408 2.714 0 50 DFAA COC(=O)Cc1cc(O)nc2c(C)c(Br)ccc12 675081819 NSFAAEQLWAZMIL-UHFFFAOYSA-N 310.147 2.727 0 50 DFAA COC(=O)/C=C/c1cnc2c(c1)CCCN2C(=O)C(C)(C)C 66054249 BQVQCJGHSIKDMY-BQYQJAHWSA-N 302.374 2.593 0 50 DFAA in-vitro Cc1nc(CN(C)[C@@H](C(=O)O)c2ccc(F)cc2F)cs1 95390085 WGXMSVQDCYYAFS-CYBMUJFWSA-N 312.341 2.987 0 50 DFAA O=C1CNC(=O)N1CC1(c2ccc(F)cc2Cl)CCCC1 277614676 AXUUUVBABHVOEF-UHFFFAOYSA-N 310.756 2.843 0 50 DFAA CC(=O)N1CCN(Cc2cc3ccccc3c(Cl)n2)CC1 170607365 JJCXKIDEMJTFSY-UHFFFAOYSA-N 303.793 2.552 0 50 DFAA Cc1nc(CN2CCCN(C(=O)[C@]34CCC[C@@H]3C4)CC2)oc1C 643334183 MAOISXWSIPVUEK-QAPCUYQASA-N 317.433 2.516 0 50 DFAA C[C@@H]1C[C@@H](C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)CC(C)(C)C1 585091072 STUCBJVRUQOUFC-UPJWGTAASA-N 320.437 2.735 0 50 DFAA O=C(NCc1c(C(=O)O)oc2ccccc12)c1cscn1 738501898 CSXPWUHNSJZJGG-UHFFFAOYSA-N 302.311 2.518 0 50 DFAA Cn1nc(NC(=O)[C@H]2CCCN2c2ccccc2)cc1C1CC1 685893852 LWJZHYGUFJWBBW-OAHLLOKOSA-N 310.401 2.905 0 50 DFAA Cc1nn(CCOc2ccccc2)c(C)c1[C@@H]1CCCC(=O)N1 664097700 XADQCHJJZLXTHU-INIZCTEOSA-N 313.401 2.920 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@H]1C[C@@H](N)C12CCC2 1615555368 RWLJKNUFXBGCBM-ZJUUUORDSA-N 302.296 2.607 0 50 DFAA C=C=CCNS(=O)(=O)CC[C@@H](c1ccccc1)C(F)(F)F 1616037184 HFDDRGHGTKDFRF-ZDUSSCGKSA-N 319.348 2.983 0 50 DFAA CSc1cccc(CN(C(=O)c2[nH]nnc2C)C(C)C)c1 1506407384 RIXHBGKWEUSYGX-UHFFFAOYSA-N 304.419 2.886 0 50 DFAA Cc1ccc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)c(F)c1F 1529154284 JENHFISMYSQSRH-GDBMZVCRSA-N 318.367 2.704 0 50 DFAA Cc1cc([C@@H](C(=O)O)N2CCC(c3cc[nH]n3)CC2)ccc1F 1529168215 YFWWRFIZQXRZLB-INIZCTEOSA-N 317.364 2.863 0 50 DFAA Cc1cc(C(=O)N2CCC3(CC2)C[C@](C)(O)CCO3)ccc1F 1704299883 UDYRHEGOUWVOLO-QGZVFWFLSA-N 321.392 2.670 0 50 DFAA C[C@@H](CCO)NC(=O)c1c(Cl)cccc1Br 585142009 LRFOJOVGVJFWIE-ZETCQYMHSA-N 306.587 2.603 0 50 DFAA COc1cc(Br)cnc1CNC(=O)OC(C)(C)C 35270409 FTBWBVPCPVJBGF-UHFFFAOYSA-N 317.183 2.877 0 50 DFAA in-vitro CCc1c(C)sc(NC(=O)c2cc(C)on2)c1C(=O)OC 13327238 GENXBRQLBQIQEA-UHFFFAOYSA-N 308.359 2.954 0 50 DFAA COc1ccccc1-n1c(O)cnc1Nc1nc(C)cc(C)n1 13208707 PFSDAQXNAFCPCN-UHFFFAOYSA-N 311.345 2.737 0 50 DFAA CC(C)Cc1noc(-c2ccc(N3CCCOCC3)nc2)n1 15063772 MGRSQUSBHRYOAE-UHFFFAOYSA-N 302.378 2.557 0 50 DFAA Cc1cc2cc(C(=O)N3CCO[C@@H](CCN(C)C)C3)ccc2o1 15067439 LCTCWKWESRZZSJ-INIZCTEOSA-N 316.401 2.534 0 50 DFAA CC[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(CC)CC1 16580096 DAPDJNSIVZWNAS-MRXNPFEDSA-N 308.397 2.584 0 50 DFAA CC(=O)NCC(=O)N1CCCCC[C@@H]1C=Cc1ccccc1 1857533252 IUWNOHYKQKTGTQ-QGZVFWFLSA-N 300.402 2.607 0 50 DFAA CC(C)Cc1nc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)no1 1857719199 GPWAUFZRCDPNHT-XHSDSOJGSA-N 318.465 2.574 0 50 DFAA O=C(c1ccoc1)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1857724812 FDHAMGCKDVULFX-CRAIPNDOSA-N 322.364 2.503 0 50 DFAA CCOc1ccc(-c2nccn2[C@@H]2CCN(C)C2)cc1OC 1875251586 XOSXVGHCFHQJBF-CQSZACIVSA-N 301.390 2.834 0 50 DFAA Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccncc2)c(Cl)c1 408523465 RSQJYJJPXAOXRP-AWEZNQCLSA-N 318.804 2.624 0 50 DFAA Cc1cccc2c1CC(C)(C)N(C(=O)c1cn(CC3CC3)nn1)C2 333868998 TZWWURQZAISYOM-UHFFFAOYSA-N 324.428 2.974 0 50 DFAA Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)sc2ccccc12 237760754 KXZUPXGMPXFUEC-NSHDSACASA-N 319.382 2.525 0 50 DFAA O=C(N[C@@H](c1ccccn1)C1CC1)C(F)(F)c1nccs1 928619080 PCTVJQORSCENJC-LLVKDONJSA-N 309.341 2.897 0 50 DFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1Cc1ncc(C2CC2)o1 952890320 XKSDUXFRORPBES-LBPRGKRZSA-N 316.361 2.701 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2cc(OC)ns2)c2ccccc21 952879142 GTEGTKAGSAPVDI-GFCCVEGCSA-N 317.414 2.853 0 50 DFAA O=C(NCc1ccc(-n2cnc3ccccc32)nc1)C1CC(F)C1 1875274222 VMWWBWJWUYXFEP-UHFFFAOYSA-N 324.359 2.785 0 50 DFAA COC(=O)/C=C/CCNC(=O)C1CC(c2ccc(F)cc2)C1 1875312124 SZBZLNCFNJDSPY-DUXPYHPUSA-N 305.349 2.555 0 50 DFAA CCc1noc([C@@H]2CC[C@@H](NC(=O)C3C4CCC3CC4)C2)n1 1875309134 SNSMYBJSXRQXPF-UBDGZGRMSA-N 303.406 2.821 0 50 DFAA CCN(C(=O)c1ccc2c(c1)OC(C)(C)O2)c1cnn(C)c1 1875392814 VMIBEJPORGAZDZ-UHFFFAOYSA-N 301.346 2.594 0 50 DFAA Cc1noc(Cc2ccc(Nc3ncnc4c3CCC4)cc2)n1 896442732 YZPHRIGPOZCKNJ-UHFFFAOYSA-N 307.357 2.991 0 50 DFAA C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@](O)(C(=O)O)C1 1775994668 ZGVVDFKRRJMPAS-ACJLOTCBSA-N 305.418 2.957 0 50 DFAA CC(C)[C@@H]1C[C@@H](NC(=O)c2occc2Br)CCO1 271689187 OAPNQCHKOXAJIY-ONGXEEELSA-N 316.195 2.976 0 50 DFAA Cc1ccc(C(F)(F)F)cc1NC(=O)c1nnsc1N 170048704 STKXDTCDMLHGGL-UHFFFAOYSA-N 302.281 2.700 0 50 DFAA CN(C)Cc1ccc(CN(C)C2=NC[C@H](c3ccccc3)N2)cc1 2325863696 UGLJKSZAFJJQBY-LJQANCHMSA-N 322.456 2.881 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 441533 HBWOZDUYNKCJAV-JTQLQIEISA-N 318.760 2.845 0 50 DFAA Cc1ncc(CN(C)C(=O)c2cccc3ccc(O)nc23)s1 341375762 UMIMCRTVWLQJRC-UHFFFAOYSA-N 313.382 2.978 0 50 DFAA COc1cccc(OCCCn2cnc3ccccc3c2=O)c1 2862966 ZIYATXKTPWYLMW-UHFFFAOYSA-N 310.353 2.874 0 50 DFAA CN(C)CCNC(=O)c1sc2cccc(F)c2c1Cl 4777398 GEGTUNABBSLECE-UHFFFAOYSA-N 300.786 2.985 0 50 DFAA Cc1nc2nc(NC(=O)c3cccs3)nn2c(C)c1Cl 6702603 QLTDHZAYAGXFMK-UHFFFAOYSA-N 307.766 2.708 0 50 DFAA Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 7978724 JLKGYGMTLMDJDQ-UHFFFAOYSA-N 319.386 2.583 0 50 DFAA CC(C)c1cc(O)nc(N2CCN(Cc3ccccc3)CC2)n1 8994894 DFTJNZSJYHUSBV-UHFFFAOYSA-N 312.417 2.628 0 50 DFAA CC1CCC(=CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 225616482 HGAQWTZEZMIORD-ZCJOQKPTSA-N 307.434 2.511 0 50 DFAA Cc1ccc(-c2nnc3sc(-c4ccncc4)nn3c2=O)cc1 9053907 WOCCTVVUKRKHID-UHFFFAOYSA-N 321.365 2.583 0 50 DFAA OCC[C@H]1CN(Cc2cccs2)CCN1Cc1ccccc1 22932750 VVYGVCYMRWOJMO-KRWDZBQOSA-N 316.470 2.817 0 50 DFAA COc1cc(OC)c(OC)cc1CNC[C@@H](O)c1ccccc1 20228048 VXKAYZXFNWEPQP-OAHLLOKOSA-N 317.385 2.536 0 50 DFAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1nc2ccccc2[nH]1 344593832 RMNWDXADTAQOGL-KBRIMQKVSA-N 315.417 2.579 0 50 DFAA Cc1ccc2nccc(N3C[C@H](CN)C4(CCOCC4)C3)c2c1 420282324 WKWKFGQNHWMFDL-HNNXBMFYSA-N 311.429 2.735 0 50 DFAA Cc1ccc2nc(CNC[C@]3(N(C)C)CCSC3)[nH]c2c1C 67673395 NLDBJZWHOBFYOK-QGZVFWFLSA-N 318.490 2.707 0 50 DFAA O=C(Nc1ccccc1F)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1 102987599 AJOZMNVJNWXRBZ-XYHOJCAOSA-N 301.317 2.677 0 50 DFAA Nc1cc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)ccn1 20454158 QYWIRGDCYBNZPQ-GFCCVEGCSA-N 301.777 2.947 0 50 DFAA CN1CCC(N2CCC[C@H](NC(=O)CCC3CCCC3)C2)CC1 20542629 VZTRHOCXGFPNSM-KRWDZBQOSA-N 321.509 2.632 0 50 DFAA Cc1cccc(-c2[nH]ncc2CNCCn2cnnc2C2CC2)c1 124286902 QHQAJEXEODPXTD-UHFFFAOYSA-N 322.416 2.644 0 50 DFAA COc1cccc([C@H](O)CN2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 229923648 YYLOOJOQDBRRTR-CRAIPNDOSA-N 315.417 2.640 0 50 DFAA CCc1nc(C)sc1C(=O)NCc1cnn2ccccc12 72162597 DJUWRUVRCYVRBP-UHFFFAOYSA-N 300.387 2.592 0 50 DFAA O=C(CN1CCN(c2cccs2)CC1)Nc1ccccc1 121257310 VSITWKSWIJOXEI-UHFFFAOYSA-N 301.415 2.509 0 50 DFAA CCCc1nnc2sc(Cc3cc(OC)cc(OC)c3)nn12 71765627 CXDIKDQUZXPGSD-UHFFFAOYSA-N 318.402 2.746 0 50 DFAA O=C(C[C@@H]1CCCNCC1)N1CCCN(c2ccccc2)CC1 427265360 NCFJTLGFPICNGZ-QGZVFWFLSA-N 315.461 2.505 0 50 DFAA O=C(Cc1ccsc1)N1CCC[C@H](OCc2ccccn2)C1 77355775 SDQUKGHVQSWEEI-INIZCTEOSA-N 316.426 2.893 0 50 DFAA Cc1noc(CCC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@H]2C)n1 332098709 FSDILGXOAJBMBP-WDEREUQCSA-N 317.364 2.984 0 50 DFAA COC(=O)c1ccc(N2CCN(c3nc(C)cs3)CC2)cc1 77338430 ARJKWKKSOLBBHC-UHFFFAOYSA-N 317.414 2.565 0 50 DFAA Cc1cnc(C)c(N2CCN(Cc3ccc(C)s3)CC2)n1 216024914 BUZNSRWCCHNIJJ-UHFFFAOYSA-N 302.447 2.786 0 50 DFAA Cc1csc([C@H]2CN([C@H](C)c3nc(C4CC4)no3)CCO2)n1 225215292 ZWKXYSDZTYQTPU-ZYHUDNBSSA-N 320.418 2.846 0 50 DFAA O=c1c2cnc3ccnn3c2ccn1Cc1ccccc1Cl 40387528 BOMRLNQBBUVSKX-UHFFFAOYSA-N 310.744 2.746 0 50 DFAA O=C(CCc1ccncc1)N1CCCC[C@@H]1CCn1cccn1 82161418 GENHRYQNLUXSGW-QGZVFWFLSA-N 312.417 2.682 0 50 DFAA O=C(NC1CCN(Cc2ccccc2)CC1)c1cncs1 287652070 APDHPSLSJCEVSE-UHFFFAOYSA-N 301.415 2.538 0 50 DFAA CC1(C[C@]23CC=CC[C@@]2(C(=O)OCCO)CCCC3)OCCO1 43214744 LVDQEYTVFLQVNL-MSOLQXFVSA-N 324.417 2.572 0 50 DFAA Cc1csc2nc(CN[C@@H]3CCOC4(CCOCC4)C3)cn12 82126563 CIEWVKDIPUNTEY-CYBMUJFWSA-N 321.446 2.522 0 50 DFAA CN(CCc1ncon1)C(=O)c1cc2ccc(Cl)cc2n1C 426509518 RGOBCUFJTKJLIY-UHFFFAOYSA-N 318.764 2.529 0 50 DFAA Cc1ccnc(SCC(=O)N2CCC[C@H]2c2nccs2)n1 220646537 CFGAWBVBUMWCKV-NSHDSACASA-N 320.443 2.697 0 50 DFAA CCn1nc(C)c(CCNC(=O)c2csc(C(C)=O)c2)c1C 96152090 KCONQNMHVFFASS-UHFFFAOYSA-N 319.430 2.756 0 50 DFAA CC[C@H](C(=O)NCc1cc2c(cc1OC)CCC2)n1cccn1 91725357 OKFJOZNTHLSKPX-MRXNPFEDSA-N 313.401 2.648 0 50 DFAA CCn1ccnc1CN(C)C(=O)[C@@H]1CCOc2ccccc2C1 97347382 NKIDWBAETMHFMD-OAHLLOKOSA-N 313.401 2.503 0 50 DFAA Cc1cc(NC(=O)NCCCc2ccccn2)n(CC(C)C)n1 96159797 WQOHVUIGMPHPHB-UHFFFAOYSA-N 315.421 2.997 0 50 DFAA CN(C)[C@@H](CNC(=O)c1ccccc1-c1ncc[nH]1)c1ccco1 97635160 KUBKFWQDFALRCJ-HNNXBMFYSA-N 324.384 2.702 0 50 DFAA Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CCCCC1=O 97495062 JHMLJVMDAYLXNF-INIZCTEOSA-N 300.402 2.671 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2N1CC2(CCNCC2)CCC1=O 91411052 YRTVYDPAHRWJBA-CYBMUJFWSA-N 319.474 2.821 0 50 DFAA COCCn1cncc1CN1CCc2ccc(OC)cc2[C@H]1C 240517093 NUZPONYDCQMFLK-CQSZACIVSA-N 315.417 2.657 0 50 DFAA COCCN(Cc1ccccc1OC)C[C@H]1CCCCN1C 244626802 FTBAHKIHNZTVPI-QGZVFWFLSA-N 306.450 2.628 0 50 DFAA NC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1C(F)(F)F 299743400 KWRVTBZASKQXSS-NXEZZACHSA-N 324.705 2.575 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 299743689 OTZUJKJXVWJJFI-GFCCVEGCSA-N 304.321 2.777 0 50 DFAA Cc1ccccc1CN(CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)C 534592826 RWGVLWKKKUYQNC-HNNXBMFYSA-N 319.449 2.639 0 50 DFAA CCCCCc1nnc(NC(=O)CN2CCC[C@@H](C)C2)s1 362216757 VMSCGBHDBGRBIZ-GFCCVEGCSA-N 310.467 2.941 0 50 DFAA COc1cc(NC(=O)N(Cc2nccn2C)C2CC2)ccc1C 299799922 WEOOUWDPEILNBE-UHFFFAOYSA-N 314.389 2.934 0 50 DFAA C[C@@H](CC(=O)NC1(c2cc(F)cc(F)c2)CC1)n1ccnc1 299789489 YGAKZWJINLDHKV-NSHDSACASA-N 305.328 2.918 0 50 DFAA CC1(C)CCN(C(=O)c2ccoc2C(F)(F)F)CC[S@@]1=O 408466627 MNZODRWVOWQXOC-NRFANRHFSA-N 323.336 2.672 0 50 DFAA Cc1nc(C(=O)Nc2ccnc(OCC(F)(F)F)c2)c(C)o1 408520325 YCYKDSLJBAVUQP-UHFFFAOYSA-N 315.251 2.880 0 50 DFAA CCc1ccc(CNC[C@@H]2CCO[C@H]2c2ccnn2CC)o1 275700336 XMOCKARKGKOMFT-SUMWQHHRSA-N 303.406 2.926 0 50 DFAA CCC[C@@H]1NC(=O)N(c2ccc(Br)cc2F)C1=O 170613902 DJJNPOFTVXVPAK-VIFPVBQESA-N 315.142 2.813 0 50 DFAA CC1(C)[C@@H](NC(=O)c2ccnnc2)C[C@@H]1OCc1ccccc1 186542670 IUCRGFNKZGAMDO-HOTGVXAUSA-N 311.385 2.590 0 50 DFAA CCN1CCC(CCNC(=O)NC2Cc3ccccc3C2)CC1 186613296 QOVDOYUBHAOFLH-UHFFFAOYSA-N 315.461 2.575 0 50 DFAA CCCN1CCC(CNC(=O)NC2Cc3ccccc3C2)CC1 186672020 JJMATPCZGPVZJC-UHFFFAOYSA-N 315.461 2.575 0 50 DFAA Cc1nonc1NC(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 188449994 IOZZSPSUZQALRU-QMMMGPOBSA-N 315.251 2.803 0 50 DFAA CC(C)C[C@@]1(CO)CCCN1C(=O)NCCc1ccsc1 190086942 OWSGKVOMZDHEFC-MRXNPFEDSA-N 310.463 2.873 0 50 DFAA CC(C)N(C)C(=O)[C@@H](C)[S@@](=O)Cc1ccccc1Cl 191206825 CMCUWDAZVHZNPI-WYRIXSBYSA-N 301.839 2.844 0 50 DFAA CN(C(=O)N1CC(O)(c2ccc(F)cc2)C1)c1ccc(F)cc1 192872562 UVRJHHJFXSULJE-UHFFFAOYSA-N 318.323 2.724 0 50 DFAA COC(=O)N(C)CCCC(=O)Nc1cnc(Cl)cc1Cl 585124895 YQLLNKLPDFCFIN-UHFFFAOYSA-N 320.176 2.805 0 50 DFAA C[C@@H]1COC2(CCC2)CN1Cc1cc2ccccc2n(C)c1=O 661461795 GDIWBWCRFGUZKW-CQSZACIVSA-N 312.413 2.682 0 50 DFAA CN(CCN(C)C1CCCC1)C(=O)[C@@H](C(=O)O)C1CCCCC1 1506407155 ORUXRLRVSJVYQG-INIZCTEOSA-N 324.465 2.600 0 50 DFAA Cc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)cc1Br 160403812 PWULXNJPQCMQJX-ZJUUUORDSA-N 300.196 2.504 0 50 DFAA CC(C)Cc1ccc(C(=O)N2CCO[C@H](CCN(C)C)C2)cc1 14973503 RSRWNTSPBUVEDS-GOSISDBHSA-N 318.461 2.678 0 50 DFAA COc1ccc([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCCN24)c(C)c1C 15078014 KDNGEIBQWQMDLF-QOKNQOGYSA-N 314.429 2.680 0 50 DFAA Cc1cc2c(cc1C)[n+](C[C@H](O)COC1CCCCC1)cn2C 15746252 YHOWSNWCXKXTOT-INIZCTEOSA-N 317.453 2.793 0 50 DFAA CCn1cccc(NC(=O)[C@](C)(OC)c2ccccc2F)c1=O 413890999 FCLYZAXWDPMSFJ-QGZVFWFLSA-N 318.348 2.508 0 50 DFAA O=C(N[C@@H]1CC=CCC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331846052 BPQTVSMDIVYFJS-DVOMOZLQSA-N 322.355 2.891 0 50 DFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1ccc3cccc(F)c3n1)C2 248075672 YVOICRRPEAOVDC-KGLIPLIRSA-N 313.376 2.683 0 50 DFAA Cc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3C(=O)O)cs2)o1 136509375 CEEHLPHBRMAEFY-LLVKDONJSA-N 320.370 2.791 0 50 DFAA C[C@@H](C(=O)NCCOc1ccc(F)c(F)c1)c1ncccc1F 253420385 ICHWUYIINIFRDI-SNVBAGLBSA-N 324.302 2.798 0 50 DFAA COc1cc(NC(=O)c2cnn(C(C)(C)C)c2)ccc1C(=O)O 263056985 WYSRMIMXBARKBC-UHFFFAOYSA-N 317.345 2.597 0 50 DFAA O=C(O)Cc1cccc(NC(=O)C[C@@H]2CNc3ccccc32)c1 391034098 XEXBNWUXJCJPBF-CYBMUJFWSA-N 310.353 2.852 0 50 DFAA O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1cncc(C(=O)O)c1 902040574 PTSWLKMRMCELJS-SMDDNHRTSA-N 310.300 2.934 0 50 DFAA COc1c(Cl)cccc1-c1noc(CCN2CCCC2=O)n1 904182198 YKMQXHVQFIKNMJ-UHFFFAOYSA-N 321.764 2.564 0 50 DFAA Cc1cc(CNC[C@H](O)c2ccc(Cl)c(Cl)c2)n[nH]1 905117715 QTJCRZNJADCNHN-ZDUSSCGKSA-N 300.189 2.848 0 50 DFAA O=C(CN1CCSC[C@@H]1C1CC1)Nc1ccc(Cl)nc1 852137268 MHCWNHIAASRPBF-GFCCVEGCSA-N 311.838 2.501 0 50 DFAA Cn1c(-c2ccccc2)nn(Cc2nc(C(C)(C)C)co2)c1=O 1875290863 FXKKHOHCSRPPKJ-UHFFFAOYSA-N 312.373 2.583 0 50 DFAA O=C(Nc1c[nH]c2ccccc12)[C@@H]1COCCN1C1CCCC1 888113637 LGGCSTGFYCOGCU-KRWDZBQOSA-N 313.401 2.750 0 50 DFAA C[C@H](CCOc1ccccc1)c1nc(-c2ccc(O)nn2)no1 1775998723 HFVZKXWWWHYBSP-LLVKDONJSA-N 312.329 2.805 0 50 DFAA C[C@@H]1CN(CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](C)O1 20572429 RUZKNNPQFKRHAI-NXEZZACHSA-N 300.761 2.527 0 50 DFAA c1ccc(Cn2[nH]nnc2=NCc2coc3ccccc23)cc1 2325866067 ZSVNZNOPHXJRPM-UHFFFAOYSA-N 305.341 2.502 0 50 DFAA C[C@@H]1CCc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)C1 120586 ZQGWLNCQRUXCJR-SECBINFHSA-N 315.398 2.619 0 50 DFAA CCO[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 858566 IZILJJGONAYQBT-KGLIPLIRSA-N 317.838 2.966 0 50 DFAA CCCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CCCC2 1813302 CHCKCIKQXZSZGT-UHFFFAOYSA-N 319.382 2.623 0 50 DFAA Cc1ncccc1CN1CCC[C@@]12CCCN(C(C)C)C2=O 2356139992 PESVXFBJOOAJHW-SFHVURJKSA-N 301.434 2.755 0 50 DFAA O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 2964175 POYOSCBQCHVPRA-GFCCVEGCSA-N 304.365 2.628 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@H]1O 104236204 HAOKOWUZLBYDOR-IACUBPJLSA-N 311.809 2.869 0 50 DFAA CCCn1ncc(C(=O)NC[C@H]2OCCc3ccccc32)c1C 65381857 JKDHACGESIXQOO-QGZVFWFLSA-N 313.401 2.645 0 50 DFAA CC(C)c1nc(CNC(=O)c2ccc(-c3ccncc3)nc2)no1 67770273 ZYCYWLKKHLDBOB-UHFFFAOYSA-N 323.356 2.580 0 50 DFAA CC[C@H](NC(=O)N1C[C@@H](F)C[C@H]1CO)c1ccc(F)cc1F 347317704 VLLVTEIYQYLMQE-MJVIPROJSA-N 316.323 2.530 0 50 DFAA C[C@H]1CN(C(=O)c2cccnc2)C[C@@H](C)N1C(=O)OC(C)(C)C 112842501 XUUMESOJZJSAQM-BETUJISGSA-N 319.405 2.552 0 50 DFAA COC(=O)c1cc(C(=O)OC)n(Cc2ccc(F)cc2)c1C 8873654 BZKOSMWDWCMNAZ-UHFFFAOYSA-N 305.305 2.557 0 50 DFAA Cc1cccc(C(=O)NC[C@@H]2CCN(CCC(F)(F)F)C2)c1 67726786 DXHHOCZIQOPPND-ZDUSSCGKSA-N 314.351 2.999 0 50 DFAA Cc1nc(-c2ccc(C(=O)N[C@@H]3CC[C@@H](CN)C3)cc2)cs1 423747639 QNMONXKSCXRVCX-IUODEOHRSA-N 315.442 2.976 0 50 DFAA CN1CCC(Cc2noc(-c3cccc(-n4cccn4)c3)n2)CC1 67770147 NLHCUQNKOQWYFM-UHFFFAOYSA-N 323.400 2.807 0 50 DFAA O=C(CCN1CCO[C@H]2CCCC[C@H]21)N1CCc2ccccc21 230136058 ICCDHXUPESLVLR-MSOLQXFVSA-N 314.429 2.609 0 50 DFAA COCc1nc(CN2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)cs1 252514787 DVQAGTAMUNRZLR-UBHSHLNASA-N 324.446 2.596 0 50 DFAA c1ncc(CN(Cc2ccsc2)[C@H]2CCCNCC2)cn1 328647158 TUJUJVJIUQDSBG-INIZCTEOSA-N 302.447 2.682 0 50 DFAA CCc1nc(C)sc1C(=O)NC[C@H](C)n1nc(C)cc1C 215087943 OIOCWBLEUUFARE-NSHDSACASA-N 306.435 2.818 0 50 DFAA CCN(CC)c1ccc(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)cn1 331209433 GSXRPUTZWSAKDN-GDBMZVCRSA-N 305.422 2.927 0 50 DFAA CCc1nnc(CNC(=O)c2cn(C)c3ccccc23)s1 359708840 JZVYVGNHXGNNSL-UHFFFAOYSA-N 300.387 2.522 0 50 DFAA O=C(NCC1CCN(c2ccncc2)CC1)C1CCCCC1 70928317 IBAJYFDICHSTSD-UHFFFAOYSA-N 301.434 2.995 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC[C@H]2CCNC2)[C@@H](C)CO1 261829130 JAYUVCMGTUZFFQ-BQFCYCMXSA-N 316.445 2.673 0 50 DFAA C[C@@H]1CCCCN1C1CN(Cc2ccc(-n3cccn3)cc2)C1 72162309 RGPMZOSERRJCSK-MRXNPFEDSA-N 310.445 2.931 0 50 DFAA COc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 36356919 ONSIRHXMFIIHDL-LLVKDONJSA-N 305.359 2.651 0 50 DFAA COCC[C@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc12 71614416 VSIDWQHJXNZSFF-CYBMUJFWSA-N 301.390 2.903 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2cccc3[nH]ccc23)C1 284516182 INJLVQQDLYIFJV-CJNGLKHVSA-N 311.389 2.556 0 50 DFAA Cc1[nH]nc(C(=O)N(CCN(C)C)C2CCCCC2)c1Cl 426593675 JXZWKYMOKWOKCT-UHFFFAOYSA-N 312.845 2.708 0 50 DFAA O=C(CCc1ccco1)N1CCC[C@@H](OCc2ccccn2)C1 82127155 QKFHQCIUZPDPQE-QGZVFWFLSA-N 314.385 2.815 0 50 DFAA CCn1c(CNC(=O)c2ccn(C(F)F)n2)nc2ccccc21 221213204 RFXRKDWIZIIPRM-UHFFFAOYSA-N 319.315 2.578 0 50 DFAA C[C@H](NC(=O)c1cnc(-c2ccccn2)nc1O)C1=CCCCC1 91649859 BCDOPIAORFWPQB-LBPRGKRZSA-N 324.384 2.863 0 50 DFAA CCC1=NO[C@@H](CNC(=O)c2cnc(C)nc2-c2ccccc2)C1 426621604 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O[C@H]1C[C@@H](c2cc(NCc3ccccc3-n3cccn3)ncn2)C1 243932086 BSKSDONXUHYKOG-GASCZTMLSA-N 321.384 2.513 0 50 DFAA Cc1cc(=O)c(C(=O)O)c(C)n1CCc1c[nH]c2ccccc12 299772552 BFGNXCJFWUYJMV-UHFFFAOYSA-N 310.353 2.887 0 50 DFAA CC(C)Cn1cncc1CNC(=O)c1cc(O)nc2ccccc12 821502182 RBINFXQQXHOVOL-UHFFFAOYSA-N 324.384 2.723 0 50 DFAA Cc1cc(C)n(CCCN(C)[C@@H](C)Cn2nc(C)cc2C)n1 670453134 RCWUXQRKMFJJPF-KRWDZBQOSA-N 303.454 2.724 0 50 DFAA O=c1c2ccncc2ncn1[C@@H]1CCCN(Cc2ccccc2)C1 584891072 RJWVYPWYPMEFRR-MRXNPFEDSA-N 320.396 2.629 0 50 DFAA Cc1cccc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1F 584887841 SXWIWGAFANMOCH-CYBMUJFWSA-N 318.392 2.655 0 50 DFAA C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1ncc[nH]1 1412536262 XMVDQBNBSAQYKN-SNVBAGLBSA-N 311.307 2.718 0 50 DFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1nn(C)cc1Br 239305989 GHCBYNTZZOJEPD-WCABBAIRSA-N 314.227 2.737 0 50 DFAA CCCC1CCC(N(C)C(=O)C2CCS(=O)(=O)CC2)CC1 408347903 CDALWTZVYWJTGF-UHFFFAOYSA-N 315.479 2.629 0 50 DFAA O=C(NS(=O)(=O)C1CCC1)c1cc(Cl)cc(Cl)c1 408482008 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CC[C@H](N)C(=O)N1CCC(CCc2ccc(OC)cc2)CC1 195542260 DYTLLLOCMNYYHS-KRWDZBQOSA-N 304.434 2.604 0 50 DFAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3ccnc(-c4ccccc4)c3)C[C@@H]21 1615548494 STGLITLBQNHZNG-XLAORIBOSA-N 321.424 2.738 0 50 DFAA CCCS(=O)(=O)N1CCOc2c1cccc2C(F)(F)F 1616031372 SKTCZYZAJNZGJL-UHFFFAOYSA-N 309.309 2.644 0 50 DFAA COc1ccc(-c2c(C)nn(C)c2NC(=O)c2ccno2)cc1 1506396524 CBENGKQMVNTJRE-UHFFFAOYSA-N 312.329 2.644 0 50 DFAA CCc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)s1 1529198653 KSVLJDYJJUZGOR-UKRRQHHQSA-N 316.426 2.693 0 50 DFAA O[C@]1(CNc2ncc(Cl)cc2Br)CCSC1 225596144 VXCGKIYESZOLMT-JTQLQIEISA-N 323.643 2.777 0 50 DFAA CNCC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 237269898 ZSYLJMVJXBZYOB-CQSZACIVSA-N 311.223 2.626 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(C)nc3C)C[C@@H]21 1704341605 XRBBATHFLGTVMO-UWWQBHOKSA-N 302.418 2.712 0 50 DFAA O=S(=O)(NCc1ccccn1)c1ccc(Cl)cc1Cl 11566455 DTIPXQWVTMAKQO-UHFFFAOYSA-N 317.197 2.867 0 50 DFAA Cc1cc(C)n(CCNc2nncc(-c3ccccc3F)n2)n1 11932689 IQPQNHVJSREUAZ-UHFFFAOYSA-N 312.352 2.603 0 50 DFAA OCCn1nc(C2CCCC2)nc1-c1cccc(-c2ncc[nH]2)c1 1857719526 OWDDBOYVPOPHRU-UHFFFAOYSA-N 323.400 2.985 0 50 DFAA Cn1cncc1CCSc1nnc(-c2cccs2)n1C 352146071 OXXIBBZCXYTKHQ-UHFFFAOYSA-N 305.432 2.612 0 50 DFAA CC1(C)C[C@H](NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)CO1 617051736 RMYULSWKAUGRGA-LBPRGKRZSA-N 319.792 2.823 0 50 DFAA OC[C@H](CN1CCCCC1)Nc1cnc2cc(Cl)ccc2n1 624209449 DSKKJLAOGIWJJK-ZDUSSCGKSA-N 320.824 2.542 0 50 DFAA C=CC(=O)N(C)CC(=O)Nc1cc(OC)c(Cl)cc1C1CC1 862146711 QNGKAMPLVFHYGU-UHFFFAOYSA-N 322.792 2.809 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccccc1 952888173 LSDTZRBIHDCCQY-UKPHBRMFSA-N 313.401 2.858 0 50 DFAA C[C@H]1CCCN(CCNC(=O)c2cccc([C@]3(C)CCO3)c2)C1 1875274891 YDFSINKVGKVFMP-KXBFYZLASA-N 316.445 2.784 0 50 DFAA COc1cc(C)cc(C)c1[C@H](C)NC(=O)NC[C@@]12COC[C@@H]1C2 1875300631 LICTYTWEXYNWEL-DEYYWGMASA-N 318.417 2.709 0 50 DFAA C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1c(O)cc(F)cc1F 1775999052 PEDKYCCPKWYMOZ-GXSJLCMTSA-N 315.316 2.583 0 50 DFAA CSC(C)(C)[C@H](N)C(=O)NCc1ccc2c(c1)CCCC2 2100556704 PQTBAPXYZLCBCF-OAHLLOKOSA-N 306.475 2.651 0 50 DFAA Fc1ccccc1COC1CN(Cc2ccc3nonc3c2)C1 2325860403 HMHYMIGVJRQMCS-UHFFFAOYSA-N 313.332 2.763 0 50 DFAA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)NC(=O)N1 178333 CRDQPJJTWWFHIE-AWEZNQCLSA-N 306.337 2.653 0 50 DFAA COc1cc(C(=O)NCc2ccc(C)cc2)cc(OC)c1OC 362512 MSIQASKVKOAQCS-UHFFFAOYSA-N 315.369 2.951 0 50 DFAA biogenic CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc2ncnn12 2356135335 ZPMRNAQEBBIBBD-UHFFFAOYSA-N 318.384 2.751 0 50 DFAA CC(C)(C)NC(=O)C(=O)NCc1ccc(Cl)cc1Cl 2498119 LEWOCOSQTPZIFS-UHFFFAOYSA-N 303.189 2.524 0 50 DFAA Cc1nc2ccnn2c(N[C@@H](C(=O)N(C)C)c2ccccc2)c1C 2356168012 LZVNZSPIOUEBHB-MRXNPFEDSA-N 323.400 2.588 0 50 DFAA CCOCCCNC(=O)Cc1ccc(Br)cc1 4472812 YSSQGHPNGFVWOG-UHFFFAOYSA-N 300.196 2.534 0 50 DFAA C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1F)c1ccccc1 4866380 RDFSGTZJVSQGGO-JTQLQIEISA-N 304.296 2.781 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccnc1 4970401 SPVKXHSDLKNFAH-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA O=C(O)CCSc1nc2ccc(Br)cc2[nH]1 6529656 HOZIZHLTEQHZBJ-UHFFFAOYSA-N 301.165 2.892 0 50 DFAA O=C(NCCSc1ccccc1)c1ccc(-n2cnnc2)cc1 6702659 COUKMXSECMZNFJ-UHFFFAOYSA-N 324.409 2.789 0 50 DFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C 6706748 YBZAIUMRPHGCLV-UHFFFAOYSA-N 321.354 2.503 0 50 DFAA Fc1cc(N2CC[C@@H](NCC3=CCCOC3)C2)ccc1Cl 133002807 ZHKKDSCWWURVQM-CYBMUJFWSA-N 310.800 2.994 0 50 DFAA C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cnn2c1CCCC2 133000463 UNKBMOXUPWKHFE-RISCZKNCSA-N 319.430 2.523 0 50 DFAA Cc1csc([C@@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)n1 111211881 HCVKWXTUYJUONE-INIZCTEOSA-N 316.426 2.960 0 50 DFAA FC(F)(F)c1ccc(CN2CC[C@H](NCc3ncc[nH]3)C2)cc1 114507990 LCRJZLJALNSDGB-AWEZNQCLSA-N 324.350 2.793 0 50 DFAA Cc1ccnc2c(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cccc12 100591005 OMDOANCHDHLPKH-APYUEPQZSA-N 304.349 2.855 0 50 DFAA CNc1ccccc1C(=O)N(Cc1ccccc1)C[C@H](C)CO 55244296 JNXISSGUZKSKHP-HNNXBMFYSA-N 312.413 2.999 0 50 DFAA CC[C@]1(CO)CCCN1Cc1cc2ccc(C)cc2[nH]c1=O 67821548 JWKKINSZYDUECB-GOSISDBHSA-N 300.402 2.573 0 50 DFAA CCOCCN1CCN(CCO[C@@H]2CCCC[C@H]2C)C[C@@H]1C 248320177 RXWJSLAOXPJWEO-FGTMMUONSA-N 312.498 2.624 0 50 DFAA C[C@@H]1CCN([C@H]2CCc3ccccc3NC2=O)C[C@H]1n1ccnc1 248916731 ZZQWLAJPFSNDRM-FHLIZLRMSA-N 324.428 2.720 0 50 DFAA Cc1cc(=O)oc2cc(CN(Cc3nccn3C)C3CC3)ccc12 67743639 MRPATHMZEBSNSI-UHFFFAOYSA-N 323.396 3.000 0 50 DFAA c1cncc(OCCCNC[C@@H]2CCCN3CCCC[C@H]23)c1 65406952 AKRVHJUDGZZINK-FUHWJXTLSA-N 303.450 2.705 0 50 DFAA CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2ccccn2)cc1 352153892 KYSYUZFODXPLPV-UHFFFAOYSA-N 306.325 2.927 0 50 DFAA Cc1cc(NC(=O)c2ccnn2C)ccc1NC(=O)c1ccco1 122927024 AQQQDVQESZVUEY-UHFFFAOYSA-N 324.340 2.826 0 50 DFAA Cc1nn(CCO)c(C)c1CN[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229648387 SMVAOUUSDQMEEW-UWWQBHOKSA-N 305.466 2.797 0 50 DFAA CCn1nccc1CN(C)C(=O)c1cc(-c2cccs2)on1 2803137 QAXJSMWJNFGQLX-UHFFFAOYSA-N 316.386 2.892 0 50 DFAA COC(C)(C)CC(=O)N1CC[C@H](C(F)(F)F)n2nc(C)cc21 425576685 DWTMWNFJGVPUCL-SNVBAGLBSA-N 319.327 2.847 0 50 DFAA C[C@@H]1[C@@H](OC(=O)C2CCC(C(N)=O)CC2)C[C@H]2C[C@H]1C2(C)C 121747749 XNOUHVRGVWZJNS-PTDAVJQHSA-N 307.434 2.892 0 50 DFAA Cc1cc(C)n(CCCNC(=S)NCc2ccccc2)n1 7661234 XWHOQPJUEOFKPO-UHFFFAOYSA-N 302.447 2.554 0 50 DFAA O[C@H]1CCOc2c(NCc3ncn(-c4ccccc4)n3)cccc21 253420015 TUTCKACVNSQKSG-INIZCTEOSA-N 322.368 2.695 0 50 DFAA O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CCCOC1 153767847 ZOKZBZCPEYMRQM-MRVPVSSYSA-N 313.279 2.947 0 50 DFAA CC(C)n1c(CNC(=O)[C@](C)(O)C2CCC2)nc2ccccc21 362804914 IHNBHKOHQOIFSB-GOSISDBHSA-N 315.417 2.785 0 50 DFAA COCc1cc(CN(C)[C@@H](C)c2ccncn2)ccc1OC 215924784 WNCSGZMWMKIZOF-ZDUSSCGKSA-N 301.390 2.825 0 50 DFAA c1ccc([C@H]2CN(c3cnccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72174151 ZVGXIZDJCLVMRA-BHIYHBOVSA-N 306.413 2.543 0 50 DFAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc2cc(C)oc12 219571136 AYGMROPWXNZTFF-HUUCEWRRSA-N 303.358 2.665 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@@]2(CCOC2)O1 241774076 RMXRNELFSVHTJO-SJKOYZFVSA-N 315.373 2.580 0 50 DFAA COc1ccc2ccccc2c1CNC(=O)N1CC[C@@](C)(O)C1 242100081 WEFPDYHENYCYAW-GOSISDBHSA-N 314.385 2.515 0 50 DFAA CC[C@H]1CN(C(=O)Cc2ccc(N(C)C)cc2)CCN1C(C)C 82121054 WEBWEENAFUEQMM-KRWDZBQOSA-N 317.477 2.626 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1 40286830 SFKVENZOTMGPKG-LBPRGKRZSA-N 320.776 2.618 0 50 DFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(C)C)no1 222413810 ZJEIVYPTNQHUFN-CZUORRHYSA-N 322.405 2.668 0 50 DFAA Cc1nc(C)c(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)o1 286642275 TZPHOYOVEAJYKI-UHFFFAOYSA-N 321.421 2.545 0 50 DFAA Cn1ccc2c(C(=O)NCc3ccc(C(=O)O)cc3)cccc21 49543708 OGEPSAZZTXQECM-UHFFFAOYSA-N 308.337 2.807 0 50 DFAA biogenic O=C(C[C@H](c1ccccc1)c1ccco1)NCc1ccncn1 19782199 SNQKQFUEKSDCLM-MRXNPFEDSA-N 307.353 2.908 0 50 DFAA OCCn1ccc([C@H]2CCCN(C/C=C/c3ccccc3)C2)n1 426383336 RFSIFIAJYGTLRC-PYJQOMOHSA-N 311.429 2.768 0 50 DFAA Cc1ccccc1-n1cc(C(=O)N2CC[C@H]2C(F)(F)F)cn1 615033580 PBORYLIODLHOGD-ZDUSSCGKSA-N 309.291 2.958 0 50 DFAA COCc1ccc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 97698618 GEWKWFZWQWLPFS-INIZCTEOSA-N 315.417 2.874 0 50 DFAA Cc1ccsc1CN(CCN(C)C)C(=O)[C@H]1CCCCO1 97653944 JJYSIGZKJJIHSO-CQSZACIVSA-N 310.463 2.516 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)c3ccc4cccc(F)c4n3)C2)n1 91964709 NVYWLJKLLRDJER-UHFFFAOYSA-N 324.359 2.884 0 50 DFAA CCc1csc(CNC(=O)[C@@H]2COc3ccccc3C2)n1 92028456 VTOFUFJNNSTRLY-LBPRGKRZSA-N 302.399 2.573 0 50 DFAA Cc1nc2ccc(-n3ncnc3CCc3cnccn3)cc2s1 96152278 XRYMIQCGHLYUFU-UHFFFAOYSA-N 322.397 2.761 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)NC[C@@H](CO)Cc1ccco1 91574795 LSLHGIOEHWBHLY-LBPRGKRZSA-N 322.430 2.749 0 50 DFAA CC1(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)COC1 252489019 JDRINEJQXKVATC-MRXNPFEDSA-N 320.408 2.505 0 50 DFAA COc1c(C)cnc(CN(C)C(=O)c2cnc(C)s2)c1C 299705790 SDAIJUFUURJRPN-UHFFFAOYSA-N 305.403 2.744 0 50 DFAA CC[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1nccs1 449909134 YMTZXWKIXVQWIY-NSHDSACASA-N 304.419 2.637 0 50 DFAA Cc1ccc([C@H](CNC(=O)c2cc(C)n(C)c2C)N(C)C)cc1 299353240 OLGQCSKHYFRKFQ-SFHVURJKSA-N 313.445 2.983 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N[C@@H](c1nccn1C)C1CC1 299775693 HDULWLNFMWUBAJ-CQSZACIVSA-N 321.327 2.588 0 50 DFAA CCc1ccc(CNCc2csc(-c3cnccn3)n2)nc1 952985302 RTTSLMZVXLBESS-UHFFFAOYSA-N 311.414 2.847 0 50 DFAA CC(=O)N1CCN(C(=O)c2ccc(Cl)o2)CC12CCCCC2 270867388 FVJPBZSITHRRCR-UHFFFAOYSA-N 324.808 2.940 0 50 DFAA CCC(O)(CC)CNC(=O)N[C@@H]1CCOC2(CCCCC2)C1 170047459 AJRBINFMMJBPQB-CQSZACIVSA-N 312.454 2.719 0 50 DFAA CC(=O)NCCCNC(=O)N1CCCC2(CCCCC2)CC1 188650219 YCRQZXHCLSKWOU-UHFFFAOYSA-N 309.454 2.659 0 50 DFAA CCOC(=O)c1nc2ccccc2cc1NC(=O)[C@H](CC)OC 585125197 JZNLHKSHFRKOAL-AWEZNQCLSA-N 316.357 2.775 0 50 DFAA CN1CC[C@H](N(C)C(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 585113859 FGEWLZGEZXXBLB-ZDUSSCGKSA-N 319.792 2.771 0 50 DFAA CCOc1c(F)cccc1C(=O)N1CCC[C@H](CC(=O)O)CC1 585655680 ZDAYWTNBAKWAOJ-LBPRGKRZSA-N 323.364 2.941 0 50 DFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccccc3Cl)CCN21 1615737129 NYDRYDSBIXDLOG-KGLIPLIRSA-N 322.836 2.665 0 50 DFAA N[C@H]1CN(Cc2cc(Br)cs2)CC12CCC2 1875272578 JYJFABYZRWSWEB-NSHDSACASA-N 301.253 2.824 0 50 DFAA CCN1CC[C@H](NC2CCN(c3ccc(F)c(F)c3)CC2)C1 1506415635 ZUJOYZYWCUVXFR-AWEZNQCLSA-N 309.404 2.617 0 50 DFAA O[C@H]1CN(c2ncccn2)CC[C@@H]1c1ccc2ccccc2c1 210164365 CTIMOJQJWMFUSO-MSOLQXFVSA-N 305.381 2.985 0 50 DFAA c1ccc2oc(C3CCN(CC[C@H]4COCCO4)CC3)nc2c1 1775983976 FKJDKYQHAPPREU-HNNXBMFYSA-N 316.401 2.813 0 50 DFAA Cn1cccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1 19789515 WHRYIUBUHHUKND-UHFFFAOYSA-N 317.820 2.637 0 50 DFAA CCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 44471 CIHOEPYQQOYCAK-UHFFFAOYSA-N 316.353 2.922 0 50 DFAA biogenic O[C@@](Cc1ccccc1Cl)(Cn1cncn1)C1(Cl)CC1 6095349 HHUQPWODPBDTLI-AWEZNQCLSA-N 312.200 2.677 0 50 DFAA biogenic,in-vitro CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)O)C(C)C)cs1 22008472 OSQWRZICKAOBFA-NSHDSACASA-N 313.423 2.517 0 50 DFAA in-vitro NC(=O)[C@@H]1CN(Cc2ccc3occc3c2)C[C@H]1C(F)(F)F 367674886 XBBVVRNBHAVSRQ-VXGBXAGGSA-N 312.291 2.528 0 50 DFAA CC[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 378158117 KVDSXGYQLFOZKM-ROUUACIJSA-N 316.445 2.550 0 50 DFAA CC(=O)N1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)C[C@@H]2CC1 585087829 VHOJHYCPWOQPOH-CALCHBBNSA-N 314.429 2.634 0 50 DFAA CCOC(=O)c1cc(NC(=O)[C@@H](CC)OC)c2ccccc2n1 585086564 FCAVESNKNGJFHF-OAHLLOKOSA-N 316.357 2.775 0 50 DFAA Cc1cnc(C(=O)N2CCC(=O)N(C)c3ccccc32)cc1C 933220274 YSGZBONLBRDHFC-UHFFFAOYSA-N 309.369 2.712 0 50 DFAA CC(C)(C)c1nsc(NC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)n1 1119767953 AWTOKSDGUADFPZ-AXFHLTTASA-N 322.434 2.548 0 50 DFAA CN(Cc1sc(N2CCCC2)nc1Cl)C[C@H]1CCOC1 952880341 CSGAGJYEYDCWCZ-LLVKDONJSA-N 315.870 2.865 0 50 DFAA Cn1ncc2c1CN(C(=O)C[C@@H](c1ccccc1F)C(F)F)C2 1875283906 HDMDCRWBHHGZMU-LBPRGKRZSA-N 323.318 2.840 0 50 DFAA Cc1cccc([C@H](CN)C(=O)N2CCC[C@@]23CCCSC3)c1 1875292669 PBXCYEYACNPYKV-WMZOPIPTSA-N 318.486 2.926 0 50 DFAA COC(=O)[C@@H]1CCCc2cc(OC[C@H]3C[N@]3CC3CC3)ccc21 1875385691 ZBQFORAGRYEZIS-ZTNFWEORSA-N 315.413 2.753 0 50 DFAA CCC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CCC3)CCN1 895056566 AJCDYTGJIVDHJR-OAHLLOKOSA-N 323.444 2.606 0 50 DFAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccn3)ccc12 48966 WFPCUYQFVOZLOQ-UHFFFAOYSA-N 310.309 2.514 0 50 DFAA biogenic COc1ccc([C@H]2C[C@H](c3cccnc3)Nc3ncnn32)cc1 221726 ILEGUXVVQLBJKW-HZPDHXFCSA-N 307.357 2.828 0 50 DFAA O=C(C[C@@H](c1ccc(F)cc1)c1ccco1)N1CCOCC1 549148 LQKHTOUIMCXWHB-HNNXBMFYSA-N 303.333 2.800 0 50 DFAA O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1C(=O)O 615907 URCMCAGJCXKTIR-LSDHHAIUSA-N 314.385 2.718 0 50 DFAA COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 1070753 MXOIKHJQLJYDIN-ZDUSSCGKSA-N 311.337 2.941 0 50 DFAA NCCCc1nc2cc3sc(CCCN)nc3cc2s1 2981216 YBOLUILGCXAJGK-UHFFFAOYSA-N 306.460 2.689 0 50 DFAA Cc1ccccc1OCC(=O)NCc1nc(-c2ccccc2)no1 4868155 QZXKIHPDXSXIQQ-UHFFFAOYSA-N 323.352 2.740 0 50 DFAA CCc1ccc([C@H](C)NC(=O)C2CN(CC(F)(F)F)C2)cc1 225412426 FKAXUCNZKNWEOP-NSHDSACASA-N 314.351 2.920 0 50 DFAA CCOc1ccc(OCCOCCN2C[C@H](C)O[C@@H](C)C2)cc1 20168221 JVHKXRHUJNQAKG-HOTGVXAUSA-N 323.433 2.590 0 50 DFAA Cc1ccc(-c2cc(O)c3c(c2)CN(CCO)CCO3)s1 67934137 JBCDBHBKVXPDQK-UHFFFAOYSA-N 305.399 2.616 0 50 DFAA OCc1ccccc1C1CCN(CCO[C@@H]2CCCCO2)CC1 365196992 KPFNCYMHEYCRCW-LJQANCHMSA-N 319.445 2.902 0 50 DFAA C[C@@H](NC(=O)c1cccn(C)c1=O)c1nc(C(C)(C)C)cs1 330649774 KZUNLJXHAXQAQE-SNVBAGLBSA-N 319.430 2.630 0 50 DFAA CCOC(=O)CCC[C@H](C)N[C@H]1CCCCC[C@H]1C(=O)OC 253369756 HVCQZPADCKESHR-ZNMIVQPWSA-N 313.438 2.820 0 50 DFAA OC[C@@H]1CCCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 11765212 KUVXPWQWJDRLPL-CQSZACIVSA-N 320.396 2.901 0 50 DFAA [N-]=[N+]=NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 219056924 PGMXKWFQJBIFPU-LBPRGKRZSA-N 306.322 2.847 0 50 DFAA O=C(c1ccncn1)N1CC(OCc2cccc3ccccc23)C1 427228403 VPSLPRGWIABHQJ-UHFFFAOYSA-N 319.364 2.671 0 50 DFAA C[C@H]1CN(C(=O)c2cccc(CCC(C)(C)O)c2)C[C@@H](C)O1 72439549 QKCJQSIXAYZSPV-OKILXGFUSA-N 305.418 2.640 0 50 DFAA Cc1nsc(C)c1-c1noc([C@H]2CC(=O)N(C(C)(C)C)C2)n1 330216080 HLTMVKDGEZFVJY-JTQLQIEISA-N 320.418 2.924 0 50 DFAA Oc1nnc2n1CCN(Cc1nc(C3CCCCC3)cs1)C2 328599685 CIVYJOVGXFFUDS-UHFFFAOYSA-N 319.434 2.504 0 50 DFAA O=S1(=O)CC[C@@H](CN2CCC[C@@H]2/C=C/c2ccccc2)C1 253432809 OKTRIMSAMADNPG-IBHATUTGSA-N 305.443 2.599 0 50 DFAA O=C1NC(=O)[C@@](c2ccccc2)(c2cccc3ccccc23)N1 71767009 XXUAKQRCRCHIEW-LJQANCHMSA-N 302.333 2.923 0 50 DFAA CC(=O)N[C@H]1Cc2ccccc2N(Cc2ncc(C3CC3)o2)C1 362067206 PJMCJCYXTNCDIB-HNNXBMFYSA-N 311.385 2.619 0 50 DFAA O=C([C@@H]1CCOC1)N1CCCc2c(Br)cccc2C1 364046777 FNSRKKCDFJRQBJ-GFCCVEGCSA-N 324.218 2.760 0 50 DFAA O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC2(CCNCC2)CC1 71762643 WBRJODVWFKPRAO-UHFFFAOYSA-N 324.428 2.683 0 50 DFAA Cc1ccc(OC[C@H](O)CN[C@H](C)CC(F)(F)F)c(C)c1 32518047 XKTIWABYXSGJJR-CHWSQXEVSA-N 305.340 2.974 0 50 DFAA Cc1ncc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)s1 72473333 VTHSIMPVOFTBGM-UHFFFAOYSA-N 319.405 2.549 0 50 DFAA C[C@H](NC(=O)Cc1nc2ccccc2[nH]1)c1ccc(O)c(F)c1 71278939 ZXHNBCHFPZTBEP-JTQLQIEISA-N 313.332 2.828 0 50 DFAA O=C(Cc1ncccc1F)N1CC[C@H](n2cc3ccccc3n2)C1 376442484 QMODDWYPCCINGH-AWEZNQCLSA-N 324.359 2.587 0 50 DFAA CO[C@H](C(=O)Nc1nc(-c2ccccc2)nn1C)c1ccccc1 239366959 AGYFSNSGSIDEIF-HNNXBMFYSA-N 322.368 2.808 0 50 DFAA COc1cc(NC(=O)NCC(F)(F)F)cc(-n2cccn2)c1 241515735 OHONXMYNBJMIPJ-UHFFFAOYSA-N 314.267 2.565 0 50 DFAA CCOC(=O)CC[C@@H]1CCC(=O)N1Cc1ccc(OC)cc1 44126635 NWFWSEDQXIMDCB-AWEZNQCLSA-N 305.374 2.530 0 50 DFAA CCOc1ccc([C@@H](COC)NC(=O)N2C[C@H]3CC[C@H]2C3)cc1 242389500 ZXRZXFRUDCVOCH-JLJPHGGASA-N 318.417 2.967 0 50 DFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)Cc1cc(F)ccc1F)C2 174182496 WZWBZKMHHKAYAF-GJZGRUSLSA-N 308.372 2.639 0 50 DFAA CCCc1cc2c(=O)n([C@@H](C)Cn3cccn3)cnc2s1 42451634 JNSMBZBBIQWRSK-NSHDSACASA-N 302.403 2.868 0 50 DFAA O=C([C@@H]1CC=CCC1)N1CCC(OCc2cccnc2)CC1 82161927 BDIKHFHDBKHHGH-MRXNPFEDSA-N 300.402 2.946 0 50 DFAA COc1ccc(C(=O)NCCc2nccc(-c3ccccc3)n2)o1 223308178 MSQUWHQIGPXNBM-UHFFFAOYSA-N 323.352 2.718 0 50 DFAA CCSc1ccc(C(=O)N2Cc3nnc(C)n3[C@@H](C)C2)s1 96153282 UDTKVTJDKGNRRO-VIFPVBQESA-N 322.459 2.977 0 50 DFAA CC(C)c1noc([C@H]2CCCN2C(=O)c2ncc(F)cc2F)n1 91575222 VXBSOSOQCRDHQB-LLVKDONJSA-N 322.315 2.844 0 50 DFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2cc(C)c[nH]2)C1 91595904 HGVNGFYDRJGGIU-QGZVFWFLSA-N 304.390 2.986 0 50 DFAA Cc1nc(-c2ccc(NC(=O)COCc3ccccc3)cc2)n[nH]1 338107868 UGSNRZAEKNDXBF-UHFFFAOYSA-N 322.368 2.935 0 50 DFAA CCOCC1CCN(C(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 95374450 QDTFNHYDFJKPBN-KRWDZBQOSA-N 322.424 2.704 0 50 DFAA CN(CCCNC(=O)[C@H]1CCCCCN1C)c1ccccc1 95371734 AZNNZPBYQWONHT-QGZVFWFLSA-N 303.450 2.504 0 50 DFAA Cc1nc(C[C@H]2CCCN(c3nccc(C(C)(C)C)n3)C2)no1 292699026 GOXYGCCMJIUGHT-CYBMUJFWSA-N 315.421 2.925 0 50 DFAA COCC1(CNC(=O)COc2ccc(F)c(Cl)c2)CCC1 337152416 KXHQMXULKUASNV-UHFFFAOYSA-N 315.772 2.791 0 50 DFAA Cc1ccc(C)n1CC(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12 334160322 AYCSMHCNADWSOC-ZWKOTPCHSA-N 317.477 2.828 0 50 DFAA CN1CCCC[C@H]1CCC(=O)NCCCn1nccc1C1CC1 95363323 XIGLPOZZBQNPAK-INIZCTEOSA-N 318.465 2.531 0 50 DFAA CCc1sc(-n2cccc2)nc1C(=O)n1nc(C)cc1C 96511586 OXXCZFBLROZLLZ-UHFFFAOYSA-N 300.387 2.998 0 50 DFAA CC[C@@H](CNc1nnc(-c2ccccc2)s1)N1CCOCC1 534675281 VESMTEVGYNBJAH-AWEZNQCLSA-N 318.446 2.728 0 50 DFAA CC(C)(C)c1csc(CNC(=O)CCCn2ccnc2)n1 299781172 WMHWCGAPUUQQHP-UHFFFAOYSA-N 306.435 2.734 0 50 DFAA CC(C)COc1ccccc1NC(=O)N1CC[C@H]2CNC[C@H]21 299802464 WTXZLFCCNWFVKX-DZGCQCFKSA-N 303.406 2.547 0 50 DFAA CSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1c(F)cccc1F 824954831 RFESEYQZAOXSJZ-LURJTMIESA-N 323.324 2.656 0 50 DFAA CCCOC[C@H]1CCN(C(=O)c2cccc3c2CCC3=O)C1 584900939 VJTPHUOMETWNGO-ZDUSSCGKSA-N 301.386 2.704 0 50 DFAA CNC(=O)C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C1 670433951 QDPXMFGMDBIVLX-JTQLQIEISA-N 301.217 2.951 0 50 DFAA CCOC(=O)[C@](C)(NC(=O)[C@@H](C)c1cccs1)C(F)(F)F 1361970290 LODBJMALNBHDOR-UFBFGSQYSA-N 323.336 2.852 0 50 DFAA Cn1nccc1CCC(=O)Nc1cccc(CN2CCCC2)c1 952986029 CUROGTFREXQKDW-UHFFFAOYSA-N 312.417 2.587 0 50 DFAA Cn1nccc1C(=O)NCc1nc(-c2ccc(F)cc2)cs1 952966468 WLBZEZDFDZJJGV-UHFFFAOYSA-N 316.361 2.613 0 50 DFAA O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CCC=C(F)C1 272078437 JAROJWSJNXCZKG-UHFFFAOYSA-N 323.755 2.569 0 50 DFAA Cc1ccc(S(=O)(=O)Cc2nc(C(C)(C)C)no2)cc1C 276841130 CITAJBOSRSZBAZ-UHFFFAOYSA-N 308.403 2.958 0 50 DFAA O=C(N[C@@H]1CCCc2occc21)c1c[nH]nc1-c1ccncc1 170633639 FOGAHOJLVTZXIM-CQSZACIVSA-N 308.341 2.872 0 50 DFAA O=C(C[C@H]1C=CCC1)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCC1 634252088 WIHPJHDDUUCLFB-YVSFHVDLSA-N 314.429 2.511 0 50 DFAA CSC1(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 190458794 GIHBCIZZRHVNSN-HNNXBMFYSA-N 323.433 2.993 0 50 DFAA CN(C)C(=O)c1ccc(CN2CCC3(CCOCC3)CC2)cc1 585081360 LMZWJECVCLSAQT-UHFFFAOYSA-N 316.445 2.781 0 50 DFAA Cc1noc(C)c1C(=O)N1CCO[C@H](c2ccccc2)CC1 1615614718 ILRZTSVEJJRCOY-HNNXBMFYSA-N 300.358 2.895 0 50 DFAA CCN(CCN1CCCC1)C(=O)c1cc(Cl)ccc1NC 1506419220 YXQMXJNZAYYYDD-UHFFFAOYSA-N 309.841 2.940 0 50 DFAA CCC[C@H]1CN(Cc2csc(C(C)=O)c2)C[C@@H]1NC(C)=O 213269175 UUJMECGGQSSIRT-GJZGRUSLSA-N 308.447 2.687 0 50 DFAA CN(C)c1ccc(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cn1 1704340002 BGPASFGJBZQXBC-USTZCAOPSA-N 316.493 2.698 0 50 DFAA CC[C@]12C[C@@H]1CN(C(=O)c1cnn(-c3ccccc3OC)c1)C2 1772808031 FMFVYSCZNXJDAC-RDTXWAMCSA-N 311.385 2.753 0 50 DFAA CSc1nnc(CNC(=O)C(C)C)n1-c1ccccc1C 12245578 UVJLRBDZZPFHFX-UHFFFAOYSA-N 304.419 2.570 0 50 DFAA COC(=O)[C@@H]1[C@H]2CN(c3nc4cc(C(C)(C)C)ccc4o3)C[C@H]21 1857667765 JYFNOSFEVSRMHZ-JYAVWHMHSA-N 314.385 2.981 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(CSc3ccc(C)cc3)n2C1 601044835 RUOACKQGXQSGCP-GFCCVEGCSA-N 317.414 2.614 0 50 DFAA Cc1cc[nH]c1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 436140666 KJTNPYREISLUSX-UHFFFAOYSA-N 306.369 2.707 0 50 DFAA Cn1cc([C@H]2CCCCN2c2ncnc3c2ncn3C2CC2)cn1 333743031 WFXMMUCGAYKMGZ-CQSZACIVSA-N 323.404 2.626 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCCO1 342130183 LKVABIKCAYVVNW-KRWDZBQOSA-N 313.401 2.759 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C(=O)O)n1)[C@H](C)C2 262777779 LZAZSBVPGKERCF-BDJLRTHQSA-N 310.353 2.752 0 50 DFAA Cc1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)cn(C)c1=O 904750133 COHJNWYRAOGACK-ZDUSSCGKSA-N 317.360 2.915 0 50 DFAA O=C(O)CN1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704312512 SDLWGJLZMOTFFV-LJQANCHMSA-N 323.396 2.508 0 50 DFAA Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1CCCC(=O)N1C 907350965 XPDLIKYCWXBBJU-ZDUSSCGKSA-N 313.357 2.599 0 50 DFAA CNC[C@@H]1CCCN(C(=O)c2ccnc3cc(Cl)ccc23)C1 911634507 NSMWZVBOSDCHMX-LBPRGKRZSA-N 317.820 2.960 0 50 DFAA CSC[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 863948038 VSFWLDLNFPQCAH-JTQLQIEISA-N 310.419 2.975 0 50 DFAA CC(C)c1ccc(S(=O)(=O)N2CC(OC(C)(C)C)C2)cc1 1875356208 KLFOUODCYIWEHD-UHFFFAOYSA-N 311.447 2.998 0 50 DFAA COc1ccc(Cc2c(C)nc(SCCO)nc2C)cc1 1875365058 ZQGCGSFZTMEAMB-UHFFFAOYSA-N 304.415 2.777 0 50 DFAA CCC(F)(F)C(C)(C)CN[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875399684 HHGGUKBCOCEAIC-MGPQQGTHSA-N 315.408 2.684 0 50 DFAA Cc1noc([C@H]2OCC[C@H]2CNc2ncc(Cl)cc2F)n1 886095191 NOFLVFKPZFBNSV-KWQFWETISA-N 312.732 2.755 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc2cn[nH]c2c1 1430053 QRFQTPCPBVNNQX-UHFFFAOYSA-N 321.333 2.511 0 50 DFAA COC(=O)c1ccc(NC(=O)c2ccc3nnsc3c2)cc1 11692747 VIAMMTFDKOHMLQ-UHFFFAOYSA-N 313.338 2.730 0 50 DFAA CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 100537744 HACGAUBPDCHCOP-JURCDPSOSA-N 301.342 2.575 0 50 DFAA O=C(COc1ccccc1)Nc1ccc(N2CCOCC2)cc1 37873 ZQQOWEMMFOAYAQ-UHFFFAOYSA-N 312.369 2.541 0 50 DFAA NC(=O)c1cccc2c1C(=O)c1cc(Br)ccc1-2 1857795675 MLTVPJNAAPXCKL-UHFFFAOYSA-N 302.127 2.759 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 97619 RHQNHNCJJDZFBL-LSDHHAIUSA-N 313.353 2.709 0 50 DFAA CCOC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1 176848 CARWMPOXCAWJQA-UHFFFAOYSA-N 308.353 2.615 0 50 DFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(C(C)=O)CC2 182693 UWBKLOOWYKPXEL-SFHVURJKSA-N 312.369 2.593 0 50 DFAA COc1ccccc1[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 281024 GNWJPUGGMNOAHO-NVXWUHKLSA-N 322.364 2.865 0 50 DFAA biogenic COCCN1CCC[C@]2(CCCN2Cc2ccccc2C)C1=O 2356154175 LBXNEOGDCJUTLI-IBGZPJMESA-N 316.445 2.598 0 50 DFAA CCCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 4093651 UVJQVLFKFUGYJX-HNNXBMFYSA-N 318.373 2.666 0 50 DFAA O=C(O)[C@@H]1CCC[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 246842084 BDTHSAWIHTZPBR-XHSDSOJGSA-N 301.386 2.894 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)Cc2ccc(O)c(C(=O)O)c2)c1 63882347 QNCRIFXCXLOZML-ZDUSSCGKSA-N 314.385 2.857 0 50 DFAA CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2c[nH]nc2c1 171536481 PTDRJCBFPMKPNC-OAHLLOKOSA-N 314.389 2.683 0 50 DFAA CCn1cc(CN2CCCN(Cc3ccc(C)s3)CC2)cn1 121617679 DXRQUFKTKFQRMP-UHFFFAOYSA-N 318.490 2.981 0 50 DFAA CN1CCCC[C@@H]1CCn1cnc2cc(Cl)ccc2c1=O 32565420 HFQRZZACCFQRGK-CYBMUJFWSA-N 305.809 2.924 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)n1 331619534 OOAGMTYKFFBRHN-GOEBONIOSA-N 317.364 2.551 0 50 DFAA Cc1cc(C(=O)NCc2nnc(C)o2)c2ccc(C)c(C)c2n1 77390992 UCNLZKFMZNNBGJ-UHFFFAOYSA-N 310.357 2.781 0 50 DFAA CC(C)c1ccc(C(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 13136062 NVQVSCUMNRLGGC-GJZGRUSLSA-N 314.385 2.630 0 50 DFAA Cc1ccc(-c2n[nH]cc2CN2CC[C@H](c3nccn3C)C2)o1 367703086 MXNMHAHKRCPIFB-ZDUSSCGKSA-N 311.389 2.701 0 50 DFAA CCc1cnc(NC(=O)NC[C@]2(O)CCc3ccccc32)s1 127678657 AAGNDNDRSYSHAZ-MRXNPFEDSA-N 317.414 2.661 0 50 DFAA CCOc1ccccc1/C=C/C(=O)N1CCC[C@H]([C@@H](C)N)C1 236890235 QKVCWXDROXCACQ-AGEWCLKBSA-N 302.418 2.684 0 50 DFAA CN(C(=O)/C=C/c1ccccc1Br)C1CCNCC1 237095555 JUFFBNFTAZCEGD-VOTSOKGWSA-N 323.234 2.673 0 50 DFAA CN(C(=O)c1ccc(Br)cc1)[C@H]1CCCC[C@@H]1O 10543092 GHIWGGQXHIQCHW-STQMWFEESA-N 312.207 2.825 0 50 DFAA Cc1nc(CNC(=O)N[C@@H]2COc3ccccc3C2)sc1C 174312010 IQSCDLIOYRQOFW-ZDUSSCGKSA-N 317.414 2.563 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)Cc2cccc(F)c2F)C1 82108099 VCWPCFODLBELQQ-GFCCVEGCSA-N 308.372 2.593 0 50 DFAA COC[C@@H](NC(=O)c1nnc(C(C)C)s1)c1ccc(C)o1 241564197 OSDVXEFRALGOAT-SNVBAGLBSA-N 309.391 2.680 0 50 DFAA Cc1cc(C)c(CNC(=O)NCc2cc(C)nn2C)c(C)c1 285564932 VTOTYVHHPADFKW-UHFFFAOYSA-N 300.406 2.653 0 50 DFAA CC(C)[C@@H](NC(=O)N(C)Cc1nc[nH]n1)c1ccccc1Cl 458402179 VHNKSECUAAZUAO-CQSZACIVSA-N 321.812 2.997 0 50 DFAA O=C(CCc1ccncc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223908806 VSJWXKHRRWAYSK-AITUJVMLSA-N 314.429 2.724 0 50 DFAA CC(C)NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 49550663 RSEMIHPYZKTHJJ-UHFFFAOYSA-N 321.380 2.588 0 50 DFAA Cn1cccc1C(=O)NC1CCN(c2ccc(F)cc2)CC1 223121834 SLFQOCLIMCWGQL-UHFFFAOYSA-N 301.365 2.563 0 50 DFAA CCOc1ccc(C(=O)OCC(C)(C)CN2CCOCC2)cc1 96026555 YIZZSXZNFUHONY-UHFFFAOYSA-N 321.417 2.601 0 50 DFAA CCCOC[C@H]1CCN(C(=O)c2cc(C(C)C)nn2CC)C1 91725177 PIXOMRWGGOXWPP-AWEZNQCLSA-N 307.438 2.915 0 50 DFAA CSCC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1 95382545 FPWROVQNUNWPDB-AWEZNQCLSA-N 307.463 2.752 0 50 DFAA COc1ccc(CNC(=O)CCc2n[nH]c(C)c2C)c(F)c1F 97505210 DOZIIXJPOJXRHM-UHFFFAOYSA-N 323.343 2.562 0 50 DFAA CC(C)Oc1ccc(CCNC(=O)N2CCCC[C@@H]2CO)cc1 426412486 VEPSKTFAWPMNNL-MRXNPFEDSA-N 320.433 2.573 0 50 DFAA C[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@@]1(O)C1CCC1 91620095 PNQUKTNQGQTUKU-ACJLOTCBSA-N 305.393 2.768 0 50 DFAA CN1CCC[C@H](CCc2nc(-c3ccc4[nH]cnc4c3)no2)C1 96165008 CQXDEWMASYLZQM-GFCCVEGCSA-N 311.389 2.887 0 50 DFAA CC(C)(Cc1ccc(O)cc1)NC(=O)CCCc1cn[nH]c1 97784708 IOGZQNQGXYTOHX-UHFFFAOYSA-N 301.390 2.576 0 50 DFAA O=C1CCC2(CCNCC2)CN1CCOc1ccccc1Cl 91769119 XZMOJJNFWKUERI-UHFFFAOYSA-N 322.836 2.711 0 50 DFAA COCC1(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)CCCC1 95376755 VSKJPPGRIZXCCC-INIZCTEOSA-N 322.424 2.751 0 50 DFAA COCCN(Cc1cccs1)[C@H](C)C(=O)Nc1ccccn1 244852604 UVPBDNRSJWUJMC-CYBMUJFWSA-N 319.430 2.619 0 50 DFAA Cc1ccc(CC(=O)N[C@H](CC(C)C)c2ncnn2C)cc1C 534661423 ZZIQFXYYWSHKFM-MRXNPFEDSA-N 314.433 2.878 0 50 DFAA COCC1CCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)CC1 824371058 PSQYOXPZUBNQCL-UHFFFAOYSA-N 310.482 2.818 0 50 DFAA O=C(CCCn1cncn1)NC1(c2ccccc2Cl)CC1 843959416 URIMBNIMBGXBFA-UHFFFAOYSA-N 304.781 2.517 0 50 DFAA C=CC(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 1335867627 WDIDHWMLIJATEW-QGZVFWFLSA-N 314.429 2.502 0 50 DFAA COc1cc(NC(=O)[C@@H](C)N(C)C)ccc1NC(=O)CC(C)C 952967486 ZYHXZKXJLMBMMK-GFCCVEGCSA-N 321.421 2.568 0 50 DFAA Cc1ccc(-n2nnnc2NC[C@H](C)c2nc(C)cs2)cc1 273205470 FWMAJQHBNLPQDU-NSHDSACASA-N 314.418 2.951 0 50 DFAA COc1ccccc1C1(CNC(=O)N2CCO[C@@H](C)C2)CCC1 185205223 DNMMAWJQTYYQMU-AWEZNQCLSA-N 318.417 2.547 0 50 DFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1ccnc(C2CC2)n1 275327697 JRPCQAWOJYWAKA-BBRMVZONSA-N 313.405 2.646 0 50 DFAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2ccn(C)c2)CC1 275812243 UFRKBOBDHBGQLF-IBGZPJMESA-N 312.461 2.907 0 50 DFAA Oc1cc(F)cc(CN[C@H]2CCN(c3ncccc3Cl)C2)c1 185573723 SOSOQPKLNMSHQC-ZDUSSCGKSA-N 321.783 2.948 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cccc3cccnc23)C1 277573246 PEYOJDMERJDGAD-HZPDHXFCSA-N 324.384 2.888 0 50 DFAA C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H](C)N)C1 170070577 QRHOOHSESHMTFI-BREBYQMCSA-N 300.324 2.962 0 50 DFAA COCc1nc2n(n1)C[C@@H](N[C@H](C1CCCCC1)C1CC1)CC2 170074104 CEWRZEDVUQKRSX-MAUKXSAKSA-N 318.465 2.688 0 50 DFAA CC(C)S(=O)(=O)N(CC[C@H]1CCCO1)c1ccccc1F 170604875 CCOPNEGJXOJXOU-CYBMUJFWSA-N 315.410 2.939 0 50 DFAA Cn1cnc(-c2ccc(NCc3ccc4cn[nH]c4c3)cc2)n1 170606315 DCWSXQPHZKVZNW-UHFFFAOYSA-N 304.357 2.971 0 50 DFAA Cc1ncccc1CN1CC[C@H](CN(C)Cc2cccnc2)C1 190473074 VRGXSAIGDXMSSR-GOSISDBHSA-N 310.445 2.739 0 50 DFAA CC[C@@H](C)OCC(=O)Nc1ccccc1[C@@H](O)c1ccccn1 585087429 GDUQJEGBXOVBEP-FZKQIMNGSA-N 314.385 2.917 0 50 DFAA CN(C)c1cccc(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 681697664 BEDSPFVGJIQEMH-HXUWFJFHSA-N 321.424 2.848 0 50 DFAA CCO[C@H](CNC(=O)Nc1cn(C)nc1C)c1ccccc1 194315728 ZZDIWOWEZRXADX-OAHLLOKOSA-N 302.378 2.628 0 50 DFAA CCS(=O)(=O)C1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 195295134 KXGGVFYBPMNQCU-UHFFFAOYSA-N 323.458 2.651 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)c1cccc(CC(=O)O)c1 653639142 WKZKUJVJSLFDGC-LLVKDONJSA-N 303.383 2.736 0 50 DFAA CCc1cc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)no1 1615613900 BMBKHJCLLHZIPF-MRXNPFEDSA-N 300.358 2.841 0 50 DFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2sccc2C)C1=O 1134965 XBCZMLKDWSZIPX-QMEHYBMDSA-N 311.384 2.654 0 50 DFAA CC[C@H](C)n1nc(C)cc1NC(=O)c1ccn(CC)c(=O)c1 1529173064 LSTRSRCQCZODIF-LBPRGKRZSA-N 302.378 2.596 0 50 DFAA CCS(=O)(=O)c1ccc(N[C@H](CO)c2ccsc2)cc1 225523498 KUEZTIVUBSZVJM-CQSZACIVSA-N 311.428 2.687 0 50 DFAA CCn1ccc2c(CN3C[C@@H]4CCCN4C(=O)[C@@H]3C)cccc21 1772807557 YUZGSTPKLRVDKD-HOCLYGCPSA-N 311.429 2.856 0 50 DFAA Cc1cc(C)cc(N2CCC(N3C[C@H]4C[C@@H](O)[C@H]4C3)CC2)c1 1772703604 YKQIOBWTUVRJQL-AYOQOUSVSA-N 300.446 2.585 0 50 DFAA CCc1cc(C(=O)OC)c(NC(=O)c2c(C)noc2C)s1 13326820 OAAWBWKCENSFQT-UHFFFAOYSA-N 308.359 2.954 0 50 DFAA CC(C)/C=C/C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 14996375 VXPMETZATARNOO-FYCOFBDGSA-N 323.396 2.776 0 50 DFAA Cc1cc(O)ccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 16607191 MQBQZPWESCJQAJ-UHFFFAOYSA-N 324.336 2.606 0 50 DFAA O=c1c2c3c(nn2ccn1Cc1cc(F)ccc1F)CCCC3 169759950 LSTMJYFEBQCCLW-UHFFFAOYSA-N 315.323 2.701 0 50 DFAA O=C1C[C@@H](c2noc(-c3ccco3)n2)CN1C1CCCCC1 169762194 CVHCJQGLPHHUHM-LLVKDONJSA-N 301.346 2.978 0 50 DFAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)c2ccsc2)C1 328612301 OIUVYLWQTONHQP-JIMOISOXSA-N 321.402 2.532 0 50 DFAA CCN1CCN(C(=O)CC2=CCCCC2)C[C@H]1c1nccn1C 328630076 PMWYZXGGDRBUPH-INIZCTEOSA-N 316.449 2.516 0 50 DFAA CN(C)Cc1ccc(NC(=O)c2ccon2)cc1Br 225526341 KPBMWJMPEXJSOR-UHFFFAOYSA-N 324.178 2.751 0 50 DFAA CNC1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)CC1 237140763 ZKNZWRLMAUMVRM-UHFFFAOYSA-N 319.792 2.819 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F 238067927 BUNXZMMJQRNHRL-NEPJUHHUSA-N 315.291 2.798 0 50 DFAA Cc1noc([C@@H]2CCN(Cc3ccc(-n4ccnc4)cc3C)C2)n1 346281759 XYFORDHPLQXDGD-MRXNPFEDSA-N 323.400 2.862 0 50 DFAA CN(C)c1ccccc1CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 248533140 IIAHEIPLPSLTMJ-XKQJLSEDSA-N 302.418 2.970 0 50 DFAA CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2ccc3cc[nH]c3n2)no1 350245174 DDDGSSHIVWDZNS-ZANVPECISA-N 313.361 2.836 0 50 DFAA CC[C@H]1C(=O)NCCN1Cc1ncc(-c2cccc(Cl)c2)o1 151086993 SWGVLMMARNBWEO-ZDUSSCGKSA-N 319.792 2.705 0 50 DFAA C[C@@H]1CCC[C@H](Nc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)C1 585116848 JZHJNPGKTMIMLN-UGFHNGPFSA-N 301.390 2.948 0 50 DFAA Cc1csc(C[C@H]2CCN(Cc3nc(C(=O)O)cs3)C2)n1 903935820 PATASSJRFPCQOC-SNVBAGLBSA-N 323.443 2.671 0 50 DFAA CCNc1cc(CNC(=O)Nc2cc(C(C)C)on2)ccn1 864060828 NVZAGMIGOHXASG-UHFFFAOYSA-N 303.366 2.947 0 50 DFAA CO[C@@H](C)CS(=O)(=O)Nc1csnc1-c1ccccc1 874434570 VJJWMZPZULHLDE-JTQLQIEISA-N 312.416 2.587 0 50 DFAA O[C@@H](Cn1cc(C23CC4CC(CC(C4)C2)C3)nn1)c1ccccn1 1875282339 YPEJMYFTBRMWAS-QBNKABOXSA-N 324.428 2.875 0 50 DFAA Cc1cc(CNC(=O)C[C@@H](N)c2cccc(F)c2)cc(C)n1 1875287592 QDBNAQNIBDGYGV-MRXNPFEDSA-N 301.365 2.544 0 50 DFAA CN(C)C/C=C/C(=O)NC1(c2ccccc2C(F)(F)F)CC1 1875376579 BMPAYSSOMSVLJO-VMPITWQZSA-N 312.335 2.929 0 50 DFAA O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@@H]1CC(C2CC2)=NO1 1875328010 UMSXGJCVJPTYJI-ZFWWWQNUSA-N 304.777 2.998 0 50 DFAA O=C(NCCc1ccc(Cl)cc1Cl)c1c[nH]nc1F 1875344742 LIUXVJQQMZFDFQ-UHFFFAOYSA-N 302.136 2.828 0 50 DFAA c1ccc(-c2ncnc(N[C@H]3CCCN4CCCC[C@H]34)n2)cc1 884549058 ZIWJRTOBJXOHOZ-JKSUJKDBSA-N 309.417 2.967 0 50 DFAA Cc1noc(COC2CN([C@@H](C)CCc3ccccc3F)C2)n1 886097098 NLAKJWHOMPPMBX-LBPRGKRZSA-N 319.380 2.739 0 50 DFAA COc1ccc(F)c(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 888077824 XHLBMLVMDGQTIM-UKRRQHHQSA-N 305.353 2.519 0 50 DFAA Cc1cccc(CC2(O)CCN(c3nccn4ccnc34)CC2)c1 893621264 QYPCRQXIEDYJGL-UHFFFAOYSA-N 322.412 2.612 0 50 DFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)c1 126983 ARLFDXHELKOOHK-HNNXBMFYSA-N 318.373 2.522 0 50 DFAA c1cc2c(cc1-c1noc(-c3ccc4c(c3)OCO4)n1)OCO2 4744865 LMEFUUSMPSSAFW-UHFFFAOYSA-N 310.265 2.861 0 50 DFAA O=C(CN1CCc2ccccc2C1)Nc1ccc(F)cc1F 4727793 YZZKERGZGFWNDI-UHFFFAOYSA-N 302.324 2.962 0 50 DFAA CNC(=O)c1ccc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)nc1 2325733955 CCCVCPQZVXOYRP-DOMZBBRYSA-N 313.376 2.963 0 50 DFAA OC1(C2(CNCc3nccnc3C(F)(F)F)CCC2)CCC1 2325784215 JBQGJLWSOUAYAP-UHFFFAOYSA-N 315.339 2.670 0 50 DFAA Cn1cc(CN(C(=O)c2ccc(-c3ccon3)cc2)C2CC2)cn1 2325797969 COVJQTCLFSGRTQ-UHFFFAOYSA-N 322.368 2.880 0 50 DFAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1 2325889925 CXDDLIGUHJRRNT-UHFFFAOYSA-N 320.352 2.964 0 50 DFAA CCN1C[C@@H](NC(=O)c2cnccc2C(F)(F)F)C(C)(C)C1 975086426 VNKXWXHLBQGPNJ-GFCCVEGCSA-N 315.339 2.561 0 50 DFAA Cc1ccc(C)c(OCC(=O)NCc2ccc3c(c2)OCO3)c1 376903 FMYGJAVCVPAZTF-UHFFFAOYSA-N 313.353 2.727 0 50 DFAA CCC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1 804931 ATHSRTXSCFVFBA-UHFFFAOYSA-N 317.433 2.730 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 860251 FOLAAIYDPUJYKM-INIZCTEOSA-N 303.402 2.811 0 50 DFAA Cc1ccncc1NC(=O)[C@@H](CC(C)C)N1CCCCC1=O 132994558 XGJKYAJNFPNMAH-OAHLLOKOSA-N 303.406 2.756 0 50 DFAA O=C1c2ccccc2C(=O)N1CCOc1ccc2c(c1)CCC2 1074828 WHWAOROXALNSKF-UHFFFAOYSA-N 307.349 2.850 0 50 DFAA O=c1oc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 4147755 SCFJFZVQUKPDSF-UHFFFAOYSA-N 307.352 2.655 0 50 DFAA CCOc1cc(CNc2ccccc2)ccc1OCC(N)=O 4865796 QNIGFTXWQTUPTH-UHFFFAOYSA-N 300.358 2.562 0 50 DFAA COC[C@@H](Nc1nc(C)nc2sccc12)c1ccnn1C 55134343 IPMMJGVIUHJULK-LLVKDONJSA-N 303.391 2.533 0 50 DFAA COc1ccc(Br)cc1CNCC1CCNCC1 10434566 BXRGEHKKEUAYGJ-UHFFFAOYSA-N 313.239 2.547 0 50 DFAA COc1ccc(CC[C@@H](C)NC(=O)c2cc(C)nc(O)c2)cc1 133485015 RGHOBBZOMHJKFW-GFCCVEGCSA-N 314.385 2.855 0 50 DFAA COc1ccc(Cl)cc1CN(C)CCN(C)CC(F)F 225388045 JDUICIXIBNTMBG-UHFFFAOYSA-N 306.784 2.977 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 9059130 ONSMANZYPVHYDT-SECBINFHSA-N 323.274 2.571 0 50 DFAA CC[C@H](CO)N(Cc1ccccn1)C(=O)c1ccc(F)c(F)c1 55403437 JYUCWEXPMDCGOE-CQSZACIVSA-N 320.339 2.773 0 50 DFAA O=C(c1cc2nc[nH]c2cc1F)N1CCc2ccsc2C1 343007181 FXASSFMLTNKNMT-UHFFFAOYSA-N 301.346 2.962 0 50 DFAA Cc1cc(C(=O)N[C@H](C)Cn2cncn2)c(-c2ccccc2)o1 20638010 BEBLNSBIIKMIKQ-GFCCVEGCSA-N 310.357 2.665 0 50 DFAA CCCOCCCNC(=O)CC(=O)Nc1cc(C)cc(C)c1 65393498 VODHGELZHCOJJS-UHFFFAOYSA-N 306.406 2.565 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1N[C@H]1CCOC(C)(C)C1 248622350 DCRUCYIANAPRHT-MELADBBJSA-N 312.454 2.979 0 50 DFAA C[C@H](CCN1C[C@@H](N2CCOCC2)[C@H](C)C1)c1ccccc1 248826274 GIBJZWWXIXVLPL-ZHALLVOQSA-N 302.462 2.833 0 50 DFAA O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccc(F)cc1 22608815 AHNHBFPKNGDHCN-UHFFFAOYSA-N 324.359 2.910 0 50 DFAA C[C@H](Cc1ccccc1F)NC1(CN2CCOCC2)CCCC1 65502982 AFVDTAJCLKCHMP-MRXNPFEDSA-N 320.452 2.991 0 50 DFAA CC(C)c1cc(-c2nn3c(-c4ccccn4)nnc3s2)[nH]n1 22504671 AMGRQJYVXZNSKO-UHFFFAOYSA-N 311.374 2.761 0 50 DFAA O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccnc(O)c1 280511080 IJEWMTUIBFQRLC-WFASDCNBSA-N 300.333 2.992 0 50 DFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCS[C@H]2CCCC[C@@H]21 253429781 IIVRKJFTLHMONZ-PMPSAXMXSA-N 324.490 2.568 0 50 DFAA CNC(=O)c1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)cc1 328625423 KSVLFIRCORAEDV-RTBURBONSA-N 324.424 2.914 0 50 DFAA CCOC(=O)[C@@H](C)Oc1ccc2oc(C)c(C(=O)OC)c2c1 407222 FFYHENMVSAUXCM-SNVBAGLBSA-N 306.314 2.858 0 50 DFAA biogenic O=C(c1ccnn1CC(F)F)N1CCS[C@H]2CCCC[C@H]21 253432025 WBNNAGKUGMRVKZ-PWSUYJOCSA-N 315.389 2.648 0 50 DFAA O=C(NC(=O)c1ccccc1)OC[C@H]1CCCN2CCCC[C@H]12 4602663 FXQQNYZQTADODM-HZPDHXFCSA-N 316.401 2.818 0 50 DFAA CNC(=O)c1cccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)n1 230182295 QDRIRKZXLRETTQ-MBNYWOFBSA-N 316.405 2.626 0 50 DFAA O=C(O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 7053727 APBOVLPLJFJSRI-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)CCN1C(C)C 77489667 JJVDOZJPUZIHNT-CYBMUJFWSA-N 310.825 2.990 0 50 DFAA CC(C)(CO)CN[C@@H]1CCCN(c2nc3ccccc3s2)C1 12584763 CPTDJTWCZMKHLV-CYBMUJFWSA-N 319.474 2.873 0 50 DFAA COC1CCN(c2ccc(-c3nc(C(C)C)no3)cn2)CC1 39460828 JISYABRVXNFEFS-UHFFFAOYSA-N 302.378 2.870 0 50 DFAA C[C@@H](CCN1CCN(CC(C)(C)O)[C@@H](C)C1)c1ccccc1 239667600 BQORAQGVSHAFDX-IRXDYDNUSA-N 304.478 2.957 0 50 DFAA OCCOc1cccc(CN2CCC(c3ccncc3)CC2)c1 215941096 XBCDLTRRCCEZHI-UHFFFAOYSA-N 312.413 2.832 0 50 DFAA C[C@H](NC(=O)N1CC=C(c2ccc(O)cc2)CC1)c1cn[nH]c1 371088901 RUSVPJHMQNAPPK-LBPRGKRZSA-N 312.373 2.675 0 50 DFAA Cc1ncc(CNC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)o1 333871200 PGZTVXXIIMJEMH-LBPRGKRZSA-N 314.389 2.533 0 50 DFAA CN(Cc1cnccn1)C(=O)CCSCc1ccccc1 221177323 QLICNUWWSHPJKG-UHFFFAOYSA-N 301.415 2.759 0 50 DFAA Cc1nc(CNC(=O)C2(N3CCCC3)CCCC2)sc1C 220374953 IAZQJJVNMIOSSZ-UHFFFAOYSA-N 307.463 2.785 0 50 DFAA CCOC(=O)c1noc(N)c1-c1ccc(Br)cc1 44672089 LVVCDJIULDZABU-UHFFFAOYSA-N 311.135 2.863 0 50 DFAA O=C1NCC[C@@H]1N1CCC(Sc2ccc(Cl)cc2)CC1 179167622 NVAZTNVATZHRPO-AWEZNQCLSA-N 310.850 2.785 0 50 DFAA CN(C)[C@H](C(=O)N1CCC2(CCCO2)CC1)c1cccc(F)c1 95379907 TTZXERNFTCUCOG-INIZCTEOSA-N 320.408 2.600 0 50 DFAA Cc1ccc2[nH]c(CNC[C@H]3CCCC[C@@]3(C)O)cc(=O)c2c1 91526585 MNLDXDAMHKRPGF-AUUYWEPGSA-N 314.429 2.867 0 50 DFAA Cc1cc(=O)n(C)cc1NC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 230189721 UGOZTKWIODIFBQ-ZTFGCOKTSA-N 323.396 2.544 0 50 DFAA Cn1cncc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 237922840 ODFHYPZEFFULRM-UHFFFAOYSA-N 313.401 2.750 0 50 DFAA Cc1cc(COC(=O)[C@@H]2C[C@@H]2C2CC2)nc(N2CCCCC2)n1 163199502 GQIZCZIJZHTERN-HZPDHXFCSA-N 315.417 2.865 0 50 DFAA CC(=O)c1ccc(N2CCN(Cc3cncn3C3CC3)CC2)cc1 243893542 ARVPYBSYNKWFHT-UHFFFAOYSA-N 324.428 2.743 0 50 DFAA CN(Cc1ccc([S@](C)=O)cc1)[C@@H]1Cc2ccccc2[C@@H]1O 182825440 RFFNCVVYNRELJF-FGSXEWAUSA-N 315.438 2.514 0 50 DFAA Cc1cc([C@@H]2CCCCN2CCC(=O)Nc2cccnc2)no1 252488423 IRQKJNQWDPOADF-INIZCTEOSA-N 314.389 2.934 0 50 DFAA Cn1cccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c1=O 366549777 FWDYLOPSQJSILT-INIZCTEOSA-N 310.397 2.651 0 50 DFAA O=C(c1cccc(-c2cccc(F)c2O)c1)N1CCC[C@H]1CO 299769596 OMFYHMPBWUDKSM-AWEZNQCLSA-N 315.344 2.795 0 50 DFAA Cc1ccc(NCCCNC(=O)c2cccc3c2CCC3=O)nc1 670457473 WTFIFBRNDXDQLP-UHFFFAOYSA-N 323.396 2.751 0 50 DFAA Cc1nsc(N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 408524269 ZCZAGGFQYAJSFI-NSHDSACASA-N 312.439 2.586 0 50 DFAA CC(C)c1noc(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 274139992 DCUBWPXLVSYMHC-CQSZACIVSA-N 315.373 2.901 0 50 DFAA Cc1ccccc1[C@@H]1CCCN1c1nc(N)c2cnn(C)c2n1 170087356 YDUIRGBFIUUIOV-AWEZNQCLSA-N 308.389 2.595 0 50 DFAA COc1nc(O)cc(C(=O)Nc2ccccc2C(C)(C)C)n1 170598563 NGRZEJOFVDEIQS-UHFFFAOYSA-N 301.346 2.741 0 50 DFAA COc1ccnc(CN[C@H]2CCCC[C@H]2n2cccn2)c1OC 191191028 NAWAWBYSEKYFSP-DZGCQCFKSA-N 316.405 2.569 0 50 DFAA C[C@H](Nc1cc(N2CCSCC2)ncn1)c1ccncc1 193369221 MSEWVJLTUVGPJJ-LBPRGKRZSA-N 301.419 2.598 0 50 DFAA O=C(C[C@@H]1CCC(F)(F)C1)NCc1nnc(C2CC2)n1C1CC1 797984969 KDOUMIPKDRFODW-JTQLQIEISA-N 324.375 2.932 0 50 DFAA O[C@]1(c2ccccc2)CCCN(Cc2nnc(C3CC3)o2)CC1 1615566553 RJLWGDBZNRUIGA-GOSISDBHSA-N 313.401 2.821 0 50 DFAA Cc1cc(O)c(Cl)cc1-c1ncc(F)c(N2CCOCC2)n1 1772712651 XTFJZQQENNXQKH-UHFFFAOYSA-N 323.755 2.787 0 50 DFAA CCN1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1 16604882 WVYYBZSBDWJSQE-UHFFFAOYSA-N 304.434 2.789 0 50 DFAA COc1cc(CNCCc2ccc(F)cc2)cc2c1OCO2 19642748 BVWPFQQQCAQTFZ-UHFFFAOYSA-N 303.333 2.895 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)Nc1cc(F)ccc1F 19804297 OBGYERONGRWXIW-UHFFFAOYSA-N 300.305 2.818 0 50 DFAA C[C@H](CN(C(=O)Cc1c(F)cccc1Cl)C1CC1)C(=O)O 237603370 FKGLREODVHVDHW-SECBINFHSA-N 313.756 2.733 0 50 DFAA Cc1cccc([C@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C)c1 612014876 QIQQIEHNIZSMEF-INIZCTEOSA-N 300.406 2.868 0 50 DFAA Cc1cn(C)nc1C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 412347151 VHASORAOYWYSFW-MRXNPFEDSA-N 323.318 2.718 0 50 DFAA Cc1ncc([C@H](C)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(C)n1 624240206 BQHRIIDNUJKQRQ-PZSREKOKSA-N 315.421 2.635 0 50 DFAA CCc1nccn1S(=O)(=O)c1ccc(OC)c(C(C)(C)C)c1 7425072 AMGGCUHWICHQDL-UHFFFAOYSA-N 322.430 2.989 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]([C@@H](C)N)C1 237016252 SZEOUXOALKKTTL-IPYPFGDCSA-N 308.397 2.569 0 50 DFAA CCc1noc([C@H](C)N2CC[C@@H](OCc3c(C)noc3C)C2)n1 368869417 OFWBOPDJRBPSQY-WCQYABFASA-N 320.393 2.589 0 50 DFAA CC1(C)CCCC[C@@H]1NC(=O)N1CCCN(CC(F)F)CC1 163370718 FIIZOCXXEANEFN-ZDUSSCGKSA-N 317.424 2.938 0 50 DFAA Cc1csc2ncnc(NC[C@@H](C)NC(=O)c3ccoc3)c12 1107619828 HZGBBQUTPAQYNA-SNVBAGLBSA-N 316.386 2.823 0 50 DFAA CC[C@H](C)CONC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 816977321 XARAFIYYKKKIOZ-SMDDNHRTSA-N 324.808 2.787 0 50 DFAA O=C(NCc1ccc(CO)cc1)[C@]1(c2ccccc2)CCCO1 823469588 DQAPEJGQEPAWCX-LJQANCHMSA-N 311.381 2.501 0 50 DFAA COC(=O)[C@H]1CCc2nnc(Cc3ccc(Cl)cc3)n2CC1 865215684 VPIXDZOUDYFXFW-LBPRGKRZSA-N 319.792 2.648 0 50 DFAA Nc1ncc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)cn1 952878671 HDLSCXBWXYHQOD-ZDUSSCGKSA-N 303.337 2.813 0 50 DFAA Cc1cc(OC(F)F)c(C(=O)NCc2nocc2C)s1 952993417 XIIHGDIGNGBUBM-UHFFFAOYSA-N 302.302 2.884 0 50 DFAA O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@@H](O)[C@H](C2CC2)C1 1875273496 CKTBLHMWDWVSJH-QWHCGFSZSA-N 314.307 2.940 0 50 DFAA O=C(c1ncc2ccccc2c1O)N1C[C@@H]2C[C@@]2(C(F)(F)F)C1 888092885 NDFFVPYDWSSCJN-ZUZCIYMTSA-N 322.286 2.965 0 50 DFAA Cc1ncc(CN[C@@H]2CCN(C)[C@H](C)C2)c2c1OC(C)(C)OC2 1775993562 FYTUHUXKYPFWOE-IUODEOHRSA-N 319.449 2.607 0 50 DFAA CC(C)n1nccc1NC(=O)N1C[C@H]2C[C@]2(C(F)(F)F)C1 1776002722 YWHMUXMMTKXUBM-SKDRFNHKSA-N 302.300 2.880 0 50 DFAA CCc1n[nH]c(SCC(=O)Nc2ccnc3ccccc23)n1 18154381 QKCVLHBNRNUZCD-UHFFFAOYSA-N 313.386 2.646 0 50 DFAA C[C@@H]1CC[C@@H](Nc2ccc3c(c2)OCO3)[C@H](n2cncn2)C1 2325708504 XOLXDTWGDGYIRG-MRVWCRGKSA-N 300.362 2.849 0 50 DFAA Fc1ccc(-c2noc(-c3cc(C4CCOCC4)[nH]n3)n2)nc1 2325772403 NJOKBQOAXYZGCO-UHFFFAOYSA-N 315.308 2.555 0 50 DFAA Cc1sc(=O)n(CC(=O)Nc2ccc3c(ccn3C)c2)c1C 2325784064 YBNWZJCEYVPNEH-UHFFFAOYSA-N 315.398 2.657 0 50 DFAA Cc1cccc(Cl)c1S(=O)(=O)Nc1cnc2[nH]ncc2c1 2325854472 FZBBUQUDEBXXSE-UHFFFAOYSA-N 322.777 2.721 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(F)cc2)N1 187311 KUJITIQQDMJFKR-HOTGVXAUSA-N 310.328 2.995 0 50 DFAA biogenic CCOC(=O)C1=C(C(C)C)NC(=O)N[C@H]1c1ccc(F)cc1 1070440 ICULEFBKAZJCRQ-AWEZNQCLSA-N 306.337 2.653 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1C 3447015 KCUXNSMWDHBZTK-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 8041290 BOWXIJNAPSTIPB-CQSZACIVSA-N 316.332 2.721 0 50 DFAA Cc1ccccc1N1CCCN(C(=O)Nc2nncs2)CC1 55244832 WSVANFRGRLMRDP-UHFFFAOYSA-N 317.418 2.591 0 50 DFAA Cc1cc(C)cc([C@H](O)CNC(=O)C(F)(F)c2ccccn2)c1 225772020 LIYNDRRUWYGASM-CQSZACIVSA-N 320.339 2.640 0 50 DFAA O=C(NCc1ccco1)c1ccc(NC(=O)c2cccnc2)cc1 20114674 FWCUNCKRFXMFIN-UHFFFAOYSA-N 321.336 2.857 0 50 DFAA CC(=O)Oc1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100633671 SAKZDPJUMLIXQB-KGLIPLIRSA-N 319.744 2.634 0 50 DFAA CCOc1cc(CNC(C)C)ccc1OCC(=O)NC(C)(C)C 10436044 DQHCFWFJJODPQA-UHFFFAOYSA-N 322.449 2.877 0 50 DFAA CCCN(Cc1ccncc1)C(=O)c1[nH]nc2c1C[C@H](C)CC2 67689034 FELMGZSPHLOVOC-CYBMUJFWSA-N 312.417 2.982 0 50 DFAA Cn1c(-c2nc(-c3ccc(F)cn3)no2)cc2ccccc2c1=O 347055927 VGWQMSANPWVRNB-UHFFFAOYSA-N 322.299 2.790 0 50 DFAA C[C@@H](NC(=O)Nc1nnc(C(C)(C)C)s1)C1CCOCC1 137172020 GTFBBUZGFVWKER-SECBINFHSA-N 312.439 2.772 0 50 DFAA CC(C)N1CCCn2nc(C(=O)N3CCCCC34CC4)cc2C1 67852155 TWFGTGWLZDUZJU-UHFFFAOYSA-N 316.449 2.656 0 50 DFAA Brc1cnnc(Br)c1Br 307755061 CFPNAGQMSGMLFI-UHFFFAOYSA-N 316.778 2.764 0 50 DFAA NC1=N[C@@H](c2ccc(F)c(F)c2F)n2c(nc3ccccc32)N1 39404032 HRIXTRCTTNROEW-CYBMUJFWSA-N 317.274 2.741 0 50 DFAA CCc1ccc(NC2=NC(=O)C[C@@H](C(=O)c3ccccc3)N2)cc1 528409 RFAVZMIYSKIJAD-INIZCTEOSA-N 321.380 2.788 0 50 DFAA O=C(O)c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H](F)C1)CC2 425244252 RUPKFFHIDGYXNL-WFASDCNBSA-N 305.349 2.798 0 50 DFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)on1 328616416 BPXDSJMEWHBGMM-NSHDSACASA-N 305.403 2.940 0 50 DFAA Cc1[nH]nc2ncc(C(=O)Nc3cccc(Cl)c3O)cc12 172356511 YVEJLPILNNIKNW-UHFFFAOYSA-N 302.721 2.878 0 50 DFAA COc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)c(C)c1 155877011 USPWYZFLAPIAGC-HNNXBMFYSA-N 314.385 2.729 0 50 DFAA CCS(=O)(=O)c1ccccc1NCc1ccc2c(c1)CNC2 262522336 OGZVMLRUZYEWLV-UHFFFAOYSA-N 316.426 2.696 0 50 DFAA CCOc1ccc(/C=C/C(=O)N2CCC[C@H]([C@H](C)N)C2)cc1 236886363 YTXQZXXKENBNHY-DOLYSSGKSA-N 302.418 2.684 0 50 DFAA CN1CCC[C@@H]1CNCc1ccccc1OCc1cccnc1 237081818 SEWQNMBTJVBPAW-GOSISDBHSA-N 311.429 2.844 0 50 DFAA O=C(/C=C/c1ncc[nH]1)Nc1ccc(F)cc1OCC1CC1 493422849 MWPISSNYVMMCLE-AATRIKPKSA-N 301.321 2.990 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2O3)on1 333578635 JSSKUFWUTJCGML-KBUPBQIOSA-N 319.405 2.787 0 50 DFAA Cc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)cc(O)n1 378515219 GDYDLULLCTYOTK-UHFFFAOYSA-N 311.385 2.586 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)NCCc1nc(C(=O)O)cs1 263180689 WYDRUTARDNBIDC-UHFFFAOYSA-N 322.386 2.839 0 50 DFAA C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cccn1C 174394972 GUCYDLUMGHRICF-YOEHRIQHSA-N 313.401 2.941 0 50 DFAA Cc1ccc([C@H]2CN(CCCO[C@@H]3CCCCO3)CCO2)o1 241707057 QMGNIXBCYKGHOO-IAGOWNOFSA-N 309.406 2.895 0 50 DFAA O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 229220006 SYMJFFZLYFVGHW-CRAIPNDOSA-N 324.428 2.609 0 50 DFAA Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1c(C)noc1C 175038005 BSCBXOFPYVGGGY-SNVBAGLBSA-N 322.386 2.576 0 50 DFAA C/C=C\C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)OCC 263626002 AHIZEJBPZJPZOO-ZTWMUSSWSA-N 319.376 2.943 0 50 DFAA Cc1cc(C(=O)N(C)CCc2cn[nH]c2)c2ccc(F)cc2n1 82096894 WUAJTSAQMLQROA-UHFFFAOYSA-N 312.348 2.720 0 50 DFAA COc1ccnc(CNC(=O)CCCC(=O)c2ccccc2)c1 221307820 ZQJRLNWVHBRRDZ-UHFFFAOYSA-N 312.369 2.760 0 50 DFAA Cc1cccc([C@H](C(=O)N(C)Cc2cc(C)no2)N(C)C)c1 95362727 JHOVTTIPRZEARR-MRXNPFEDSA-N 301.390 2.553 0 50 DFAA CC(C)[C@H](NCc1cn(C)nc1C(F)F)C1(CO)CCC1 339727578 ACFRJKNOWWJODR-ZDUSSCGKSA-N 301.381 2.635 0 50 DFAA c1ccc2c(c1)OC[C@H](CCc1nccnc1N1CCCC1)O2 244695557 JORAPBXROOXKTF-AWEZNQCLSA-N 311.385 2.849 0 50 DFAA c1cncc(CCCN2CCC(N3CCSCC3)CC2)c1 244574963 CUKHOLLYWZMSBJ-UHFFFAOYSA-N 305.491 2.527 0 50 DFAA O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccsn1 294966084 NXIYEMPIAPTGCQ-TZMCWYRMSA-N 306.362 2.932 0 50 DFAA O=C(c1snc(O)c1Cl)N1CCC[C@H](C(F)(F)F)C1 622290111 QLWOKHFKHALYHJ-YFKPBYRVSA-N 314.716 2.917 0 50 DFAA Cc1cccc(C)c1OCCC(=O)N1Cc2c[nH]nc2[C@@H](C)C1 585134222 IYARPCCTWBAARU-AWEZNQCLSA-N 313.401 2.941 0 50 DFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1ccc3scnc3c1)C2 1076079004 XUGNEENJLMNFCH-OLZOCXBDSA-N 301.415 2.605 0 50 DFAA c1cc(CNCCCCCN2CCOCC2)c2[nH]ccc2c1 952959790 HYOIZTIVQISGDW-UHFFFAOYSA-N 301.434 2.760 0 50 DFAA O=C(c1cc2c(o1)CCCC2)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 1602623521 CUOUDMYPXUUJMM-PBHICJAKSA-N 303.358 2.628 0 50 DFAA C/C(=C\C(=O)NC[C@H](C)CN1CCCC1=O)c1cccc(F)c1 221752668 XFKKFNFOJWMTCH-FYQHACEVSA-N 318.392 2.604 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@@H](C)CO1 269208390 FQYCKMKLQHHQMH-DFGXFYAUSA-N 316.445 2.801 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C1=CCCCCC1 275299969 HAGKXYCRUXGQPO-GJZGRUSLSA-N 303.406 2.740 0 50 DFAA O=C(COc1ccccc1Cl)N1CCC[C@@H](c2ccn[nH]2)C1 170674652 TUIPPARHMFWBSG-GFCCVEGCSA-N 319.792 2.848 0 50 DFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cnsn1 187047417 GNNONSOWQKNTKS-NOZJJQNGSA-N 323.805 2.794 0 50 DFAA CC(=O)Nc1nc(CN[C@@H]2CCO[C@@H]2c2ccccc2)cs1 191946265 QINIJZWXDYOHTK-HUUCEWRRSA-N 317.414 2.721 0 50 DFAA COc1cc2c(nn1)CCN(C(=O)Nc1ccccc1Cl)C2 675721526 YVMWCBRRNFNFPG-UHFFFAOYSA-N 318.764 2.729 0 50 DFAA O=C(O)[C@H]1CCC[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2)C1 585089135 ARAFIJHMJCVMPB-OLZOCXBDSA-N 313.357 2.702 0 50 DFAA CC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2cccnc2)C1=O 193689023 SYUTXXHLTLUKIU-IBGZPJMESA-N 308.381 2.997 0 50 DFAA CCC[C@]1(COC)CCCN1C(=O)Nc1cccc(N(C)C)n1 194828876 UOLGNNYUSKHUIU-QGZVFWFLSA-N 320.437 2.961 0 50 DFAA COCC[C@@H](C)CNC(=O)c1ccc2cnc(C3CC3)n2c1C 1615049108 AMBOESJWLZNPIC-GFCCVEGCSA-N 315.417 2.923 0 50 DFAA Cc1cc(CN(C)c2nc(N3CCCC3)nc(C)c2C)on1 1529120922 UPDNWPIBCRODMC-UHFFFAOYSA-N 301.394 2.626 0 50 DFAA Brc1cnc2c(I)c[nH]c2c1 14401090 CCIGMKZMJLMLSD-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro O=C(CSc1ncn[nH]1)Nc1c(Cl)cccc1Cl 5737370 YVLLWHWEQIYLQO-UHFFFAOYSA-N 303.174 2.842 0 50 DFAA CN(C[C@@H]1O[C@@H]2CCCC[C@@H]2c2sccc21)S(C)(=O)=O 15024419 GLBKKNBARCSYRA-UHTWSYAYSA-N 315.460 2.737 0 50 DFAA COc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1O 18202746 ARWZLVSPYHOWHJ-UHFFFAOYSA-N 302.717 2.958 0 50 DFAA Cc1cc(C)c(-c2nc(C3CCCC3)nn2CC(=O)O)cn1 1857670293 GBRSHHRDNJKHSQ-UHFFFAOYSA-N 300.362 2.699 0 50 DFAA CCCC[C@@H]1CN(Cc2nc(COC)no2)C[C@H](C(C)C)O1 1857724260 RYDUYJXEHAELGK-ZIAGYGMSSA-N 311.426 2.632 0 50 DFAA CC(C)[C@H]1CN(CC2COCCOC2)C[C@@H](c2ccccc2)O1 1875244069 LBROQIIAMYCROJ-MOPGFXCFSA-N 319.445 2.748 0 50 DFAA Cc1occc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331556776 JDHGEZKOHPWLTE-ABAIWWIYSA-N 307.296 2.814 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)O)C3)on2)cc1 237702457 CXLMBEBCBLEYFY-ZDUSSCGKSA-N 314.341 2.587 0 50 DFAA C[C@@H](NC[C@@H]1CC(=O)N(C)[C@H]1c1ccncc1)C1CCCC1 658187937 VDNYAPJQWAUWNT-SKDZVZGDSA-N 301.434 2.769 0 50 DFAA c1csc(N2CCC(N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)n1 252486342 IWFHTYSIJNBEBC-ZNMIVQPWSA-N 307.463 2.659 0 50 DFAA Cc1cccc(NC(=O)COc2ccc(-c3ncnn3C)cc2)c1 252500529 SXGYAALKPMKSMJ-UHFFFAOYSA-N 322.368 2.808 0 50 DFAA O=C(NCc1ncn(-c2ccccc2)n1)c1cc2ccccc2o1 360978066 CHSRQJXLQIIYSB-UHFFFAOYSA-N 318.336 2.944 0 50 DFAA O=C(CN1CCOC2(CCCCCC2)C1)Nc1nccs1 152821217 XQCHBVBEKZEWCC-UHFFFAOYSA-N 309.435 2.507 0 50 DFAA CC(=O)N1CC[C@](C)(c2nc(-c3cccc4[nH]ccc34)no2)C1 363951027 GLFCONVDDPRIAM-KRWDZBQOSA-N 310.357 2.728 0 50 DFAA Cc1csc([C@H]2CN(c3cc(C(F)F)ncn3)CCO2)n1 928995583 BWTATKJJSSBVGM-SNVBAGLBSA-N 312.345 2.757 0 50 DFAA Cc1noc(CN2CCC[C@H]2c2cncc(Br)c2)n1 932250610 ZGYXBSXUHMFJQR-LBPRGKRZSA-N 323.194 2.873 0 50 DFAA Cc1nc2[nH][nH]cc-2c(=N[C@H](C)c2cccc3cnccc23)n1 1875355089 ZTMOKKMZQJRSJY-SNVBAGLBSA-N 304.357 2.756 0 50 DFAA COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 1803423 STQWWORVIGBLOE-UHFFFAOYSA-N 308.337 2.676 0 50 DFAA biogenic,in-vitro CCCCNCC(=O)Nc1sc(C)c(C)c1C(=O)OCC 1930793 RVZICNTXFSPAHS-UHFFFAOYSA-N 312.435 2.870 0 50 DFAA C[C@H]1CNCC[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)no1 2325774637 FMFGPBNGFLQTIF-GXFFZTMASA-N 319.792 2.723 0 50 DFAA Cc1cc(C)c([C@H](C)NC(=O)N[C@@H]2CN(C)C[C@@H]2C)c(C)c1 2325826914 PWUMHOKKKRHRPX-HRCADAONSA-N 303.450 2.922 0 50 DFAA Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2 374482 FXIDHWUPXWXSQG-UHFFFAOYSA-N 301.415 2.924 0 50 DFAA Cc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1 424318 WOYPWPFAXPDJAV-UHFFFAOYSA-N 311.320 2.549 0 50 DFAA CN1CCN(c2cccc(N=c3[nH]c4ccccc4[nH]3)c2)C1=O 2356140809 QEYQJGFCOZLNAZ-UHFFFAOYSA-N 307.357 2.600 0 50 DFAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)Cc1ccn2ncnc2c1 2356155823 OADAREOLZGNDRC-ZDUSSCGKSA-N 324.384 2.694 0 50 DFAA CCCCOc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)cc1 2855904 UHHQIANZIUYMRU-AWEZNQCLSA-N 318.417 2.743 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 6726178 ZZTUZFOPKDIVJK-AWEZNQCLSA-N 302.418 2.739 0 50 DFAA CN1CC[C@H](Nc2cc(=O)n3ccccc3n2)[C@@H]1c1ccccc1 225600000 VRMIPJLFNDGVJA-KXBFYZLASA-N 320.396 2.552 0 50 DFAA CCCCn1ncc(C)c1NC(=O)[C@@H]1COc2ccccc2O1 55088799 JCOYCNPHDOYIFV-HNNXBMFYSA-N 315.373 2.770 0 50 DFAA Cc1ccc(CNC(=O)Nc2nc(C)n(C(C)C)n2)cc1F 55283558 WCPUEPRLOYTWBO-UHFFFAOYSA-N 305.357 2.937 0 50 DFAA O=C(NCC1=CCCCC1)C1(S(=O)(=O)c2ccccc2)CC1 67851682 YRQROIWCHDKYBP-UHFFFAOYSA-N 319.426 2.610 0 50 DFAA CCNC(=O)NC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 67678376 YYTGUDXKIHSHMW-AWEZNQCLSA-N 315.417 2.964 0 50 DFAA CC[C@H](C)Oc1ccccc1OCCOCCN1CCOCC1 20652630 YUJMSJCYRRWARO-INIZCTEOSA-N 323.433 2.592 0 50 DFAA CCOc1ncccc1C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 65578529 SWEMLKGCLNWXPU-UHFFFAOYSA-N 323.356 2.826 0 50 DFAA Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccc21 128040046 UUYXCWNTVFKNBQ-KUHUBIRLSA-N 312.413 2.946 0 50 DFAA biogenic O=C(Nc1cccc(C2CC2)n1)c1ccc(-n2ccnn2)cc1 353693046 VXRPFRPFCTYRKV-UHFFFAOYSA-N 305.341 2.792 0 50 DFAA COCc1ncc(-c2nccn2CCc2cccc(F)c2)cn1 67833754 AYIRLGOGGFLKBX-UHFFFAOYSA-N 312.348 2.868 0 50 DFAA C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1nc2cc(Cl)ccc2[nH]1 252477617 RJMZFXGVCZJGHC-CYFJXOGMSA-N 319.792 2.961 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1sc(N)nc1C 219753388 OZXBURRGCWUAII-ZDUSSCGKSA-N 317.414 2.850 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)NCc3cccs3)C2)cc1 5029156 CQVQGOPFOPTWHP-OAHLLOKOSA-N 316.382 2.566 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1c(C)nc2ccccn12 216030332 SFSBXPFMIWVVLG-KRWDZBQOSA-N 310.401 2.857 0 50 DFAA Cc1nc2c(c(Oc3cccc(S(C)(=O)=O)c3)n1)CCCC2 253426574 UBJBUKYOHXLQTG-UHFFFAOYSA-N 318.398 2.860 0 50 DFAA Cn1cc([C@@H]2CCN(c3ncc(C(F)(F)F)s3)C2)cn1 253417832 JQFKJMXYXILQQB-MRVPVSSYSA-N 302.325 2.889 0 50 DFAA Cc1nnc(-c2ccccc2C(=O)OCc2snnc2C)o1 328596685 PSXSYLARINHJLE-UHFFFAOYSA-N 316.342 2.562 0 50 DFAA Cc1ccc([C@H](OC[C@H](O)Cn2ccnn2)c2ccccc2)cc1 328596033 OLPAVLJCORNTCC-RTBURBONSA-N 323.396 2.754 0 50 DFAA CN(C[C@@H]1CCCCO1)c1nc(C(C)(C)C)nc2c1cnn2C 72166917 XSNIKDICFRVHTM-LBPRGKRZSA-N 317.437 2.666 0 50 DFAA CN(C)Cc1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1 363720558 VHAUNIJFAOLVAN-SFHVURJKSA-N 323.440 2.848 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 331563613 JTSKCRFLNFIFHW-BXUZGUMPSA-N 322.311 2.518 0 50 DFAA COc1ccccc1[C@@H]1CCN(c2ncnc3onc(C)c23)C1 375583170 ISYKNKRKMDSFAH-GFCCVEGCSA-N 310.357 2.929 0 50 DFAA CCC[C@@]1(COC)CCCN1C(=O)c1ccc2cc[nH]c2n1 331880430 MAFTVZKYXDXJCG-KRWDZBQOSA-N 301.390 2.984 0 50 DFAA C[C@@H]1CN(c2cc(-c3ccccc3)nc3ccnn23)CCN1C 72148584 RXDKLRDSBZGFMT-CQSZACIVSA-N 307.401 2.537 0 50 DFAA Cc1cccc(NC(=O)N2CCN(Cc3ccccn3)CC2)c1 13325198 LAQANMQALVVTLU-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA Cc1ccccc1CC(C)(C)NC(=O)[C@H]1CC12CCNCC2 237717405 UEBPGGNOOJZUSG-MRXNPFEDSA-N 300.446 2.822 0 50 DFAA CC(C)c1cc(C(=O)NCCc2c[nH]c3ccccc23)n(C)n1 72469245 HYZKKACZQXLTNT-UHFFFAOYSA-N 310.401 2.997 0 50 DFAA CN(C)CCc1ccc(CNC(=O)CC2CC(F)(F)C2)cc1 451055888 MUYLUVHXSOCKLV-UHFFFAOYSA-N 310.388 2.842 0 50 DFAA O=C([C@@H]1C[C@H]1c1cccnc1)N1CCO[C@@H](c2ccsc2)C1 455900672 CRUOLVBSLJSFSY-ARFHVFGLSA-N 314.410 2.847 0 50 DFAA CCc1ncc(CNC(=O)c2ccnc(O[C@H](C)CC)c2)o1 456498765 YKNNCOQPQPZQSN-LLVKDONJSA-N 303.362 2.739 0 50 DFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1ccc(SC)cc1 223378621 SBFRXAXCHPIFLJ-YJNKXOJESA-N 322.430 2.580 0 50 DFAA C[C@H](CCNC(=O)c1cc(-c2ccsc2)n[nH]1)n1ccnc1 222425905 SVZOQRVENGDOBW-LLVKDONJSA-N 315.402 2.716 0 50 DFAA C[C@H](CNC(=O)CCc1ccc(F)c(F)c1)Oc1cccnc1 221242963 LNQJGLIGTWLFRY-GFCCVEGCSA-N 320.339 2.876 0 50 DFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ncc(C)[nH]3)C2)cc1 142800137 JCZBSBOZNBSGAU-OAHLLOKOSA-N 313.401 2.958 0 50 DFAA Cc1ccc(CN2CCN(c3ccc(F)cn3)CC2=O)cc1C 95529038 CQPFFGYCNLPSLG-UHFFFAOYSA-N 313.376 2.686 0 50 DFAA Fc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)cc1 92066208 BCIZXWNGLWPONG-DOTOQJQBSA-N 314.408 2.645 0 50 DFAA COc1ccc(-c2nc3c([nH]2)CCNC3)c(-n2nc(C)cc2C)c1 95383282 BDNAAQNDRKMSGY-UHFFFAOYSA-N 323.400 2.534 0 50 DFAA O=C1NCCCc2[nH]c(-c3csc(-c4ccccc4)n3)nc21 95366972 MLUNZUASEALTBN-UHFFFAOYSA-N 310.382 2.876 0 50 DFAA CC(=O)c1cc(CC(=O)NCCN(C(C)C)C(C)C)cs1 97099164 YRFMWEFJQACFAI-UHFFFAOYSA-N 310.463 2.728 0 50 DFAA COc1cc(CN(C(=O)[C@H](C)OC(C)C)C2CC2)ccc1O 97744920 LDABWMIVTWKEBD-LBPRGKRZSA-N 307.390 2.705 0 50 DFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cccc(C)n1)C2 91616906 GURFQTAJBUGNHS-FUHWJXTLSA-N 313.445 2.779 0 50 DFAA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)Nc1ccc(O)cc1 252478110 ADVBYPRPCNHYTL-UHFFFAOYSA-N 312.369 2.833 0 50 DFAA C[C@H](NC(=O)CCCn1cccn1)c1ccccc1-n1cccn1 347204554 LZBWCEZNSSPDJD-HNNXBMFYSA-N 323.400 2.726 0 50 DFAA Cc1cc2oc(-c3ccc(F)cc3)c(CC(=O)O)c2c(=O)n1C 604419029 MJRCRKKGUDJUIA-UHFFFAOYSA-N 315.300 2.873 0 50 DFAA Cc1nc2ccc(C(=O)NCCCn3cc(Cl)cn3)cc2o1 670452227 FMZKPZWSBITEFI-UHFFFAOYSA-N 318.764 2.806 0 50 DFAA CN(CCN1C[C@@H]2CC[C@H]1C2)Cc1n[nH]c2c1CCCCC2 1076073281 GERNDEATADWAKD-CABCVRRESA-N 302.466 2.595 0 50 DFAA Cn1nccc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 952981716 VNOKEYKOMMKANP-UHFFFAOYSA-N 321.384 2.821 0 50 DFAA COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C)n1cccc1)CC2 888105140 XTIYRAOPDTTXTJ-SWLSCSKDSA-N 314.385 2.870 0 50 DFAA COc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)ccc1C(=O)O 630185049 VXOFPKHRYQCMAD-LNNRFACYSA-N 301.342 2.624 0 50 DFAA Cn1cccc1C(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565505682 IZEBKQXYESGNSA-MSOLQXFVSA-N 323.440 2.762 0 50 DFAA Cc1noc(C)c1CC(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1 191399240 AMSVWBIVBPYOJS-SNVBAGLBSA-N 316.357 2.736 0 50 DFAA CN1C[C@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)C[C@H]2C1 192491967 DLUVOMXNYNNYIR-KDURUIRLSA-N 320.436 2.839 0 50 DFAA O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)[C@H]1Cc2ccccc21 739370963 YTTXUUZKPXAURG-SWLSCSKDSA-N 317.291 2.547 0 50 DFAA Cc1cccc(-c2noc([C@]3(C(C)C)CNC(=O)C3)n2)c1F 1614997974 RXRAMRKZZJJDGF-INIZCTEOSA-N 303.337 2.598 0 50 DFAA C[C@@]1(CO)Cc2ccccc2N1Cc1nnc(C2CC2)s1 1615550745 KFICEVLGEINXOV-INIZCTEOSA-N 301.415 2.729 0 50 DFAA O=C(Nc1cccnc1-c1ccco1)N1CCC[C@H](CO)CC1 1615627490 FLMKFPRNOXLTPA-ZDUSSCGKSA-N 315.373 2.968 0 50 DFAA N=c1[nH]c2cc(C(=O)NCCSC(F)(F)F)ccc2s1 1857735498 QAZVYJVNPAQIID-UHFFFAOYSA-N 321.349 2.692 0 50 DFAA Cc1ncc(C(C)C)c(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704343432 XGVKMTSVHCTONZ-NVXWUHKLSA-N 312.417 2.973 0 50 DFAA Cc1ccc(-c2cccc(CN(CCO)Cc3ncc[nH]3)c2)o1 1704325417 LHQWSDWTQDNYBM-UHFFFAOYSA-N 311.385 2.973 0 50 DFAA CSc1nnc(CNC(=O)C2CCC2)n1-c1ccccc1C 14883043 NQIYQJYECSEZCQ-UHFFFAOYSA-N 316.430 2.714 0 50 DFAA COc1cccc2c1OC[C@H](Cn1ccnc1-c1cncn1C)C2 1857730887 BFPMUTBFVZMDDD-ZDUSSCGKSA-N 324.384 2.544 0 50 DFAA Cc1cc(-c2noc(CCC(=O)N3CC(C)C3)n2)ccc1F 225701425 LHSQFJURMAFMEE-UHFFFAOYSA-N 303.337 2.595 0 50 DFAA C[C@@H](NC(=O)c1cccc(C(=O)O)c1)[C@@H]1COc2ccccc21 237540830 IEOOFQBQHGADRM-ABAIWWIYSA-N 311.337 2.679 0 50 DFAA CCCn1c(C)nnc1CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337315929 YDQJBPGGXNTYRE-OAGGEKHMSA-N 306.454 2.512 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(-c2cscn2)cc1 159779536 YSZATJACBNIOIO-CQSZACIVSA-N 316.382 2.889 0 50 DFAA Cn1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)n1 589306970 LMTSLUVOUMVGEP-UHFFFAOYSA-N 316.361 2.859 0 50 DFAA CCc1onc(C)c1NC(=O)N[C@@H](c1cnn(C)c1)C(C)C 930574597 XORFJZWYVBJNGD-CYBMUJFWSA-N 305.382 2.798 0 50 DFAA CO[C@H](C)CS(=O)(=O)Nc1csnc1-c1ccccc1 874434571 VJJWMZPZULHLDE-SNVBAGLBSA-N 312.416 2.587 0 50 DFAA COC1(OC)CCOC[C@@H]1CCNCc1cc(C)sc1C 952994292 OPFVDSXEHJBOIX-HNNXBMFYSA-N 313.463 2.870 0 50 DFAA O=C(NCc1ccccc1C(F)(F)F)[C@]12CCC[C@H]1NCC2 876575474 GHFQYLHEMQVHRS-HIFRSBDPSA-N 312.335 2.854 0 50 DFAA C[C@@H](C(=O)N1CCC[C@H]1c1nn[nH]n1)c1cccc2ccccc12 1875295349 HKLZKGOJUDZKHI-WBMJQRKESA-N 321.384 2.820 0 50 DFAA Cc1nc(CN[C@@H](C)c2cc(C3CCOCC3)nn2C)cs1 1875285798 ZPUWTEQGZFPTOY-NSHDSACASA-N 320.462 2.930 0 50 DFAA Cc1ccnc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)n1 887791002 ZBYZDYDPDVVRLL-LJQANCHMSA-N 321.380 2.866 0 50 DFAA COc1nn(C)cc1CNC(=O)N[C@H](C)c1cccc(C)c1C 893054592 GOSCOSCAEKUCCQ-CYBMUJFWSA-N 316.405 2.606 0 50 DFAA COc1cccc(/C(C)=C/C(=O)NCCc2cnc(C)o2)c1 1775997778 LSYUNWUIKKVRKG-FMIVXFBMSA-N 300.358 2.754 0 50 DFAA O=C(OCc1ccccc1)C1CN(Cc2cnn3ccccc23)C1 2325751569 PFJPFEGCFHQORU-UHFFFAOYSA-N 321.380 2.510 0 50 DFAA O=S(=O)(Cc1ccc(CF)cc1)c1cccc2ccnn12 2325794017 ODFFYMWJRNHMNU-UHFFFAOYSA-N 304.346 2.778 0 50 DFAA Cn1nnc2c(CN3CCC[C@H]([C@H]4CC4(F)F)C3)cccc21 2325806069 QSPUCRWEYIEUKK-WCQYABFASA-N 306.360 2.836 0 50 DFAA CC[C@@H](C)CC(=O)N1CCN(C(=O)c2cc(C)sn2)[C@@H](C)C1 2325878933 BBOMKMAGECDMAZ-NEPJUHHUSA-N 323.462 2.561 0 50 DFAA C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCCCC2)cc1 899923722 MTFUUUQKHRSFHK-UHFFFAOYSA-N 315.417 2.650 0 50 DFAA O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccccc1 190428 YWBFSJUENQCVIH-UHFFFAOYSA-N 308.289 2.833 0 50 DFAA Cc1ccc(N2C(=O)c3ccccc3[C@]2(O)c2ncc[nH]2)cc1 276887 XAVHGLRPYKSCMF-SFHVURJKSA-N 305.337 2.572 0 50 DFAA CCCN(CCO)Cc1cc(Br)ccc1OC 277485 NGRHLSBNKOMWJU-UHFFFAOYSA-N 302.212 2.662 0 50 DFAA COc1cc(OC)c(OC)cc1CN(C)CCc1ccccn1 300712 IJRDKVNCLDOROS-UHFFFAOYSA-N 316.401 2.782 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCC(OC(F)(F)F)CC1 2356164378 QQOGHYJGRNLMDJ-UHFFFAOYSA-N 310.703 2.820 0 50 DFAA O=C(O)c1cn2cc(Br)cc(Br)c2n1 3742144 DOYNQSCYEDXVFT-UHFFFAOYSA-N 319.940 2.558 0 50 DFAA Cc1cccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1 6697931 JNPIRQVFDHSCPL-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc4cc[nH]c34)[C@H]2C1 245624389 BTAXXGXBEOMERK-KBMXLJTQSA-N 314.385 2.576 0 50 DFAA Cn1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cn1 171350484 CPTRGEYGAFIGHV-ZDUSSCGKSA-N 312.329 2.645 0 50 DFAA CCCOc1cccc2c(N3C[C@@H](OC)C[C@H]3CO)ccnc12 343351275 OUFUKBHVOBWZFR-KBPBESRZSA-N 316.401 2.610 0 50 DFAA COCCCN1CC[C@H](CNc2nc(C)nc3sccc23)C1 55392820 UNULQOWQTRMJQZ-CYBMUJFWSA-N 320.462 2.770 0 50 DFAA CCc1csc(CNC(=O)c2ccc3c(c2)CCCO3)n1 65387920 BIBISQJUBUWZHL-UHFFFAOYSA-N 302.399 2.961 0 50 DFAA COC(=O)c1cc(C)sc1NC(=S)NCc1ccncc1 6571420 FKGBSFYYCDFGTC-UHFFFAOYSA-N 321.427 2.725 0 50 DFAA Cc1cc2cccc(C(=O)N(C[C@H]3CCC(=O)N3)C(C)C)c2o1 67676026 FQFZEXKGHPLZEY-CQSZACIVSA-N 314.385 2.870 0 50 DFAA Cn1ncc(N[C@H]2CCCOc3ccc(F)cc32)c(Cl)c1=O 350239116 GNPRIKMLLHWEAV-NSHDSACASA-N 323.755 2.899 0 50 DFAA CCc1nc(C)c(CN(C)C[C@H]2COc3ccccc3O2)[nH]1 67457926 HFFDLPFDVJRWAE-ZDUSSCGKSA-N 301.390 2.552 0 50 DFAA CC1(C)C[C@]1(CNC(=O)c1n[nH]c2c1CCC2)c1ccccc1 215719937 NWLIEFFCGPIRIH-IBGZPJMESA-N 309.413 2.996 0 50 DFAA CC1(C)CCC(=CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 253396683 QFRCYGKMYNBNJX-ZACQAIPSSA-N 321.461 2.901 0 50 DFAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC2(CCNCC2)CC1 357876212 LPCLRWPCHOYIDC-CQSZACIVSA-N 320.408 2.585 0 50 DFAA COc1ccc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)nn1 360937370 KBNBTGDJHCSKJB-UHFFFAOYSA-N 323.356 2.540 0 50 DFAA CC(C)[C@@H](CNCc1cc2ccccc2[nH]c1=O)N1CCCC1 74337333 USRKKIMVILJIIG-GOSISDBHSA-N 313.445 2.738 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 238006506 VANNBXDSYOEEFS-CQSZACIVSA-N 301.386 2.822 0 50 DFAA COc1ccc(CCN2CCC[C@H](N3CCCCC3=O)C2)cc1 363501198 UYSNRRXOKJJXLU-KRWDZBQOSA-N 316.445 2.715 0 50 DFAA COCCN1CCC[C@@]2(CCN(C/C=C/c3ccco3)C2)C1 12701437 GNTGKOFFWCGYMZ-SRSGJAESSA-N 304.434 2.727 0 50 DFAA Cc1ccncc1CCCN[C@H]1CCCN(c2cccnc2)C1=O 368028932 HFPPDWZSZJXYMD-SFHVURJKSA-N 324.428 2.503 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2cc(O)nc3cc(F)ccc23)CCO1 332217886 LCYIITUWMNEWGD-HNNXBMFYSA-N 318.348 2.577 0 50 DFAA COc1ccc(CC2CCN([C@@H](C)c3nncn3C)CC2)cc1 376533522 RWOARVIMCGKZRX-AWEZNQCLSA-N 314.433 2.839 0 50 DFAA Cc1nc2ccnn2cc1C(=O)NC[C@H]1CCCCC1(F)F 333101982 QDPSNYSAGAXNBI-LLVKDONJSA-N 308.332 2.593 0 50 DFAA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 40448404 YEJCWMVHDBKPBN-UHFFFAOYSA-N 302.374 2.907 0 50 DFAA in-vitro NCc1cc(Br)ccc1I 44248867 TUWVJRJRUGHRGC-UHFFFAOYSA-N 311.948 2.512 0 50 DFAA Cn1c(CCC2CCCCC2)nnc1SCC(=O)NC1CC1 17056283 XSKGRFVOTQZDKK-UHFFFAOYSA-N 322.478 2.699 0 50 DFAA CCC(CC)NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1 176393290 ABYKOULJQNOOPL-MRXNPFEDSA-N 312.454 2.935 0 50 DFAA Cc1nc2ccc(NC(=O)Nc3cc([C@@H]4C[C@H]4C)n[nH]3)cn2n1 289307438 AFLCEOVSMODANM-LDYMZIIASA-N 311.349 2.528 0 50 DFAA CCCO[C@@H](C)C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 82121889 CZSNBLGBBHVVAU-ZDUSSCGKSA-N 319.380 2.785 0 50 DFAA Cc1[nH]nc2c1CN(C(=O)N[C@@H](C)c1ccc(F)cc1)CC2 426401866 MBPAZQBNPQGTEV-JTQLQIEISA-N 302.353 2.686 0 50 DFAA O=C(c1cnc(-c2cccs2)nc1)N1CC(c2ccccn2)C1 426523262 VVIKEBZSYFFYEE-UHFFFAOYSA-N 322.393 2.840 0 50 DFAA COCc1ccc([C@@H]2CCCN2c2nccn(C3CC3)c2=O)o1 161694932 MDCSZIMAOCQOCM-AWEZNQCLSA-N 315.373 2.659 0 50 DFAA COc1ccc2c(c1)[C@H](c1nc(-c3ccncc3)no1)CC(=O)N2 96154120 DRYGVVLPLMZEOK-CYBMUJFWSA-N 322.324 2.614 0 50 DFAA CCc1ccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239184795 QZIGTFQURZURKZ-UXJCHEOYSA-N 322.408 2.672 0 50 DFAA CC1(C)CN(Cc2cncn2Cc2ccccc2)CC[C@]1(C)O 91487149 OJBRVCOONHEZQY-IBGZPJMESA-N 313.445 2.914 0 50 DFAA O=C(CCc1n[nH]c2c1CCCC2)NCc1cccc(F)c1 97570869 XIEQQPFENKEZAW-UHFFFAOYSA-N 301.365 2.677 0 50 DFAA Cc1ncc(C(=O)N(C)Cc2nc3c(s2)CCCC3)c(C)n1 180515729 YRQOCVDARUCTDY-UHFFFAOYSA-N 316.430 2.701 0 50 DFAA CC(=O)c1cccc([C@H](C(=O)O)N(C)Cc2nccs2)c1F 95388056 WXEUVLASJQRXOX-CQSZACIVSA-N 322.361 2.743 0 50 DFAA COc1ccc([C@H]2CCCN2c2nccc(C#N)n2)c(OC)c1 296275638 HAOHYHQQUXYFBW-OAHLLOKOSA-N 310.357 2.707 0 50 DFAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1nc(-c2ccsc2)no1 296251202 NTSGBNDTRIMYKJ-UHTWSYAYSA-N 305.403 2.701 0 50 DFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@@H](Cn2cncn2)C1 184105505 KEMSYJWXOPDGJV-CQSZACIVSA-N 324.384 2.885 0 50 DFAA COc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c1OC 299740597 AKDWKRJTUUDSAX-LBPRGKRZSA-N 321.373 2.563 0 50 DFAA Cc1ccc(C)n1CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 253413777 VQHXPYTYBNLTNQ-SJLPKXTDSA-N 304.434 2.649 0 50 DFAA biogenic CN(C)CCOc1ccccc1-c1ccc(S(C)(=O)=O)cc1 534650586 IKOJYYDJPOWSQW-UHFFFAOYSA-N 319.426 2.698 0 50 DFAA CCCSc1ccc(NC(=O)CCn2nnnc2C)cc1 822996050 WVKMBSFZRXPMKF-UHFFFAOYSA-N 305.407 2.512 0 50 DFAA COc1cccc(O[C@@H](C)c2nc(CC(C)C)nn2CCO)c1 828776969 NSCGINSDNIGEOQ-ZDUSSCGKSA-N 319.405 2.618 0 50 DFAA O=C1CC[C@H](N2CCC(CCc3ccccc3)CC2)CCN1 670445978 ZPTNFIPXIJPBDP-SFHVURJKSA-N 300.446 3.000 0 50 DFAA COc1cccc([C@@H]2CCN(Cc3cnc(N)s3)C2)c1OC 670444293 GBRUJGRDBVLHFC-LLVKDONJSA-N 319.430 2.732 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C)[nH]n2)cc1 1424749761 YYHQLYZJRNBMNY-MRXNPFEDSA-N 319.430 2.942 0 50 DFAA CNC(=O)CCN(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1 952964134 BKXKXVKTTJEFLP-UHFFFAOYSA-N 310.397 2.870 0 50 DFAA O=C(O)CCCC(=O)N(Cc1ccccc1)CC(F)(F)F 37827902 JOSOASDHMSJVPA-UHFFFAOYSA-N 303.280 2.832 0 50 DFAA Cn1nc(C(=O)N2CCSC[C@H]2C(C)(C)C)cc1Cl 891352782 AFDIAMSNZYTZMM-JTQLQIEISA-N 301.843 2.677 0 50 DFAA CC(=O)N1CCC[C@@H](C(=O)Nc2ncccc2-c2ccccc2)C1 272644268 ZPPVJAVKAUTABS-MRXNPFEDSA-N 323.396 2.946 0 50 DFAA Cc1cc(C2CCN(C(=O)CCc3nccs3)CC2)[nH]n1 273666993 WZVSDCWMCPVVON-UHFFFAOYSA-N 304.419 2.513 0 50 DFAA COCCN(C(=O)c1ccc(C(=O)O)cc1)[C@@H]1CC[C@@H](C)C1 668300480 OGINONRRZHRDRA-IUODEOHRSA-N 305.374 2.662 0 50 DFAA COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)cn1 676666563 FFEYKDMVCACYBM-UHFFFAOYSA-N 322.368 2.753 0 50 DFAA CCc1c(C(C)(C)C)noc1NC(=O)COC[C@H]1CCCO1 585124784 RTLSECKSULBNHA-LLVKDONJSA-N 310.394 2.669 0 50 DFAA O[C@@H](c1ccc(F)cc1)c1nccn1CCO[C@H]1CCCCO1 194723222 PNTUTXUXSMRQNW-HOTGVXAUSA-N 320.364 2.647 0 50 DFAA CO[C@@H](C(=O)Nc1nncs1)c1ccccc1C(F)(F)F 1615002701 LIFJLIUYQMSYCX-SECBINFHSA-N 317.292 2.883 0 50 DFAA O=C(O)c1cccc(CN(CCO)Cc2ccc(F)cc2)c1 1529099505 ZDXUUTUGKRWXQB-UHFFFAOYSA-N 303.333 2.518 0 50 DFAA Cn1cc(CNc2ncc(Br)cc2Cl)cn1 236089808 JEBMMFISYWTZNS-UHFFFAOYSA-N 301.575 2.843 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cc3ccccc3o2)CC12CCOCC2 1800411974 RQBYOZLJDPITPK-HNNXBMFYSA-N 315.369 2.746 0 50 DFAA Cc1ccc2c(C(=O)N3CCO[C@@H](c4ccccc4)C3)cnn2c1 1772710234 PHFTXOZPMURXDZ-GOSISDBHSA-N 321.380 2.856 0 50 DFAA O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CCCC1 12438701 FBUQXKOJUVOFPL-GOSISDBHSA-N 300.446 3.000 0 50 DFAA Cc1cc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)cc(C)c1Cl 18187912 COHLZOQRXJFCBF-BETUJISGSA-N 311.809 2.971 0 50 DFAA Cc1nc(CN2CCN(c3ccc(F)cn3)[C@@H](C)C2)cs1 1857692319 ZCYJLQQKXZDGSP-NSHDSACASA-N 306.410 2.696 0 50 DFAA Cc1nc(NC(=O)[C@@H]2CCCNC2=O)cc(-c2ccccc2)c1C 1857715515 VIZGTDNSBDPHFF-OAHLLOKOSA-N 323.396 2.830 0 50 DFAA COc1cccc2c1OC[C@@H](Cn1ccnc1-c1cncnc1)C2 1857728248 UCISZTPKGWJBCB-CYBMUJFWSA-N 322.368 2.600 0 50 DFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(C(=O)O)c1 319783466 GVQWPKKQWBUOGJ-BONVTDFDSA-N 313.309 2.552 0 50 DFAA COc1ccccc1CN(C(=O)c1ccc(C(=O)O)o1)C1CC1 237160149 VHLWKZUMIRXZPU-UHFFFAOYSA-N 315.325 2.791 0 50 DFAA O=C(O)[C@@H]1CCCN1Cc1csc(-c2ccccc2F)n1 262642339 JEYMLMTZGGPRRT-ZDUSSCGKSA-N 306.362 2.998 0 50 DFAA Cc1noc(Cl)c1CC(=O)N1CCC(c2ccccn2)CC1 378258456 IKXUXSDYNRCWQM-UHFFFAOYSA-N 319.792 2.980 0 50 DFAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2ccccn2)C1 798482018 ZJEFHKQDCLDPGW-ZDUSSCGKSA-N 320.389 2.707 0 50 DFAA O=C(NC1(C(=O)O)CCC1)c1cc(F)c(Cl)cc1Cl 164869571 IITCGZLONPNMIB-UHFFFAOYSA-N 306.120 2.870 0 50 DFAA C[C@H](C(=O)N1CCC(c2cc(O)no2)CC1)c1cccc(O)c1 1875296445 XNLFESUEOGDYHZ-NSHDSACASA-N 316.357 2.596 0 50 DFAA CCCn1nccc1C1CCN(c2nc3ccncc3n2C)CC1 1875305180 KMDLMCSGWSXVSS-UHFFFAOYSA-N 324.432 2.959 0 50 DFAA Cc1ccc(C(C)C)cc1NC(=O)c1ccc(=O)n(CCO)c1 1875339796 YSWYQXQUZQVFGM-UHFFFAOYSA-N 314.385 2.525 0 50 DFAA C[C@]1(C2CC2)COCCN1C(=O)c1cccc(-c2cnco2)c1 890587937 GJGUECAFMOLBCQ-GOSISDBHSA-N 312.369 2.983 0 50 DFAA c1csc(-c2noc(-c3cc(C4CCNCC4)[nH]n3)n2)c1 2325787271 OSKATCJKXKKCLH-UHFFFAOYSA-N 301.375 2.655 0 50 DFAA C[C@@H](N[C@@H]1CCCC(=O)N(C)C1)c1cccc(-n2cccn2)c1 2325801544 MWDLEXLJXFCEEI-GDBMZVCRSA-N 312.417 2.534 0 50 DFAA Cc1cnc(N[C@@H](C)Cc2nccn2C)nc1-c1cccnc1 2325802431 GWWKPDUMJYQDNR-ZDUSSCGKSA-N 308.389 2.624 0 50 DFAA CC(C)(F)[C@](C)(F)C(=O)Nc1cncc(-c2ccncc2)n1 2325814117 XJIVMUQOPAFQRD-OAHLLOKOSA-N 306.316 2.953 0 50 DFAA COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)NC3)cc1 226997 DHTAOKLCLVWLJI-KRWDZBQOSA-N 307.353 2.658 0 50 DFAA biogenic CCOc1ccc(S(=O)(=O)n2cnc(C)c2)c2ccccc12 297241 HTZFYNFIGJLAOC-UHFFFAOYSA-N 316.382 2.980 0 50 DFAA COc1cccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)c1 308950 DKNRZBAOORXVMC-CQSZACIVSA-N 303.358 2.900 0 50 DFAA Cc1cc(N2C(=O)CCC2=O)ccc1NC(=O)c1cccs1 475135 VOVOYUSHEGEIIN-UHFFFAOYSA-N 314.366 2.962 0 50 DFAA CCCCC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 2734891 UNYLEVPOVTXVAT-UHFFFAOYSA-N 312.435 2.892 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N1CCc2ccccc21 4488138 RNRFTQXOMRRGPV-UHFFFAOYSA-N 307.346 2.586 0 50 DFAA COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc1 6742355 HPGRWBJTBAWPBQ-HBGGEXNNSA-N 303.358 2.771 0 50 DFAA Cc1cnn(C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 2781482 NANOHTWCIZDIAE-UHFFFAOYSA-N 318.764 2.988 0 50 DFAA Cn1nc(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]ncc2c1 225799163 AWJBPFFBRYERSK-UHFFFAOYSA-N 318.340 2.611 0 50 DFAA CC[C@@H](C)N(Cc1ccccc1F)C(=O)c1ccc[nH]c1=O 55568671 LLWARNOZRDOKJL-GFCCVEGCSA-N 302.349 2.955 0 50 DFAA OCc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 343523705 UDQDHZHSDKPBDV-ZWKOTPCHSA-N 301.361 2.626 0 50 DFAA CCOC(=O)N1CCC(NCc2cc(-c3ccco3)on2)CC1 65399238 FYJWVQGBSNMVBS-UHFFFAOYSA-N 319.361 2.645 0 50 DFAA CC(C)CC[C@H](C)N1CCC2(CC1)NC(CC1CC1)=NC2=O 63857516 ANAAMSSGWJPZFC-AWEZNQCLSA-N 305.466 2.974 0 50 DFAA Cc1nc2c(c(NCCn3ccc4ccccc43)n1)CCNCC2 65464431 DRSSPWMMDROGRO-UHFFFAOYSA-N 321.428 2.540 0 50 DFAA CCN(C[C@H]1CCCO1)C(=O)NC1CC(C)(C)NC(C)(C)C1 171576553 SHKLDBXLEOUKEU-CQSZACIVSA-N 311.470 2.506 0 50 DFAA COc1ccc([C@H](C)CN2CCO[C@@H]([C@H]3CCCO3)C2)cc1 252487438 XQYNYKXMXBKODF-ZTFGCOKTSA-N 305.418 2.679 0 50 DFAA C[C@H](COc1ccccc1)N[C@H](C)[C@H](O)c1ccc(O)cc1 3201958 BMUKKTUHUDJSNZ-LBTNJELSSA-N 301.386 2.871 0 50 DFAA biogenic,world O=C(c1cccc2cc[nH]c12)N1CCC(Cc2ncc[nH]2)CC1 329152658 BIDWFCCQLKFGMC-UHFFFAOYSA-N 308.385 2.986 0 50 DFAA CC[C@]1(O)CCN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 428449309 RQJYJLSYWKTRHP-INIZCTEOSA-N 305.809 2.873 0 50 DFAA CC1=CC[C@@H]2CN(C(=O)Cc3cnc4c(C)cccn34)C[C@@H]2C1 71639275 HBTYZEHBBYBSLG-CVEARBPZSA-N 309.413 3.000 0 50 DFAA C[C@@](O)(C(=O)N1CCC(OCc2ccccc2)CC1)C1CCC1 362517275 YFDLLJLUQFVETF-IBGZPJMESA-N 317.429 2.745 0 50 DFAA O=C(Nc1ccccc1OCC1CC1)N1CCN2CCC[C@H]2C1 172587230 JXYUGCSRAWYTGF-HNNXBMFYSA-N 315.417 2.787 0 50 DFAA C[C@@H]1CCCN(S(=O)(=O)N(C)[C@H]2CCc3ccccc32)C1 240551689 GVKBJNZPXYNHLR-CJNGLKHVSA-N 308.447 2.582 0 50 DFAA Fc1cccc([C@H]2CNCCN2Cc2ccc3cn[nH]c3c2)c1 261610142 BXQGRSGDMLUPOD-GOSISDBHSA-N 310.376 2.849 0 50 DFAA CSc1cccc(CN(C)C(=O)CN2C[C@@H]3CC[C@H]2C3)c1 71589418 INGXOEMLPZAOLN-CABCVRRESA-N 304.459 2.851 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@@H]1c1ccco1 370909118 CBYGKEZLZQTXIX-MRXNPFEDSA-N 310.353 2.904 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 240756945 HVPSEXFQKMPUBI-ZRJCITRHSA-N 308.447 2.792 0 50 DFAA Cc1cc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)nc(N)n1 71736401 LAPCSQQNPFRPIH-HNNXBMFYSA-N 312.417 2.815 0 50 DFAA CC[C@H](C)n1ncc(NC(=O)c2cn3nccc3nc2C)c1C 451140555 ATPKNSDJIRSPCZ-JTQLQIEISA-N 312.377 2.766 0 50 DFAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2nc3ccccc3o2)C1 286550230 XGOBNHNKCHIZCN-KBPBESRZSA-N 301.390 2.517 0 50 DFAA O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1O 18212751 RGBXWUPIPVLNBT-UHFFFAOYSA-N 312.350 2.682 0 50 DFAA CCCc1cc(C(=O)NC[C@@H](c2cccnc2)C(C)C)[nH]n1 176330091 CCTPQBJKVBBCKF-OAHLLOKOSA-N 300.406 2.927 0 50 DFAA Cc1ccsc1C(=O)N1CC[C@@](C(=O)O)(c2ccccc2)C1 426497127 GPYMTNROAJCAPJ-KRWDZBQOSA-N 315.394 2.925 0 50 DFAA Cc1ccc([C@]2(C(=O)NCc3csc(N)n3)CC2(C)C)cc1 426531836 SDUDWFACYZLLQE-KRWDZBQOSA-N 315.442 3.018 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)NCc2c(F)cccc2F)C1 426730617 YLDBOTCHKVZZJM-GFCCVEGCSA-N 323.387 2.733 0 50 DFAA CCCOCCN1CCN(C(=O)Nc2ccc(F)cc2C)CC1 96164689 KKGZMEGIGIGXRN-UHFFFAOYSA-N 323.412 2.710 0 50 DFAA COC[C@H](NC(=O)Nc1c(C)cccc1Cl)c1ccnn1C 95528173 OAGVCRWYXCTMGH-LBPRGKRZSA-N 322.796 2.891 0 50 DFAA Cc1cccc(CCCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 91973760 WRZJKQMEZVQJAR-INIZCTEOSA-N 316.445 2.691 0 50 DFAA O=C(Cc1cccnc1)N[C@H](C[C@H]1CCOC1)c1ccccc1 179093921 SJLCXRVROVNWMG-SJLPKXTDSA-N 310.397 2.908 0 50 DFAA CCN1CCCC[C@H]1C(=O)NCCCN(C)c1ccccc1 97575013 BDGKUFXBQNCFOG-KRWDZBQOSA-N 303.450 2.504 0 50 DFAA CC(C)(C)N1C[C@@H](C(=O)NCCc2cccc(Cl)c2)CC1=O 92097572 MCQFJWCHCNCEAX-ZDUSSCGKSA-N 322.836 2.646 0 50 DFAA COc1ccc2c(c1)OC[C@@H](C(=O)N(C)C1CCSCC1)C2 91846722 BHXIWOLCBFWOCJ-ZDUSSCGKSA-N 321.442 2.600 0 50 DFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)N1CCC[C@@H]3CCC[C@H]31)C2 230110809 GSDLRJJZGHDGLC-QSPRXWTASA-N 305.466 2.976 0 50 DFAA CC(=O)N[C@@H]1CN(c2ncccc2Cl)C[C@H]1c1ccc(C)o1 91526412 AQAICGOCPRXGSK-TZMCWYRMSA-N 319.792 2.745 0 50 DFAA CCn1ccc(CN2CCCC[C@H]2CCn2ccnc2C)n1 244763927 OYBRMAHNYBDGEV-KRWDZBQOSA-N 301.438 2.853 0 50 DFAA C[C@]1(F)CCCN(S(=O)(=O)Cc2cccc3cccnc23)C1 297107968 OWKQJBSLULFOTF-INIZCTEOSA-N 322.405 2.889 0 50 DFAA CC[C@@H](NC(=O)CCCc1cccs1)c1ncnn1CC 534583229 RNWIFULNUNLMMI-CYBMUJFWSA-N 306.435 2.950 0 50 DFAA COC(=O)C1=C(Br)CCCN1C(=O)OC(C)(C)C 261361095 ILXDNPMXRUETRB-UHFFFAOYSA-N 320.183 2.797 0 50 DFAA CCCCCc1nc(-c2cc(N)n[nH]2)n(-c2cc(C)ccn2)n1 822858889 AZQICTSFBQDGQL-UHFFFAOYSA-N 311.393 2.676 0 50 DFAA Cc1sc2ncn(Cc3cncn3C3CC3)c(=O)c2c1C 584892940 AZFYOPBFDLTYMZ-UHFFFAOYSA-N 300.387 2.655 0 50 DFAA CC[C@@H](O)Cn1ncnc1-c1[nH]c2ccc(OC)cc2c1C 670437322 MMKZCTMHSZLEFZ-LLVKDONJSA-N 300.362 2.514 0 50 DFAA CCOC(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 71787957 SULSTAOSZUXHPL-UHFFFAOYSA-N 305.374 2.988 0 50 DFAA in-vitro CNC(=O)c1ccc(NC(=O)c2cccc(F)c2OC)c(C)c1 952965456 DPIGBFFGSWGBKV-UHFFFAOYSA-N 316.332 2.755 0 50 DFAA CO[C@@H](C)c1nc(COC(=O)C[C@@H](CN)CC(C)C)cs1 408525675 QKESYFIANJTFIE-RYUDHWBXSA-N 314.451 2.905 0 50 DFAA CC(C)c1ccc(-c2nc([C@H]3CCS(=O)(=O)C3)no2)cc1 273714037 IJEKZMNGFOFZNK-ZDUSSCGKSA-N 306.387 2.762 0 50 DFAA COC(=O)N1CC[C@@H](N[C@H](c2ccccc2)c2ccccn2)C1 170593035 YGNWLFIOQQOHKT-NVXWUHKLSA-N 311.385 2.601 0 50 DFAA COc1ccccc1C[C@H]1CCCN1C(=O)CCc1ncc[nH]1 279236204 QYOFKAIVMHUBAD-OAHLLOKOSA-N 313.401 2.585 0 50 DFAA Cc1cccc(CN(CC(C)C)C(=O)c2nc3ncccn3n2)c1 667508574 GLKPRSPLBOSULK-UHFFFAOYSA-N 323.400 2.731 0 50 DFAA O=C1CCc2ccc(OC(=O)c3cccc4cn[nH]c34)cc2N1 186717508 RIYYZJPVJDNBDW-UHFFFAOYSA-N 307.309 2.667 0 50 DFAA Cc1cc(=O)c(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)c[nH]1 194983065 JJJIFOFRRMCMNX-JTQLQIEISA-N 318.760 2.764 0 50 DFAA C[C@H]1CN(c2noc(-c3ccccc3)c2C(=O)O)C[C@@H](C)O1 1704335756 FCAHCOQSKMEWOU-PHIMTYICSA-N 302.330 2.653 0 50 DFAA CCN1CCN(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)CC1 16605234 WEJLGMHBZOTJRB-HNNXBMFYSA-N 304.434 2.741 0 50 DFAA Cc1cc2c(cn1)CN(C(=O)c1c(C)oc3c1C(=O)CCC3)C2 1857680749 NYRUYYNCBFZKQF-UHFFFAOYSA-N 310.353 2.966 0 50 DFAA CCC(=O)NCc1ccccc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875251129 XSALRTANVHMSBB-KRWDZBQOSA-N 322.408 2.983 0 50 DFAA CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1 225577884 ODJLDLAYJBONMF-OAHLLOKOSA-N 312.417 2.506 0 50 DFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 229848641 WDEZXOLPVRVVLC-ZYSHUDEJSA-N 323.440 2.923 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 134205757 SDTXKCQGLSCTCZ-LLVKDONJSA-N 319.405 2.773 0 50 DFAA Cc1ccc(-c2ocnc2C(=O)N2CCC[C@H](C(=O)O)C2)cc1 136136404 IFJRXFOZIJAELS-ZDUSSCGKSA-N 314.341 2.587 0 50 DFAA COc1ccccc1[C@@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 265781047 JGMDKZGBLNOKEN-CQSZACIVSA-N 313.401 2.594 0 50 DFAA O[C@@H](c1cc(F)ccc1F)C1CCN(Cc2ncccn2)CC1 839152970 XBRYFIOATAZIJB-QGZVFWFLSA-N 319.355 2.700 0 50 DFAA Cc1[nH]ccc(=NC(=O)NC[C@@H]2CCCCN2C2CC2)c1Cl 930765813 XBOSYZNLOKVDAB-ZDUSSCGKSA-N 322.840 2.604 0 50 DFAA COc1ccc2c(c1)CCN2C(=O)c1ccc(OC(F)F)nc1 931139849 AIORRTQLIAQVFI-UHFFFAOYSA-N 320.295 2.895 0 50 DFAA Nc1nc2c(cc1C(=O)N1CC[C@H](c3ccccc3)C1)CCC2 1875317351 VQCIAOLAIMRJAY-HNNXBMFYSA-N 307.397 2.782 0 50 DFAA CC(C)Oc1ccc(CN(C=O)[C@@H]2CCN(C)[C@@H](C)C2)cc1 1875325240 JWYRDKFSQDJFDD-DOTOQJQBSA-N 304.434 2.915 0 50 DFAA C=CC(=O)N(Cc1cc(F)ccc1C)[C@@H]1CCN(C(C)C)C1=O 1875381724 FOJHGRWPRDKZLZ-MRXNPFEDSA-N 318.392 2.658 0 50 DFAA COc1ccc(C2CC2)cc1CNC(=O)N[C@H]1CCO[C@H]1C 883542496 LWBWTKOMLIKMFB-NHYWBVRUSA-N 304.390 2.549 0 50 DFAA CC(C)(O)c1ccc(CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)cc1 888078081 MYUHZVWWPSBSPX-PBHICJAKSA-N 315.417 2.505 0 50 DFAA CCN(CC)CCN(C)C1CCN(Cc2ccccc2)CC1 19637237 HWXUFZICCMFHHQ-UHFFFAOYSA-N 303.494 2.925 0 50 DFAA O=C(NCCn1cc(-c2ccccc2)nn1)c1ccccc1F 1181338278 GBCNTAGMTLMENV-UHFFFAOYSA-N 310.332 2.514 0 50 DFAA COc1ccc(Br)c(C(=O)NCC[C@H](C)F)c1 356645928 LPKFASXHBQKXTQ-QMMMGPOBSA-N 304.159 2.936 0 50 DFAA O=C(c1cnc2c(F)ccc(F)c2c1)N1CC[C@@H]2COCC[C@@H]21 2325764901 WNPPDMMOJUPTAH-BMIGLBTASA-N 318.323 2.764 0 50 DFAA Cc1cc(F)c2c(c1)N[C@H](C(=O)NCC1CC(C(F)F)C1)C2 2325778611 GJXPZQMUKSTEDP-FDZGAKKTSA-N 312.335 2.878 0 50 DFAA Oc1ncc(F)c(SCc2nc3ccc(F)c(F)c3[nH]2)n1 2325841440 VHOHAPUBJUIWHO-UHFFFAOYSA-N 312.276 2.768 0 50 DFAA OCc1cnn(Cc2ccc(-c3cccn4nccc34)cc2)c1 2325843435 FPJPFXONFSMLDM-UHFFFAOYSA-N 304.353 2.738 0 50 DFAA O=C(N[C@@H](C(=O)O)c1ccsc1)c1ccc(Cl)cc1O 2325875008 DCDHOLLMYNUKTB-LLVKDONJSA-N 311.746 2.663 0 50 DFAA COc1ccc(Cc2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)cc1OC 110593106 JHYNVADYZJPQKO-FRRDWIJNSA-N 316.357 2.713 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n[nH]1 225678992 PJWRECZNBOWZTR-XJKSGUPXSA-N 317.364 2.620 0 50 DFAA c1ccc(Cn2nnc3c(N4CCCCCC4)ncnc32)cc1 117978 DMVHTWWJETVRRL-UHFFFAOYSA-N 308.389 2.650 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2cccc3nsnc23)cc1 208057 JBCPWYQXXLFYTD-UHFFFAOYSA-N 305.384 2.801 0 50 DFAA Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1C 1361182 SZPXYAMKAILXJL-UHFFFAOYSA-N 320.418 2.534 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cc(O)nc3ccc(C)cc23)CC1 2356143483 JLJYJCQCQPUTON-JOCQHMNTSA-N 314.385 2.936 0 50 DFAA COc1c(C)cnc(CNc2c(C)c(C)nc3ccnn23)c1C 2356146626 NLLXSPZOGOVHEA-UHFFFAOYSA-N 311.389 2.979 0 50 DFAA CC(C)Cc1nc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)no1 2356150334 XHTCPMIMRYZGQO-HZPDHXFCSA-N 315.417 2.619 0 50 DFAA COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1Cl 6742199 OTXIRCUVDLPSAC-UHFFFAOYSA-N 310.781 2.546 0 50 DFAA CCCCC(=O)Nc1ccc(C(=O)NC2(CO)CCCC2)cc1 55061070 CMZSSSDRSJFUIX-UHFFFAOYSA-N 318.417 2.850 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)CSc2ccncc2)c1 55132758 HKVITQOZXLMRAW-CQSZACIVSA-N 315.442 2.967 0 50 DFAA Cc1ccc(NC(=O)/C=C/c2c[nH]cn2)cc1C(=O)NC(C)C 225615772 RXCNPLCWGADMEX-VOTSOKGWSA-N 312.373 2.508 0 50 DFAA Cc1ncc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)c(C)n1 65403884 ZNYFTYUHRVYPAN-MRXNPFEDSA-N 324.428 2.692 0 50 DFAA O=C(c1cccnc1)N1CCN(C/C=C/c2ccccc2)CC1 20508697 MRFMFSULFIYLMW-VMPITWQZSA-N 307.397 2.553 0 50 DFAA Cc1nccn1-c1ccccc1CNC(=O)[C@@H](O)c1ccccc1 67713854 PRMQHBZWBDRXBP-SFHVURJKSA-N 321.380 2.531 0 50 DFAA CN1C(=O)C[C@@H](C(=O)Nc2cccc(O)c2)[C@H]1c1ccccc1 20718377 BGPJDAZHHURGRY-NVXWUHKLSA-N 310.353 2.550 0 50 DFAA CCc1cnc(CCNC(=O)c2ccc([C@H](C)N)cc2)s1 423428571 JMIZHBLMGBDKGN-NSHDSACASA-N 303.431 2.698 0 50 DFAA C[C@@H]1CCCCN1[C@H](C)CNC(=S)NCc1ccccc1 252457272 SNISHSJZIZBGRT-HUUCEWRRSA-N 305.491 2.914 0 50 DFAA CCCc1nc(CN(CC)C(=O)c2cccc(F)c2OC)no1 65456349 TVKQGMRHHOIHPP-UHFFFAOYSA-N 321.352 2.832 0 50 DFAA Cc1cc(C(=O)N(C)Cc2csc(C(C)C)n2)cc(=O)[nH]1 215543721 LHXGIHPGEWIJCG-UHFFFAOYSA-N 305.403 2.535 0 50 DFAA Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccccc3)n2)c1 428389308 ZEYUDEJDOUGJES-GFCCVEGCSA-N 307.357 2.666 0 50 DFAA Cc1nn(C)c(Sc2ccccc2)c1C(=O)N=c1cc[nH]cc1 361679414 ZELXDXQZFGKRKI-UHFFFAOYSA-N 324.409 2.949 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@H]1CCC(=O)O 262153949 BXVTWJQVOKRYAV-ILXRZTDVSA-N 311.422 2.828 0 50 DFAA Cc1cccc2[nH]c(CCC(=O)N3CCCC[C@H]3[C@H](C)N)nc12 237421053 LHSDCIXEYODTBO-ZFWWWQNUSA-N 314.433 2.532 0 50 DFAA Clc1ccc2ncc(CN3CCC[C@]4(CCOC4)C3)n2c1 449687638 QLRXBPKOKKYOAX-INIZCTEOSA-N 305.809 2.990 0 50 DFAA CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)[C@H](C)c1ccccn1)C2 242047885 VQVUPLBDRFZEKX-OAGGEKHMSA-N 301.434 2.659 0 50 DFAA CCc1cc(N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)nc(C)n1 283531828 NVDJSHZPDLENNN-DOTOQJQBSA-N 313.401 2.668 0 50 DFAA O=C(CCc1ccccn1)N1CCCC[C@H]1CCn1ccnc1 82114446 CZLMOVFUVLASMO-KRWDZBQOSA-N 312.417 2.682 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@H](O)C2CCCCC2)s1 220504298 XMXDVWZPWQYGNA-OAHLLOKOSA-N 310.463 2.961 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](CN)C1 178526520 SXPQYYGBQRXVPS-UWVGGRQHSA-N 317.216 2.568 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 239433719 YJDQQCHZOSGEJM-YXMPFFBPSA-N 323.270 2.538 0 50 DFAA C[C@H]1CCc2sc(C(=O)N3CCc4n[nH]cc4C3)cc2C1 92028248 XCFAIKACPXLAGS-JTQLQIEISA-N 301.415 2.795 0 50 DFAA CN(C(=O)CCc1ccc(Cl)cc1Cl)[C@@H]1CCNC1 179109884 GVWIGHWHHOAGOF-GFCCVEGCSA-N 301.217 2.746 0 50 DFAA COCC[C@]1(C(=O)O)CCCN(Cc2cc(C(C)C)on2)C1 91518592 XHARNNRPYIEMGF-MRXNPFEDSA-N 310.394 2.501 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NCCCn3cnnc3)[nH]c12 91847034 ORXWRASXZIKHDS-UHFFFAOYSA-N 311.389 2.505 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC[C@@H]4N(CCO)CC[C@@]43C)[C@H]1CC[C@H]2O 247722586 BSIXKFWZOQKKGU-YXEAJBBVSA-N 307.478 2.657 0 50 DFAA biogenic CN(C(=O)CCC(=O)Nc1ccccc1)C1CCSCC1 252500532 SXHWFMKCINBDSK-UHFFFAOYSA-N 306.431 2.759 0 50 DFAA Cn1ccnc1C[C@@](O)(c1ccccc1)c1ccc2c(c1)OCO2 252480050 BSXKXQLOIVRECZ-LJQANCHMSA-N 322.364 2.627 0 50 DFAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2cnn3ccccc23)cc1 534581109 APFIDKRVLNIZTJ-INIZCTEOSA-N 321.380 2.910 0 50 DFAA Cc1ccc(-n2cnnc2)cc1NC(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 299779601 SFXSGMOBRZXYPM-ILXRZTDVSA-N 323.400 2.909 0 50 DFAA COc1ccccc1Cc1nc([C@H](C)CN2CCCC2)n[nH]1 824821897 UYSUCCQANZMZNE-CYBMUJFWSA-N 300.406 2.603 0 50 DFAA CCOP(=O)(OCC)c1nc(-c2cccnc2)oc1NC 585152389 YCQVVLGGOMJAGE-UHFFFAOYSA-N 311.278 2.670 0 50 DFAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCC1=NNC(=O)CC1 952873860 PCQCWMYESHHAJJ-LLVKDONJSA-N 321.808 2.906 0 50 DFAA FC(F)(F)Cn1nc(-c2ccco2)nc1CC1CCNCC1 952983009 UFJWNSCOVYYANC-UHFFFAOYSA-N 314.311 2.643 0 50 DFAA Cc1ccc(Nc2nc(N)nc(N)n2)cc1OCCC(C)C 1458195143 JODDKEHOKLIBMF-UHFFFAOYSA-N 302.382 2.513 0 50 DFAA OCc1ccc(Cn2nc(C(F)(F)F)c3cnccc32)cc1 305840396 QXKMCZUMFHIKAY-UHFFFAOYSA-N 307.275 2.991 0 50 DFAA Cc1nc(C)c(C(=O)Nc2cccc(-c3nnc(C)n3C)c2)o1 269450144 SYEIAKKBJXOSKA-UHFFFAOYSA-N 311.345 2.648 0 50 DFAA CCO[C@H](C(=O)N1C[C@H](C)Oc2ncccc21)c1ccccc1 170608852 XZLCEEILFTXPFZ-BBRMVZONSA-N 312.369 2.973 0 50 DFAA COCC1(C2CC2)CN(C(=O)[C@@H]2Cc3ccccc3S2)C1 634050549 JFKCQMJZNHWOGW-HNNXBMFYSA-N 303.427 2.588 0 50 DFAA O=C(C[C@H]1CCCN1)Nc1n[nH]cc1-c1ccc(Cl)cc1 638482191 ZXOJKFCYOJOUFB-GFCCVEGCSA-N 304.781 2.811 0 50 DFAA CN(C)C(=O)[C@@H](NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccccc1 189232487 DEKULYMUQZQKEK-IKGGRYGDSA-N 318.461 2.857 0 50 DFAA COc1ccc(-c2cncc(C(=O)NCc3cocn3)c2)cc1 675093596 UACRWNSEBDALHK-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA CC(C)c1ccnc(N2CCN(c3ncccc3Cl)CC2)n1 681011334 LOKGTUBABBHYBS-UHFFFAOYSA-N 317.824 2.975 0 50 DFAA O=C(O)c1cccc2c1CN(C(=O)c1ccc3c(c1)CCO3)CC2 649258298 ODEXAEJJOVKYOY-UHFFFAOYSA-N 323.348 2.518 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN2CCC[C@H]2C1 195309540 ABHPDWYRQCWYMD-HNNXBMFYSA-N 311.385 2.570 0 50 DFAA O[C@H]1CN(Cc2ccsc2)CC[C@@H]1c1ccc2c(c1)OCO2 212331787 FJAULSZTEUJTBV-CABCVRRESA-N 317.410 2.827 0 50 DFAA CCc1ccccc1CN1C[C@@H]2CC[C@H](C1)CN2CCOC 213421747 ASGQOIFGMMVSLQ-APWZRJJASA-N 302.462 2.792 0 50 DFAA CC(C)(C(=O)N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1 1529146390 OBTIIGVBXSDKHX-AEFFLSMTSA-N 324.424 2.733 0 50 DFAA CC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1 19633159 CMGWTZKWWMXQFC-UHFFFAOYSA-N 308.425 2.983 0 50 DFAA Fc1ccccc1-c1ccc(CNCCN2CCOCC2)o1 19872336 UIQQKYJBAWPZMB-UHFFFAOYSA-N 304.365 2.508 0 50 DFAA CO/C(O)=C1/C(=O)[N+](=O)c2cc(Cl)c(Cl)cc2N1O 19996287 MGWWMHRBQSEVPM-UHFFFAOYSA-O 306.081 2.513 0 50 DFAA Cn1nccc1-n1nc(-c2ccccc2)nc1[C@@H]1C[C@@H]2CC[C@H]1O2 1857724366 XHVWGYINKJGODW-RRFJBIMHSA-N 321.384 2.703 0 50 DFAA Cc1nc2c(C)cc(-c3ccc([C@H]4CNC(=O)C4)cc3)cn2n1 1875246065 YDFHBOARKNBKLW-OAHLLOKOSA-N 306.369 2.617 0 50 DFAA COc1cc(CNc2cccc3c2CCN3C(C)=O)ccc1O 253433214 UDMCOUBZSYBELR-UHFFFAOYSA-N 312.369 2.922 0 50 DFAA O=C(C1=CCCCO1)N1CCC[C@@](CO)(Cc2ccccc2)C1 368290206 DEAISBAEXIQURP-LJQANCHMSA-N 315.413 2.525 0 50 DFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)Cc1ccccc1 377516227 UYZNGIUIRUWIJQ-SFHVURJKSA-N 308.381 2.623 0 50 DFAA Cc1nsc(N(CCC(=O)O)Cc2ccc(F)c(F)c2)n1 910419380 LUEZSUWSWCRTTR-UHFFFAOYSA-N 313.329 2.606 0 50 DFAA CCc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)O)o1 952889481 AEIDOGZBCYCFTG-GFCCVEGCSA-N 317.345 2.631 0 50 DFAA O=C1CCC[C@@H](CC(=O)N(Cc2ccccc2)C2CCC2)N1 1875274499 DZBSTOAZEFYJNK-HNNXBMFYSA-N 300.402 2.627 0 50 DFAA CCc1ccc(CNS(=O)(=O)C[C@H]2CCC3(CCC3)O2)cc1 1875289805 PXDTVNHUDDQSGZ-MRXNPFEDSA-N 323.458 2.770 0 50 DFAA CCCC1CCC([C@@H](C)NCC2(C(N)=O)CCOCC2)CC1 1875279617 UOLBQCSJEVRALI-QQFBHYJXSA-N 310.482 2.853 0 50 DFAA Fc1cc(C(F)F)cnc1N1CCCC[C@H]1Cn1ccnn1 1875395270 UTPHRGPBCIWLRK-NSHDSACASA-N 311.311 2.809 0 50 DFAA O=C(c1ncc2ccccc2c1O)N1C[C@@H]2C[C@]2(C(F)(F)F)C1 888092883 NDFFVPYDWSSCJN-BONVTDFDSA-N 322.286 2.965 0 50 DFAA Cc1ccc(CC(=O)N2CCCc3cc(Cl)cnc32)cn1 1775997589 IRKXSZFTACNAKX-UHFFFAOYSA-N 301.777 2.960 0 50 DFAA O=C(COc1cccc(Cl)c1)NCc1nc2ccccc2[nH]1 4625804 YCDRFSCTNLPYQR-UHFFFAOYSA-N 315.760 2.912 0 50 DFAA C[C@H]1CCc2c(sc3ncn4nc(-c5cnccn5)nc4c23)C1 15107782 POLFBEYQROQSDP-VIFPVBQESA-N 322.397 2.921 0 50 DFAA COc1cccc(SCC(=O)Nc2nccs2)c1OC 30947941 OIDOMKUVVKAOSU-UHFFFAOYSA-N 310.400 2.891 0 50 DFAA Cc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1 11693049 NGUXQPHLIXVDCS-UHFFFAOYSA-N 311.320 2.549 0 50 DFAA CCCN(CC(F)(F)F)C(=O)C[C@@H]1CN[C@@H]2CCCC[C@@H]12 2325778261 MYVAAUVTXQEEEQ-FRRDWIJNSA-N 306.372 2.956 0 50 DFAA Cn1cc(NC(=O)NC23CC(C)(C2)OC32CCC2)c(C2CC2)n1 2325781635 QJJHYQRHVVQAHJ-UHFFFAOYSA-N 316.405 2.663 0 50 DFAA CC1(C)C[C@H](C(F)F)CN1C(=O)c1cnc(N)c(Cl)c1 2325807611 GJZACHXMNLSDMM-QMMMGPOBSA-N 303.740 2.823 0 50 DFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCCN1CCOC1=O)C2 248329198 CXDSXZAJCJAOMM-DCGLDWPTSA-N 308.422 2.550 0 50 DFAA COc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 119630 MRHNWTODGOYUBO-LLVKDONJSA-N 315.325 2.830 0 50 DFAA Cc1c(C(=O)OCCc2ccccc2)sc2nc[nH]c(=O)c12 151435 PRUBCKBKXWWWTL-UHFFFAOYSA-N 314.366 2.693 0 50 DFAA CCOC(=O)c1cccc(NC(=S)NC(=O)c2ccco2)c1 377287 ABDVLWIZZFJCRI-UHFFFAOYSA-N 318.354 2.583 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C 384659 OREBCGUMJFXXCL-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA CCOC(=O)[C@H](C)Oc1ccc(Br)cc1C=O 612633 SYJNEUOJPGCSMY-QMMMGPOBSA-N 301.136 2.592 0 50 DFAA O=S(=O)(O)Oc1ccc2cc(Br)ccc2c1 1711130 JGCHJQIOPBQLKP-UHFFFAOYSA-N 303.133 2.784 0 50 DFAA C[C@@H](CN1CCCCC1)N1CC2(COc3ccccc3C2)C1 2356164948 NAPLSFDEHDICPL-INIZCTEOSA-N 300.446 2.798 0 50 DFAA COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 3192539 FFVLXFYALRFBPG-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA CCS(=O)(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 4841347 OMBHBPLFCWBQNX-UHFFFAOYSA-N 324.446 2.901 0 50 DFAA CCOC(=O)[C@@H]1CCCN(CCCOc2ccccc2F)C1 6701799 PKVNMKAPUVNDQQ-CQSZACIVSA-N 309.381 2.870 0 50 DFAA O=C(CCCn1cccc1)N[C@@H]1CCN(c2ccc(F)cc2)C1 412952005 PIIPRFQSMMYOTJ-MRXNPFEDSA-N 315.392 2.803 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CC[C@@H](O)[C@H](C)C3)[nH]n2)cc1C 225443738 GTAWUDCPMVDXQQ-CXAGYDPISA-N 313.401 2.536 0 50 DFAA CCc1noc(C)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 8074542 UETZHBIZSSMTJV-UHFFFAOYSA-N 317.364 2.647 0 50 DFAA CCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1nnn[nH]1 245958622 WZECYYYQVJMWOE-FQUUOJAGSA-N 305.426 2.764 0 50 DFAA C[C@H](NC(=O)Cc1ccon1)c1nc2ccccc2n1C(F)F 344332959 TUQRBXUGZORJDD-VIFPVBQESA-N 320.299 2.839 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2OC(F)F)[C@H]2C=C[C@H]1C2 100798454 ADSJURQETKKVPA-VDUILEQBSA-N 323.295 2.749 0 50 DFAA C[C@H]1CN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@H](C2CC2)O1 280491897 VQLQFXAHVKOPRH-MQIPJXDCSA-N 304.390 2.662 0 50 DFAA CC(C)(C)CC(=O)N1CCC(C(=O)Nc2ccncc2)CC1 24701695 NHHVPZSVWWCBIZ-UHFFFAOYSA-N 303.406 2.695 0 50 DFAA CN(C[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)OC(C)(C)C 306376174 VJOVZTLHPIJFNX-MRXNPFEDSA-N 320.433 2.754 0 50 DFAA CCOc1cc2c(cc1OCC)CN([C@@H]1C[C@@H](C)OC1=O)CC2 229268169 KCWUCCXCGPIXTA-IUODEOHRSA-N 319.401 2.546 0 50 DFAA Cc1ccc([C@](C)(O)CS(=O)(=O)Cc2ccccc2)cc1 1388770 LHDZFZJIKGOEJH-QGZVFWFLSA-N 304.411 2.818 0 50 DFAA CSC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1 253430328 FFLZPKMNDIKTRJ-ZIAGYGMSSA-N 313.438 2.640 0 50 DFAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1nnc[nH]1 153051068 UNYIHQLNHAQLPQ-LLVKDONJSA-N 321.450 2.845 0 50 DFAA Cc1ncsc1CCC(=O)NCCCc1ccc(O)cc1 214950759 IHGHUZZEQFIWBA-UHFFFAOYSA-N 304.415 2.839 0 50 DFAA CCn1ccnc1C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1 365862225 QJFFBEWUHUZOJM-LBPRGKRZSA-N 315.377 2.531 0 50 DFAA Brc1ccc(C2(NCCC3OCCO3)CC2)cc1 125406659 UWWCMFFLZYKBBB-UHFFFAOYSA-N 312.207 2.791 0 50 DFAA O=C(O)C[C@@H]1CCN(Cc2c(Cl)ccc(O)c2Cl)C1 216231179 PVEQZRBAWJMHDO-QMMMGPOBSA-N 304.173 2.996 0 50 DFAA COc1cnc(NC(=O)N2CCC[C@H]2c2cccnc2)s1 331550461 OFJSQCQWBGZFEB-NSHDSACASA-N 304.375 2.916 0 50 DFAA COc1ccc(C(=O)N2CCC[C@@H](N)C2)cc1-c1ccccc1 157752550 YCQQTTKNQYVQGA-MRXNPFEDSA-N 310.397 2.926 0 50 DFAA CCN(C(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1cccnc1C 332590298 JEEPPOOXPBDBDU-DYVFJYSZSA-N 312.369 2.971 0 50 DFAA CC(C)C[C@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@@]1(C)O 72152192 OCXHRUSCALBZEB-SUMWQHHRSA-N 306.406 2.811 0 50 DFAA Cc1csc(-c2cccc(C(=O)N[C@@H](C(=O)O)C(C)C)c2)n1 236716966 RYDLFQRPIUIASZ-CYBMUJFWSA-N 318.398 2.958 0 50 DFAA O=C(O)c1cnc(N2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 77387144 BDNVKXGLLMBABN-SECBINFHSA-N 306.753 2.540 0 50 DFAA COc1ccc(CN(C)Cc2cc(-c3ccccn3)no2)cn1 215297240 COWHTDNJEYQGIU-UHFFFAOYSA-N 310.357 2.772 0 50 DFAA N[C@@H]1CC[C@@H](NC(=O)c2ccccc2OC(F)(F)C(F)F)C1 72163493 OGMXUIDKORNPIB-RKDXNWHRSA-N 320.286 2.533 0 50 DFAA CCc1cc2c(=O)n(CCCn3ccnc3)c(=S)[nH]c2s1 17055437 VQZHYNBQLDGCOS-UHFFFAOYSA-N 320.443 2.970 0 50 DFAA CCN(Cc1noc(C)n1)C(=O)CCC(=O)c1ccc(F)cc1 223298477 NFYXQMDVURXEDK-UHFFFAOYSA-N 319.336 2.529 0 50 DFAA CCC[C@]1(CO)CCN(C(=O)c2c(F)ccc3ccncc23)C1 614953038 TUFOUQWPDWFCLO-SFHVURJKSA-N 316.376 2.999 0 50 DFAA Cc1nc2ccc(C(=O)N3CCC(c4ncon4)CC3)cc2o1 426535701 KRNIFNUKAGQYBL-UHFFFAOYSA-N 312.329 2.539 0 50 DFAA Cc1noc([C@@H](C)N(C)C(=O)c2[nH]cnc2-c2ccccc2)n1 426551740 CWMSXYRQRZLKAI-SNVBAGLBSA-N 311.345 2.601 0 50 DFAA COc1ccccc1CN(CC(C)C)C(=O)N[C@@H]1CCOC1 426383100 HWWHPGSYJRMLLZ-OAHLLOKOSA-N 306.406 2.652 0 50 DFAA O=C(NC[C@H]1CCCCN(Cc2ccccc2)C1)c1ccnnc1 291321464 VKYZBXHJTDBYPY-QGZVFWFLSA-N 324.428 2.509 0 50 DFAA O=C(NCCc1ccccc1F)c1cccc(-c2nc[nH]n2)c1 97515213 HHUJPYLSHYANDA-UHFFFAOYSA-N 310.332 2.583 0 50 DFAA COCC1(C(=O)NCCc2cccc(C(F)(F)F)c2)CC1 97413309 KVDCYTKVMAXTMQ-UHFFFAOYSA-N 301.308 2.791 0 50 DFAA COCCN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C)C2 91794171 YRALBPLQINBZNW-GOSISDBHSA-N 302.462 2.834 0 50 DFAA COc1cc(C(=O)N2CC[C@H](n3cccn3)C2)ccc1Cl 293267316 LLNKTRVEPMZWRC-LBPRGKRZSA-N 305.765 2.632 0 50 DFAA CC(C)[C@H]1C=CCN1C(=O)c1cnc(-c2cccs2)nc1O 91817819 VCHBTGYEFKLTHH-GFCCVEGCSA-N 315.398 2.947 0 50 DFAA C[C@@H]1CN(Cc2cc(CN3CCCC3)cs2)CC[C@]1(C)O 91707395 LLUUNBDTDNMLRG-PBHICJAKSA-N 308.491 2.937 0 50 DFAA OCC[C@@H]1CCCN1Cc1cnn(-c2cccc(Cl)c2)c1 97570917 CFDMWLPMKPQLEH-HNNXBMFYSA-N 305.809 2.873 0 50 DFAA COc1ccc(Cc2nc(C)nn2CC(F)(F)F)c(OC)c1 96150714 DSTSNTZXYHFTIC-UHFFFAOYSA-N 315.295 2.757 0 50 DFAA COc1ccc(N(C)C(=O)c2cn(C(C)(C)C)nc2C)cn1 182392110 RRULDIBUGKKKGM-UHFFFAOYSA-N 302.378 2.627 0 50 DFAA Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc2c1CCCC2 297023999 GZQZMHBKBUWJRI-INIZCTEOSA-N 310.401 2.671 0 50 DFAA COCc1ccc(C(=O)N[C@H](c2nccn2C)C2CC2)s1 534671755 XXFULDYYAPGCRQ-ZDUSSCGKSA-N 305.403 2.509 0 50 DFAA O=C(CCc1cn[nH]c1)N(Cc1ccccc1)C[C@@H]1CCCO1 629975466 QRISWQXCPWEAEH-KRWDZBQOSA-N 313.401 2.550 0 50 DFAA CN(C[C@@H]1CCCCO1)C(=O)Cn1ccnc1-c1ccccc1 299774686 IRQWIXZEOCQIGX-INIZCTEOSA-N 313.401 2.578 0 50 DFAA CCc1nccn1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1 823557196 FYDKJSMPDUXION-OAHLLOKOSA-N 301.365 2.948 0 50 DFAA COC(=O)CNC(=O)CCCc1cc(Cl)sc1Cl 86969434 GIUIEPVQFMZTTD-UHFFFAOYSA-N 310.202 2.667 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 269186855 BKTUNKUGOBBJMC-MELADBBJSA-N 312.335 2.759 0 50 DFAA CCN1CC[C@@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@H]1C 169987783 ADLBMWXQSMXSFM-QWHCGFSZSA-N 319.453 2.768 0 50 DFAA O=C(Nc1cccc(CO)n1)[C@H]1C[C@@]12CCCc1ccccc12 170088552 UFWFDMRHMMXPMZ-VQIMIIECSA-N 308.381 2.807 0 50 DFAA O=C(N[C@@H]1CCc2ccccc2C1)c1cn[nH]c1C(F)(F)F 170599077 KQGREPMWIGIQHJ-LLVKDONJSA-N 309.291 2.716 0 50 DFAA Cc1ccc(CN2CCOCC2)cc1NC(=O)C1CC2(CC2)C1 668977914 LAUDOMZUMCMMIC-UHFFFAOYSA-N 314.429 2.956 0 50 DFAA OCC1([C@H](NCc2c(F)cccc2F)[C@H]2CCCO2)CCC1 585116494 YPCIQGZEFNBZEF-HZPDHXFCSA-N 311.372 2.765 0 50 DFAA O=C(c1ccc(F)c2cccnc12)N1CC[C@@H](O)C12CCCC2 1615590991 RYTFRAVJBPFWIB-OAHLLOKOSA-N 314.360 2.894 0 50 DFAA c1ccc([C@H]2CCCN(c3ncnc4c3nnn4C3CC3)C2)cc1 1615586597 WCVPSKIBWKMDFI-AWEZNQCLSA-N 320.400 2.940 0 50 DFAA CN(CCCCc1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704326329 VCBKKIIRJIDXSE-FGTMMUONSA-N 300.446 2.856 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(Br)cc1Cl 402015 VHIJLYIDGWDPAZ-UHFFFAOYSA-N 306.543 2.906 0 50 DFAA Cc1cc(S(=O)(=O)Nc2c(Cl)c(C)nn2C)sc1C 585129454 KBWAYAANAHRFHN-UHFFFAOYSA-N 319.839 2.861 0 50 DFAA CC(C)c1csc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)n1 1775981248 BVQGCICPRVLGIS-GFCCVEGCSA-N 324.446 2.580 0 50 DFAA COc1cc(CN2CCC(=O)N(CC(C)C)CC2)ccc1F 12128854 SGFPFUBWDUPOBK-UHFFFAOYSA-N 308.397 2.525 0 50 DFAA CC(C)Sc1ccccc1C(=O)NCCCN1CCOCC1 12382822 AXXRGUZOPIOZGO-UHFFFAOYSA-N 322.474 2.639 0 50 DFAA O=C(NCc1ccco1)c1cccc(NC(=O)c2ccncc2)c1 12406027 QQMDTYHUGNJOIJ-UHFFFAOYSA-N 321.336 2.857 0 50 DFAA C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)C[C@@H](C)O1 13328026 HRISIDQLZSIMGN-ZIAGYGMSSA-N 317.429 2.969 0 50 DFAA COc1ccc([C@H]2Cc3cccc(O)c3C(=O)O2)cc1OC 13339934 WKNXOKHAEDTQCX-CQSZACIVSA-N 300.310 2.864 0 50 DFAA biogenic,in-vitro COc1ccc(C)nc1N1CCC(c2nnc3ccccn23)CC1 1857680911 QYYXRKJWWGJCMP-UHFFFAOYSA-N 323.400 2.825 0 50 DFAA Cc1nc2ccccc2nc1-c1nccn1[C@@H](C)Cn1cncn1 1857692988 CICUVTYMLPIQAF-LBPRGKRZSA-N 319.372 2.654 0 50 DFAA CCC[C@@]1(CO)CN(Cc2ccc(F)cc2Cl)CC[C@@H]1O 1857734526 UZITZBXDFUOMTL-HOTGVXAUSA-N 315.816 2.825 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2F)n[nH]1 408470063 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2.677 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1nc(-c2ccccc2)no1 1875282436 DVKGZWMSGOXOTP-SECBINFHSA-N 311.345 2.568 0 50 DFAA Cc1cnccc1-c1ccc(C(=O)N[C@@H]2CCC[C@H]2O)s1 1875265830 IDZOSLKLKSCAPD-CHWSQXEVSA-N 302.399 2.762 0 50 DFAA CCCC(CCC)C(=O)N1CCC[C@H](n2cc([C@H](C)O)nn2)C1 1875323863 VQDHZIVFWTUYED-ZFWWWQNUSA-N 322.453 2.711 0 50 DFAA C[C@H](CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]21)n1cc(-c2ccsc2)nn1 1875323187 AQCPWPSEVHLINQ-OXHZDVMGSA-N 316.430 2.730 0 50 DFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccnn3C(C)C)[C@H]2C)o1 886085080 ZSQABZFDYJDQFV-AAEUAGOBSA-N 317.393 2.564 0 50 DFAA Cc1noc(C[C@@H]2CCCN(C(=O)NCC3CCCC3)C2)n1 892022036 RYEJSSIPOTWLPT-AWEZNQCLSA-N 306.410 2.532 0 50 DFAA COC(=O)C1CC(Sc2nnc(-c3ccc(F)cc3)n2C)C1 1775988627 UFHXJRZXPIWHIR-UHFFFAOYSA-N 321.377 2.665 0 50 DFAA COC[C@@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1 408516835 PQQGEDMDOBCLLU-VIFPVBQESA-N 310.703 2.605 0 50 DFAA Cc1[nH]c2ccccc2c1CCC(=O)N[C@H]1CCC[C@H](O)C1 2325807551 CDJNEQZILQTITR-KBPBESRZSA-N 300.402 2.829 0 50 DFAA CC1(C)C[C@H](CC(=O)N2CC(c3ccc(C(=O)O)cc3)C2)CO1 2325812825 KMTOIEDCIIEZQO-LBPRGKRZSA-N 317.385 2.516 0 50 DFAA NCc1ccccc1-c1ccc(C(=O)N2CCn3ccnc32)cc1 2325858713 XZGCGJUUDKOREI-UHFFFAOYSA-N 318.380 2.669 0 50 DFAA CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 123170693 CJOIDUBDFNYFKX-LPHOPBHVSA-N 314.429 2.861 0 50 DFAA Cn1cc(C(=O)Nc2ccccc2)c(C(=O)Nc2ccccc2)n1 20617618 OJRQIKYHEOEWGQ-UHFFFAOYSA-N 320.352 2.925 0 50 DFAA CCOc1ccc(N2C(=O)C[C@H](NC3CCCCC3)C2=O)cc1 100508 LMKCAQQRBDNKAQ-INIZCTEOSA-N 316.401 2.640 0 50 DFAA CCOC(=O)c1cnc(SCc2cccc(C)c2)nc1N 217377 BLDAULFEUGVSEN-UHFFFAOYSA-N 303.387 2.836 0 50 DFAA COc1ccc([C@@H](NC(=O)CCC(=O)O)c2ccccc2)cc1 286238 XHMRAEZVDWRESM-SFHVURJKSA-N 313.353 2.766 0 50 DFAA Cn1cnnc1SCC(=O)c1ccc(Br)cc1 291410 FJTRTYKGIUHSTM-UHFFFAOYSA-N 312.192 2.553 0 50 DFAA CCOC(=O)CNc1sc2c(c1C(=O)OCC)CCCC2 477027 RGWLBMKNDPXXJJ-UHFFFAOYSA-N 311.403 2.779 0 50 DFAA O=C(Nc1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1 1232232 UKNLMQCKKDLMKI-UHFFFAOYSA-N 301.367 2.632 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)CC1 2356158239 FZZBPMJSHQDSFX-KOMQPUFPSA-N 316.401 2.501 0 50 DFAA CCCCc1n[nH]c(SCC(=O)NCc2ccccc2)n1 2782800 KGEBYWKQWATSBT-UHFFFAOYSA-N 304.419 2.556 0 50 DFAA CO[C@]1(C)C[C@H](N(C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1(C)C 248840683 NSGXFPXXFXIHNE-YRBFXIGRSA-N 324.465 2.789 0 50 DFAA CCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2)CC1 9340725 GTOIOYDKOPGPSH-AWEZNQCLSA-N 302.418 2.844 0 50 DFAA COC(=O)[C@H]1CCCN1CC(=O)Nc1c(C)cccc1C(C)C 112627609 XFEXDKWYVPHEBR-OAHLLOKOSA-N 318.417 2.694 0 50 DFAA CC(C)c1noc(CCNC(=O)Cn2ccc3ccccc32)n1 109227726 VLYZKZOWQSONFL-UHFFFAOYSA-N 312.373 2.507 0 50 DFAA Cc1c(CN[C@@H]2CCCN(CC3CCCCC3)C2)cnn1C 20774575 HTZGCTQBAWNBBM-GOSISDBHSA-N 304.482 2.863 0 50 DFAA OCC[C@H]1CN(C2CCCC2)CCN1Cc1ccc(F)c(F)c1 23373737 XFVFYQWVHFMHCP-INIZCTEOSA-N 324.415 2.776 0 50 DFAA O[C@H](COc1ccc(F)cc1)CN1CCC[C@@H](C(F)(F)F)C1 229105104 YAOMQNJTYUSQLR-YPMHNXCESA-N 321.314 2.840 0 50 DFAA CC(C)c1ocnc1C(=O)NC[C@H]1CCN(Cc2ccco2)C1 67922002 BFHUEEXPKABRFJ-CYBMUJFWSA-N 317.389 2.643 0 50 DFAA CCO[C@@H]1C[C@H](N(C)Cc2cn3cccnc3n2)C12CCC2 120900238 KJVXYHWUONKGJW-LSDHHAIUSA-N 300.406 2.509 0 50 DFAA Cc1cc(C)n([C@H]2CCN(Cc3cccn3-c3ncccn3)C2)n1 65451239 KTJWRQMYCMNJBY-KRWDZBQOSA-N 322.416 2.528 0 50 DFAA O=C(N[C@H]1CC(=O)c2cc3c(cc21)OCO3)c1cccs1 1384215 YRPUJJVRYIRYCJ-JTQLQIEISA-N 301.323 2.534 0 50 DFAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)C[C@H]1CCCO1 252517863 SXFVYIUEOBLQNX-BRSBDYLESA-N 315.413 2.762 0 50 DFAA Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccn(C)n2)c1C 2768648 XEEVQZROJUYSLJ-UHFFFAOYSA-N 323.400 2.842 0 50 DFAA C[C@@H]1Oc2c(cccc2C(=O)N[C@]2(C)CC=CCC2)NC1=O 408470686 WUMHOLMFNJEOAP-APPDUMDISA-N 300.358 2.635 0 50 DFAA CCOC(=O)CCNC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 35511437 SFDNTGJWWHFSTA-CYBMUJFWSA-N 323.393 2.598 0 50 DFAA CCN1CC[C@@H](CNC2CCN(CCc3ccccc3)CC2)C1 124177797 YMDGUXUPAUXURQ-IBGZPJMESA-N 315.505 2.625 0 50 DFAA O=C(Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1 32491816 YDCITWCFBREJDG-UHFFFAOYSA-N 302.334 2.784 0 50 DFAA O=S1(=O)CC[C@H](CN2CC3(CCCC3)c3cccc(F)c32)C1 253433219 UDPOPRWACPPNSR-CYBMUJFWSA-N 323.433 2.892 0 50 DFAA Cc1ccncc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72153976 LISRXDQUZRUXFG-LJQANCHMSA-N 321.380 2.516 0 50 DFAA COc1ccc(F)cc1[C@@H](C)NC(=O)c1cnn2c1CCCC2 126305379 KXYPWOBGLIQRHE-LLVKDONJSA-N 317.364 2.858 0 50 DFAA c1cc(NCc2cn3cccnc3n2)cc(OC[C@H]2CCCO2)c1 153000290 PRIQOVBKTYXXBX-QGZVFWFLSA-N 324.384 2.899 0 50 DFAA COCCNC(=O)c1cc(-n2cccc2)ccc1Br 32646441 HFTBCEYXIJOWMU-UHFFFAOYSA-N 323.190 2.616 0 50 DFAA Cc1ccc(-c2ocnc2C(=O)N2CCOCC[C@H]2C)cc1 362034327 ASRNIOFAERKYBC-CYBMUJFWSA-N 300.358 2.901 0 50 DFAA COc1cccc(OC)c1-c1ccc(CN2CCOCC2)cn1 215013729 YZYGMEDCSXSQBM-UHFFFAOYSA-N 314.385 2.598 0 50 DFAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cccnc1S 155923723 OPVPUHHBJJSCRS-CQSZACIVSA-N 314.410 2.614 0 50 DFAA COc1ccc(CCC(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237187560 CUQRCAJJTCRKIF-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CC[C@H](CCCO)C1 457120929 RAZROLFQIIRIRF-GJZGRUSLSA-N 305.418 2.810 0 50 DFAA O=C(c1ccoc1)N1CCCN(Cc2ccc(Cl)nc2)CC1 371577585 KUJKOWTUVROTRA-UHFFFAOYSA-N 319.792 2.676 0 50 DFAA CCc1cc(NCc2nc(C)cc(C)n2)n2nc(C)c(C)c2n1 72453982 NFYGKBUSERXVJI-UHFFFAOYSA-N 310.405 2.927 0 50 DFAA O=C(O)[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1 262279692 KOYOTUZXSPJIIC-RETIQXCHSA-N 305.761 2.794 0 50 DFAA O=C1CC[C@]2(CCCO2)CCN1Cc1noc(C2CCCC2)n1 72153169 YURZDYHZPSAXEL-QGZVFWFLSA-N 319.405 2.789 0 50 DFAA CC(C)[C@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1 172975036 UYXCRCWEVQANGO-SFHVURJKSA-N 324.428 2.565 0 50 DFAA CO[C@H](C)c1cccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)c1 241173045 KFOXKXYRJZQTFU-RZQILNRJSA-N 318.417 2.923 0 50 DFAA CCN(CCCN(C)C)C(=O)Cc1c[nH]c2ccc(OC)cc12 241942380 UMCIYYBGUXMFHT-UHFFFAOYSA-N 317.433 2.519 0 50 DFAA Fc1ccc(/C=C/CN2CCC[C@H](N3CCOCC3)C2)cc1 20906511 LOQBNTCAVFNXEK-FVIAUOKHSA-N 304.409 2.636 0 50 DFAA Clc1ccccc1CCNc1cc([C@@H]2CCOC2)ncn1 426517754 BIFIFFSGMDCZQK-CYBMUJFWSA-N 303.793 3.289 0 50 DFAA CCN1CCC[C@](C)(C(=O)NCCCc2nc(C)c(C)s2)C1 95383261 XUHFLUREUVONLV-KRWDZBQOSA-N 323.506 2.931 0 50 DFAA O=C(COC1CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337270903 BHZPQXXWZYZJLV-BRWVUGGUSA-N 309.450 2.878 0 50 DFAA CC(C)=CC(=O)N1CC[C@@]2(O)CCN(C3CCCCC3)C[C@H]2C1 91769003 SLUJCZGYMFYZRP-LPHOPBHVSA-N 320.477 2.571 0 50 DFAA Cc1ccc2[nH]c(CN(C)C(=O)[C@H]3CCCCCN3C)nc2c1 91952295 GPFNBRICWMRYTK-MRXNPFEDSA-N 314.433 2.704 0 50 DFAA CC[C@H](O)Cn1nc(Cc2ccccc2OC)nc1C(C)C 91503862 IUWNUVUXQJXJOB-AWEZNQCLSA-N 303.406 2.772 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(C)(C)O1 180525886 HVNYJPWDMPLQOY-HNNXBMFYSA-N 313.401 2.948 0 50 DFAA Cc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)nc(C)n1 347997340 DLTAVQHHDSBCRE-UHFFFAOYSA-N 324.428 2.619 0 50 DFAA Cc1noc(C)c1S(=O)(=O)NCc1ccc2sccc2c1 349802503 QPJQUGVJMQCTEB-UHFFFAOYSA-N 322.411 2.985 0 50 DFAA CN(C(=O)[C@@H]1CCn2ccnc2C1)c1ccc(F)c(Cl)c1 182141153 AOJLDPYBZLGUCY-SNVBAGLBSA-N 307.756 2.901 0 50 DFAA C[C@@H](NCCn1ccnc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 182519121 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Cc1cc(C(F)(F)F)n(-c2nc(-c3n[nH]c(C)n3)cs2)n1 670449856 OGBVKDHNTIQOTQ-UHFFFAOYSA-N 314.296 2.750 0 50 DFAA CC(C)Cc1nc(-c2cccc(-c3cn[nH]c3)c2)n(CCO)n1 952990908 JTNHEUDDSHBSGC-UHFFFAOYSA-N 311.389 2.526 0 50 DFAA O=C(O)COc1cccc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)c1 630135034 GEZHEAMODCOOBU-KBAYOESNSA-N 323.348 2.674 0 50 DFAA O=c1[nH]nc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)s1 170607392 YTADVQBUWBMVGC-MRXNPFEDSA-N 323.421 2.979 0 50 DFAA CC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)Oc2ccccc21 730497009 GEHKMBNEGDYMPX-SCLBCKFNSA-N 324.380 2.678 0 50 DFAA Cc1nc(-c2cccc(CNC(=O)[C@H]3CCCO3)c2)cs1 585131346 SHVBKKBPFKAXAM-OAHLLOKOSA-N 302.399 2.914 0 50 DFAA O[C@H](c1ncc[nH]1)C1CCN(c2ncc(Cl)cc2F)CC1 795172352 SJQNBTIROGYTGQ-LBPRGKRZSA-N 310.760 2.547 0 50 DFAA COc1ccc([C@@H](C(=O)O)N2C[C@H]3CC=CC[C@H]3C2)cc1OC 1506410235 JTGBRPGLPRJHON-VBQJREDUSA-N 317.385 2.728 0 50 DFAA CCCn1nccc1NC(=O)c1nc2ccc(C)cn2c1F 1529127069 ZRMLOIVJGCQQQW-UHFFFAOYSA-N 301.325 2.641 0 50 DFAA C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1F 120892899 NCWSBJNUISJDFP-IUCAKERBSA-N 303.736 2.994 0 50 DFAA CNCc1nnc(N(C)C[C@]2(c3ccccc3)CC2(C)C)o1 1772700743 DTHGRNUWAJGSSM-KRWDZBQOSA-N 300.406 2.593 0 50 DFAA Cc1cc(OC(=O)C[C@H]2C=CS(=O)(=O)C2)ccc1Cl 5277050 IOAPMEKNHXZYAP-SNVBAGLBSA-N 300.763 2.502 0 50 DFAA O=C(O)c1ccccc1C(=O)c1nc2c([nH]1)-c1ccccc1C2=O 5687452 GKGSAINEYBYADD-UHFFFAOYSA-N 318.288 2.550 0 50 DFAA C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccccc2Cl)C1 12768841 TUWCEUXKVDTOIR-GFCCVEGCSA-N 308.809 2.718 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)n[nH]1 15064548 QZPJCPMKGFQCTF-AWEZNQCLSA-N 304.438 2.635 0 50 DFAA O[C@@H](c1cccs1)C1CCN(Cc2nc(C3CC3)no2)CC1 19146901 NHALDRMAUFHXHA-OAHLLOKOSA-N 319.430 2.954 0 50 DFAA Cc1c[nH]c(CN(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)n1 19940001 KSVYDKXZMZBVDD-SFHVURJKSA-N 324.472 2.782 0 50 DFAA Cc1cc(CC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)n(C)n1 421530059 UHDMWIYYOCJHIQ-KRWDZBQOSA-N 311.429 2.923 0 50 DFAA CC[C@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@H](CC)O1 421982423 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DFAA CC[C@@H]1COC[C@H]1N=c1nc(-c2ccncc2)[nH]c2ccccc12 1875267479 DAJMVSCYZXJPAS-CXAGYDPISA-N 320.396 2.951 0 50 DFAA COc1cccc(CN(C=O)Cc2c[nH]nc2C(C)(C)C)c1 1875325651 RNTQSTQPZNJCBD-UHFFFAOYSA-N 301.390 2.874 0 50 DFAA C1CCc2sc(CNC3CSCCSC3)nc2C1 584898139 ZKWUFYVSSPERTP-UHFFFAOYSA-N 300.518 2.960 0 50 DFAA Brc1cnsc1CN1CCN2CCCC[C@@H]2C1 719856803 RUBZLRACHOIVAS-SNVBAGLBSA-N 316.268 2.576 0 50 DFAA c1ccc2c(C3=NO[C@@]4(CCOC5(CCC5)C4)N3)nccc2c1 2325768155 ZAPXLTMESCKMIA-GOSISDBHSA-N 309.369 2.946 0 50 DFAA Cc1ccc([C@H](NC(=O)c2cnn3ccc(C)cc23)C(=O)O)cc1 2325865858 SQDBWKWAARWXPF-INIZCTEOSA-N 323.352 2.507 0 50 DFAA Cc1cc(CC(=O)N2CC[C@H](c3ccccc3)[C@H](O)C2)cc(C)n1 2356154547 ZSJZPVGVOLVOCL-RTBURBONSA-N 324.424 2.618 0 50 DFAA CCOC(=O)/C=C/C(=O)Nc1nc(-c2ccccc2)cs1 2940721 LJWLNXIGZBTSFQ-CMDGGOBGSA-N 302.355 2.868 0 50 DFAA O=C(O)[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 4237859 DTVJQXLOBLQNJS-ZCFIWIBFSA-N 307.655 2.796 0 50 DFAA O=C([C@H]1CCCN(CCCc2ccccc2)C1)N1CCCC1 4745291 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O=C1CCN(Cc2ccccc2OCCc2ccccc2)CCN1 214966672 ZFCBBYQFMSLTOA-UHFFFAOYSA-N 324.424 2.630 0 50 DFAA Cc1ccc(-c2noc(N3CC[C@H](c4nc(C)no4)C3)n2)cc1 333644133 CPBZDZPMOZBXMM-ZDUSSCGKSA-N 311.345 2.730 0 50 DFAA CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCCCS1 337007183 AJAHAMIQFAZHQT-QWHCGFSZSA-N 314.495 2.575 0 50 DFAA O=C(NCCCCN1CCCCCC1)[C@H](O)c1cccc(F)c1 216549550 FWIMBFUZQICUKB-QGZVFWFLSA-N 322.424 2.632 0 50 DFAA O=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 237968479 CYEMVTXIENCLGB-MRXNPFEDSA-N 317.385 2.949 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cn1 237978197 SIFJWBSQVCRKJH-OAHLLOKOSA-N 314.316 2.896 0 50 DFAA O=C(c1ncccc1O)N1CCO[C@H](CC2CCCCC2)C1 71707861 UYIMUXHLEJYTTJ-CQSZACIVSA-N 304.390 2.599 0 50 DFAA C[C@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@@H]1C(=O)OCCOc1ccccc1 229401606 OERJGQPUNVLUNV-AZAGILFBSA-N 318.369 2.586 0 50 DFAA O=C(C[C@H]1CCOC1)NCc1nc(-c2ccc(F)cc2)cs1 426549119 HQWRYSMHUVIGAA-LLVKDONJSA-N 320.389 2.992 0 50 DFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)C1 179015998 OGSAQXZOPFRRQI-CVEARBPZSA-N 318.461 2.954 0 50 DFAA CC[C@H](NC(=O)c1cc(Cl)cn1C)c1cn2cccnc2n1 426427874 BWKHYTUMARITHD-NSHDSACASA-N 317.780 2.602 0 50 DFAA CC(C)c1cc(C(=O)N2CCC(CCn3cccn3)CC2)no1 82148364 OWJOOHJYXLSQFI-UHFFFAOYSA-N 316.405 2.937 0 50 DFAA CC(C)(C)OC(=O)N1CCc2nc(C(C)(C)C)nc(O)c2C1 238148516 UPKZZAFUYQCABJ-UHFFFAOYSA-N 307.394 2.773 0 50 DFAA Cn1cc(C2CCN(C(=O)NCC3=CCCCC3)CC2)cn1 297179431 MLRODOKEJNKQSY-UHFFFAOYSA-N 302.422 2.810 0 50 DFAA COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CCC(=O)O)c1 299743712 OYKSXKWBTOHPNM-ZDUSSCGKSA-N 321.373 2.563 0 50 DFAA Cc1nc(C)n(CCNC(=O)Nc2cc(Cl)ccc2C)n1 299798194 RCWMTHMFVNHQFF-UHFFFAOYSA-N 307.785 2.678 0 50 DFAA Cc1cc(CC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)on1 584785368 PPVYNCBWDCQJQX-HNNXBMFYSA-N 316.357 2.722 0 50 DFAA COc1cccc2ccc(NC[C@H]3CC(=O)N(C4CC4)C3)nc12 824804985 NJXINBIBLPJOBN-GFCCVEGCSA-N 311.385 2.666 0 50 DFAA O=C(CSCc1cccc(Br)c1)NC1CC1 2984939 UYNMNAZVZSGRLD-UHFFFAOYSA-N 300.221 2.961 0 50 DFAA CCCN(C/C=C/c1ccccc1)C(=O)Cn1nc(C)cc1N 952983438 FARURJSJSNPPHL-JXMROGBWSA-N 312.417 2.726 0 50 DFAA Cc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(C)o1 408521936 AOCTZVZYTQRMSQ-RRFJBIMHSA-N 306.406 2.837 0 50 DFAA Cc1nscc1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 272694823 HDYYZMNWIYYDIK-NSHDSACASA-N 318.402 2.732 0 50 DFAA COCC1=CCN(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 185398773 MXSZPWMTULTCPG-HNNXBMFYSA-N 316.401 2.541 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc3ncccc3c2)cn1 275622624 RSWLHECIAOLZTJ-RBUKOAKNSA-N 322.412 2.978 0 50 DFAA C[C@@H](O)CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 170086137 RCFVZAQFZFESKX-HUUCEWRRSA-N 318.461 2.511 0 50 DFAA Cn1c(CCNC(=O)[C@H]2C[C@H]2C2CCC2)nc2ccc(F)cc21 170020876 DDGRRFVAPXIDOB-KBPBESRZSA-N 315.392 2.807 0 50 DFAA COc1cc(-c2ccccc2)ccc1CNC[C@@]1(O)CCOC1 170593672 HCQZYAOGDTWHKQ-IBGZPJMESA-N 313.397 2.603 0 50 DFAA Cc1oc(-c2ccccc2)nc1CN1CC[S@](=O)CC1(C)C 170599839 NQIFQMFATIOYSV-QFIPXVFZSA-N 318.442 2.993 0 50 DFAA CS(=O)(=O)C1(CNCc2ccc(Cl)c3cccnc23)CC1 279651871 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CC(C)[C@H]1CN(C(=O)c2nccn2C)C[C@@H](c2ccccc2)O1 1875245755 PEBVMOMZLKDDEC-CVEARBPZSA-N 313.401 2.658 0 50 DFAA O=C(OCC1c2ccccc2-c2ccccc21)N1CCNCC1 388703 GZBLLBMXRTZBSX-UHFFFAOYSA-N 308.381 2.841 0 50 DFAA biogenic,in-vitro CCn1cc([C@@H]2N=C(O)CC[C@H]2NC2CCC(OC)CC2)cn1 328621432 ALIHDBHMXUWZHS-BOXZVXIZSA-N 320.437 2.610 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)c3cccc(F)c3Cl)C2)n1 332068450 AHUQFQCZBPEPGJ-VIFPVBQESA-N 309.728 2.800 0 50 DFAA CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 9846118 AGQWIWVWFLIEKQ-UHFFFAOYSA-N 318.417 2.950 0 50 DFAA in-vitro O=C(N[C@@H](CCO)C1CCCCC1)c1ccc2c(c1)OCCO2 130070578 UBBBLWCKHOVWPH-HNNXBMFYSA-N 319.401 2.519 0 50 DFAA Cn1nccc1CN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 130419216 OWHRAHCDAXLELM-OAHLLOKOSA-N 323.343 2.595 0 50 DFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@@H](C)OC[C@H]1C 248705856 HLXOJSVGPYIUGD-UPJWGTAASA-N 322.453 2.826 0 50 DFAA O=C(Cc1ccoc1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 357747106 QYZNVGLFZXSHNN-KBPBESRZSA-N 322.405 2.612 0 50 DFAA CCC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2F)CC1 20819804 PLANWLCQUHDXGT-OAHLLOKOSA-N 324.440 2.514 0 50 DFAA COc1cccc2c1OCC[C@@H]2Nc1ncnc(N)c1Cl 365030469 RSYRKFACSKSXAR-VIFPVBQESA-N 306.753 2.657 0 50 DFAA CC(C)(CCC(=O)O)NC(=O)[C@H]1CCCc2c(O)cccc21 908947819 ZIFXMRPYHVTVGL-ZDUSSCGKSA-N 305.374 2.572 0 50 DFAA CCc1cc(C(=O)N[C@@H](C)c2nc(CC)cs2)cc(O)n1 910729652 OAHXXJRKOQRZOM-VIFPVBQESA-N 305.403 2.860 0 50 DFAA CC1(C)[C@H]2CN(S(=O)(=O)c3cccc4ccncc34)C[C@@H]21 914192401 WCYYKZDLVJTANZ-KBPBESRZSA-N 302.399 2.511 0 50 DFAA C[C@@H]1CCc2c(sc3nc(-c4ccc(O)nn4)nc(O)c23)C1 864091145 NKYHDLBELOCDLM-SSDOTTSWSA-N 314.370 2.684 0 50 DFAA O=C1NCc2cccc(NCc3cnc(-c4ccccc4)nc3)c21 1875316452 SFMGGNGYZANPII-UHFFFAOYSA-N 316.364 2.999 0 50 DFAA O=C(c1ccncc1)c1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1 1875381734 GAWPUQZFOYBTFO-LAUBAEHRSA-N 308.381 2.786 0 50 DFAA FC(F)(F)[C@H]1CC[C@@H](CCNC2CC(n3ccnc3)C2)O1 1875405750 NSYLOCWNLIXIPE-IFWUJCSASA-N 303.328 2.676 0 50 DFAA CC(C)N[C@@H]1CCCN(C(=O)C(C)(C)Nc2ccccc2)C1 893798752 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0 50 DFAA CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 4203028 WUEVXPVJRUPJLC-IYBDPMFKSA-N 302.418 2.985 0 50 DFAA CCOC(=O)[C@@H]1CCCCN1Cc1cc(OC)ccc1OC 4990112 BGXIENKQZQUYCY-HNNXBMFYSA-N 307.390 2.621 0 50 DFAA CCNC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C(C)C 6747243 ZJXJYDZRFDRYSL-UHFFFAOYSA-N 302.378 2.985 0 50 DFAA CC(=O)N[C@@H](c1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 101464608 QNVJQRMSYMCIIV-ROUUACIJSA-N 321.380 2.903 0 50 DFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1cccc(Cl)c1 101450889 MTBGZAOPOJSLPB-IMIFBBOLSA-N 307.777 2.703 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N([C@H](Cc2ccccc2)C2CC2)C1=O 348725195 BKRFLNUZZWMRTH-MAZHCROVSA-N 300.402 2.974 0 50 DFAA C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cccnc1S 134444124 KZVZZXZLKHXRKY-QMTHXVAHSA-N 320.389 2.751 0 50 DFAA CC(C)CN1CC[C@@H](CNC(=O)c2ccc(O)c(Cl)c2)C1 67908420 XBMHCDGMOWNCKS-LBPRGKRZSA-N 310.825 2.753 0 50 DFAA C[C@H]1CN(C(=O)CCCN2CCc3ccccc32)CC(C)(C)O1 253404642 CQRGGMMEBOGOBD-HNNXBMFYSA-N 316.445 2.855 0 50 DFAA CN(Cc1cnn(C)c1)C(=O)N[C@@H](C1CCCC1)C(F)(F)F 128101538 GBBICEDCLFVYGU-LBPRGKRZSA-N 318.343 2.683 0 50 DFAA CCc1cc(C(=O)N2N=C(C3CC3)C[C@]2(O)C(F)F)cs1 204550 MQHBGNBQHOIMHY-AWEZNQCLSA-N 314.357 2.876 0 50 DFAA C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1CCCO1 372025 COKYVJRWFPJIJA-TVQRCGJNSA-N 321.760 2.744 0 50 DFAA COCCC[C@@H]1CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 77406537 FTEDHZNDFWVCFK-HNNXBMFYSA-N 307.438 2.624 0 50 DFAA COc1cccc(C[C@H](C)NC(=O)c2ccc(C(=O)O)cc2)c1 357432976 FSOUBWUCAIUPDA-LBPRGKRZSA-N 313.353 2.754 0 50 DFAA CSCC[C@@H](N)C(=O)N(C)Cc1csc2ccccc12 152728471 CVGHXPXERZZAQN-CYBMUJFWSA-N 308.472 2.940 0 50 DFAA CCCCN1CCN(Cc2cccc([C@@H](C)N(C)C)c2)CC1=O 215142680 SYTWEXMYRBJLTB-MRXNPFEDSA-N 317.477 2.754 0 50 DFAA CC(=O)N[C@H]1Cc2ccccc2N(C(=O)c2ccoc2C2CC2)C1 366999343 VLWBWNRAVMXXFO-HNNXBMFYSA-N 324.380 2.865 0 50 DFAA Cc1nnc(N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)o1 285214747 XGCDXIBUNNXJIN-JOYOIKCWSA-N 313.279 2.709 0 50 DFAA c1coc(-c2nnc(CN3CCCN(C4CCCC4)CC3)o2)c1 172583248 SGIXFBUFELSWIA-UHFFFAOYSA-N 316.405 2.780 0 50 DFAA COc1ccc2c(ccn2CCC(=O)Nc2nncs2)c1 36357989 DFKSEDCGYNHEMG-UHFFFAOYSA-N 302.359 2.530 0 50 DFAA OC1(CN2CCCC2)CCN(Cc2cccc3cc[nH]c23)CC1 216483405 VEMVVGFZACNZLJ-UHFFFAOYSA-N 313.445 2.591 0 50 DFAA CCc1noc(C)c1CNC(=O)N1CC[C@H](C2CCOCC2)C1 333545768 SWIDEXRDISRAQG-AWEZNQCLSA-N 321.421 2.504 0 50 DFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccsn1)C2 333673398 CXOODAXTSMMURJ-UHFFFAOYSA-N 318.398 2.965 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CC[C@@H]1CC[C@@H](C)O1 237379315 NVPSYQXSTWSYPQ-YCPHGPKFSA-N 319.401 2.975 0 50 DFAA CCc1ccc2occ(C(=O)N3CCCC[C@H]3C(=O)NC)c2c1 285320410 XHLGEIBTXXUSNY-HNNXBMFYSA-N 314.385 2.736 0 50 DFAA Cc1ccccc1[C@@H](C(=O)NCCCc1ccccn1)N(C)C 221373570 ZFWVLBVJUZWRCD-SFHVURJKSA-N 311.429 2.742 0 50 DFAA CN(Cc1cccc2ncccc12)C(=O)C1(Cn2ccnc2)CC1 220094984 BOIJRRKSDHUNSR-UHFFFAOYSA-N 320.396 2.870 0 50 DFAA COC(=O)[C@H]1CN(c2ccccn2)C[C@@H]1c1ccc(F)cc1F 240555790 GXGLCLUVFCTYKO-KGLIPLIRSA-N 318.323 2.753 0 50 DFAA CCn1cc(C(=O)NC[C@@H](C)Cn2ccnc2)c2ccccc21 176402882 AWMUAYSUZMPBOX-CQSZACIVSA-N 310.401 2.924 0 50 DFAA CCCc1cc(C(=O)N[C@@H](C)c2c(C)nn(CC)c2C)no1 82116152 IGOGGFWSIGOHON-JTQLQIEISA-N 304.394 2.951 0 50 DFAA CC(=O)Nc1nc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)cs1 292528093 UUBRJEDHMOLYQU-LBPRGKRZSA-N 307.419 2.752 0 50 DFAA CC(=O)N[C@@H]1CN(Cc2cccs2)C[C@H]1c1ccc(C)o1 91625876 FIELEOUEJUTQGL-HUUCEWRRSA-N 304.415 2.754 0 50 DFAA CCc1ccc(CN(C)c2cc([C@@H]3CCOC3)nc(C)n2)nc1 426719906 LVQGYLAXXFILPO-OAHLLOKOSA-N 312.417 2.883 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)NCc1cnn2cccnc12 92076985 ZAAFWITUDDWCFB-UHFFFAOYSA-N 315.402 2.548 0 50 DFAA COC[C@@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2Cl)n1 293789434 BZFJXKNVFBJLDU-LBPRGKRZSA-N 319.792 2.695 0 50 DFAA COc1cc2c(cc1CN1CCC[C@@H]1c1n[nH]c(C)n1)CCC2 97307225 DGBVZCPGYVWAFH-MRXNPFEDSA-N 312.417 2.948 0 50 DFAA Cc1cc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)n[nH]1 23373134 UNKGWZYRBRQENQ-QGZVFWFLSA-N 316.424 2.954 0 50 DFAA Cc1cnc(C)c(N2CCC3(CC2)CC(=O)N(CC(C)C)C3)n1 91691399 WPNGWIGQSVWSAW-UHFFFAOYSA-N 316.449 2.568 0 50 DFAA COc1ccc2c(c1)OC[C@H](C(=O)NCCc1ccc(C)o1)C2 95508487 YZBOLOSONPGWPG-CQSZACIVSA-N 315.369 2.507 0 50 DFAA CC[C@@H](NCc1cc(=O)c2cc(C)ccc2[nH]1)c1ccnn1C 91326181 TYIPPHXXUAZIIQ-OAHLLOKOSA-N 310.401 2.811 0 50 DFAA COCCc1noc(CN2CCC(c3ccccc3)CC2)n1 96161684 PDGAMFPJCMGUDW-UHFFFAOYSA-N 301.390 2.638 0 50 DFAA Cc1cc([C@@H]2CCCCN2CCC(=O)Nc2nccs2)no1 244831529 UFMHJTHWHAPFEQ-ZDUSSCGKSA-N 320.418 2.995 0 50 DFAA CN(Cc1n[nH]c2c1CCC2)C[C@@H]1CC(c2ccccc2)=NO1 244816770 SOAWCNJKVLZVAF-AWEZNQCLSA-N 310.401 2.523 0 50 DFAA CC(C)(C)c1noc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)n1 299744378 SELQUAFSLJWFTF-UTUOFQBUSA-N 307.394 2.585 0 50 DFAA O=C(C[C@H]1CCCOC1)NCC1(COc2ccccc2)CC1 534658119 WNFQCBJVCQGIQC-OAHLLOKOSA-N 303.402 2.779 0 50 DFAA COCO[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1CCC1CC1 725240100 YJKHSPATEPHLOF-JKSUJKDBSA-N 305.374 2.590 0 50 DFAA O=C(NCC1(N2CCCC2)CCCCC1)[C@H](O)c1ccccc1 584901643 ZKFKNLKFSYWVBV-QGZVFWFLSA-N 316.445 2.635 0 50 DFAA CCNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)C1 823123362 LSJXGXRVKUKEDV-LLVKDONJSA-N 309.797 2.638 0 50 DFAA C[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccc(F)cc1F 584901666 ABPNFZZQMRSVOZ-LBPRGKRZSA-N 323.387 2.906 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)c2cccc3c2CCC3=O)C1 584900938 VJTPHUOMETWNGO-CYBMUJFWSA-N 301.386 2.704 0 50 DFAA C[C@@H]1CCc2c(sc3nc(Cc4cnsn4)nc(O)c23)C1 585137399 XKAKGPITPVYYSR-SSDOTTSWSA-N 318.427 2.964 0 50 DFAA Cc1nn[nH]c1C(=O)NCCCSCc1ccc(Cl)cc1 670462306 RJKTZHIPHNCDQP-UHFFFAOYSA-N 324.837 2.820 0 50 DFAA CCc1nc(C(C)C)ccc1C(=O)NC[C@H](O)c1cccnc1 1418747880 OMZZUSSYQDYGBM-KRWDZBQOSA-N 313.401 2.626 0 50 DFAA C[C@@H](NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc2ncsc2c1 1369533475 FIMNPQDOENPDNS-QEGRKFQGSA-N 317.414 2.976 0 50 DFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1Cl 908787 LLXKEQVJYNFAJE-UHFFFAOYSA-N 317.776 2.824 0 50 DFAA Oc1cccc(N2CCN(c3ccc(C(F)(F)F)nn3)CC2)c1 270949474 OEFKVXHGGCINLJ-UHFFFAOYSA-N 324.306 2.528 0 50 DFAA Cc1noc([C@@H]2CC[C@H](CNc3nc4ccccc4o3)O2)n1 275239131 BHVATNFEOURWSY-MFKMUULPSA-N 300.318 2.851 0 50 DFAA C[Si](C)(C)c1cc2ncc(I)cc2o1 169794228 ZEQJOLQKHFUOLN-UHFFFAOYSA-N 317.202 2.978 0 50 DFAA in-vitro O=C(c1cccc(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 186892648 CDTKZLKVFXREJA-MRXNPFEDSA-N 319.307 2.884 0 50 DFAA CO[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)C(C)(C)C 188163854 CZYFHRGQIWEJQB-LBPRGKRZSA-N 300.443 2.647 0 50 DFAA CCC(CC)(C(=O)NCCc1ccccn1)C(=O)OC(C)(C)C 585090060 GUECCWRDBSUSAK-UHFFFAOYSA-N 320.433 2.888 0 50 DFAA CNC(=O)C[C@H](C)Nc1cc(C(F)(F)F)c(OC)cc1C 585139530 RVIBWFGILLQBOM-VIFPVBQESA-N 304.312 2.959 0 50 DFAA COCC1(C(=O)Nc2ccc3nscc3c2)CCOCC1 1615613236 GVKJVHWPXGWOLU-UHFFFAOYSA-N 306.387 2.678 0 50 DFAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)c(O)c1 455694 HPCHBDPPKKTGFV-FNORWQNLSA-N 302.355 2.820 0 50 DFAA CN(C)c1nccnc1N(C)Cc1cc(-c2cccs2)n[nH]1 1704339170 CVSMHEJGWSAJRZ-UHFFFAOYSA-N 314.418 2.631 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1ccc(-c2cccnc2)cc1 1772816120 IYIACSRNLUCGLU-BEFAXECRSA-N 321.424 2.944 0 50 DFAA O=C(CSc1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 12241843 WGRURKIGVDHIJS-CYBMUJFWSA-N 301.415 2.908 0 50 DFAA O[C@H]1CNCC[C@@H]1n1ccnc1-c1cc(Cl)cc(Cl)c1 1857672403 BJAJIQFTPIIYSW-STQMWFEESA-N 312.200 2.752 0 50 DFAA O=C(O)Cn1nc(-c2ccccn2)nc1[C@H]1CC[C@@H]2CCC[C@@H]21 1857700125 OARBPRYMSVYRLN-AVGNSLFASA-N 312.373 2.718 0 50 DFAA CC(=O)Nc1cccc(CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 245339020 PZDVNEQDBPUAAA-ZACQAIPSSA-N 302.418 2.890 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CCSCC1 220962001 HQGABNDIDLOSIG-IHRRRGAJSA-N 311.447 2.764 0 50 DFAA CC(C)[C@@H](O)CN1CCC(Cc2nc(C3CCC3)no2)CC1 625998451 KBPLDEHQAHZGCI-HNNXBMFYSA-N 307.438 2.609 0 50 DFAA COc1cc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)ccc1C(=O)O 630184557 OWUVPEIHGQJKEJ-BHYGNILZSA-N 323.348 2.918 0 50 DFAA CCCn1nccc1NC(=O)[C@H]1C[C@@]12CCOc1ccccc12 253418959 FXVNUWGDYQOFLB-RDTXWAMCSA-N 311.385 2.972 0 50 DFAA COCc1ccccc1C(=O)NC[C@H]1Cc2ccccc2N(C)C1 370712536 WFXQEJYXCKPKMB-OAHLLOKOSA-N 324.424 2.872 0 50 DFAA COc1ccccc1N1CCC(NCc2ccc(O)nc2)CC1 585118704 ZACXEBJYEFVULZ-UHFFFAOYSA-N 313.401 2.554 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2COc3ccccc32)c2ccccc21 392505965 MGAKCYTXIHORJI-LSDHHAIUSA-N 323.348 2.768 0 50 DFAA COc1cnc(NC(=O)NCC[C@H]2CCC(C)(C)CO2)s1 931283374 ANBWZCZQQIBVDN-SNVBAGLBSA-N 313.423 2.869 0 50 DFAA c1cc(-c2nc(CC3CCNCC3)no2)cc([C@@H]2CCOC2)c1 843133570 DWFGERPNPUZURM-MRXNPFEDSA-N 313.401 2.783 0 50 DFAA Cc1cc([C@H]2CCCN2Cc2ccccc2CC(=O)O)on1 846241811 NDFVVOLPRJGLNC-OAHLLOKOSA-N 300.358 2.947 0 50 DFAA O=S(=O)(NCCc1c[nH]c2ccccc12)c1cccs1 9873839 MNGATABQFDSMCW-UHFFFAOYSA-N 306.412 2.750 0 50 DFAA O=C(O)CC[C@@H]1CC[C@H](C(=O)N2CCC[C@]3(CC=CCC3)C2)O1 872707853 BJVUFHCXUWLLKT-HDMKZQKVSA-N 321.417 2.748 0 50 DFAA CCc1cccnc1C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1 1875274406 HZDUTQGNHXQLJC-MRXNPFEDSA-N 313.376 2.570 0 50 DFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC[C@@H]2C[C@H]21 1875272195 XLJAOGLBIJMKJO-HUUCEWRRSA-N 323.396 2.705 0 50 DFAA CC[C@@H](CC(=O)O)NC(=O)CCSc1ccc(OC)cc1 1875286438 SIWDJJNCCFVENM-NSHDSACASA-N 311.403 2.547 0 50 DFAA O=C1CC[C@@H](NCc2cnccc2Cl)[C@H](c2ccccc2)N1 1875327404 UUXIIZOHTHTQSB-WBVHZDCISA-N 315.804 2.845 0 50 DFAA COCc1cccc(COc2ccc3[nH]nc(C(=O)O)c3c2)c1 1875301637 NTCGDLUDIPVTMJ-UHFFFAOYSA-N 312.325 2.987 0 50 DFAA O=C(Cc1cc(C2CC2)no1)N1C[C@H]2C[C@]2(C(F)(F)F)C1 1776007338 XUHZDJKCRPAPFW-RNCFNFMXSA-N 300.280 2.505 0 50 DFAA Cc1cc(C)nc(SCc2nnnn2-c2ccc(F)cc2)n1 9305033 RMNCIBGKXSFABJ-UHFFFAOYSA-N 316.365 2.501 0 50 DFAA O=S1(=O)CCCc2ccc(-c3cc(F)c(F)cc3CO)cc21 2325773405 UBTFGVROOHNEHP-UHFFFAOYSA-N 324.348 2.844 0 50 DFAA Cc1cc(S(=O)(=O)N2CCC[C@]3(CC=CCC3)C2)ccn1 2325782710 YEXOSHQMQJEFHS-MRXNPFEDSA-N 306.431 2.901 0 50 DFAA CCOc1ccc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)c(OC)n1 2325827630 LRCLKXRFRJHQQV-LLVKDONJSA-N 323.393 2.520 0 50 DFAA N[C@@H]1CN(C(=O)Cc2ccc3cnccc3c2)Cc2ccccc21 2325857559 GMICHHPYLSDHKU-LJQANCHMSA-N 317.392 2.820 0 50 DFAA CC(=O)N1C[C@H]2[C@@H](NCc3nccc4ccccc34)CCC[C@H]2C1 894786208 BZYCZWZNPPSLRW-UHOSZYNNSA-N 323.440 2.971 0 50 DFAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1 185737 JOBMXNSRPOTXGB-UHFFFAOYSA-N 308.337 2.702 0 50 DFAA Cc1ccc(S(=O)(=O)NNc2cccc3cccnc23)cc1 235944 SMBWVQGCAPPYSZ-UHFFFAOYSA-N 313.382 2.849 0 50 DFAA Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 312511 FHBJDEZIDPEKEJ-HNNXBMFYSA-N 323.396 2.998 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(Cl)s1 389922 NHBXZIVPDKHRKG-AWEZNQCLSA-N 307.758 2.814 0 50 DFAA O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1 482222 PTQMUAPZOJNCKV-HNNXBMFYSA-N 324.380 2.848 0 50 DFAA Cc1cccc(C)c1NC(=O)CN1C(=O)COc2ccccc21 1361601 BMKHEKVMOAIMRH-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA Cc1ncc2c(n1)[C@@]1(CCCN(c3ncc(Cl)cn3)C1)CC2 2356146922 AHEALFYCHDOOTR-INIZCTEOSA-N 315.808 2.713 0 50 DFAA CC(C)(CNCc1ccccc1)NS(=O)(=O)c1ccccc1 3077830 ABKDYVUUGNNAJH-UHFFFAOYSA-N 318.442 2.533 0 50 DFAA Cc1ccccc1COc1cccc([C@@]2(C)NC(=O)NC2=O)c1 3147763 LTYKUCXAPSRSTE-GOSISDBHSA-N 310.353 2.629 0 50 DFAA NC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCC2 4274230 BRIIAHOERJOMQL-UHFFFAOYSA-N 314.410 2.907 0 50 DFAA Cc1cccc(Cn2nc(NC(=O)c3cnccn3)cc2C)c1 6728866 AIAFNWVXTWIXRI-UHFFFAOYSA-N 307.357 2.591 0 50 DFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 6741444 NSNYBVBYTHELBZ-UHFFFAOYSA-N 318.398 2.626 0 50 DFAA COc1ccc([C@@H](C)NC(=O)COc2ccccc2)cc1OC 6742275 SZWXOOBHNRZUDC-CYBMUJFWSA-N 315.369 2.960 0 50 DFAA CCOc1cccc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1 6742392 VZZOGCLXLSFNIO-UHFFFAOYSA-N 309.329 2.518 0 50 DFAA O=C(NCCn1ccnc1)c1cccc(-c2ccc(O)cc2)c1 55307426 LBINNPAQRYPPDW-UHFFFAOYSA-N 307.353 2.686 0 50 DFAA Cc1cc(CNC(=O)c2ccc([C@H](C)N3CCCCC3)o2)[nH]n1 55119202 KLIUIGLCULWGSG-ZDUSSCGKSA-N 316.405 2.788 0 50 DFAA COC(=O)[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(O)c1 343132325 JTMQAWJMHNNANO-MRXNPFEDSA-N 324.336 2.518 0 50 DFAA COc1ccc(-c2ccncc2)cc1CN1C[C@@H](F)C[C@H]1CO 344859180 AQDZKKUVSHCGJI-IRXDYDNUSA-N 316.376 2.662 0 50 DFAA CCCCOc1cccc(OCCCN2CCN(C)CC2)c1 20652680 UHFCADJHTTWHCV-UHFFFAOYSA-N 306.450 2.882 0 50 DFAA CCCc1nc(CN(CC)C(=O)c2ccncc2Cl)no1 63855490 RMIABUWVLQOBGS-UHFFFAOYSA-N 308.769 2.733 0 50 DFAA CN(C)CCCn1ccnc1-c1cc(F)ccc1-n1cccn1 67605146 MDAYSSPQHMXCGK-UHFFFAOYSA-N 313.380 2.827 0 50 DFAA Cc1ncoc1C(=O)N[C@H]1CCCN(CC2CCCCC2)C1 12387196 GFHVJCXBALWUEF-HNNXBMFYSA-N 305.422 2.758 0 50 DFAA CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC(N)=O)cc12 308065 RAUITGVIMZYCIN-UHFFFAOYSA-N 319.357 2.771 0 50 DFAA biogenic CCn1ncc2cc(C(=O)N3CCC(SC)CC3)c(C)nc21 601689503 JGKCESSFAXKTSL-UHFFFAOYSA-N 318.446 2.727 0 50 DFAA Cc1sc2nc([C@H](C)N(C)Cc3cc[nH]n3)nc(O)c2c1C 329265425 CHZLZIZJWDSDEN-VIFPVBQESA-N 317.418 2.930 0 50 DFAA CC(C)(NC(=O)CC(F)(F)F)C(=O)NCC1CCCCC1 124304060 PLWYQYXFOAGQIO-UHFFFAOYSA-N 308.344 2.530 0 50 DFAA C[C@H]1COc2ccccc2CN1C(=O)Cc1c[nH]c2ncccc12 363688221 LLJHDPSSSJNEBL-ZDUSSCGKSA-N 321.380 2.915 0 50 DFAA Cc1n[nH]cc1C1CCN(CC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 375355341 OQAAOLROGVIXCH-OKILXGFUSA-N 318.465 2.687 0 50 DFAA C1=CCC(Nc2ncnc3c2CCN(Cc2ccco2)CC3)C1 72462963 XPGGLZDRZRALJF-UHFFFAOYSA-N 310.401 2.801 0 50 DFAA CC(C)C[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 236648680 IZXAQILCAJXQFD-QMMMGPOBSA-N 320.277 2.703 0 50 DFAA CCO[C@@H]1CCCC[C@H]1NCC(=O)N1c2ccccc2C[C@H]1C 452033224 PJPJNNKQKYIQDG-QGPMSJSTSA-N 316.445 2.902 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc2ccccc2o1 284776435 XVSTYTYBFVMMEF-BRWVUGGUSA-N 301.386 2.795 0 50 DFAA CC1(C(=O)NCc2nc3cccc(Br)c3[nH]2)CC1 457028088 GLQBOIVDEVVZNW-UHFFFAOYSA-N 308.179 2.742 0 50 DFAA Cc1noc(C)c1CCCNC(=O)N(C)CCc1ccccn1 84905884 RXLBATOREJYWAJ-UHFFFAOYSA-N 316.405 2.503 0 50 DFAA C[C@@H](NC(=O)N[C@H](CCCO)c1ccccc1)C(F)(F)F 287268479 AFLSOCDHCYPIJZ-ZYHUDNBSSA-N 304.312 2.750 0 50 DFAA Cc1nc([C@@H]2CCOC2)cc(N(C)CCC2CCOCC2)n1 426613040 ZLPZIVKKHLJPBK-OAHLLOKOSA-N 305.422 2.542 0 50 DFAA CCCCS(=O)(=O)NCc1ccc(CN2CCCC2)cc1 193551215 CCHWWXGQEWEXLR-UHFFFAOYSA-N 310.463 2.502 0 50 DFAA CSCC[C@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 237308279 RTPUWOJNHITMQX-FMKPAKJESA-N 306.475 2.780 0 50 DFAA Cc1cc(NC(=O)NCCCc2c(C)n[nH]c2C)n(C(C)C)n1 96139941 ODIKLYZLQZQWJB-UHFFFAOYSA-N 318.425 2.867 0 50 DFAA Cc1occc1C(=O)N1C[C@H](c2ccccc2)C[C@@H](C(=O)O)C1 180349563 QAHQDJWSDISYOT-HUUCEWRRSA-N 313.353 2.919 0 50 DFAA C[C@@H]1CCCCN1C1CN(Cc2cnc(N3CCCC3)s2)C1 240517178 NWISWTKTDNOPCG-CQSZACIVSA-N 320.506 2.802 0 50 DFAA CN(Cc1nc2ncccn2n1)Cc1ccccc1C(F)(F)F 244764035 PADCPSFKJWKTSY-UHFFFAOYSA-N 321.306 2.775 0 50 DFAA CCN(C)C1(CNC(=O)c2ccc(F)c(OC)c2)CCCC1 534671190 WWSNKPWECWGFQD-UHFFFAOYSA-N 308.397 2.829 0 50 DFAA NCCCOc1ccc(F)cc1C(=O)NCc1cccs1 299772781 BYMAANPSLKHCPJ-UHFFFAOYSA-N 308.378 2.545 0 50 DFAA CCOC(=O)N1CCC(N2CCC[C@@H](CSC)C2)CC1 670437751 MEIOPACHAILIAH-CYBMUJFWSA-N 300.468 2.682 0 50 DFAA CCOC[C@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)C1 408522182 FDOHTXHUZGGEJV-ZDUSSCGKSA-N 300.358 2.840 0 50 DFAA Cc1cscc1NC(=O)N1CCC(O)(C(F)(F)F)CC1 271823769 OCGPJPSXUYIHOK-UHFFFAOYSA-N 308.325 2.978 0 50 DFAA CCc1nnc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)o1 276128630 YGAGYZUKDLNYMS-CYBMUJFWSA-N 301.394 2.571 0 50 DFAA Cc1c(C(=O)N(C)CC(=O)NC(C)C)oc2ccc(Cl)cc12 170078146 PSHKHLSHHURLKR-UHFFFAOYSA-N 322.792 2.991 0 50 DFAA O=C1NCCCN1C1CCN(CCCCc2ccccc2)CC1 187310298 XJSFJEDOTJBDIB-UHFFFAOYSA-N 315.461 2.889 0 50 DFAA CC(=O)N[C@@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 191231612 PKWHIJVDBMNSHT-QGZVFWFLSA-N 302.418 2.576 0 50 DFAA Cn1nc(Br)nc1CNC(C)(C)c1ccccc1 585137226 MXXMLOUKYORNRD-UHFFFAOYSA-N 309.211 2.603 0 50 DFAA C[C@H](CN(C(=O)[C@H]1C[C@@H]1c1ccccc1F)C1CC1)C(=O)O 195551995 JYJWGZUPRYRRQL-HONMWMINSA-N 305.349 2.641 0 50 DFAA CC1CCC(C)(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 1604693903 PVYREMPRDOKENM-JPVBRBBMSA-N 323.433 2.731 0 50 DFAA Cc1cccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1C 1704338396 SVLIUYLMLPTEBT-RTBURBONSA-N 302.462 2.582 0 50 DFAA Cc1nc(N[C@H]2COC[C@H]2Cc2ccncc2)nc2c1CCCC2 1704302273 GZXQMXLVEGNKSK-QAPCUYQASA-N 324.428 2.728 0 50 DFAA C[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@]1(O)C1CCC1 216636327 AIVAPOGPGICHEG-APPDUMDISA-N 316.426 2.919 0 50 DFAA COc1nc(NCCc2nc3ccccc3s2)ncc1F 1772700703 GNNBHDBGHHQCFM-UHFFFAOYSA-N 304.350 2.889 0 50 DFAA COc1ccc(-c2noc(CN(C)C[C@H]3CCCCO3)n2)cc1 11879202 LTDVHNUNSCONMY-OAHLLOKOSA-N 317.389 2.746 0 50 DFAA O=C1C[C@@H](NC2Cc3ccccc3C2)CN1Cc1cccc(F)c1 12458040 DOOZGMSVIGFOIH-LJQANCHMSA-N 324.399 2.684 0 50 DFAA COc1cc(OC)c(OC)cc1C[C@H]1C(=O)Nc2ccccc21 15017262 YEIMZWPASKCWHW-CYBMUJFWSA-N 313.353 2.991 0 50 DFAA biogenic CCc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1OC 16577559 KWCHXIDUHRRUNS-UHFFFAOYSA-N 308.403 2.562 0 50 DFAA Cc1ccc2ncnc(N(C)CC[C@@H](O)c3ccccc3)c2n1 1857695231 AJLBVIYKYIJMMH-MRXNPFEDSA-N 308.385 2.893 0 50 DFAA Oc1cccc([C@H](O)Cn2ccnc2-c2cccc3ccnn23)c1 1857719058 DCOPZDSLTCAHQA-QGZVFWFLSA-N 320.352 2.637 0 50 DFAA Cc1nc(-c2nccn2C[C@H]2CC[C@H](CO)CC2)n(C)c1C 1875242803 CJXBRZFFKGCLDJ-SHTZXODSSA-N 302.422 2.699 0 50 DFAA C[C@@H](Sc1nnc(-c2ccccn2)n1C)C(=O)OC(C)(C)C 408513416 XIVBFGXIGMLLIQ-SNVBAGLBSA-N 320.418 2.699 0 50 DFAA Cn1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1-c1ccccc1 237714887 IFLBILGGYLAGRO-GOSISDBHSA-N 312.369 2.629 0 50 DFAA NC[C@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 131170871 DTIIYPCHRQWZRX-CYBMUJFWSA-N 301.415 2.764 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 136515759 ABTHQJJNQPRCMO-MBNYWOFBSA-N 309.312 2.534 0 50 DFAA O=C(c1ccc(OC(F)F)nc1)N1CC[C@H](c2cccnc2)C1 823470710 SBDJCIOYGKBJPD-ZDUSSCGKSA-N 319.311 2.708 0 50 DFAA Cc1nc(C2CCN(C(=O)[C@H]3CCCN3C(C)C)CC2)[nH]c1C 829681869 MVUKNALKHVSJNG-MRXNPFEDSA-N 318.465 2.605 0 50 DFAA CCc1cc(NCc2nnc3cc(C(F)(F)F)ccn23)ncn1 952963084 CVZGETPTKLRGRM-UHFFFAOYSA-N 322.294 2.713 0 50 DFAA CC(C)[C@@](F)(CNC(=O)[C@H]1CCCC(F)(F)CC1)C(=O)O 1875291889 PBFNRYCBBPWQOO-HZMBPMFUSA-N 309.328 2.767 0 50 DFAA COCCn1ncc2c1[C@@H](N=c1c(F)c[nH]cc1Cl)CCC2 1875287211 YRVSOSBYFCKTNY-ZDUSSCGKSA-N 324.787 2.628 0 50 DFAA O=C(O)c1ccc(C(=O)N(CCC(F)(F)F)C2CCC2)cn1 888092641 LQXKSJYAJKXTIU-UHFFFAOYSA-N 316.279 2.727 0 50 DFAA Clc1cnc(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)nc1 888079019 XDVGOCNZIGLYRT-UONOGXRCSA-N 319.796 2.679 0 50 DFAA O=C(COc1ccccc1)Nc1ccc(Cn2ccnc2)cc1 4629787 INTYZWCPUYORAR-UHFFFAOYSA-N 307.353 2.949 0 50 DFAA Cc1cccc2nc(NC(=O)c3cc(C(F)F)nn3C)[nH]c12 2100482277 NIFNLKJYQDRDIJ-UHFFFAOYSA-N 305.288 2.795 0 50 DFAA Cc1ncc2ccccc2c1C(=O)Nc1cnn(CCN(C)C)c1 2325776172 YZUUVPFEMLVFQY-UHFFFAOYSA-N 323.400 2.554 0 50 DFAA O[C@@]1(CNCc2cnc3sccn23)CCCc2ccccc21 2325777656 SLUHFDNBMGVTRJ-QGZVFWFLSA-N 313.426 2.710 0 50 DFAA C[C@]1(c2ccc(F)cc2)C[C@@H]1NC(=O)c1cccn2nccc12 2325854542 JEAGZAKMGRZZSZ-FUHWJXTLSA-N 309.344 2.933 0 50 DFAA CNCc1ccccc1CNC(=O)c1cccc2nc(C)cnc12 2325873635 NRMCKRKDZUONRS-UHFFFAOYSA-N 320.396 2.588 0 50 DFAA CCC1(CC)[C@@H](NC(=O)c2cccn3nccc23)C[C@H]1OC 1433445814 DOAOPQXXVWVGFV-LSDHHAIUSA-N 301.390 2.658 0 50 DFAA CCN(C(=O)c1cnc(-c2ccccn2)nc1)[C@H](C)C(F)(F)F 935759179 HGXJDHXZLFWQQI-SNVBAGLBSA-N 324.306 2.952 0 50 DFAA COC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 44169 QHSGHJVWAPOTSV-UHFFFAOYSA-N 323.304 2.832 0 50 DFAA CCC(CC)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 461728 TZEKCDYYOXNMGC-UHFFFAOYSA-N 307.346 2.635 0 50 DFAA C[C@@H](NC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1 2817828 OPBNUTWSUYEWJK-CQSZACIVSA-N 300.402 2.871 0 50 DFAA CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H](C(=O)OCCN(C)C)[C@@H]1C(=O)O 4713528 DBWBOVQNOJBGMP-ZJIFWQFVSA-N 323.433 2.587 0 50 DFAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1 4834193 JYNFGLUIOWIDQH-CQSZACIVSA-N 307.390 2.621 0 50 DFAA CNC(=O)c1ccc(C)c(NC(=O)c2cnc3cnccc3c2)c1 347882536 JUOWKPKCLIFLKF-UHFFFAOYSA-N 320.352 2.550 0 50 DFAA Cc1cc2n(n1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 9331216 BAIVUPALJFLOQS-LLVKDONJSA-N 322.727 2.506 0 50 DFAA Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)[nH]1 9692011 WZKDJFWTLKQRCF-UHFFFAOYSA-N 301.371 2.693 0 50 DFAA CN(C)CCNc1ccc(-c2ccc(Br)cc2)nn1 20715791 NIMCKUTXGQUOBV-UHFFFAOYSA-N 321.222 2.880 0 50 DFAA CCOc1cc(CN2CC[C@@H](c3nc(C)no3)C2)ccc1OC 344862631 HWMRHCCCSRFKEN-CQSZACIVSA-N 317.389 2.775 0 50 DFAA CCc1noc(CN(CC)[C@H](C)C(=O)Nc2ccc(C)cc2)n1 65527281 VSVSCTZVCIGEGT-CYBMUJFWSA-N 316.405 2.790 0 50 DFAA COc1cc2c(cc1CN(C)Cc1ncccc1C)OCO2 65463987 ZDQYEZDSNGTMDK-UHFFFAOYSA-N 300.358 2.759 0 50 DFAA CSCC[C@H]1CC(=O)Nc2c1cnn2Cc1cccnc1 65397710 UZTSAIHYJWXZBP-LBPRGKRZSA-N 302.403 2.505 0 50 DFAA CN(C[C@@H]1CCCOC1)C(=O)c1cncn1-c1ccc(F)cc1 171624931 YQGRIFWCPRLSPX-ZDUSSCGKSA-N 317.364 2.510 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1(C)C 229436138 ANXVCLJQGLJTOY-KFWWJZLASA-N 302.422 2.680 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 252511800 KQGBHPIZZMUHLM-GVDBMIGSSA-N 309.365 2.775 0 50 DFAA C[C@@H]1CCCCN1S(=O)(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252535719 GRAPGYVANMFTHG-HGTKMLMNSA-N 314.495 2.910 0 50 DFAA CC[C@H](NC(=O)c1cc2c(cc1O)OCO2)c1c(C)noc1C 129713395 LCRZBLVYNYZKEW-NSHDSACASA-N 318.329 2.607 0 50 DFAA CC1(C)OC(=O)N(CCOC23CC4CC(CC(C4)C2)C3)[C@]1(C)O 4126611 NDVBHVPMAJXRSH-RBXDXQPVSA-N 323.433 2.911 0 50 DFAA COc1cc([C@@H](N)CC(=O)O)ccc1OCc1ccc(F)cc1 5702241 IIWGQFIPZVBEPW-AWEZNQCLSA-N 319.332 2.888 0 50 DFAA c1cncc(COC2CCN(Cc3cccc4nonc34)CC2)c1 215300243 MLODQXLQCKEHEW-UHFFFAOYSA-N 324.384 2.799 0 50 DFAA COCc1noc([C@@H](C)N2CC=C(c3cnccc3C)CC2)n1 364531431 NJNFTZOQOFALOR-CYBMUJFWSA-N 314.389 2.770 0 50 DFAA Cc1ccccc1NC(=O)N1CCN(Cc2cccnc2)CC1 13324349 MBZXDBTYARORNR-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA COc1ccc2sc(C(=O)N3CCC[C@H]3CN)c(C)c2c1 237325531 LJCKUSAOFHUORA-NSHDSACASA-N 304.415 2.782 0 50 DFAA COc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 128531303 IWWQHRVKSRABRZ-GXTWGEPZSA-N 305.374 2.512 0 50 DFAA CCNC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 606446235 RUUFULYGFRSWCL-OWSLCNJRSA-N 313.445 2.558 0 50 DFAA O=C(Cc1ccco1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 378333739 OGOHDAZGDDOFEW-KRWDZBQOSA-N 319.788 2.682 0 50 DFAA CSCC(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1 77425086 KTRWLDXRFNIHSY-OAHLLOKOSA-N 305.443 2.790 0 50 DFAA CC(C)Nc1nc(C(=O)Nc2nnc(C3CC3)s2)cs1 40287347 TUYQUEMDJFDXFK-UHFFFAOYSA-N 309.420 2.945 0 50 DFAA COCCCNc1ccc(C(=O)NCc2cccc(C)c2)cn1 243355939 LXNWDWGFSJKWEB-UHFFFAOYSA-N 313.401 2.768 0 50 DFAA Cc1occc1-c1cc(NC(=O)N(C)C2CCN(C)CC2)no1 1365199645 MHDVECXBJPHURC-UHFFFAOYSA-N 318.377 2.801 0 50 DFAA Nc1nnc([C@H](NC(=O)CC2CCCC2)c2ccccc2)s1 223144382 YPFWLVPMVKPJTM-CQSZACIVSA-N 316.430 2.906 0 50 DFAA Cc1ccn2c(F)c(C(=O)NCc3cnc4c(c3)CCC4)nc2c1 426485951 AYLYKRQLIAPMTR-UHFFFAOYSA-N 324.359 2.596 0 50 DFAA O=C(NCCCOC1CCCCC1)[C@@H]1COc2ccccc2O1 198382160 VYZLYJOWFVUWJC-KRWDZBQOSA-N 319.401 2.682 0 50 DFAA CN1C(C)(C)CC(Nc2cc(C3CC(N)C3)ncn2)CC1(C)C 220264381 CRGOLOHDEFZGDU-UHFFFAOYSA-N 317.481 2.745 0 50 DFAA Cn1cnc(-c2ccc(C(=O)N3CCC[C@@H](C4CC4)C3)cc2)n1 290620864 KYGQLVKZMFOTSL-MRXNPFEDSA-N 310.401 2.744 0 50 DFAA CC[C@H]1CN(C(=O)c2c(F)cccc2OC)CCN1C(C)C 91289431 FTVLBKWATMVILN-ZDUSSCGKSA-N 308.397 2.779 0 50 DFAA O=C(NCc1ccccc1)N1CCN(Cc2ccccc2)CC1 24948799 OYMRXBJVPOBDLB-UHFFFAOYSA-N 309.413 2.714 0 50 DFAA Cc1ncnc(NCCc2csc(-c3ncccn3)n2)c1C 95352332 UAVMNKOTUFAWNX-UHFFFAOYSA-N 312.402 2.662 0 50 DFAA O=C(NCCNc1cccnc1)c1ccc([C@H]2CCCO2)s1 91452430 IUSQCDTYJCEMQD-CYBMUJFWSA-N 317.414 2.837 0 50 DFAA Cn1ccc(C(=O)N(Cc2ccccc2)c2ccncc2)cc1=O 179675347 VDAWMZDAMLEUDC-UHFFFAOYSA-N 319.364 2.627 0 50 DFAA OCCc1cn(Cc2ccc3c(c2)CCC3)nc1C(F)(F)F 180454987 UJRVQFHSPUQKLM-UHFFFAOYSA-N 310.319 2.974 0 50 DFAA Cc1ccc(Cl)c(NC(=O)N[C@@H](C(=O)N(C)C)C(C)C)c1 96148076 NWXIQDFPGWVNLD-CYBMUJFWSA-N 311.813 2.883 0 50 DFAA O=C(NCCc1ccco1)c1cnc(Nc2ccccc2)nc1 97370494 BDAWIZWNZHTXLH-UHFFFAOYSA-N 308.341 2.786 0 50 DFAA CCCCc1noc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)n1 299744891 VGDTYEOROOAGHA-UPJWGTAASA-N 307.394 2.630 0 50 DFAA C[C@H](Nc1nc(-c2ccc(F)cc2)no1)c1nnc2n1CCC2 623832037 HGGUFAVHOKJVIP-VIFPVBQESA-N 314.324 2.587 0 50 DFAA CN(CCC(=O)NC1CCCCCC1)C[C@@H](O)c1ccccc1 252490401 KSRDJEWFJVCDOY-GOSISDBHSA-N 318.461 2.881 0 50 DFAA O[C@H](CN1CCC(c2c[nH]c3ccccc23)CC1)Cn1cccn1 298727829 NMPQJXSKXFLPCU-MRXNPFEDSA-N 324.428 2.605 0 50 DFAA O=C(NC1(c2cc(F)cc(F)c2)CC1)N1CCCC[C@H]1CO 584895606 LPWPYOAZLJBIOR-AWEZNQCLSA-N 310.344 2.510 0 50 DFAA Cc1nc(-c2ccc(C(=O)N3CC=C[C@H]3C(C)C)cc2)n(C)n1 584896344 ZUEAZIPKQPIBKN-INIZCTEOSA-N 310.401 2.827 0 50 DFAA COc1ccccc1Cc1nc([C@@H](C)CN2CCCC2)n[nH]1 824821898 UYSUCCQANZMZNE-ZDUSSCGKSA-N 300.406 2.603 0 50 DFAA Cc1nccn1C[C@H]1CCCN(C(=O)C(C)(C)n2cccc2)C1 584903456 FYVZZMOZTZAVJH-MRXNPFEDSA-N 314.433 2.667 0 50 DFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)C[C@H]1CCCOC1 584898807 URLPJHKPXANLFD-LLVKDONJSA-N 321.808 2.991 0 50 DFAA Cn1ncc2c1CCC[C@@H]2NC(=O)N1CCc2ccsc2C1 270479785 OZFPIXSMBSPKMN-ZDUSSCGKSA-N 316.430 2.627 0 50 DFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2cc[nH]c2)CC1 275515570 BFDRYEIKYMFKJS-QGZVFWFLSA-N 312.417 2.536 0 50 DFAA Cc1cscc1NC(=O)N[C@H]1CCO[C@H](c2cncn2C)C1 275667010 CCLYRBSLTCWOKZ-FZMZJTMJSA-N 320.418 2.832 0 50 DFAA CCN(C[C@H]1CCCO1)C(=O)c1cncnc1-c1ccccc1 275838923 UMZAUERPBAFTOO-OAHLLOKOSA-N 311.385 2.785 0 50 DFAA Cc1cnc(NC(=O)C(=O)N2CCC[C@@H]2c2ccsc2)s1 170602770 BSHNCLLEOZBASX-LLVKDONJSA-N 321.427 2.815 0 50 DFAA CC(C)N1CC[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C1=O 170626973 ONOGIDAZUHWNRL-LZUXJJCOSA-N 318.461 2.718 0 50 DFAA C[C@@H]1CCC[C@@H](NC(=O)Nc2cnn(-c3ncccn3)c2)CC1 190015194 GGHWWPBMOJIFIK-CHWSQXEVSA-N 314.393 2.753 0 50 DFAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CC[C@@H]2CCC[C@@H]21 671802680 FMVXLWJVGIAGSQ-HOTGVXAUSA-N 324.428 2.837 0 50 DFAA CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 585125639 ZXCSEOUGNDCXTQ-JTQLQIEISA-N 324.343 2.797 0 50 DFAA Cc1cccc(Cc2nnc(NC(=O)C3CCOCC3)s2)c1 1529110830 QNZZVCGRTUIGFL-UHFFFAOYSA-N 317.414 2.802 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N[C@H]2CCSC2)C1 225475497 WKEAIDRPSZANEU-XQQFMLRXSA-N 300.468 2.917 0 50 DFAA COc1ccc(CCCC(=O)N2CCC[C@H](C3(O)CC3)C2)cc1 1772804777 UKVBYRAWMIORCK-INIZCTEOSA-N 317.429 2.781 0 50 DFAA COc1cc(C)c(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)cc1C 1772708505 BUYJSAJCVBKZOF-HOCLYGCPSA-N 302.418 2.507 0 50 DFAA COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 19942871 FJTNFMCISJJOHE-TXEJJXNPSA-N 311.447 2.979 0 50 DFAA CC[C@H]1c2cccn2CCN1C(=O)CCc1c(C)nn(C)c1C 151369894 BICULNGZJPLLPK-INIZCTEOSA-N 314.433 2.765 0 50 DFAA COC(=O)c1cc(Br)cc(Br)c1N 39100 NGXVMFCGYYHEGC-UHFFFAOYSA-N 308.957 2.580 0 50 DFAA in-vitro COC(=O)[C@H]1CCc2nnc(-c3ccc(Cl)cc3F)n2CC1 601043844 JFYNNAKCRBITCZ-VIFPVBQESA-N 323.755 2.863 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)c2ccsc2)C1 328612304 OIUVYLWQTONHQP-OASPWFOLSA-N 321.402 2.532 0 50 DFAA N[C@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 158227872 SRHJBPSKBYPZJX-LBPRGKRZSA-N 305.765 2.558 0 50 DFAA c1ccc(-c2cc(N3CCO[C@H]([C@H]4CCCO4)C3)ncn2)cc1 872479706 PHLGXSDRFWJPLX-SJORKVTESA-N 311.385 2.528 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 873281720 PGYACTPSHGCVHU-MEBBXXQBSA-N 318.352 2.810 0 50 DFAA CCOC(=O)c1nc(CCNC(=O)c2ccc(C)o2)sc1C 1875273701 GSLWUVNNXDSZPR-UHFFFAOYSA-N 322.386 2.502 0 50 DFAA Cc1ccc(-c2noc(-c3cnn(-c4ccccc4)c(=O)c3)n2)o1 1875337492 WHICRHPLSCIWJD-UHFFFAOYSA-N 320.308 2.851 0 50 DFAA Fc1cc(Cl)cnc1NCc1nnc([C@@H]2CCCOC2)o1 886079014 BITDMQXBTOERRM-MRVPVSSYSA-N 312.732 2.763 0 50 DFAA CC(C)(C)c1coc(CNC(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)n1 893751444 XPYJDRCRYHSEFH-DUBDDPSESA-N 303.406 2.816 0 50 DFAA Cc1cc(-c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)c(C)o1 1775987990 PFSUNDPLOLJAEM-UHFFFAOYSA-N 318.377 2.906 0 50 DFAA Cc1ccc(CCCCc2nc(Cc3ncnn3C)no2)cc1 1776005995 KVSWEVPTHGGGET-UHFFFAOYSA-N 311.389 2.663 0 50 DFAA COC12CCC(C(=O)N3[C@H]4CCC[C@H](O)[C@H]3CC4)(CC1)CC2 2325781938 FQVOUWWEYGAPMT-UKHBAXEESA-N 307.434 2.630 0 50 DFAA CCn1c(CN2C[C@H](CC(=O)O)C(C)(C)C2)nc2ccccc21 2325788321 YFDJDUYYMMVIEQ-ZDUSSCGKSA-N 315.417 2.989 0 50 DFAA Cn1ncc2ccc(-c3noc([C@@]4(C)CNC(C)(C)C4)n3)cc21 2325809259 VPTCDQCJFYITMJ-QGZVFWFLSA-N 311.389 2.653 0 50 DFAA NCc1ccc2nc(C(=O)Nc3ccc4c(c3)CCCC4)cn2c1 2325855626 IMNXUDHQURIGHH-UHFFFAOYSA-N 320.396 2.924 0 50 DFAA O=C(N[C@H]1[C@@H]2CN(CCCC3CCCC3)C[C@@H]21)c1ccoc1 958234028 MOWJKTHFKHGHQS-FVQHAEBGSA-N 302.418 2.910 0 50 DFAA COc1cc(C)c(CN2CCC[C@]23CCCNC3=O)cc1C 2356144276 PSXUSMMCRRWURT-SFHVURJKSA-N 302.418 2.557 0 50 DFAA Cc1cc(C)nc(SCC(=O)Nc2nnc(C(C)C)s2)n1 2776307 VBNVRHJARNEQRY-UHFFFAOYSA-N 323.447 2.799 0 50 DFAA CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 2839071 YRINCQQVWGPJRQ-LJQANCHMSA-N 324.380 2.689 0 50 DFAA CCc1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1 2993796 HLKSYEPRROGFSV-UHFFFAOYSA-N 300.333 2.643 0 50 DFAA Nc1cc(Cl)cnc1N1CCC(OCc2cccnc2)CC1 2356166286 QYUKRYPYNVQWNO-UHFFFAOYSA-N 318.808 2.898 0 50 DFAA O=C(c1cccnc1C(F)(F)F)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356168280 XCKGVLYKSNCUKE-URLYPYJESA-N 314.307 2.618 0 50 DFAA COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1OC 4410285 QDBBFORVWWODCU-XUWXXGDYSA-N 321.417 2.668 0 50 DFAA CC(C)(C)C(=O)NC(Sc1nc(=O)cc[nH]1)=C(Cl)Cl 6645875 DZXNVVLFMDAIKM-UHFFFAOYSA-N 322.217 2.629 0 50 DFAA CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(C(N)=O)cc1 6702396 IKBGCAKVRWVBLK-INIZCTEOSA-N 312.369 2.890 0 50 DFAA CCc1ccc(NC(=O)CSc2nnc(CC)n2C)cc1 6703144 CHOYVUNOQXFEGO-UHFFFAOYSA-N 304.419 2.671 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CN2CCCC[C@@H]2C)cc1 6731175 BMJLVGKBBGPBCP-ZDUSSCGKSA-N 304.390 2.676 0 50 DFAA COc1ccc(CC(=O)Nc2cnc(C(C)C)nc2)cc1F 280018754 UELNIEGQSUQYFQ-UHFFFAOYSA-N 303.337 2.929 0 50 DFAA Cc1c(CN(C)C(=O)COc2cccnc2)[nH]c2ccccc12 67754652 BTCOSUGHYYUHMY-UHFFFAOYSA-N 309.369 2.909 0 50 DFAA CCn1nccc1[C@@H]1CCCN1C(=O)NCCc1ccccc1 21791892 OPKRXXHTNCFMRY-INIZCTEOSA-N 312.417 2.992 0 50 DFAA COc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OCC(C)C 4119148 OYWMGWTVGDSBLX-CQSZACIVSA-N 317.385 2.772 0 50 DFAA COc1cccc(C[C@H](C)NCCC(=O)N2CCC(C)CC2)c1 65526240 CYSNHEOHUXLSFY-INIZCTEOSA-N 318.461 2.864 0 50 DFAA Cc1nc(CNC(=O)c2cc(C(C)C)on2)nc2c1CCCC2 65393365 VMMLSAMONJSTFF-UHFFFAOYSA-N 314.389 2.705 0 50 DFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3)nc2)C1 67740507 WGSOEWCWGOVFHF-AWEZNQCLSA-N 311.385 2.642 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2cccc3[nH]ccc23)cnn1C 328640974 XSBSBSJYJDAOMR-ZWKOTPCHSA-N 310.401 2.830 0 50 DFAA COC(=O)CSCC(=O)c1ccc(Br)cc1 4105207 NPMBDWZJRDBNHN-UHFFFAOYSA-N 303.177 2.538 0 50 DFAA CCO[C@H]1C[C@H](N(C)Cc2cn3cccnc3n2)C12CCC2 120900391 KJVXYHWUONKGJW-GJZGRUSLSA-N 300.406 2.509 0 50 DFAA CC(C)n1cc(C(=O)NCc2ccccc2Cn2cccn2)cn1 77426610 KTHIGAWAUWGJRK-UHFFFAOYSA-N 323.400 2.639 0 50 DFAA O=C(Nc1ccccc1OCCc1ccccc1)[C@H]1CCNC1 151260402 FZKLHQIFOLOCTE-INIZCTEOSA-N 310.397 2.856 0 50 DFAA CC(C)Nc1ncc(CN(C)Cc2cnc3ccccn23)cn1 215314114 QQEOEGWMICMVOO-UHFFFAOYSA-N 310.405 2.577 0 50 DFAA CC(C)n1cc(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)cn1 328594622 ZNWFULSQCONQNX-MRXNPFEDSA-N 323.400 2.901 0 50 DFAA CCCOC(=O)N1CCC[C@]2(C1)C(=O)N(C)c1ccccc12 72161583 WCRLRLWSMMPPRY-QGZVFWFLSA-N 302.374 2.543 0 50 DFAA O=C([C@H]1C[C@]12CCNC2)N1CCC(Cc2cccc(F)c2)CC1 444156959 NEIGWXSMFFJVSA-MJGOQNOKSA-N 316.420 2.606 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(CN)cc2)C[C@@H](c2ccsc2)O1 237634621 ACQZLHGRKSWAAV-WBMJQRKESA-N 316.426 2.809 0 50 DFAA C[C@H]1C[C@H](C(=O)O)CN(c2nnc(-c3ccccc3)s2)C1 263208399 NDQQWZBMKUHXIB-JQWIXIFHSA-N 303.387 2.752 0 50 DFAA CN(Cc1cnn(C)c1C1CC1)Cc1[nH]nc2c1CCCCC2 71771117 UNAGXBWXAYEJNH-UHFFFAOYSA-N 313.449 2.922 0 50 DFAA COCc1nc(C)cc(N2CC[C@@]3(CNc4ccccc43)C2)n1 606443522 DEKCHVGEXYTRFC-GOSISDBHSA-N 310.401 2.505 0 50 DFAA C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 175320031 HNENTWGZUPGHGS-OCBCSQNSSA-N 313.372 2.779 0 50 DFAA CC(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)n[nH]1 426545237 XLQNILLHFPSUNZ-CQSZACIVSA-N 311.385 2.878 0 50 DFAA Cc1nnc(NC(=O)c2csc(NCc3ccco3)n2)s1 44892285 WBIHGUYFUHICAN-UHFFFAOYSA-N 321.387 2.760 0 50 DFAA Cc1ccc(N2CC[C@H](CNC(=O)c3ccn(C)c3C)C2)cc1 426730526 UVBTYKJKZPPRJI-MRXNPFEDSA-N 311.429 2.898 0 50 DFAA CC(C)(C(=O)NCCCSCc1ccco1)N1CCCC1 426503208 BYUQKXRNAACPJH-UHFFFAOYSA-N 310.463 2.894 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(Cl)c1 426530548 SRKFVZOSVIFIRH-AWEZNQCLSA-N 322.792 2.629 0 50 DFAA Cc1nn(C)cc1[C@H](C)NC(=O)c1nc2ccccc2s1 179634797 INAGGXRWPVKSTA-VIFPVBQESA-N 300.387 2.829 0 50 DFAA CCc1cc(C(=O)N(C)Cc2cccc(SC)c2)cc(=O)[nH]1 97436959 YQTJSRYKOAOZRD-UHFFFAOYSA-N 316.426 2.931 0 50 DFAA O=c1oc2cccnc2n1CCN1CCC[C@@H]1c1cccs1 180410147 SKVQISLHTTUBLP-GFCCVEGCSA-N 315.398 2.888 0 50 DFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)C[C@H]1CCCN1C 97743268 VIMXZMHDXCNUTD-OAHLLOKOSA-N 306.454 2.524 0 50 DFAA Cc1cc(C)n(-c2cccc(CN(C)Cc3nnc(C)o3)c2)n1 244741980 OAADMRCYLPEIRT-UHFFFAOYSA-N 311.389 2.813 0 50 DFAA CCOC(=O)N1CCC(N2CCO[C@H](c3ccccc3)C2)CC1 670437054 AMWAZPYYGHFPPG-KRWDZBQOSA-N 318.417 2.681 0 50 DFAA Cc1ccc([C@H]2CCCN2C(=O)c2cc3n(n2)CCCO3)o1 408275303 XJZUOSMVMWIWCB-CYBMUJFWSA-N 301.346 2.544 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)Cc2cc(F)ccc2F)n[nH]1 408469421 IDGWXYBXAWCBJE-AWEZNQCLSA-N 320.343 2.688 0 50 DFAA OC[C@@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 301355525 MFGZXLDXXNGSQL-CYBMUJFWSA-N 306.369 2.510 0 50 DFAA Cc1ccc(N2CCC[C@@H](Nc3nccc(N(C)C)n3)C2)cc1 301775916 QTSQRRJNDVYAGE-OAHLLOKOSA-N 311.433 2.932 0 50 DFAA CCN(C(=O)c1cncc(C(=O)O)c1)[C@H](C)Cc1ccsc1 630178359 RZFOGYXEDRWLEN-LLVKDONJSA-N 318.398 2.935 0 50 DFAA CN(C)C(=O)c1cccc(CCNc2ncnc3ccccc23)c1 169999532 YDBKXXMJMNCTCI-UHFFFAOYSA-N 320.396 2.986 0 50 DFAA O=C(O)c1cc2cc(Oc3ccccc3)ccc2n2nnnc12 170622749 GZBJTYDRFZXOKP-UHFFFAOYSA-N 306.281 2.768 0 50 DFAA Cn1nncc1CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 668454821 NCRVLRHLZUANMI-KRWDZBQOSA-N 323.400 2.593 0 50 DFAA Cc1cnc(C)c(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1 195563895 YLDKIKDFICQRGR-INIZCTEOSA-N 324.428 2.740 0 50 DFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc3ccncc13)C2 659218870 BANGDDPRAJHSMV-DIOULYMOSA-N 310.353 2.560 0 50 DFAA CC[C@H](C)[C@H](NC(=O)C(F)(F)c1nccn1C)C(F)(F)F 1615586585 WCGHIGGCRGAAPG-YUMQZZPRSA-N 313.270 2.605 0 50 DFAA COc1ccc(/C=C/C(=O)Nc2nc(C)cc(C)n2)cc1OC 199116 HDMHDKFBAYGUHV-SOFGYWHQSA-N 313.357 2.763 0 50 DFAA biogenic O=C(COCC(F)(F)F)NCc1ccc(C(F)(F)F)cc1 121433695 WKJMKXOJQPTKEO-UHFFFAOYSA-N 315.213 2.901 0 50 DFAA CC(C)Cc1ccc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@@H]2C)cc1 1772707013 XMELBWVCTIFREP-YOEHRIQHSA-N 314.429 2.720 0 50 DFAA OC[C@]12CCOC[C@H]1CN(Cc1[nH]c3ccccc3c1Cl)C2 1772700684 GIZJXDOKALYWQZ-SJKOYZFVSA-N 320.820 2.652 0 50 DFAA CC1CCN(C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 11775509 CGCINTWJQUXFDA-LJQANCHMSA-N 322.493 2.652 0 50 DFAA Cc1ccc2cc(-c3nccn3[C@@H]3CCN(C)C3=O)c(O)nc2c1 1857677677 MBGITFACWXZJBE-OAHLLOKOSA-N 322.368 2.516 0 50 DFAA CC(C)=CCC/C(C)=C/CN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857684107 ZGPPCPOBUKSRTN-YBFUFRCZSA-N 320.477 2.642 0 50 DFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ccc[nH]1)CC2 1857696501 DCMHAZOZWDBLAX-UHFFFAOYSA-N 320.396 2.656 0 50 DFAA CN1C(=O)NCC12CN(Cc1cccc(Oc3ccccc3)c1)C2 1857702318 IOUOFIGYSDZTNM-UHFFFAOYSA-N 323.396 2.688 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2nc3cnccc3s2)CCCO1 615419929 NRPHBWCHTXOYRS-GFCCVEGCSA-N 305.403 2.578 0 50 DFAA CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)c1ccc(N2CCCC2)nc1 230113846 PWHMKWPSSRTUNM-NUEKZKHPSA-N 316.401 2.652 0 50 DFAA Cc1ccc(CC(=O)N2CCC(N3CCCCC3=O)CC2)cc1 120279180 XBKLVPQGEFCUAH-UHFFFAOYSA-N 314.429 2.541 0 50 DFAA CO[C@H]1CCN(C(=O)[C@H](c2cccnc2)C2CCCCC2)C1 631622836 QGLLMXVHNLCZBC-IRXDYDNUSA-N 302.418 2.993 0 50 DFAA O=C(Nc1cccc(-c2nnsc2Cl)c1)[C@H]1CCCO1 585125916 IOMGZNVRWXAGAL-SNVBAGLBSA-N 309.778 2.976 0 50 DFAA Cc1cc(N2C(=O)CN([C@H](C)c3ccccc3)C2=O)sn1 900228045 BAXSUEMBIWPVJQ-LLVKDONJSA-N 301.371 2.981 0 50 DFAA CC(C)(C)c1nc(Cn2cc(C[C@H](O)C(C)(C)C)nn2)co1 900594270 ZNCAMGRMTUODKZ-ZDUSSCGKSA-N 306.410 2.561 0 50 DFAA CC(C)Cc1noc(Cn2cc([C@@H](O)c3ccccc3)cn2)n1 902852454 ULUDVGLZXLEKJP-KRWDZBQOSA-N 312.373 2.595 0 50 DFAA CC(C)OCc1ccc(C(=O)N[C@@H](C)c2cc(O)n[nH]2)cc1 822175101 POMCXVSADKIIMR-NSHDSACASA-N 303.362 2.531 0 50 DFAA Cc1cc(C(=O)NC[C@]2(C)CCCCO2)ccc1-n1cccn1 832455757 BCBHDNOUHFTPAD-SFHVURJKSA-N 313.401 2.870 0 50 DFAA O=C([C@H]1CCc2ccccc2O1)N1CCCC[C@H]1c1cncnc1 1875312688 PWHWDLPXGFUOEC-FUHWJXTLSA-N 323.396 2.924 0 50 DFAA Cn1cnnc1[C@@H]1CCCN1c1ccc(-c2ccncc2)cn1 893071622 RASISBPYCJFEPI-HNNXBMFYSA-N 306.373 2.614 0 50 DFAA COc1ccc(S(=O)(=O)NCCC(C)C)c2cccnc12 140962 AAJICCJQGMDEAR-UHFFFAOYSA-N 308.403 2.568 0 50 DFAA O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1 1013303 LBDKGPRGJQLHGW-UHFFFAOYSA-N 318.373 2.828 0 50 DFAA ClC(Cl)(Cl)c1nc(-c2nonc2NC2CC2)no1 12363052 PDCHEKITPNMROZ-UHFFFAOYSA-N 310.528 2.521 0 50 DFAA CC[C@H](C(=O)N(CC)Cc1cccc(Cl)c1)n1cncn1 2325775897 YXEIQLQJDYNBGC-CQSZACIVSA-N 306.797 2.931 0 50 DFAA CN[C@H](Cc1ccc(F)cc1F)c1cn(C[C@H]2CC23CC3)nn1 2325777186 LECCVQFFMROYNJ-IUODEOHRSA-N 318.371 2.860 0 50 DFAA CO[C@@H]1CC(N[C@@H](c2ncc[nH]2)C2CCCCC2)C[C@H]1OC 2325788828 JTOQFOZPOBJZNZ-BZUAXINKSA-N 307.438 2.813 0 50 DFAA CC[C@@H](NC(=O)c1cnc(O)c2ccsc12)c1ncc(C)[nH]1 2325804374 JGVAOYZNUWGWBK-LLVKDONJSA-N 316.386 2.915 0 50 DFAA NCc1cccc(-c2ccc(C(=O)N3CCn4ccnc43)cc2)c1 2325858371 KUFWDTPSVMXVSS-UHFFFAOYSA-N 318.380 2.669 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21 180396 PWQPVRGSCAIDNY-UHFFFAOYSA-N 322.773 2.935 0 50 DFAA NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 184401 HTPNTHKCKSMNJG-APPZFPTMSA-N 316.308 2.704 0 50 DFAA O=C(NC(=O)c1ccccc1O)c1ccc(Br)cc1 390961 MHXPDRJLWJXMRW-UHFFFAOYSA-N 320.142 2.725 0 50 DFAA O=C(NCCc1cccc(Cl)c1)[C@H]1CC=CC[C@H]1C(=O)O 460536 SPBDDZCGBICXSV-UONOGXRCSA-N 307.777 2.666 0 50 DFAA CCC[C@@]1(C(=O)O)CN(CCCc2ccccc2)CC[C@@H]1O 2356157621 OGDBAPHLGZVHFE-FUHWJXTLSA-N 305.418 2.557 0 50 DFAA CCOc1ccc([C@H]2N=C(N)Nc3nc4ccccc4n32)cc1 4741558 LWGXCHPVCBAJBJ-HNNXBMFYSA-N 307.357 2.722 0 50 DFAA O=C1CC[C@@H](Nc2ncncc2Cl)[C@H](c2ccccc2)N1 413566902 KIWJXAUJQZKBIG-OCCSQVGLSA-N 302.765 2.562 0 50 DFAA O=C(CCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)cc1 41109726 WQDYWQBQPMCYTM-RDJZCZTQSA-N 319.376 2.959 0 50 DFAA CCOc1ccccc1CN1CCN(C2CCC2)C[C@H]1CCO 104489875 RHDKGOWYJBZCNX-GOSISDBHSA-N 318.461 2.506 0 50 DFAA c1cnn(CCCNc2ccc(-c3nc(C4CC4)no3)cn2)c1 20783905 VFOSCNIRMWCHPL-UHFFFAOYSA-N 310.361 2.708 0 50 DFAA COc1cc(Cl)ccc1C(=O)NCC[C@H]1CCCN(C)C1 67840627 MAQVNHVXLAAAAK-GFCCVEGCSA-N 310.825 2.810 0 50 DFAA CCc1cc(CN(C)C(=O)c2c(C)[nH]c(C(C)=O)c2C)on1 67817361 LIPNYWPSHYHNFQ-UHFFFAOYSA-N 303.362 2.657 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)NCc2cn3cc(C)ccc3n2)c1C 65489629 LCPUKEROKXBELX-UHFFFAOYSA-N 324.384 2.720 0 50 DFAA CCOc1ccc(CCCC(=O)N[C@@H](C)c2ncn[nH]2)cc1C 63848637 ZYHQABCVIMNVIU-ZDUSSCGKSA-N 316.405 2.712 0 50 DFAA O=C(O)CCc1c(Br)cncc1Br 228943559 REUVALIBTKQPRW-UHFFFAOYSA-N 308.957 2.624 0 50 DFAA CCOc1ncccc1NC(=O)c1cc(-n2cccc2)ccn1 358405383 ZHDUWUWTMDZFRR-UHFFFAOYSA-N 308.341 2.918 0 50 DFAA O=C(CCn1cc(Br)cn1)N1CCc2ccccc21 2778262 WFSASCHXMXLFOR-UHFFFAOYSA-N 320.190 2.625 0 50 DFAA COc1ccc(Cc2nn3c(C(C)C)nnc3s2)c(OC)c1 71747636 HGCGGSMSXXMWON-UHFFFAOYSA-N 318.402 2.917 0 50 DFAA O=C([C@H]1C[C@@H]1c1cccc(O)c1)N1CCO[C@@H]2CCCC[C@H]21 253428015 FZROGWXMTLPSHE-YYIAUSFCSA-N 301.386 2.666 0 50 DFAA CN(C)CCn1ccc2ccc(NC(=O)c3ccccn3)cc21 151000403 ILTYPWWVLQBSFB-UHFFFAOYSA-N 308.385 2.850 0 50 DFAA CC(C)[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ncnn1C 218984209 VTKVWYFMXWAUDW-LBPRGKRZSA-N 310.760 2.735 0 50 DFAA c1ccc(COC2CCN(Cc3cnn4cccnc34)CC2)cc1 215884998 VZZUBAWOFFFLMZ-UHFFFAOYSA-N 322.412 2.911 0 50 DFAA CC[C@@H](C(=O)Nc1ccc(N2CCNCC2)cn1)c1ccccc1 261703589 OZNIVQKAAKAILT-QGZVFWFLSA-N 324.428 2.624 0 50 DFAA CCn1cc(CC(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc21 236944541 KIUDQBZEWAVJJH-ZDUSSCGKSA-N 314.385 2.527 0 50 DFAA COc1nc(C)cc(NCc2sncc2Br)n1 1364249432 TVWNVATYEWEKNU-UHFFFAOYSA-N 315.196 2.625 0 50 DFAA Cc1[nH]nc2ncc(C(=O)N3CC[C@@H](Cc4ccccc4)C3)cc12 128226893 UMTJTNIQDLTYBX-HNNXBMFYSA-N 320.396 2.971 0 50 DFAA CCCc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)co1 282665527 VPMGSPCGYDKQED-UKRRQHHQSA-N 318.348 2.714 0 50 DFAA NC(=O)c1cccc(NC(=O)c2cc(F)cc3cccnc23)c1 157789948 JUNCXWFLKQVWJT-UHFFFAOYSA-N 309.300 2.725 0 50 DFAA FC(F)(F)c1ccnc(N2CCC=C(Br)C2)n1 241653371 PUNUSVKEGGLLMM-UHFFFAOYSA-N 308.101 2.984 0 50 DFAA O=c1cc(CNCc2cn3ccccc3n2)[nH]c2ccc(F)cc12 77298856 RYVWKAVXHPTLJM-UHFFFAOYSA-N 322.343 2.605 0 50 DFAA Cc1ccc(C(=O)N2CCn3c(CC(C)C)nnc3C2)cc1F 241776830 RTARLIKQSZRTSI-UHFFFAOYSA-N 316.380 2.580 0 50 DFAA COc1ccc(OC[C@@H]2CCCN(C(=O)CSC)C2)cc1 77505137 JHTPIQMKQMWUHS-CYBMUJFWSA-N 309.431 2.676 0 50 DFAA O=C(NC1CC(N2CCCCC2)C1)c1cc(O)ccc1Cl 378139046 PLZYIRASGDKNDM-UHFFFAOYSA-N 308.809 2.792 0 50 DFAA Cc1ccc([C@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)o1 159234862 FDRNYSBJASJHMP-QWHCGFSZSA-N 318.377 2.704 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 339441542 WITJNTBQBPIKNC-CVEARBPZSA-N 303.333 2.686 0 50 DFAA COc1ccccc1CNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 177794321 OJGXOIZFSVOMAQ-LIRRHRJNSA-N 313.397 2.866 0 50 DFAA CC(=O)c1c[nH]c(C(=O)N2CCOC3(CCCCCC3)C2)c1 132821515 KPNPCDFSPSIYEI-UHFFFAOYSA-N 304.390 2.783 0 50 DFAA C[C@@H](NC(=O)c1cncn1-c1ccc(F)cc1)C1CCOCC1 178319847 GSOMUFNOQLPNBB-GFCCVEGCSA-N 317.364 2.556 0 50 DFAA CC(C)n1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391345 UIXYILBRURYSAZ-UHFFFAOYSA-N 323.331 2.826 0 50 DFAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccnc1S 160963465 ZVVVPYYKPIZEGK-GFCCVEGCSA-N 306.431 2.982 0 50 DFAA CCN(Cc1noc(C)n1)C(=O)Nc1c(C)cccc1OC 96140897 NPHFGISVHHYXPP-UHFFFAOYSA-N 304.350 2.749 0 50 DFAA CCCSCCNC(=O)c1cnc(N)nc1-c1ccccc1 97499696 VOJWCOCMLHHEQA-UHFFFAOYSA-N 316.430 2.599 0 50 DFAA CCOc1ccnc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 426578865 SVFQKNQJVUOANN-CQSZACIVSA-N 313.401 2.936 0 50 DFAA Cc1ccncc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 91586908 LXIPMWUPIRHOPR-MRXNPFEDSA-N 311.385 2.606 0 50 DFAA Cc1noc(C)c1CCCNc1nc2c(s1)c(C)nn2C 95525157 REHTUTYTCBAODO-UHFFFAOYSA-N 305.407 2.988 0 50 DFAA CCCn1cc(CNCc2cc(=O)c3cc(F)ccc3[nH]2)cn1 91503711 RWKYKCYWFWUSJX-UHFFFAOYSA-N 314.364 2.564 0 50 DFAA CCCCc1nnc(NCc2ccc(-n3cncn3)c(C)c2)o1 181666168 MYJDFQPKNIWDIG-UHFFFAOYSA-N 312.377 2.913 0 50 DFAA Cc1nn(CCC(=O)N=c2cc(C(C)(C)C)o[nH]2)c(C)c1C 1940195951 YCBFPWLEEUDREM-UHFFFAOYSA-N 304.394 2.545 0 50 DFAA COc1ccccc1OCc1n[nH]c(CN(C)C2CCCC2)n1 824827571 KGQYZVXDHNTUIP-UHFFFAOYSA-N 316.405 2.767 0 50 DFAA Brc1cnc2ccc(I)cn12 89201942 LZAXVCBLZXZVCK-UHFFFAOYSA-N 322.931 2.701 0 50 DFAA in-vitro Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1CCC(C(=O)O)CC1 268924882 DWHBSZRMTKTDFV-BCAXMMLOSA-N 301.386 2.858 0 50 DFAA CN(Cc1ccccc1)C(=O)N1CC[C@H](CN2CCCC2)C1 185864832 HLNPDESPUAIYRI-QGZVFWFLSA-N 301.434 2.656 0 50 DFAA C[C@@H](CNC(=O)c1ccc(CN)cc1)c1ccc(F)c(F)c1 170046829 XZSWJZWNKJBMOB-NSHDSACASA-N 304.340 2.957 0 50 DFAA CCCc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)O)c2)n[nH]1 666364953 VKJKVWOMICEAGA-SNVBAGLBSA-N 301.346 2.803 0 50 DFAA CO[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 190703408 UCAQFDWVVBKWNY-STQMWFEESA-N 316.405 2.576 0 50 DFAA CCc1nnc(NC[C@H](C)Oc2ccccc2OC)nc1CC 192123970 DQYPTJJJICRCMF-LBPRGKRZSA-N 316.405 2.884 0 50 DFAA Fc1ccc(Cc2noc(-c3cn(C4CCC4)nn3)n2)c(F)c1 647383041 MCXZGXWURLMLIP-UHFFFAOYSA-N 317.299 2.922 0 50 DFAA O=C(c1ccncc1C(F)(F)F)N1CCC(c2ccn[nH]2)CC1 193091767 MWGQLJYWCBPERP-UHFFFAOYSA-N 324.306 2.843 0 50 DFAA COC(=O)[C@H](NC(=O)N1CCc2ccccc21)c1ccccc1 193440614 IJAVNYWYBPLVAI-MRXNPFEDSA-N 310.353 2.673 0 50 DFAA CC(C)N(Cc1cc(-c2cccs2)on1)S(C)(=O)=O 664072769 JBUTXZGPSOBSFN-UHFFFAOYSA-N 300.405 2.573 0 50 DFAA O=C1CNC(=O)N1c1ccc(Cc2nc3ccccc3s2)cc1 777553835 YGOGBYSTLIBNOO-UHFFFAOYSA-N 323.377 2.943 0 50 DFAA O=C(Nc1cccc([C@H](O)C(F)(F)F)c1)[C@H]1CCCCO1 1615605913 PFJZQHCOFIGAAO-NEPJUHHUSA-N 303.280 2.790 0 50 DFAA CCC[C@@H]1COC[C@@H]2CN(Cc3cccc(F)c3F)CCN21 1616072894 JUDMJGVSGJSPJH-CABCVRRESA-N 310.388 2.650 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(Cc1cnn3cccnc13)C2 1704338112 KYXTZZANPLBRQQ-WBVHZDCISA-N 300.406 2.510 0 50 DFAA O=C(NC[C@@H]1CCc2ccccc2C1)N[C@@H]1C[C@H]2OCCC[C@H]12 215652692 KKSSEPVQGSVYHP-BNEJOLLZSA-N 314.429 2.658 0 50 DFAA O=C(c1cc[nH]c1)N1CCC2(CC1)OCCc1sccc12 1704359613 VMCUGIYWMSTOMW-UHFFFAOYSA-N 302.399 2.780 0 50 DFAA COCCC(=O)N1CCC[C@@H](CCc2cccc(OC)c2)C1 11772501 PVFYNEYJYWABDY-INIZCTEOSA-N 305.418 2.903 0 50 DFAA C[C@H](Oc1ccccc1Br)C(=O)Nc1ccon1 12380966 BSPUGOKISDSMSK-QMMMGPOBSA-N 311.135 2.843 0 50 DFAA CC(=O)NCCNC(=O)C[C@H](c1ccccc1)c1ccccc1C 12711817 SIMRZKFFGREMPF-LJQANCHMSA-N 324.424 2.769 0 50 DFAA O=C1[C@@H]2C[C@@H](CN2Cc2cccnc2)N1c1ccccc1Cl 15070211 IAFMYTYGDYWPAK-BBRMVZONSA-N 313.788 2.725 0 50 DFAA CC(C)c1noc(-c2nc(-c3ccc4c(c3)OCO4)no2)n1 169759367 WUOMKYBREOUUQB-UHFFFAOYSA-N 300.274 2.639 0 50 DFAA CN1C(=O)N[C@H]2C[C@@]1([C@H]1CCCOC1)Oc1ccc(Cl)cc12 1857530539 UPBYGMSNMWRHDE-NKFCBESUSA-N 322.792 2.942 0 50 DFAA Cc1ccc2ncnc(N3CCC(Oc4cccnc4)CC3)c2n1 1857680711 MXMIALYRHFYHLB-UHFFFAOYSA-N 321.384 2.776 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)NC[C@@H]2CCCCN2C2CC2)c1 225495812 CLXQQIICECWGSC-WBVHZDCISA-N 316.445 2.895 0 50 DFAA CN(C)c1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1 225577854 ODJLDLAYJBONMF-HNNXBMFYSA-N 312.417 2.506 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 237942159 DHFXDEVQAZVYCN-RKDXNWHRSA-N 314.168 2.830 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 238096849 RPRSPWNVFZBUSW-JTQLQIEISA-N 320.732 2.542 0 50 DFAA Clc1cnc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1 252499009 RTNKSILQKZBOOD-SNVBAGLBSA-N 312.204 2.897 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)nc1 361860199 VUHHFTPCAUIUAE-ZDUSSCGKSA-N 311.385 2.823 0 50 DFAA CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)C1 378087007 KZLSONABLXYKNY-NVXWUHKLSA-N 314.429 2.940 0 50 DFAA Cn1nnc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1C(F)F 900851766 IJTOODKBNHYPGR-LLVKDONJSA-N 322.315 2.509 0 50 DFAA C[C@@]1(O)CCOC2(CCN(CCOc3ccc(F)cc3)CC2)C1 1704300643 ZUTGAFJGHLOWPQ-QGZVFWFLSA-N 323.408 2.601 0 50 DFAA Cc1csc2ncn(Cc3nc4c(o3)CCCC4)c(=O)c12 871671865 QCDXWAPXMOQBPK-UHFFFAOYSA-N 301.371 2.682 0 50 DFAA C[C@H]1C[C@@H]1c1nc(C2(NC(=O)OC(C)(C)C)CCOCC2)no1 1875273047 ZISFLDGJTHLLNH-QWRGUYRKSA-N 323.393 2.723 0 50 DFAA CCn1cnc2c(N3CCC[C@H]3[C@@H]3CCCOC3)nccc21 1875294633 LASWQAPVRFSHLO-KGLIPLIRSA-N 300.406 2.847 0 50 DFAA COc1cc(-c2noc([C@H]3CCCN3C)n2)cc(OC)c1OC 1875262402 YESFMEAPYMZUCX-LLVKDONJSA-N 319.361 2.529 0 50 DFAA CCOCCNC(=O)c1ccc(-c2ccc3nccn3c2)cc1 1875350045 YSLCRJJJIXPAJB-UHFFFAOYSA-N 309.369 2.768 0 50 DFAA CC(C)Cc1ccccc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887003687 ZYRZQTXESJWYKM-IAGOWNOFSA-N 317.429 2.545 0 50 DFAA O=C(NC[C@@H](O)C1CC1)Nc1ccc(Cl)c(C(F)(F)F)n1 1775992356 LPPQTOPIMAOHKV-MRVPVSSYSA-N 323.702 2.646 0 50 DFAA CCc1ccc2c(c1)CN(c1ccc(S(C)(=O)=O)cn1)CC2 1775994269 BYMXNTQALDCCLQ-UHFFFAOYSA-N 316.426 2.610 0 50 DFAA FC(F)(F)[C@@]12C[C@@H]1CN(c1nnc(C3CC3)n1CC1CC1)C2 1776007395 ZIHXPSMFUFFWNP-BXUZGUMPSA-N 312.339 2.954 0 50 DFAA CCc1cccc2c(C(=O)NC3(C(=O)O)CC(C)C3)c[nH]c12 2325788587 QCCXDOXRPBNSJK-UHFFFAOYSA-N 300.358 2.713 0 50 DFAA COc1cc2c(-c3ccc4nc(CO)[nH]c4c3)cn(C)c2cn1 2325863004 QBIPGZHQYVIUMT-UHFFFAOYSA-N 308.341 2.618 0 50 DFAA CCOc1ccccc1OCC(=O)Nc1ccc(C(=O)O)cc1 64978 QUXNSGQUQDXKBN-UHFFFAOYSA-N 315.325 2.801 0 50 DFAA Cc1c2cnc3nn(-c4ccccc4)c(=O)c-3cc2c(C)n1C 203939 BMRSMMHLFIZFGR-UHFFFAOYSA-N 304.353 2.841 0 50 DFAA Cc1ccc(S(=O)(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 1712055 XLOXYWLRAKCDQL-UHFFFAOYSA-N 324.423 2.509 0 50 DFAA CCCc1cnc(C)nc1N1CCC2(CC1)C[C@@](C)(O)CCO2 2356161562 ABICNEDDYKAHPX-KRWDZBQOSA-N 319.449 2.638 0 50 DFAA Fc1ccccc1OCCSc1nnnn1-c1ccccc1 2858094 SPMLEQUEEPDDPQ-UHFFFAOYSA-N 316.361 2.973 0 50 DFAA COc1ccccc1OCCOCCOCCN1CCCCC1 4213461 PPVFOZYARYOARE-UHFFFAOYSA-N 323.433 2.593 0 50 DFAA in-man CCCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1 8714702 MNXRUAODYJFDFK-UHFFFAOYSA-N 306.387 2.980 0 50 DFAA O=C1C[C@@H](C(=O)N2CCc3sccc3C2)c2ccccc2N1 10924857 JQLBVKMIVDDALH-CYBMUJFWSA-N 312.394 2.759 0 50 DFAA CC(C)=CCN1CCN(Cc2cc(F)cc(F)c2)C[C@@H]1CCO 20542240 QDHNHOMGQAWQBA-SFHVURJKSA-N 324.415 2.800 0 50 DFAA Cc1cccc(Cn2nc(C)cc2NC(=O)c2csnn2)c1 55307700 HZLXXFLPKWCSPO-UHFFFAOYSA-N 313.386 2.652 0 50 DFAA COc1cccc(OC)c1OCCCN1C[C@H](C)O[C@@H](C)C1 20166891 XEXFRABNVIMHEQ-KBPBESRZSA-N 309.406 2.582 0 50 DFAA COc1cccc(NCc2nn(Cc3ccc(C)cc3)c(=O)[nH]2)c1 65362002 FTKURIMHSVJBNB-UHFFFAOYSA-N 324.384 2.549 0 50 DFAA COc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(C(=O)O)s1 65395628 BSOZMHQHDBGLHN-QMMMGPOBSA-N 319.338 2.635 0 50 DFAA CNC(=O)CC1CCN(Cc2c(F)ccc(F)c2Cl)CC1 65460592 KLXTYINVYRBODZ-UHFFFAOYSA-N 316.779 2.966 0 50 DFAA OCC[C@@H]1CN(Cc2ccsc2)CCN1Cc1cccs1 23359689 QHKWVJIWDHEBFV-OAHLLOKOSA-N 322.499 2.878 0 50 DFAA COc1ccccc1N1CCN(C[C@H](O)CC2CCCC2)CC1 252490101 KJBMOJIVNMBDJR-QGZVFWFLSA-N 318.461 2.758 0 50 DFAA CC[C@H](C(=O)NC1CCCCC1)N1CC(n2nc(C)cc2C)C1 65375522 NRMDVMNYJABKKH-QGZVFWFLSA-N 318.465 2.584 0 50 DFAA CC(C)N1CC[C@H](CNC(=O)c2cc(-c3ccsc3)[nH]n2)C1 67833456 LGNWCCLPLXJSSW-GFCCVEGCSA-N 318.446 2.598 0 50 DFAA COc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 85463 LNBSTWIFHFGNPP-UHFFFAOYSA-N 304.367 2.660 0 50 DFAA COc1cc(Cn2nc(C(F)(F)F)c3cnccc32)ccn1 357198264 IQZSTOIWYPHKJL-UHFFFAOYSA-N 308.263 2.902 0 50 DFAA COC(=O)c1cc(-c2nccn2-c2cccc(CO)c2)ccc1O 72147131 WZLSGWZFPVQCAT-UHFFFAOYSA-N 324.336 2.524 0 50 DFAA C[C@H]1CCN(C(=O)Nc2ccc(F)cn2)C[C@H]1n1ccnc1 123424446 VFAFKADCDVDWJO-WCQYABFASA-N 303.341 2.532 0 50 DFAA Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)Cc1cccnc1 331853709 RAWRUJXWXXOCCE-GFCCVEGCSA-N 324.306 2.669 0 50 DFAA Cc1cc(C)c2c(n1)sc1c(=O)n(CCCCCN)cnc12 32587352 IRSIJEMRXWZATL-UHFFFAOYSA-N 316.430 2.752 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 241946765 UNTSFJDBXNEQLY-ZLKJLUDKSA-N 312.435 2.881 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1nc2c(s1)C(=O)CCC2 333910956 XDBNUGRQZKZYEF-YGOYTEALSA-N 306.387 2.558 0 50 DFAA COC[C@H](C)Nc1cc(-c2ccccc2F)nc2ccnn12 72423999 RVUZSWYWFDYZIF-NSHDSACASA-N 300.337 2.982 0 50 DFAA Cc1cc(C)cc(CN2CCN(c3nc(C)cs3)CC2=O)c1 77455718 TUJLZUIEVGLLCG-UHFFFAOYSA-N 315.442 2.917 0 50 DFAA CCCCn1c(S(=O)(=O)Cc2ccccn2)nc(C)c1C 194807857 UEIHGRYPBFRNQY-UHFFFAOYSA-N 307.419 2.669 0 50 DFAA CCN(CC(F)(F)F)C(=O)Nc1cccc(C(N)=O)c1C 426535699 TVLDMCZHHYJNFL-UHFFFAOYSA-N 303.284 2.510 0 50 DFAA Cc1cccc([C@H](C(=O)NC(C)(C)CN2CCCC2)N(C)C)c1 95381973 GIVAYZRQBDBHHN-QGZVFWFLSA-N 317.477 2.588 0 50 DFAA c1ccc([C@H](Cn2cccn2)n2cc(-c3nccs3)nn2)cc1 95384218 YCVIKHXFNPXQAD-HNNXBMFYSA-N 322.397 2.888 0 50 DFAA Cc1noc(C)c1C(=O)NC[C@@H]1CCOc2ccccc2C1 95362278 WMKTXPVOGPNEAT-CYBMUJFWSA-N 300.358 2.663 0 50 DFAA Cn1ccc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21 91452775 DRPUGXQWKGHCDN-UHFFFAOYSA-N 308.337 2.837 0 50 DFAA CN1CCC(CCC(=O)N(C)CC[C@@H](O)c2ccccc2)CC1 97655476 HDKOOMHNOXGOCW-GOSISDBHSA-N 318.461 2.691 0 50 DFAA Cc1cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cc(O)n1 293952112 OYNJWVIXIUAJJZ-SECBINFHSA-N 317.292 2.586 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC[C@@H]4N(CCO)CC[C@@]43C)[C@@H]1CC[C@@H]2O 247722580 BSIXKFWZOQKKGU-TVRUUFEMSA-N 307.478 2.657 0 50 DFAA biogenic Cc1ccc(C(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)n1C 296822411 HAKMCMJKGXVGTA-OAHLLOKOSA-N 306.793 2.793 0 50 DFAA CCOc1cccc(CN(C)C(=O)N[C@@H](CC)CN(C)C)c1 534673757 YYWCGQBBRGWDIV-HNNXBMFYSA-N 307.438 2.567 0 50 DFAA O=C(O)Cc1cc(Br)c(F)cc1Br 263624582 RTGBTISCBMOGNN-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA COc1ccc(Cn2cc(-c3cccc(CC(=O)O)n3)cn2)cc1 534673134 OTAWGLODHOVRJQ-UHFFFAOYSA-N 323.352 2.629 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)c1nc2cccc(C)n2c1F 299775080 JQCFRFBTYMTLND-CYBMUJFWSA-N 319.380 2.813 0 50 DFAA Cn1ccnc1SCCNC(=O)Nc1cccc2c1CCC2 299803145 YFMRJHMOMBVKSS-UHFFFAOYSA-N 316.430 2.823 0 50 DFAA O=C(C[C@H]1CCCOC1)NC1(CN2CCCC2)CCCCC1 584900103 CXJBZOYRYYJBOA-MRXNPFEDSA-N 308.466 2.718 0 50 DFAA COc1cccc([C@H]2CCN(c3nnc(C)s3)C2)c1OC 670452361 QBRLOXDXSVOWHP-NSHDSACASA-N 305.403 2.858 0 50 DFAA C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)C[C@H]2C=CS(=O)(=O)C2)C1 1434349375 BTEURXNTJMQXJP-XJKCOSOUSA-N 313.463 2.656 0 50 DFAA CCOCc1cccc(S(=O)(=O)N(C)c2ccc(F)cn2)c1 1463713786 WTBJNLSBCMEDNS-UHFFFAOYSA-N 324.377 2.582 0 50 DFAA COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C(C)C)[nH]n1 170609887 WRQTUEVRKVIXLE-HNNXBMFYSA-N 315.417 2.863 0 50 DFAA CCC1=C(C(=O)N2CCC[C@H](Cc3nccn3C)C2)CCCO1 189494243 LTQDLLPCMQAMON-CQSZACIVSA-N 317.433 2.676 0 50 DFAA O=C(C[C@H](O)C1CC1)NCCc1ccc(C(F)(F)F)cc1 1615586717 REPZKEXQXBPWGX-ZDUSSCGKSA-N 301.308 2.525 0 50 DFAA CC(C)[C@H]1N(C(=O)CCc2nc(C3CC3)no2)CC12CCC2 1615578965 VADULSYJHFSLJA-OAHLLOKOSA-N 303.406 2.917 0 50 DFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cc2cc(C)c(C)cc2o1 1615618163 HIIUUOHCVCONFK-KBPBESRZSA-N 303.358 2.583 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)CN(C)Cc1ccc(F)cc1 1529158428 CNTUGESMYJJLAJ-UHFFFAOYSA-N 318.396 2.501 0 50 DFAA CC(C)COc1cc(O)cc(C(=O)N2CCc3nocc3C2)c1 1772710218 MRRLGHGZPLZHOR-UHFFFAOYSA-N 316.357 2.614 0 50 DFAA O=C(O)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1 5799941 OPPVUBSIFDPEHQ-AWEZNQCLSA-N 300.383 2.669 0 50 DFAA CC(C)(C)CNC[C@@]1(O)CCCN(CC2CCCCC2)C1=O 11767413 KPQOWCWKRGFZEZ-SFHVURJKSA-N 310.482 2.556 0 50 DFAA CC(C)CCNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002354 WTNYFZFUVFSBDR-UHFFFAOYSA-N 324.446 2.528 0 50 DFAA CCCCNc1ccc(C(=O)N2CCC[C@@H](COC)C2)cn1 19226481 BNUIQOAKUIESJA-CQSZACIVSA-N 305.422 2.792 0 50 DFAA COc1ccc2c3c([nH]c2c1)[C@]1(NCC3)C(=O)Nc2ccccc21 19804812 WMAYESUWLHFVIV-IBGZPJMESA-N 319.364 2.518 0 50 DFAA biogenic Cc1cc(C)n2ncc(-c3nccn3[C@H](C)c3ncc(C)[nH]3)c2n1 1857690975 XFXXHARNCPOHNO-CYBMUJFWSA-N 321.388 2.850 0 50 DFAA CC(C)[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H](c2ccccc2)O1 1875250831 KXNGNIOXAGMPQO-SJORKVTESA-N 313.401 2.577 0 50 DFAA COCCn1c(C)c(C)s/c1=N/C(=O)C1C(C)(C)C1(C)C 215912630 JKGIMVBQKSRTGX-SAPNQHFASA-N 310.463 2.922 0 50 DFAA in-vitro CNc1nc(C)cc(C(=O)NC(C)(C)c2nc(C)c(C)s2)n1 225559980 OLBJCNKAPDKNFY-UHFFFAOYSA-N 319.434 2.565 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)NC[C@@H]2CCCS2)CC1 126470111 NNFGECFSMJOJRX-KGLIPLIRSA-N 300.468 2.873 0 50 DFAA COc1ccccc1N1CCN(Cc2ccc3nonc3c2)CC1 821341514 AWMCNBGNYPGUKT-UHFFFAOYSA-N 324.384 2.554 0 50 DFAA CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)/C=C/CN(C)C 1875375343 AAGNNOPCHHJWDE-DHNZNOCSSA-N 316.445 2.572 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)Cn1ccnc1C 885745009 PMWCKXMCIATXHW-CYBMUJFWSA-N 318.446 2.535 0 50 DFAA Cn1cncc1[C@@H]1C[C@H]1NC(=O)c1cscc1C(F)(F)F 888100661 BSTRAQCXXDZQJC-GMSGAONNSA-N 315.320 2.786 0 50 DFAA Cc1cc(COCC(=O)N2CCc3cccc(Cl)c32)no1 1775999405 MFJQZQAITOLHNJ-UHFFFAOYSA-N 306.749 2.742 0 50 DFAA COCCC(=O)N1CCC(N[C@@H]2CCCC(F)(F)CC2)CC1 1776005991 LLORFEAOUOMWKD-CYBMUJFWSA-N 318.408 2.572 0 50 DFAA O=C(C[C@@H]1CCC2(CCC2)CO1)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 899172430 CCOSLAGUUISMCJ-HZMVEIRTSA-N 321.461 2.878 0 50 DFAA Cc1ccc(C)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 45625 LMWAGXVZVZCSLJ-UHFFFAOYSA-N 321.380 2.960 0 50 DFAA CCc1nccn1C[C@@H](C)NC(=O)c1cc2c(C)cccn2c1 2325782699 XFWGAJYECCHIPX-CQSZACIVSA-N 310.401 2.825 0 50 DFAA Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1cccnc1 2325825602 WOSNHBBSSHRLAS-UHFFFAOYSA-N 324.359 2.594 0 50 DFAA CCc1[nH]nc(Cl)c1C(=O)OCc1conc1C(F)(F)F 860747655 HKROEHZEIHVXOT-UHFFFAOYSA-N 323.658 2.989 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 111373 QSNGQYQOJIGVDQ-CYBMUJFWSA-N 310.353 2.687 0 50 DFAA Cc1cc(NCN2C(=O)CSC2=O)ccc1Br 1186416 XZYAXGDATKNSDV-UHFFFAOYSA-N 315.192 2.822 0 50 DFAA COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 2852666 LBRDKDMIXCJVKA-UHFFFAOYSA-N 312.369 2.624 0 50 DFAA O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc(Cl)c(F)c1 4873314 SFMVVWUXHKDWAF-CYBMUJFWSA-N 310.756 2.597 0 50 DFAA CCOC(=O)CSc1nnc(-c2ccccc2C)n1CC 6727181 CPPNSLLXPMLGSE-UHFFFAOYSA-N 305.403 2.929 0 50 DFAA CCOc1ccccc1CCCNS(=O)(=O)c1ccccc1 10111001 UWYNWRRHPNTIRO-UHFFFAOYSA-N 319.426 2.996 0 50 DFAA C[C@@H](C(=O)O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 225449877 VCSYRUWECJOWMQ-NSHDSACASA-N 305.353 2.553 0 50 DFAA CC(C)n1c(S)nnc1CCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 225413501 QRHZCEIMKWHRLP-RWMBFGLXSA-N 322.478 2.633 0 50 DFAA Cc1cc(C)c2c(C(=O)N(C)C)cc(-c3cnn(C)c3)nc2c1 23479175 DTIRTBJNOQYFPW-UHFFFAOYSA-N 308.385 2.954 0 50 DFAA CCOC(=O)Cc1coc(NC(=O)c2ccc(Cl)cc2)n1 23115110 VGNOHVFGWVXJES-UHFFFAOYSA-N 308.721 2.686 0 50 DFAA Cc1ccc(C2(c3nc(-c4cc(C(N)=O)c[nH]4)no3)CCC2)cc1 351399699 DQFYQGWFOSQGIG-UHFFFAOYSA-N 322.368 2.942 0 50 DFAA CC(C)Cn1ncc(C(=O)N[C@H](CN)C2CCCC2)c1C1CC1 423936668 CVGXMMRURVMMLG-MRXNPFEDSA-N 318.465 2.664 0 50 DFAA O=C([C@@H]1C[C@H]1c1cccnc1)N1CCO[C@H](c2ccsc2)C1 120173947 CRUOLVBSLJSFSY-XHSDSOJGSA-N 314.410 2.847 0 50 DFAA CC(C)CN1CCCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 252504556 VKJWXDVTLBFWSH-AWEZNQCLSA-N 304.438 2.527 0 50 DFAA COc1ccc(-c2noc(-c3cc(-c4ccccn4)no3)n2)cn1 355642511 BGKPRQGXBDHCQL-UHFFFAOYSA-N 321.296 2.857 0 50 DFAA CCN1C[C@H](C)N(Cc2nc(-c3ccc(F)cc3)no2)[C@H](C)C1 253430125 PZKPGJONWFONAH-BETUJISGSA-N 318.396 2.790 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)cc1C 72117801 PJDUPECSMVEZQA-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA Cc1cc(C)n2c(CN[C@H]3CCc4ccccc4OC3)cnc2n1 370551419 GXOIJZVIFFWOOK-INIZCTEOSA-N 322.412 2.830 0 50 DFAA CC[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCO1 74231523 FYJDDZBQYFMROT-CYBMUJFWSA-N 301.308 2.885 0 50 DFAA C[C@H](CC(=O)N1CCC[C@H](C(=O)O)C1)Cc1cccc(F)c1 128508350 HWJKETLJJJBXIY-JSGCOSHPSA-N 307.365 2.718 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@H](N)C[C@@H]3C)co2)cs1 237529373 IFAQJPQCDIEMPX-CABZTGNLSA-N 305.403 2.663 0 50 DFAA O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@](O)(C2CC2)C1 373250723 SEXBKTOJSRPOPW-LJQANCHMSA-N 324.380 2.861 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cnc(Cc2ccccc2)s1 237627770 BZRKLAJPQBOQPN-GXTWGEPZSA-N 315.442 2.686 0 50 DFAA Cc1nnc([C@H]2CN(c3ncc(Cl)cc3Cl)CCO2)o1 376490655 ZGDKZIKTCMVGDB-SNVBAGLBSA-N 315.160 2.658 0 50 DFAA Cc1cccc2ncnc(N[C@H]3CCO[C@@H]3c3ccnn3C)c12 284558810 NGHHZFCWXWGMQW-BBRMVZONSA-N 309.373 2.614 0 50 DFAA CCc1nnc(CN(C)c2nccc(CCC(F)(F)F)n2)o1 71747135 XPBIWRVFAJKPEW-UHFFFAOYSA-N 315.299 2.553 0 50 DFAA c1cncc(-c2n[nH]cc2CN2CC[C@H](Cc3ccncc3)C2)c1 378633557 PBQKFEQSVYZMLJ-MRXNPFEDSA-N 319.412 2.931 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)c2ccn(C(F)F)n2)C1 222601633 ASLXZAXGCQQLDZ-UHFFFAOYSA-N 321.327 2.798 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)[C@@H]1OCC[C@@H]1C(C)C)CCO2 290536884 OJWYZTGJKXIFIN-NVXWUHKLSA-N 303.402 2.777 0 50 DFAA C[C@@H](c1ccon1)N(C)C(=O)Cn1ccnc1-c1ccccc1 95381215 NRDWLHVHMCMAQD-ZDUSSCGKSA-N 310.357 2.758 0 50 DFAA COc1cc(CN2CCCO[C@H](CN3CCCC3)C2)ccc1F 97334334 JOOVDUXZAJUDBE-MRXNPFEDSA-N 322.424 2.521 0 50 DFAA CCOc1nnc(CN2CCCC[C@H]2c2nccn2CC)s1 294165593 PROHUHFSTBFNKK-LBPRGKRZSA-N 321.450 2.880 0 50 DFAA COCCC[C@@]1(CO)CCCN(Cc2nc(C)sc2C)C1 92099855 PSOQYUQQZAYNPR-INIZCTEOSA-N 312.479 2.761 0 50 DFAA O=C(c1cnc(C2CC2)[nH]c1=O)N1CC=C(c2ccccc2)CC1 97642195 UTZGUONRXLIQJY-UHFFFAOYSA-N 321.380 2.577 0 50 DFAA COc1c(Cl)cc(Cl)cc1CN1CCO[C@H](CCN)C1 97776053 GJEQSWOEOIVKDQ-GFCCVEGCSA-N 319.232 2.552 0 50 DFAA N[C@H]1CN(C(=O)c2ccsc2)CC[C@@H]1c1ccc(F)cc1 297293818 UZOGAIKILKJSML-CABCVRRESA-N 304.390 2.844 0 50 DFAA O=C(Cn1cc(Br)cn1)NCCCC1CCCC1 298733659 UOLPIUJVAAMARB-UHFFFAOYSA-N 314.227 2.732 0 50 DFAA COc1ccnc(N2CCC3(CC2)OCCc2ccsc23)n1 351873788 DNCSYKYZQGQONT-UHFFFAOYSA-N 317.414 2.615 0 50 DFAA CC(=O)N1CCC[C@@H](N=c2cc(C)[nH]c3ccc(F)cc23)C1 534674613 FAPXSCKHIZIYPO-CQSZACIVSA-N 301.365 2.527 0 50 DFAA COc1c(C)cc(NC(=O)NCc2snnc2C)cc1C 299781019 DCBQEPYLPNWFKS-UHFFFAOYSA-N 306.391 2.794 0 50 DFAA O=C(CCc1nc(C2(c3ccccc3)CC2)n[nH]1)NC1CCCC1 828007294 SUROGIHEQGJYFB-UHFFFAOYSA-N 324.428 2.876 0 50 DFAA COc1cccc(C)c1C(=O)NCCCN(C)C1CCCC1 824795587 INYFSGGVBALURJ-UHFFFAOYSA-N 304.434 2.998 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)[C@H]2CCCCCN2C)cc1 821810321 ZIAYBQRZQUDJPP-MRXNPFEDSA-N 317.433 2.638 0 50 DFAA C[C@@H](Cc1cccs1)NC(=O)CCCN1CCCCC1=O 821466697 GOWRVNYIFJZWNE-ZDUSSCGKSA-N 308.447 2.588 0 50 DFAA c1coc(CN2CCC(NCc3cncn3C3CC3)CC2)c1 584890766 NTQPYIILSSRBSY-UHFFFAOYSA-N 300.406 2.565 0 50 DFAA CCOC[C@@H]1CCN(C(=O)c2scnc2C(F)(F)F)C1 408517728 NICPKJXMXJHFGM-MRVPVSSYSA-N 308.325 2.661 0 50 DFAA CCOC[C@H]1CCN(C(=O)c2cccc3c2C(=O)OC3(C)C)C1 408517323 GTJOXFYWENNEFZ-LBPRGKRZSA-N 317.385 2.591 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C1 269185115 MMJICTXAQCUZBS-GFCCVEGCSA-N 307.415 2.883 0 50 DFAA Cc1ccc([C@H]2CCCCCN2C(=O)c2nccnc2N)o1 169991502 QIKAGPPRGPISBD-GFCCVEGCSA-N 300.362 2.718 0 50 DFAA CC(C)(C)c1ccc([C@H](O)CNc2nccn3cnnc23)cc1 170003699 XBAOFWDVCFMBLF-CQSZACIVSA-N 311.389 2.567 0 50 DFAA Cc1ccccc1CNC(=O)C(=O)Nc1nc(C2CC2)cs1 170618523 AXNBZGXTJFCVQK-UHFFFAOYSA-N 315.398 2.584 0 50 DFAA C[C@@H]1CN(CCCCc2ccccc2)C[C@@H]1N1CCOCC1 187141198 ROJNVHIYULXJOP-MJGOQNOKSA-N 302.462 2.662 0 50 DFAA C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1nnnn1C 189735196 ZQKISCCDCMZJFE-SFYZADRCSA-N 300.193 2.929 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nccn2-c2ccccc2)C1 643772627 LBBYPOMLMRPQRO-CVEARBPZSA-N 323.400 2.557 0 50 DFAA CN(CCN1CCSC[C@H]1c1cnn(C)c1)c1ccccc1 191218944 AJTBRGUTVOGIKY-KRWDZBQOSA-N 316.474 2.646 0 50 DFAA O[C@H](Cn1nc(C(F)(F)F)c2cnccc21)CC(F)(F)F 193005625 RINRFRIAUGADAZ-LURJTMIESA-N 313.201 2.763 0 50 DFAA Cc1noc([C@@H]2CCCN(C(=O)N3CCc4ccccc43)C2)n1 195135941 ZYIUFUGOCFGBCX-CQSZACIVSA-N 312.373 2.740 0 50 DFAA Cc1nc(CN2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)co1 1615551976 RQRDCMIKTLIWBN-BBRMVZONSA-N 306.793 2.844 0 50 DFAA Cc1cccc([C@H](O)CNCc2cc3ccccc3n(C)c2=O)c1 1661881904 JIXCFMQWHPGPSO-LJQANCHMSA-N 322.408 2.670 0 50 DFAA COc1ccccc1OCC(O)COc1ccccc1OC 1726621 SSNCGCIXFDVLFP-UHFFFAOYSA-N 304.342 2.523 0 50 DFAA biogenic,in-vitro Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)N(C)C 375781 JBQYUENBTAYOTN-MDZDMXLPSA-N 315.398 2.805 0 50 DFAA O=C(CCOc1ccccc1)N1CCC[C@]2(CCC[C@H]2O)C1 1704344164 OOPDPEUZJNHNPV-SJLPKXTDSA-N 303.402 2.609 0 50 DFAA O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C2(O)CC2)C1 1772806664 HUCRVNNXKIQWKD-HNNXBMFYSA-N 312.413 2.864 0 50 DFAA Cc1cccn2ncc(C(=O)N(CC3CC3)C[C@H]3CCCO3)c12 1772705983 FPEPVGMWZKCHPK-OAHLLOKOSA-N 313.401 2.674 0 50 DFAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccncc1 12386361 WIJLUDPFHVINNR-CYBMUJFWSA-N 319.368 2.733 0 50 DFAA COc1cc(F)c(C(=O)N[C@H]2CCCCCC[C@@H]2O)c(F)c1 1857673594 PFXSAJJCLCZLPL-KBPBESRZSA-N 313.344 2.787 0 50 DFAA C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 225414339 FOIRLJVZPCQAGR-JDFRZJQESA-N 319.376 2.731 0 50 DFAA O=C(C1CC1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 225502670 RQYMZDGZIFNQBN-SECBINFHSA-N 303.284 2.638 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccoc2C)c1 331570806 KHEYCYKQYXHANS-XJKSGUPXSA-N 301.342 2.545 0 50 DFAA Cc1cc(CN(C)C(=O)Cc2cccc(C(F)(F)F)n2)no1 930086254 GLBRTSANEFKJDB-UHFFFAOYSA-N 313.279 2.598 0 50 DFAA Cc1nnc(O)c(CNC(=O)[C@H]2CC=Cc3ccccc32)c1C 1875289007 PBSRNXCIUNYOTR-HNNXBMFYSA-N 309.369 2.616 0 50 DFAA CCOCCOCC[S@@](=O)C12CC3CC(CC(C3)C1)C2 1875272221 FGDAKNZYAANBJQ-MZLKUKENSA-N 300.464 2.757 0 50 DFAA CC(=O)Nc1ccc(NC(=O)CCCc2csc(C)n2)nc1 1875259329 KTUADRFAPRSMMC-UHFFFAOYSA-N 318.402 2.766 0 50 DFAA Cc1[nH]nc2c1C[C@@H](NC(=O)c1cc3sccc3[nH]1)CC2 1875307864 NVLCWYDYPYQAGK-VIFPVBQESA-N 300.387 2.548 0 50 DFAA CN(C)c1nccc2c1CCCN2C(=O)c1coc(C2CC2)n1 1775999840 YSUJLOTUTGXMLQ-UHFFFAOYSA-N 312.373 2.606 0 50 DFAA c1coc(CNc2nc(N3CCOCC3)nc3ccccc23)c1 72442 VVDLUEIXMOGRDT-UHFFFAOYSA-N 310.357 2.672 0 50 DFAA CCCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O 462783 YMODJNWWGPXFAY-UHFFFAOYSA-N 324.336 2.651 0 50 DFAA CCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 462859 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351243104 SXUZZZGRDOHYKL-UHFFFAOYSA-N 323.349 2.790 0 50 DFAA Cn1cc([C@@H]2CCCN2C[C@@H](O)c2cc(F)ccc2F)cn1 229558673 QRGNDNZCRVWUEW-JKSUJKDBSA-N 307.344 2.569 0 50 DFAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H](O)Cc1ccccc1 356148068 KUMSVKOJBSNBFX-LZQZEXGQSA-N 309.409 2.995 0 50 DFAA O=C(O)c1ccc(-c2noc(CN[C@@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 67834452 HOSRKJWGRSTMRI-ZLKJLUDKSA-N 313.357 2.713 0 50 DFAA C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H]1c1ccsc1 252463423 ONEPYOWGDNUTIU-AAEUAGOBSA-N 302.403 2.702 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cncs3)C[C@H]21 230110443 LQMNTMYFRPAUIR-MRVWCRGKSA-N 323.462 2.878 0 50 DFAA COCC1(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 329641410 ZTTLNRAIMSNZAX-ZDUSSCGKSA-N 323.458 2.725 0 50 DFAA Cn1c(CNc2ncnc3sccc23)nnc1C1CCC1 329648324 JIEIITMFXFLZBR-UHFFFAOYSA-N 300.391 2.699 0 50 DFAA O=C(CC[C@H]1CCCN(Cc2cccc(O)c2)C1)NC1CC1 12072755 MPOVXTFQXHMMGJ-CQSZACIVSA-N 302.418 2.663 0 50 DFAA Nc1ccnc(N[C@H]2CCCN(CCCc3ccccc3)C2)n1 72453493 DSRBLPWTBMHJGR-INIZCTEOSA-N 311.433 2.568 0 50 DFAA C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1 4108153 WKAKKENQVYZMLT-GFCCVEGCSA-N 316.382 2.613 0 50 DFAA CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O 77556096 YIFYOSPITOFBQP-CYBMUJFWSA-N 319.405 2.630 0 50 DFAA CC[C@H](O)CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 253417174 NPHVQZHBYSHOQP-COPLHBTASA-N 303.324 2.584 0 50 DFAA CC(C)CCS(=O)(=O)N1Cc2ccc(O)cc2C2(CC2)C1 360406431 GGQMKCMXTVQQGK-UHFFFAOYSA-N 309.431 2.615 0 50 DFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1F 12317583 ZAMCLWOWSHFKAA-CYBMUJFWSA-N 317.364 2.652 0 50 DFAA O=C(Nc1ccc2nc(S)oc2c1)C(F)(F)C1(O)CCC1 155673292 YUZJKAZHNFLSMJ-UHFFFAOYSA-N 314.313 2.605 0 50 DFAA COc1cc(C(=O)NCc2ccco2)ccc1Br 38537170 YVMYXOXEBXTIEM-UHFFFAOYSA-N 310.147 2.981 0 50 DFAA in-vitro CC[C@H]1CN(C(=O)C2CCC2)CCC(=O)N1Cc1ccccc1 71416405 JSPHATKBZJGZHR-KRWDZBQOSA-N 314.429 2.826 0 50 DFAA COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(CN)CC1 237252291 HMJUDAXLJSMHMJ-GORDUTHDSA-N 308.809 2.559 0 50 DFAA O=C(N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)O)c1ccco1 262860217 AIJQZIHVSMMXQA-DZGCQCFKSA-N 313.353 2.973 0 50 DFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1cccc(SC)c1 219877722 SQWBTRGWGRBOAL-YJNKXOJESA-N 322.430 2.580 0 50 DFAA COc1cc(CC(=O)N(C)c2nnc(C)s2)ccc1Cl 452158966 QHWLYEMMUARISA-UHFFFAOYSA-N 311.794 2.714 0 50 DFAA CN(C(=O)Nc1ccc(C2CCC2)cc1)[C@H]1C[C@@H](C(N)=O)C1 626540885 KEPTVLWYNHUPPG-OTVXOJSOSA-N 301.390 2.682 0 50 DFAA CC[C@H](Cn1ccnc1)NC(=O)c1c(C)oc2c1C(=O)CCC2 223084625 OECMDASKQBXDAJ-GFCCVEGCSA-N 315.373 2.512 0 50 DFAA CCc1cnc(CN(C)C(=O)[C@H]2Cc3ccccc3O2)s1 175872384 CWUSMAYZKHSIAY-CQSZACIVSA-N 302.399 2.668 0 50 DFAA O=C(O)c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 263560705 BQETVAPRTIQMAC-FUHWJXTLSA-N 314.429 2.834 0 50 DFAA O=C(CSc1ccncc1)N[C@H]1COC2(CCCCC2)C1 223577049 MODKJOLKAUOROJ-CYBMUJFWSA-N 306.431 2.782 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cccc(O)c2)C[C@H]1c1cccc(F)c1 91737957 PVRYXAPQPAILNU-DLBZAZTESA-N 315.344 2.832 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)[C@@H](C)c2cccnc2)n(C)n1 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2.744 0 50 DFAA Cc1nnc(NC(=O)N(C)Cc2cccc(CN(C)C)c2)s1 63856973 HMSVREFWMOYLMT-UHFFFAOYSA-N 319.434 2.572 0 50 DFAA CC(C)(C)c1cc(NC(=O)c2nccnc2N)n(C(C)(C)C)n1 171200979 VHRLBFNEGVQZOF-UHFFFAOYSA-N 316.409 2.560 0 50 DFAA OC[C@@H](CNCc1ccc(Cl)c2cccnc12)[C@@H]1CCOC1 280259038 JPJTWCNGVKJAOA-ZIAGYGMSSA-N 320.820 2.623 0 50 DFAA C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]2CCCO2)C1 251990380 IYXAZCKNJUKCAD-BPQIPLTHSA-N 316.445 2.897 0 50 DFAA CN(C)c1ccc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)cc1 219092382 IZCNSYJYIKIJHW-UHFFFAOYSA-N 300.406 2.703 0 50 DFAA c1ccc(Oc2cccc(CN3CC(N4CCOCC4)C3)c2)cc1 216127604 QFZWQABHWOSDHZ-UHFFFAOYSA-N 324.424 2.995 0 50 DFAA Cn1c(-c2ccc(CS(C)(=O)=O)cn2)cc2ccccc21 215939767 KFDSYWBSWOOBHM-UHFFFAOYSA-N 300.383 2.785 0 50 DFAA OC1CCN(C2CCN(C/C=C/c3ccc(F)cc3)CC2)CC1 72410444 OXKVCLGMARFJIF-OWOJBTEDSA-N 318.436 2.760 0 50 DFAA C[C@@H]1CN(Cc2nc(CC(F)(F)F)no2)c2ccccc2O1 332017859 GVBFWCJOSDFIGI-SECBINFHSA-N 313.279 2.962 0 50 DFAA Cc1c(C(=O)O)sc2ncnc(NCc3ccccn3)c12 70442293 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2.590 0 50 DFAA Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C)n[nH]3)[C@H](C)CO2)c1 172729219 HIGLKXRFDRQXNF-RHSMWYFYSA-N 313.401 2.937 0 50 DFAA CCN(Cc1cc(OC)ccc1-n1cccn1)C[C@@H]1CCCO1 220370079 WCDLSRXYFHLCLZ-KRWDZBQOSA-N 315.417 2.882 0 50 DFAA CC[C@@H](NC(=O)C1(c2ccc(C)cc2)CC1)c1ncnn1CC 220278370 KEYOTZJXCQZSBO-OAHLLOKOSA-N 312.417 2.906 0 50 DFAA Cc1cccc2nc(CN(C)C(=O)c3ccn(C(F)F)n3)[nH]c12 220520108 QBGWMURVVHDHCC-UHFFFAOYSA-N 319.315 2.735 0 50 DFAA NCc1nnc(SCC[C@H]2CC2(F)F)n1Cc1ccccc1 426612456 CDLXKCMNSOVYPT-LBPRGKRZSA-N 324.400 2.923 0 50 DFAA C[C@H](NC(=O)c1csc(CN)n1)C(C)(C)c1ccccc1 178489900 XSBRJYOYXPQPPT-NSHDSACASA-N 303.431 2.698 0 50 DFAA COc1ccc(Cn2ncnc2-c2cc(C(F)(F)F)n[nH]2)cc1 97117511 WOKJUJDFHNNJTE-UHFFFAOYSA-N 323.278 2.744 0 50 DFAA CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](C)[C@@H]2CCO)CCO1 618018610 KJPAHYHMWSNIFD-NCOADZHNSA-N 311.466 2.837 0 50 DFAA Cc1nc(C)c(C)c(NC[C@@H](O)COc2ccc(Cl)cc2)n1 92106999 YYWQIZCCTJYBTE-CQSZACIVSA-N 321.808 2.907 0 50 DFAA 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VWQRCQZFYHAYCR-UHFFFAOYSA-N 311.385 2.844 0 50 DFAA Cc1[nH]nc(CN2CCC(c3ccnc(O)c3)CC2)c1Cl 1772803958 BIOWYMJZZHAQBE-UHFFFAOYSA-N 306.797 2.852 0 50 DFAA CC[C@@H]1CN(Cc2[nH]cnc2C)Cc2cc(OC)ccc2O1 12244818 HUUYLRXQUZNLGB-CQSZACIVSA-N 301.390 2.900 0 50 DFAA CNCC[C@@H]1CCC(=O)N1Cc1ccc(C(F)(F)F)cc1F 14988245 JWZURASKBZGNOP-LBPRGKRZSA-N 318.314 2.945 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 18180611 MVSCHMLRFDSBCT-KBPBESRZSA-N 304.777 2.882 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](N3CCc4ccccc4C3)C2=O)cc1 19210601 FIUDVMWYIRUWDG-SFHVURJKSA-N 320.392 2.685 0 50 DFAA CN(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 19732996 LKIFJNJBDORNCI-UHFFFAOYSA-N 323.440 2.711 0 50 DFAA Cc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)Nc2ccccc21 19899732 LQUFCEDIAFHNSQ-LJQANCHMSA-N 303.365 2.818 0 50 DFAA biogenic COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 19942873 FJTNFMCISJJOHE-VXGBXAGGSA-N 311.447 2.979 0 50 DFAA O=C(c1ccc(Cl)s1)N1CCC[C@@H](c2nnc(O)o2)C1 407996067 KNRSENAKRAOOGT-SSDOTTSWSA-N 313.766 2.510 0 50 DFAA COc1ncccc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1 225478494 FIVCBMFGOWNITJ-OAHLLOKOSA-N 311.385 2.807 0 50 DFAA O=C(c1coc(Br)c1)N1CCC[C@@H]1c1ncc[nH]1 241144866 JTTFVZLRZIZBDD-SECBINFHSA-N 310.151 2.743 0 50 DFAA CN(C)C1CCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 253421610 YTDQOKSKGUCGTM-UHFFFAOYSA-N 316.232 2.742 0 50 DFAA COC1(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)CCOCC1 375219707 SEZJOKDWMZZGCW-MRXNPFEDSA-N 303.402 2.507 0 50 DFAA C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COC1CCCCC1 162364544 DDVBLEWWIQQCOF-GFCCVEGCSA-N 302.374 2.710 0 50 DFAA C[C@H](CN(C)C)[C@H]1CCCCN1C(=O)c1ccc(O)c(F)c1 863947644 QJNQBIRHKGOVNV-IUODEOHRSA-N 308.397 2.724 0 50 DFAA NCc1ccc(CC(=O)NCc2coc(-c3ccccc3)n2)cc1 1875340841 UZLDRUOSBFCHQY-UHFFFAOYSA-N 321.380 2.659 0 50 DFAA CC1=CC[C@H](C(=O)N2CCC[C@H](c3ocnc3C(=O)O)C2)CC1 1875315744 GEOGTDSJWMVWRY-STQMWFEESA-N 318.373 2.825 0 50 DFAA Cn1cc(-c2ccc3[nH]c4c(c3c2)-c2nc(=N)[nH]cc2CC4)cn1 1875375566 DYAFJLRLMLTUOD-UHFFFAOYSA-N 316.368 2.537 0 50 DFAA C[C@@H](CC(=O)Nc1n[nH]c2c1COCC2)Cc1cccc(F)c1 2325762174 LLCGLQKYVBYANB-LLVKDONJSA-N 317.364 2.829 0 50 DFAA CNC(=O)Nc1ccc(CN=c2[nH]nc(C(C)(C)C)s2)cc1 2325792742 KDOKPJNZISDMGX-UHFFFAOYSA-N 319.434 2.621 0 50 DFAA CC[C@@H]1[C@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 214500394 RLAKWLFUMAABBE-RWEYRTKBSA-N 324.424 2.911 0 50 DFAA biogenic O=C(O)c1cnn(-c2cccc(Cl)c2)c1Br 169314 YZDNJDMTSOAWQE-UHFFFAOYSA-N 301.527 2.986 0 50 DFAA COc1ccc2nc(SCC(=O)Nc3nccs3)[nH]c2c1 274416 PBXSTQUDCKKOBF-UHFFFAOYSA-N 320.399 2.759 0 50 DFAA COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2OC)cc1 514389 GAOBEFHHSAMUJQ-ZDUSSCGKSA-N 315.369 2.788 0 50 DFAA S=C(NC[C@@H]1CCCO1)c1ccc(Br)cc1 1443813 QESDPCWVJNMVIK-NSHDSACASA-N 300.221 2.893 0 50 DFAA Cc1nc(N2CCC[C@H](OCc3cccnc3)C2)nc(C)c1C 2356135146 RCAAXCYJWKVJFB-KRWDZBQOSA-N 312.417 2.982 0 50 DFAA Cc1c(O[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2476030 PZGWUROEALRBFV-JTQLQIEISA-N 302.326 2.832 0 50 DFAA O=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl 3263462 ZZZDEKSRJRMEHB-UHFFFAOYSA-N 305.746 2.662 0 50 DFAA Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C1CC1 7536078 VILVRGLCCHVXDU-UHFFFAOYSA-N 308.432 2.849 0 50 DFAA C[C@H](O)CN1CCN(C/C=C/c2ccc(Cl)cc2)C[C@H]1C 245768406 RIDVETSYTOBSPB-RYIMYRPNSA-N 308.853 2.740 0 50 DFAA CCc1nccn1S(=O)(=O)c1cc(Cl)ccc1Cl 9061890 UFYBOAWACDROHI-UHFFFAOYSA-N 305.186 2.989 0 50 DFAA C[C@@H](NC(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1 100485740 RTXLDLSTARBNJS-GFCCVEGCSA-N 322.364 2.735 0 50 DFAA COCC(=O)Nc1ccccc1-c1nc(Cc2ccccc2)no1 22464245 LGUJIMVZKYCLCI-UHFFFAOYSA-N 323.352 2.912 0 50 DFAA COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H]1Cc2ccccc2O1 248256130 SLMVNACPBGAOIA-HDMKZQKVSA-N 309.365 2.671 0 50 DFAA CCn1cncc1CNc1ncc2c(n1)CCN2c1ccccc1 65432995 JIVSGWXBLFWFCJ-UHFFFAOYSA-N 320.400 2.999 0 50 DFAA CN(CC[C@H]1CCCCO1)c1nc(CCN)nc2ccccc12 65387834 DJRABFTUXHFPJE-CQSZACIVSA-N 314.433 2.526 0 50 DFAA OCC[C@@H]1CN(Cc2ccc(F)c(F)c2)CCN1C1CCCC1 20914023 RKZZSFGWNKZVGN-MRXNPFEDSA-N 324.415 2.776 0 50 DFAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 252477417 NJHDNXFNWKVROZ-ZQDZILKHSA-N 324.421 2.739 0 50 DFAA CCc1nc(NC(=O)CN(C)Cc2ccn(CC)c2)sc1C 252500482 SWOPXKQSNBDMFU-UHFFFAOYSA-N 320.462 2.906 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)no2)C1 12244152 HNDKDHCWUHXWQR-OAHLLOKOSA-N 300.358 2.516 0 50 DFAA Cc1cc2c(c(SCC(=O)Nc3ccccc3)n1)C(=O)OC2 1446032 HTBZFOKFWIMFAH-UHFFFAOYSA-N 314.366 2.791 0 50 DFAA Cc1cc(C(F)(F)F)nn1CC(=O)N1CCc2ccccc2C1 2737910 QIOOLWOTROVVOE-UHFFFAOYSA-N 323.318 2.795 0 50 DFAA Cn1cc(-c2nc(CN3CCO[C@@H]4CCCC[C@H]43)cs2)cn1 230257729 VQGNJTNSZIJXOC-HUUCEWRRSA-N 318.446 2.687 0 50 DFAA O=C(Cn1ncc2ccccc21)N1CCC[C@H]1c1ccccn1 214968341 DXUKCYWWSQXHKK-KRWDZBQOSA-N 306.369 2.795 0 50 DFAA C[C@@H]1SCCN(C(=O)C[C@H](N)C2CC2)[C@H]1c1ccccc1 328593463 YGSKOZWFBPDHCZ-YLQAJVPDSA-N 304.459 2.819 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cc(C)n(C)n1 328618358 DRCKUBIGPWVPAD-GFCCVEGCSA-N 318.446 2.686 0 50 DFAA CC1(C)Cc2cccc(CNc3ccc(OCCO)nc3)c2O1 158242903 FGPAPUQSPBSOSJ-UHFFFAOYSA-N 314.385 2.778 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)c2ncc(C(N)=O)cc2Cl)C12CCC2 154888866 GUCBOVYLRZWSSJ-CHWSQXEVSA-N 323.824 2.618 0 50 DFAA CCn1c(C)ccc(C(=O)NC2(Cc3ccccc3C)CC2)c1=O 215708074 KRENVKJLZFEUFI-UHFFFAOYSA-N 324.424 2.990 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCN(Cc2ccncc2)CC1 13324745 NGQHYNRMLOWWQN-UHFFFAOYSA-N 314.364 2.570 0 50 DFAA Cc1cccnc1N1CCN(Cc2cc(C(C)C)no2)CC1 71415694 UHFQZICBZPPVHB-UHFFFAOYSA-N 300.406 2.824 0 50 DFAA Cc1cccc2c(CCC(=O)N3CC(F)(F)C[C@@H]3CO)c[nH]c12 372557960 QIMPJVUFROMRIE-CYBMUJFWSA-N 322.355 2.637 0 50 DFAA c1ncn(C2CCCCC2)c1CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 72167583 PUJMSXHFGCKUII-FZDBZEDMSA-N 301.434 2.998 0 50 DFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](N)C1 157902928 VTJLVZHMNMMLIT-BXUZGUMPSA-N 314.351 2.834 0 50 DFAA COCc1ncsc1C(=O)NC[C@@H](C)c1ccc(F)cc1 283963279 OAOCBAHBBSWFGS-SNVBAGLBSA-N 308.378 2.962 0 50 DFAA O=C(CCc1cn[nH]c1)N[C@H]1COc2ccc3ccccc3c2C1 606444999 ZRFASVWNKRSZLQ-OAHLLOKOSA-N 321.380 2.615 0 50 DFAA Cc1noc(C)c1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 82120628 GIAVLDBDGZZRHV-OAHLLOKOSA-N 315.373 2.508 0 50 DFAA Nc1nc(CCCNC(=O)c2cc(Cl)ccc2F)cs1 220319229 XEHKXBWDWUOTDN-UHFFFAOYSA-N 313.785 2.880 0 50 DFAA CN(C(=O)c1ccn2cnnc2c1)[C@H]1CCCc2ccccc21 97637890 WSLPEQNKGMRDRX-INIZCTEOSA-N 306.369 2.879 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 178968858 OKYAZZBGRSTUFW-AWEZNQCLSA-N 311.385 2.555 0 50 DFAA CN1CCC[C@@H]1CCNC(=O)N1CC=C(c2ccccc2)CC1 426442887 JNAQTXBOVMZSBQ-GOSISDBHSA-N 313.445 2.970 0 50 DFAA CC(=O)Nc1nc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cs1 618054429 SVWSNWOSSWXHBA-TVQRCGJNSA-N 315.398 2.560 0 50 DFAA CC(C)Cc1nsc(NC2CCN(C[C@@H]3CCOC3)CC2)n1 239761271 CJKLDLPSKXIGSE-ZDUSSCGKSA-N 324.494 2.649 0 50 DFAA CCC(=O)Nc1ccc(C)c(NC(=O)NCC2(C)COC2)c1 96148906 FOSBIYFNAGJBMA-UHFFFAOYSA-N 305.378 2.502 0 50 DFAA Cc1cc2cc(C(=O)NCCc3nnc(C)s3)ccc2o1 91574875 RDDRWGZOSPPUEN-UHFFFAOYSA-N 301.371 2.874 0 50 DFAA Cc1n[nH]c(C2CCN(C(=O)CC3Cc4ccccc4C3)CC2)n1 243893161 AORIWABMMURXMI-UHFFFAOYSA-N 324.428 2.624 0 50 DFAA C[C@]12C[C@H](O)[C@@H]3[C@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 247656162 PIXFHVWJOVNKQK-LLQQXDDGSA-N 306.446 2.930 0 50 DFAA Cc1ccccc1-n1nccc1NC(=O)N(C)C[C@@H]1CCOC1 182365941 OYKSHBPWXILSHN-AWEZNQCLSA-N 314.389 2.681 0 50 DFAA CCc1ccc(C(C)(C)CN[C@@H]2CCCS(=O)(=O)C2)cc1 183085810 ZSONZULSCWQYKR-MRXNPFEDSA-N 309.475 2.693 0 50 DFAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 257357486 OGTAAAIBHKSLGA-GQJRUFTLSA-N 306.446 2.930 0 50 DFAA CCC[C@@H]1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CCO1 184524227 PKUDUCLSOADKIU-CQSZACIVSA-N 321.425 2.816 0 50 DFAA CCC[C@@H](NC(=O)CSc1ccncc1)c1nccn1C 299758819 PXJOSLCFASEKEY-CYBMUJFWSA-N 304.419 2.565 0 50 DFAA CCSc1ccccc1NC(=O)[C@@H]1CCN(CCOC)C1 952872386 NKONPCOKHZAQIS-CYBMUJFWSA-N 308.447 2.705 0 50 DFAA COc1cccc(CN2CC[C@](O)(C3CC3)[C@@H](C)C2)c1OC 1565512250 AXUIOAJHIOYTQR-SCLBCKFNSA-N 305.418 2.687 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2cnn(CC)c2)CC1 408474401 VEWVBJSENPEOAA-SJORKVTESA-N 319.449 2.814 0 50 DFAA COc1ccc(Cn2cc(I)cn2)cc1 79903869 ZXNZREKRXQRZNP-UHFFFAOYSA-N 314.126 2.545 0 50 DFAA in-vitro O=C(O)Cc1cccc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1 630145123 WYOXMKOESGSTIP-CGTJXYLNSA-N 307.349 2.838 0 50 DFAA O=C(O)c1csc(NC(=O)c2ccnn2CC2CCC2)c1 630163533 XJDMGORRLRZBQW-UHFFFAOYSA-N 305.359 2.695 0 50 DFAA CCn1nccc1S(=O)(=O)N[C@H](C)c1cc(C)sc1C 274501882 SGUJJNQCZUNBSA-SNVBAGLBSA-N 313.448 2.621 0 50 DFAA COc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)nn1C 274793544 YZCWYPNFYSSUAC-INIZCTEOSA-N 317.364 2.757 0 50 DFAA Cc1ccnc(-c2ccc(NC(=O)CC(C)(C)C(=O)O)cc2)n1 169987644 FRRKPBQSWWCEQR-UHFFFAOYSA-N 313.357 2.891 0 50 DFAA COCCC1(C(=O)Nc2nc3c(s2)COCC3)CCCC1 170665074 PQJXNWYYUVYMQX-UHFFFAOYSA-N 310.419 2.751 0 50 DFAA CCN(C(=O)CN1CCC[C@H]1CN1CCCC1)c1ccccc1 170695150 DNUAFTNALXAWLG-SFHVURJKSA-N 315.461 2.600 0 50 DFAA CC[C@@H]1C(=O)N(CC)CCN1c1ccnc(C2CCCC2)n1 170601077 CZVTUABAGSOBRT-CQSZACIVSA-N 302.422 2.581 0 50 DFAA Cc1cnccc1CC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 188401535 VFTZRVPFQXPOAQ-CYBMUJFWSA-N 323.396 2.695 0 50 DFAA Cc1[nH]c2ncnc(N3CCO[C@@H](CC(F)(F)F)C3)c2c1C 664632050 OIHSLHMLIBVFOI-JTQLQIEISA-N 314.311 2.732 0 50 DFAA CO[C@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(C(=O)O)cc2)C1 668274007 RFJVPLJCQHROFR-HOCLYGCPSA-N 319.401 2.939 0 50 DFAA c1ccc(-c2nc([C@@H]3CCCN(Cc4c[nH]cn4)C3)n[nH]2)cc1 193386554 BYIOWGXZFNKPSU-CQSZACIVSA-N 308.389 2.574 0 50 DFAA CC[C@@H](O)c1cn(-c2c(F)cccc2Br)nn1 725264289 HAQAMXROJSCMHW-SNVBAGLBSA-N 300.131 2.612 0 50 DFAA C[C@](CO)(NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(O)cc1 585125971 JXJDVHJNAZBVNF-UYAYXHRUSA-N 303.402 2.542 0 50 DFAA COC1CCC(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 195560478 UAKMNDFQLVBIOI-SLTAFYQDSA-N 312.454 2.933 0 50 DFAA COc1ccc2c(c1NC(=O)N1CCOC[C@@H](C)C1)CCC2 792452774 NGPJQKHIMWDZRN-LBPRGKRZSA-N 304.390 2.684 0 50 DFAA CC1(C)C[C@@H](CNC(=O)Nc2ccnnc2)c2ccccc2O1 1615052044 UGICNTDREUBXNG-LBPRGKRZSA-N 312.373 2.943 0 50 DFAA CC(C)n1cc(Cl)c(NC(=O)[C@H]2CC23CCC(N)CC3)n1 1615546525 LRLOMRFVJUCSEA-LOIXOFCESA-N 310.829 2.964 0 50 DFAA COCc1nc(C)cc(NCCc2ncc(-c3ccccc3)[nH]2)n1 1651415559 BEJQCIAAHKNRGY-UHFFFAOYSA-N 323.400 2.976 0 50 DFAA COc1ccc2oc(CN[C@H](C)Cn3nc(C)cc3C)nc2c1 1506428439 QMINZJRYQAECFA-GFCCVEGCSA-N 314.389 2.828 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)Nc2c3c(nn2C)CSC3)c1C 1529158391 BJZAHUMPSUUWPD-UHFFFAOYSA-N 318.402 2.567 0 50 DFAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1ccc2cccc(F)c2n1 1772814946 VPIQOHRLONUZEV-HOCLYGCPSA-N 313.376 2.731 0 50 DFAA C=CC(=O)N1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 1772718364 WNEBPQIFDFOBOP-UHFFFAOYSA-N 319.714 2.588 0 50 DFAA COc1cc(C)ccc1OCc1nc(C(=O)NCC(C)C)co1 12760545 YTIPXVZQIXWFSG-UHFFFAOYSA-N 318.373 2.956 0 50 DFAA CNC(=O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 13716916 XHENAPRREGQTMD-UHFFFAOYSA-N 302.761 2.881 0 50 DFAA Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(N)=O 14042537 QCQINKNDISHDRW-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccco2)n2ncnc2N1 18204405 GXGWEZIYALIBDX-CYBMUJFWSA-N 302.334 2.503 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(Cl)cn1 1857680056 FYXZCWNHPWUMSA-JVLSTEMRSA-N 308.765 2.593 0 50 DFAA CN1CC[C@H](NC(=O)c2ccccn2)[C@@H]1c1ccc(F)c(F)c1 127362706 NTMIPLQKXNVBNM-HOCLYGCPSA-N 317.339 2.535 0 50 DFAA O=C(O)c1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)o1 237968542 WFOUHKUDRQDRHQ-GFCCVEGCSA-N 307.346 2.542 0 50 DFAA CCN(C(=O)c1ccc(-c2ccccn2)nc1)[C@H]1CCCNCC1 655456178 MBANMCSRKCCVMR-INIZCTEOSA-N 324.428 2.748 0 50 DFAA CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 16124298 FPJRJXFBGCSTSH-UHFFFAOYSA-N 305.399 2.906 0 50 DFAA in-vitro NC(=O)NCc1ccc(NC2CCN(c3ccccc3)CC2)cc1 152906003 VWTDOTWCBIJSAX-UHFFFAOYSA-N 324.428 2.936 0 50 DFAA O=C(NC1CCC(C(=O)O)CC1)c1cc(-c2ccccc2)on1 261767147 QNRSGCCWEHIFFN-UHFFFAOYSA-N 314.341 2.715 0 50 DFAA CCn1ncc(CN2CCC([C@H](O)c3ccccc3C)CC2)n1 839092738 VRTJLOKXFCWNHJ-SFHVURJKSA-N 314.433 2.552 0 50 DFAA COc1nccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)n1 822013371 ZQBBVAVZMBUNIV-AWEZNQCLSA-N 319.311 2.741 0 50 DFAA CCc1occc1C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1262630141 SAEUKNUSUZEDEZ-KRWDZBQOSA-N 322.368 2.748 0 50 DFAA CCc1nnc([C@H]2CCCN(Cc3ccc(CO)cc3)[C@H]2C)o1 952852817 UYKCDCLNFDCNPO-BBRMVZONSA-N 315.417 2.892 0 50 DFAA CC(C)n1ccc(=NC(=O)Nc2ccc(Cn3ccnc3)cc2)[nH]1 1875263968 CKXJNHBCFBBVBH-UHFFFAOYSA-N 324.388 2.775 0 50 DFAA CSCC1(CCNS(=O)(=O)C[C@@H]2CC[C@@H](F)C2)CC1 2325776392 HCGATEKZISWTQI-VXGBXAGGSA-N 309.472 2.577 0 50 DFAA Cc1[nH]nc2c1CC[C@@H](NCc1cccc(-c3cc[nH]n3)c1)C2 2325788510 LIJLLJDMCBALHI-OAHLLOKOSA-N 307.401 2.755 0 50 DFAA Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(Cl)cc1Cl 367671 JHQFTDFEMPCINI-VIFPVBQESA-N 324.229 2.759 0 50 DFAA O[C@H](COc1ccccc1Cl)Cn1nnc2ccccc21 458752 JVLAGIKKJONQTF-NSHDSACASA-N 303.749 2.525 0 50 DFAA Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 618355 ZZBGVFRBBIAOPT-UHFFFAOYSA-N 315.804 2.885 0 50 DFAA CCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1 621460 WQJKEHDVZWHTDT-UHFFFAOYSA-N 318.402 2.947 0 50 DFAA CC[C@@H](C(=O)NN1C(=O)c2ccccc2C1=O)c1ccccc1 1066702 HZQUTCJOCPXCOX-CYBMUJFWSA-N 308.337 2.508 0 50 DFAA Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1Cl 2812127 UXDNKTYDLJEVQB-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA CCCCOc1cnc(NS(=O)(=O)c2ccc(C)cc2)nc1 4526623 VUTLOGVSBZVXPK-UHFFFAOYSA-N 321.402 2.765 0 50 DFAA COc1cc(C(=O)NCc2ccccc2C)cc(OC)c1OC 6702491 JVPIFHSTMHCFMT-UHFFFAOYSA-N 315.369 2.951 0 50 DFAA CCCN1CCN(CC(=O)NCC(C)C)c2cc(F)ccc21 225666876 YVLKPCCTFSBXBS-UHFFFAOYSA-N 307.413 2.634 0 50 DFAA CC[C@@H](NC(=O)Nc1cccn(CC)c1=O)c1c(C)noc1C 417241887 SMQSKUHFFJXGGE-GFCCVEGCSA-N 318.377 2.746 0 50 DFAA COc1ccccc1NC(=O)c1c(O)c2ccccc2n(C)c1=O 100457256 ZZEDZJLZDINEES-UHFFFAOYSA-N 324.336 2.505 0 50 DFAA OCc1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1 343523704 UDQDHZHSDKPBDV-ROUUACIJSA-N 301.361 2.626 0 50 DFAA CCOc1ccc(CN(CCOC)C(=O)c2cccn2C)cc1 55370863 IASXOTUEYVEGHG-UHFFFAOYSA-N 316.401 2.713 0 50 DFAA Cc1ccc2nc(CNC(=O)CCc3scnc3C)cn2c1 65434430 AIMOOKSZOWSVQL-UHFFFAOYSA-N 314.414 2.657 0 50 DFAA O=C(CCn1nnc2ccccc21)N1CCC[C@@H]1c1ccccn1 67741333 GFMHIXIBLYRBBQ-MRXNPFEDSA-N 321.384 2.580 0 50 DFAA C[C@H](Cc1ccccn1)N(C)Cc1ccc(S(C)(=O)=O)cc1 65502542 UVZVFKBASYZUEN-CQSZACIVSA-N 318.442 2.548 0 50 DFAA C[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H](C)n1cccn1 229572018 LAKHBYZGBHYYKB-YVSFHVDLSA-N 318.465 2.603 0 50 DFAA CC1(C)Cc2cccc(NC(=O)CCn3ccccc3=O)c2O1 252499955 SJXKIESAYFVPPG-UHFFFAOYSA-N 312.369 2.591 0 50 DFAA CC(C)Cn1cncc1CN1CC[C@]2(CCCO2)CCC1=O 72141780 DMHSFWXRJOLDHM-KRWDZBQOSA-N 305.422 2.601 0 50 DFAA FC(F)c1noc(CN2CCC(F)(c3ccccn3)CC2)n1 425440284 DQBSMXKKDHODGB-UHFFFAOYSA-N 312.295 2.863 0 50 DFAA CC1(C)[C@H](NC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)[C@@H]2CCO[C@H]21 230088418 LWMZVJWMTZIHJA-FIDHJVLJSA-N 314.429 2.903 0 50 DFAA CC(=O)c1cc(CN2CCOc3ccc(CO)cc3C2)cs1 215653096 DUMSGYKZAJYKPI-UHFFFAOYSA-N 317.410 2.838 0 50 DFAA COc1ccc(CN2CCC(Cc3nc(C)no3)CC2)c(F)c1 215486442 PMOKQQMHLBYHJK-UHFFFAOYSA-N 319.380 2.980 0 50 DFAA CC(C)C[C@H](O)C1CCN(C(=O)CCc2ccncc2)CC1 77457395 SRPRIPPPHNEMAK-KRWDZBQOSA-N 304.434 2.660 0 50 DFAA O=C(NCCSc1ccc(Cl)cc1)N1CCCOCC1 253413390 KYCMSZALQGSZIX-UHFFFAOYSA-N 314.838 2.864 0 50 DFAA O=C(C[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 367532622 CGPZIQXQUSXGIV-TXJVSEOTSA-N 307.393 2.955 0 50 DFAA N[C@@H]1CCCN(C(=O)CCOc2cccc(Cl)c2Cl)C1 158438709 PRNQIBJELQYKMW-SNVBAGLBSA-N 317.216 2.712 0 50 DFAA CCc1cc(CN(C)Cc2cc3c(cc2OC)OCCO3)on1 215422548 BDBZSIHEEKQZIL-UHFFFAOYSA-N 318.373 2.649 0 50 DFAA O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@@H]1c1ncc[nH]1 241326097 LZGHQCFFQKLVRP-OAHLLOKOSA-N 312.348 2.936 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@]2(CCOC2)O1 241774074 RMXRNELFSVHTJO-PXAZEXFGSA-N 315.373 2.580 0 50 DFAA O=C(NCCC1(O)CCC1)NCc1cccc(C(F)(F)F)c1 241837546 SKYWVHRHOKPSEN-UHFFFAOYSA-N 316.323 2.810 0 50 DFAA O=C(C[C@@H](c1ccccc1)C(F)(F)F)N[C@H]1CC[C@@H](O)C1 241837510 SKTFIQSOENYLQI-XQQFMLRXSA-N 301.308 2.752 0 50 DFAA Cc1nc(C(C)(C)NC(=O)c2ccnc(C(=O)O)c2)sc1C 237599377 OXAXBOWTBKAFFI-UHFFFAOYSA-N 319.386 2.518 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(CN)cc2)C[C@H](c2ccsc2)O1 237524107 ACQZLHGRKSWAAV-BLLLJJGKSA-N 316.426 2.809 0 50 DFAA C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1CC1)C(=O)O 237611042 FYJOXYUIMNEHIP-OASPWFOLSA-N 323.339 2.780 0 50 DFAA C[C@H]1CCCN(C(=O)Cc2csc(-c3ccoc3)n2)[C@@H]1CN 237628352 CUCDREKJGUARHX-SMDDNHRTSA-N 319.430 2.531 0 50 DFAA CCn1ncnc1CN1CCC[C@H]1Cc1ccc(OC)cc1 373922214 KLOFOSZOWYQGCQ-HNNXBMFYSA-N 300.406 2.514 0 50 DFAA Cc1noc(C)c1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 340231196 QYZFJQJIDWWCIH-WBMJQRKESA-N 308.328 2.878 0 50 DFAA CN(C(=O)CCc1cncc(F)c1)c1nc2ccccc2n1C 130052236 GPRROYMCACUUBG-UHFFFAOYSA-N 312.348 2.703 0 50 DFAA O=C(NCC1(C(=O)O)CCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 130656567 SSZWOGQSVLLLLT-UWVGGRQHSA-N 307.312 2.726 0 50 DFAA Cc1cc(C)c(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 459111646 GKIHDIVHZQLNAA-AWEZNQCLSA-N 313.405 2.511 0 50 DFAA Cc1cnc([C@H](C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 177949057 SUESFYKKAVAHFK-JQWIXIFHSA-N 315.398 2.755 0 50 DFAA Cn1c(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cc2cccc(Cl)c21 222976907 XNKZSTWBTBAJBM-QKCSRTOESA-N 304.777 2.739 0 50 DFAA Cc1[nH]ccc1C(=O)N1CCCC[C@H]1c1n[nH]c(C(C)C)n1 289217925 XEAPMWZPDMTCTJ-ZDUSSCGKSA-N 301.394 2.932 0 50 DFAA CCN(CCn1cccn1)C(=O)c1conc1-c1ccccc1 426435249 BPKHGRHALJCJTI-UHFFFAOYSA-N 310.357 2.700 0 50 DFAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1onc2c1CCCC2 616197365 RCPZSVVCXYBAJE-UHFFFAOYSA-N 316.405 2.585 0 50 DFAA Cc1ccc(Cl)cc1N1CC[C@H](CNCc2cncn2C)C1 237547858 GTPKTTACHZZFKN-CQSZACIVSA-N 318.852 2.998 0 50 DFAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CC(N2CCCCC2)C1 97323883 ULONCHDREGVZGN-OAHLLOKOSA-N 316.445 2.764 0 50 DFAA CCc1ccccc1OC1CN(C(=O)c2cc(C)n(CC)n2)C1 91426061 NYFRSWWKVXEHAX-UHFFFAOYSA-N 313.401 2.677 0 50 DFAA CN1CCC2(CC1)CC(=O)N(Cc1ccccc1OC(F)F)C2 95505430 YEAIYGZFXHCUPL-UHFFFAOYSA-N 324.371 2.732 0 50 DFAA CCN1CCC(CC(=O)NCCCc2nc(C)c(C)s2)CC1 95529571 UKZUHMFUTOHDRB-UHFFFAOYSA-N 323.506 2.931 0 50 DFAA CCc1ccccc1CN1C[C@@H]2CC[C@H](C1)N(CCOC)C2 91664490 ASGQOIFGMMVSLQ-QFBILLFUSA-N 302.462 2.792 0 50 DFAA COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1Cl 239164963 NFPXDDVVTWHQGT-QYAIJTBZSA-N 321.760 2.810 0 50 DFAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 244795914 RPRJRPXZEKRCRG-YESZJQIVSA-N 315.413 2.659 0 50 DFAA CN1CCN(C2(CNc3ccc(Cl)cn3)CCCC2)CC1 534591390 SZNVITGAWGOJPE-UHFFFAOYSA-N 308.857 2.707 0 50 DFAA CCOC(=O)N1CC[C@@H](NCCc2nc3ccccc3s2)C1 534665550 HPVUNSDLAMYXLO-GFCCVEGCSA-N 319.430 2.659 0 50 DFAA Cc1nn(C)c(C)c1NC(=O)COc1cccc2c1ccn2C 888088392 UYJQLUNMUMLRLL-UHFFFAOYSA-N 312.373 2.546 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](N)C2)[C@H](C)CO1 269208393 FQYCKMKLQHHQMH-KONPQCLYSA-N 316.445 2.801 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)Nc2ccsc2)cn1 275979632 NEAHIWUTVXWMKX-QWHCGFSZSA-N 306.391 2.523 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc(-c2ccncc2)n[nH]1 277372997 VPWDRCGTNYJCNL-OCCSQVGLSA-N 300.362 2.615 0 50 DFAA Cn1cc([C@@H](NCc2cscn2)c2ccc(F)cc2)cn1 187518859 XNKJGRGZPMDLMT-HNNXBMFYSA-N 302.378 2.895 0 50 DFAA O[C@@H]1CCN(c2nc3c(F)cccc3cc2Br)C1 585092818 PDGIYYISLYCCGR-SECBINFHSA-N 311.154 2.707 0 50 DFAA CCc1ccccc1C(=O)N1CCSC[C@H]1c1cnn(C)c1 192213321 MAXIGYNBRGNSQM-INIZCTEOSA-N 315.442 2.913 0 50 DFAA CCS[C@H]1CCCCN(C(=O)C[C@H](C)N2CCCC2=O)C1 585132053 NKJQGWUXRZWFLO-KBPBESRZSA-N 312.479 2.522 0 50 DFAA CCC1(CC)CN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 647227935 OAKQODROVAFXIM-INIZCTEOSA-N 300.402 2.613 0 50 DFAA OCC[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 663660182 HIIKZLKEXDRGMT-AWEZNQCLSA-N 308.385 2.605 0 50 DFAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)no1 1529120187 WADDRFHCVXQNAD-DLBZAZTESA-N 312.369 2.975 0 50 DFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@@]1(C)CCN(C)C1 1529110786 OUQSNQJHYXITNR-SFHVURJKSA-N 312.417 2.676 0 50 DFAA O=C(/C=C/c1ccc(Br)cc1)NC[C@@H]1CCCO1 442542 GHSYBJRDWGMWFG-LJLILKBBSA-N 310.191 2.758 0 50 DFAA Brc1nc(Br)n(Cc2ccccc2)n1 1387030 YXSNCHAOAYRKCF-UHFFFAOYSA-N 316.984 2.851 0 50 DFAA in-vitro CC(C)N1C[C@@H](CN2CC(Oc3ccccc3F)C2)CCC1=O 1775980261 WRBVHBSNSZZZHM-CQSZACIVSA-N 320.408 2.536 0 50 DFAA COc1cccc(CN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c1 1772810684 OEFDEYHSFUSPGV-INIZCTEOSA-N 304.434 2.774 0 50 DFAA Nc1c(C(=O)NC2CCCCC2)nnn1-c1cccc(Cl)c1 11692970 NFLZNVLIYSCDCC-UHFFFAOYSA-N 319.796 2.565 0 50 DFAA CN1CCN(C(=O)[C@@H](c2ccccc2)C2CCCC2)CCC1=O 14878755 SKVXYNRZBDPEHN-SFHVURJKSA-N 314.429 2.651 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473762 UGQKXGAQBUGKBF-CZUORRHYSA-N 315.417 2.737 0 50 DFAA CO[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 221968892 YGTGNUDSKJTOEB-IIAWOOMASA-N 322.405 2.629 0 50 DFAA COc1ccc(F)cc1CC(=O)N1CCCCC[C@H]1CCO 356732799 AWICYGHRZSPHQT-HNNXBMFYSA-N 309.381 2.530 0 50 DFAA O=C(Nc1cccc(OCc2cccnc2)c1)[C@@H]1CCCNC1 164653070 OGERNWMSJKSCEM-OAHLLOKOSA-N 311.385 2.599 0 50 DFAA Cc1ccc([C@@H](C)NCc2ccncc2O[C@H]2CCNC2)cc1 864374080 XKZYUZYGIJJIGC-QAPCUYQASA-N 311.429 2.982 0 50 DFAA Cc1nonc1CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 873281261 YUPQNUVBGHLKJA-AWEZNQCLSA-N 300.362 2.671 0 50 DFAA C/C(=C/c1ccc(C)cc1)C(=O)N[C@@H](CO)Cc1nccs1 1875273709 IHWGRWCVYKVBMK-UZGISAJGSA-N 316.426 2.575 0 50 DFAA O=C(c1cc(-c2cc[nH]n2)ccc1F)N1Cc2ccncc2C1 1875338875 OUMGOERUZPPSLQ-UHFFFAOYSA-N 308.316 2.767 0 50 DFAA Cn1nc(C(=O)NC[C@H]2CC(C)(C)OC2(C)C)c2c1CCCC2 885834463 KCLJNMXLFVVXSC-GFCCVEGCSA-N 319.449 2.622 0 50 DFAA CCc1ncnc(NC[C@]2(c3ccccc3)C[C@H](O)C2)c1F 895595774 UDQOSRMZKPYTCD-WJYNOGRTSA-N 301.365 2.683 0 50 DFAA Cc1cc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc2n[nH]cc12 897272481 GXLLHOMXYGWVSJ-INIZCTEOSA-N 324.388 2.613 0 50 DFAA Cc1nc(N2CCC[C@H](n3cncn3)C2)ccc1Br 273370482 RPNRYCDKHHXQMJ-NSHDSACASA-N 322.210 2.586 0 50 DFAA CC(C)(C)c1cnc(CNc2cccc(Cn3cncn3)c2)[nH]1 2325773843 LXGJGWIPZRFGQB-UHFFFAOYSA-N 310.405 2.959 0 50 DFAA O=C1CN(C(=O)N2CCC[C@@H]2c2ccccc2)c2ncccc2N1 2325798249 ZLIPGTAPQJJSBV-OAHLLOKOSA-N 322.368 2.797 0 50 DFAA O=C(O)c1ccc2c(n1)CCN(C(=O)c1cccc(C3CC3)c1)C2 2325801510 LSCUUKSQIQMVPA-UHFFFAOYSA-N 322.364 2.856 0 50 DFAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCCO1 38081 XVMYFGAQNMMDHQ-CYBMUJFWSA-N 306.362 2.991 0 50 DFAA O=C(Cc1ccccc1)N1N=CC[C@@]1(O)c1ccc(Cl)cc1 276636 CFZPMDIYVFWNQZ-QGZVFWFLSA-N 314.772 2.946 0 50 DFAA CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 389204 LHRJPMFWQMBWQF-UHFFFAOYSA-N 307.353 2.598 0 50 DFAA O=C(Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 7504878 HRTZYBSWNCYMCS-UHFFFAOYSA-N 300.333 2.915 0 50 DFAA O=c1c2cc3c(nc2ncn1Cc1ccccc1F)CCCC3 8610539 PIRKKZPLVSLFEJ-UHFFFAOYSA-N 309.344 2.858 0 50 DFAA CC(=O)Nc1ccc2c(c1)nc(Cn1cccn1)n2CC(C)C 9355200 WRUAIPUNUJPWRE-UHFFFAOYSA-N 311.389 2.896 0 50 DFAA Cc1cc(I)ccc1N/C=C/[N+](=O)[O-] 100108091 PDVDCIPBLYPJMD-SNAWJCMRSA-N 304.087 2.759 0 50 DFAA CSc1ncccc1C(=O)N(Cc1cnn(C)c1)C(C)C 56025344 PPPRUGCOSWRISV-UHFFFAOYSA-N 304.419 2.588 0 50 DFAA Cc1ccc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)s1 20210912 QEIJCJOFZZTQRO-HNNXBMFYSA-N 310.507 2.971 0 50 DFAA CC(C)c1cc(-c2nn3c(-c4cccnc4)nnc3s2)[nH]n1 22504676 AEJCMZZPBJVBHG-UHFFFAOYSA-N 311.374 2.761 0 50 DFAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc2cc[nH]c2c1 123362102 CBQNONCNEPYESJ-PBHICJAKSA-N 316.426 2.952 0 50 DFAA C[C@@H](c1nccs1)N(C)C(=O)CCc1[nH]nc2c1CCCC2 67713857 IOCXWJCEGPAWHX-NSHDSACASA-N 318.446 2.897 0 50 DFAA COCC1(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)CCC1 65380365 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CC(=O)N1CCC([C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C2)CC1 952263838 VMPCZMXMXZWHAZ-MRXNPFEDSA-N 318.461 2.674 0 50 DFAA O=C(N[C@@H]1c2ccccc2CC1(F)F)[C@@H]1CC(C2CC2)=NO1 1875312173 VJVNHVPJMYZUQB-UONOGXRCSA-N 306.312 2.590 0 50 DFAA O=C(NC1(c2ncccn2)CCOCC1)c1cc2ccccc2o1 886934818 LPHBLPSGHXMQPQ-UHFFFAOYSA-N 323.352 2.659 0 50 DFAA C[C@]1(C(=O)O)CCCC[C@@H]1NC(=O)c1c(F)ccc2c1OCC2 2325807807 UFRMHNBRBFZXAY-SJCJKPOMSA-N 321.348 2.524 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(F)cc(F)c1O 935043102 JHYHTCYAUBXQKH-ZETCQYMHSA-N 310.300 2.809 0 50 DFAA CSCC[C@H](NC=O)C(=O)Nc1ccc2ccccc2c1 2597009 SJCDRWNGPZQCPN-HNNXBMFYSA-N 302.399 2.646 0 50 DFAA CC[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 2835288 YDURFHBADDBPGU-CQSZACIVSA-N 300.383 2.876 0 50 DFAA O=C(c1ccc(Cl)cc1)N(CCCO)Cc1ccccn1 280159066 UGAJTGWHJCKFPR-UHFFFAOYSA-N 304.777 2.760 0 50 DFAA Cc1ccccc1C[C@H](CO)NC(=O)[C@H]1CCCc2cccnc21 225526126 HJSATEPIBSPVAP-MSOLQXFVSA-N 324.424 2.530 0 50 DFAA CSc1ccc(NC(=O)N[C@H](CO)c2ccccc2)nc1 345211892 BJVFUSSQNXGWEV-CYBMUJFWSA-N 303.387 2.659 0 50 DFAA COc1ccc(CN[C@H](C)[C@H](O)c2ccccc2)c(OC)c1 20500681 LZEYMYLAFRLRBN-ACJLOTCBSA-N 301.386 2.916 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H]1CCO[C@H]1C 253369984 KUBBBFHZLUCQIE-KKUMJFAQSA-N 320.437 2.831 0 50 DFAA O=C(O)[C@@H]1CC[C@H]2CCCC[C@H]2N1C(=O)Cc1ccsc1 250154429 CCCCERQPHQNUTA-MCIONIFRSA-N 307.415 2.925 0 50 DFAA Cc1ccccc1[C@@H](NC(=O)Cc1nonc1C)c1ccncc1 67773786 OQLVYRQPTZVDKB-SFHVURJKSA-N 322.368 2.530 0 50 DFAA CCc1ccsc1C(=O)N(C)C[C@@H]1CCn2ccnc2C1 328636597 VOTXFPCEIIYVSG-GFCCVEGCSA-N 303.431 2.842 0 50 DFAA Cc1cc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)ccn1 120324459 LSXRJLAOVNMTAF-HNNXBMFYSA-N 302.422 2.730 0 50 DFAA O[C@@H]1CCN(Cc2ncccc2C(F)(F)F)C12CCCC2 353987154 NMGHDPIKPPGFHA-CYBMUJFWSA-N 300.324 2.980 0 50 DFAA CCc1csc(-n2cc(C(=O)N3C[C@H]4CCC[C@H]4C3)cn2)n1 328921339 TYPUYSFCXGMDIO-TXEJJXNPSA-N 316.430 2.763 0 50 DFAA COc1ccccc1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71283485 WNKSUOQGLFKNKR-NSHDSACASA-N 301.346 2.890 0 50 DFAA O[C@@H](COc1ccc(Oc2ccccc2)cc1)Cn1ccnn1 328595835 GDYYJGXHTIVBTD-CQSZACIVSA-N 311.341 2.510 0 50 DFAA COc1ccc(CNC(=O)c2ccc(Cl)c(F)c2)c(OC)n1 355596238 KUMUKBMKOFZMLM-UHFFFAOYSA-N 324.739 2.821 0 50 DFAA Cn1ccc2c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cccc21 217865124 YJZKFHQUUKJJPL-INIZCTEOSA-N 322.364 2.604 0 50 DFAA biogenic CC(C)[C@@H](C(=O)Nc1n[nH]c2cc(F)ccc12)c1cccnc1 437168925 YHLIXAFSZGWJEL-OAHLLOKOSA-N 312.348 3.475 0 50 DFAA CCCc1cc(NC[C@H](O)c2cccs2)n2nccc2n1 72474208 XONCCQNXFCLIJI-LBPRGKRZSA-N 302.403 2.889 0 50 DFAA Cc1nn(C)cc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 360951912 UPIJQSGSDHLPHF-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA COCCn1cncc1CN1CCO[C@@H](CC2CCCCC2)C1 71758894 KTQJRIOCHSLBHU-SFHVURJKSA-N 321.465 2.701 0 50 DFAA Cc1cscc1CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 365569190 WZOZIVMRFUSOHL-WOSRLPQWSA-N 324.446 2.534 0 50 DFAA C[C@@]1(O)CCCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 366243705 FIEDQRQPZNJREZ-GOSISDBHSA-N 300.402 2.864 0 50 DFAA Oc1nc(N2CC[C@@H](O)c3ccccc3C2)nc2ccccc12 371809364 OCVIMWYOXFLTHB-MRXNPFEDSA-N 307.353 2.779 0 50 DFAA C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c2c(O)cccc21 333189230 NRYADSRCTBFWRF-TUKIKUTGSA-N 311.385 2.770 0 50 DFAA COc1ccccc1/C=C/C(=O)N1CCCC[C@H]1CCC(=O)O 237083377 OMALIGULDNSKKR-GDXASINISA-N 317.385 2.954 0 50 DFAA Cc1ccc([C@H]2CN(C(=O)CCc3cnc[nH]3)CCO2)c(C)c1 373828478 IFHZAXPXXQVOFN-QGZVFWFLSA-N 313.401 2.559 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2coc(C)c2)c1 282454899 KGLNWIUDNCFGEP-ZBFHGGJFSA-N 301.342 2.545 0 50 DFAA Cc1c([C@H](C)NC(=O)NCCO[C@@H]2CCCC[C@H]2C)cnn1C 240244248 DLFQWTBUHFHBPU-DVOMOZLQSA-N 322.453 2.684 0 50 DFAA CNS(=O)(=O)c1cc(NCc2ccccc2OC)ccc1C 241590523 PFMSKDCZDNDRCD-UHFFFAOYSA-N 320.414 2.524 0 50 DFAA CC(C)n1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)n1 426531862 UVOZFKUELLVYJI-UHFFFAOYSA-N 320.462 2.730 0 50 DFAA COC(=O)C[C@@H]1CCN(C(=O)Nc2ccccc2SC)C1 95519859 JYTBHKYZTMXZFU-NSHDSACASA-N 308.403 2.825 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NCCCn3ccnn3)[nH]c12 91526439 SESMTCIBGLYCHI-UHFFFAOYSA-N 311.389 2.505 0 50 DFAA CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C)c2nc[nH]n2)cc1 179293483 OUPMFNQRGZLFBY-STQMWFEESA-N 300.406 2.984 0 50 DFAA CC[C@H](c1cccnc1)N(C)C(=O)c1cnc(NC(C)C)nc1 97360220 RLPWGVAVDWIBII-OAHLLOKOSA-N 313.405 2.915 0 50 DFAA O[C@@H](c1ccccc1)c1cc(Cl)ccc1OCC1=NCCN1 96027992 CKELOKKJOSJNSA-KRWDZBQOSA-N 316.788 2.802 0 50 DFAA c1cnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)nc1 91391516 VDEQOYYPGZCQDN-INIZCTEOSA-N 320.400 2.500 0 50 DFAA Cc1ccc2c(c1)SCC(=O)N2Cc1nnc(C2CC2)o1 95354410 UCRAZOAUUMYMOO-UHFFFAOYSA-N 301.371 2.894 0 50 DFAA O=C(Cc1ccsc1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244647008 GTIJAFQWEZFUFO-TYNCELHUSA-N 307.440 2.981 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 245242181 HVBDSDIVULQAPX-VMOOEMLUSA-N 305.761 2.785 0 50 DFAA O=C(c1ncccc1C(F)(F)F)N1CC[C@@H](O)C12CCCC2 297652448 CATIFNFQNIYSIP-LLVKDONJSA-N 314.307 2.620 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1CCC2=O 257357681 PIXFHVWJOVNKQK-VMOKEFFKSA-N 306.446 2.930 0 50 DFAA Cc1n[nH]c(C)c1CNC(=O)Nc1cc2[nH]cnc2c(C)c1C 299787619 OJMVPGBNYVXEBR-UHFFFAOYSA-N 312.377 2.841 0 50 DFAA CCn1cnnc1[C@@H](C)NC(=O)c1ccc(Cn2cccc2)cc1 823592641 YXDOBRXTJIMSBF-CQSZACIVSA-N 323.400 2.639 0 50 DFAA CCSCc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(C)C3)cc1 585134220 ISHWIAZSOSYVRZ-HOTGVXAUSA-N 304.459 2.858 0 50 DFAA O=C(Cc1cccnc1)Nc1ccccc1OC[C@H]1CCCO1 828075359 MLNWXKDJXMRWJD-OAHLLOKOSA-N 312.369 2.821 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCNC2=O)C1 95740467 WQXGOSCVIDAUDS-RDTXWAMCSA-N 316.401 2.527 0 50 DFAA in-vitro COc1ncccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 165801273 VTWDUGKJJGRKOR-CQSZACIVSA-N 317.345 2.597 0 50 DFAA CN(Cc1ccccn1)[C@@H]1CCCN(Cc2ccn(C)c2)CC1 275812245 UFRKBOBDHBGQLF-LJQANCHMSA-N 312.461 2.907 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 170621693 HGZCAYAGVJKBSV-YMVOSSCXSA-N 319.493 2.938 0 50 DFAA Cc1nocc1CSCC(=O)NCc1cc(F)cc(F)c1 596383954 ZCYVEHWFQFVXAJ-UHFFFAOYSA-N 312.341 2.811 0 50 DFAA CCC1(CC)[C@H](NC(=O)c2cn3ccnc3s2)C[C@H]1OC 188526812 AWMDBWNCJNHBQH-VXGBXAGGSA-N 307.419 2.719 0 50 DFAA O=C(N[C@@H]1CCCc2c[nH]nc21)c1ccnc(C(F)(F)F)c1 585084491 YMEZPZOUDUJILM-SNVBAGLBSA-N 310.279 2.631 0 50 DFAA CN(CCN1CCSC[C@@H]1c1cnn(C)c1)c1ccccc1 191218962 AJTBRGUTVOGIKY-QGZVFWFLSA-N 316.474 2.646 0 50 DFAA CCc1cc(N2CCO[C@@H](C(C)C)C2)nc(-c2ccncc2)n1 679194308 SSWCOBQNWYYHPX-MRXNPFEDSA-N 312.417 2.962 0 50 DFAA CN(Cc1ccnc(N)c1)C[C@@H]1CCN(Cc2ccccc2)C1 191520142 WLFSPDHUFLRYIV-SFHVURJKSA-N 310.445 2.618 0 50 DFAA Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccoc2Cl)cn1 192437963 YSKNRPREAQVARZ-NSHDSACASA-N 321.764 2.544 0 50 DFAA CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 12379767 QBKQQQSDCGPYHM-UHFFFAOYSA-N 322.361 2.726 0 50 DFAA C[C@@H](NC(=O)c1c(O)c2ccccc2[nH]c1=O)c1ccccc1 13123367 KJJFRYZWFLLCMV-LLVKDONJSA-N 308.337 2.725 0 50 DFAA Cc1ccc(S(=O)(=O)N(C)c2c(F)cccc2C(=O)O)cc1 16622753 ICVHWQJWRQUSHS-UHFFFAOYSA-N 323.345 2.657 0 50 DFAA CCN1CCN(Cc2c(C)nc3ccc(F)cc3c2O)CC1 19793210 NCQIVNULMSWABO-UHFFFAOYSA-N 303.381 2.525 0 50 DFAA Cc1cc(C(=O)NC2CCN(c3ncccc3F)CC2)c(C)o1 301534253 ADLJMNFOAKAODD-UHFFFAOYSA-N 317.364 2.829 0 50 DFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 408474874 WFVKJHGKSONPQL-CABCVRRESA-N 305.422 2.567 0 50 DFAA CCc1cc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)n[nH]1 113721575 VILHALFLZVHAAD-UHFFFAOYSA-N 314.345 2.630 0 50 DFAA CCOc1ccc(NC(=O)[C@@H](C)Sc2nccn2C)cc1 4843032 UWOWAJUQYXVHCE-LLVKDONJSA-N 305.403 2.938 0 50 DFAA NC(=O)c1ccc(-c2noc(C3CCC(F)(F)CC3)n2)cn1 328593851 ROMGUHPGTHIRPL-UHFFFAOYSA-N 308.288 2.523 0 50 DFAA CC(C)(CCCO)CNS(=O)(=O)c1cccc2ccoc12 451377370 NGADQMASYZQDSP-UHFFFAOYSA-N 311.403 2.510 0 50 DFAA COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)CC2CCCCC2)O1 239672565 BTXCEDNMLBFNQB-XZDPQHSOSA-N 323.433 2.667 0 50 DFAA Cc1nn(C)c(NC(=O)CSC[C@@H]2CCCCO2)c1Cl 585125542 WUPFBXCVYWILCD-JTQLQIEISA-N 317.842 2.623 0 50 DFAA C[C@@]1(O)CCOC2(CCN(CCOCc3ccccc3)CC2)C1 1704303410 IXWDQHZMJYEAOF-GOSISDBHSA-N 319.445 2.599 0 50 DFAA C[C@]1(C(=O)NCCc2ccc(O)cc2)CCOc2ccccc21 934935859 MWRDQLPYTFHDKU-IBGZPJMESA-N 311.381 2.791 0 50 DFAA Cc1cccc(C(=O)NCCN[C@H](C2CCC2)[C@H]2CCOC2)c1 864097435 VUIKWWUDROBGAW-ZWKOTPCHSA-N 316.445 2.520 0 50 DFAA Cc1ccc(CN2C[C@@H](N)[C@H](c3cccc(F)c3)C2)cc1O 1875283226 KAIIEYQPKDAQSZ-DLBZAZTESA-N 300.377 2.766 0 50 DFAA COc1ccc(/C=C(\C)S(=O)(=O)N2CCC=C(F)C2)cc1 1875289878 WBVJPCNLIQHZTB-ZRDIBKRKSA-N 311.378 2.945 0 50 DFAA c1ccc(-c2ncn(C3COC3)c2-c2cnn3c2CCC3)cc1 1875269136 IAUUFBVRZCAVRM-UHFFFAOYSA-N 306.369 2.931 0 50 DFAA O[C@](Cn1ccnc1)(c1ccc(Br)cc1)C(F)F 1875275591 ADTLEPQBMQFJDJ-GFCCVEGCSA-N 317.133 2.799 0 50 DFAA CC[C@@](C)(CCO)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 272479931 MYWUUMINTVRBIC-HKUYNNGSSA-N 318.461 2.566 0 50 DFAA C[C@@]1(CO)C[C@H](O)CN1Cc1cccc2cc(Cl)ccc12 2325793769 HHJVTOUOXKCMNA-RDJZCZTQSA-N 305.805 2.811 0 50 DFAA Cc1cccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)c1 95931 SFFMUNLAAOJUQE-KRWDZBQOSA-N 310.378 2.880 0 50 DFAA O=C(Nc1nnc(-c2cccnc2)s1)c1ccccc1F 302745 JOMZJESQGIUPLK-UHFFFAOYSA-N 300.318 2.992 0 50 DFAA 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YJBJRUZVKBTCNS-NSHDSACASA-N 310.353 2.701 0 50 DFAA Cc1noc(C2CC2)c1C(=O)NC[C@H](C)CN1CCCCC1 131321652 SUZGAGNLXDLRCN-LBPRGKRZSA-N 305.422 2.712 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CC=CCC2)cc(C)c1OCC(=O)O 237772488 KOJJDJRPWUPPCB-CQSZACIVSA-N 303.358 2.605 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccc(C)o2)c1 282633210 WRRXYNNDEOJGCQ-DZGCQCFKSA-N 301.342 2.545 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 282606247 RDVNHASZNTWZPM-HOCLYGCPSA-N 317.364 2.551 0 50 DFAA COc1ccccc1CCNC[C@@H](O)COc1cccc(C)c1 71767439 WEXVLNRBPDRPRE-QGZVFWFLSA-N 315.413 2.576 0 50 DFAA Cn1ncc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)n1 285364258 SSAMNMWXDGIXET-OAHLLOKOSA-N 302.353 2.616 0 50 DFAA CC1(C)CN(Cc2ccc(C(=O)O)cc2)C[C@@H](C(F)(F)F)O1 263440099 WDHUCDURPOMAJU-LBPRGKRZSA-N 317.307 2.927 0 50 DFAA COc1ccccc1-c1ccc(=O)n(CC(=O)C(C)(C)C)n1 40286663 FHTMRRYZPSEJFO-UHFFFAOYSA-N 300.358 2.534 0 50 DFAA CCOC(=O)c1cccc(NC(=O)N[C@@H](C)C2CCOCC2)c1 178174412 DPTXWRFIGAXKTE-LBPRGKRZSA-N 320.389 2.800 0 50 DFAA Brc1ncnc2c1CN(Cc1ccccc1)CC2 147822134 NFHPZBAGEMQZNP-UHFFFAOYSA-N 304.191 2.797 0 50 DFAA CCc1nnc(CNC(=O)C[C@H]2CCc3ccccc32)s1 91586286 UYRSCLMSLOYFOD-GFCCVEGCSA-N 301.415 2.837 0 50 DFAA CCc1c(C)nc(N)nc1NC[C@H]1CCN(C2CCCC2)C1 95383365 PHBMPNSHRLVCEK-CYBMUJFWSA-N 303.454 2.606 0 50 DFAA O=C(NCCCc1ccccn1)[C@H]1CCOc2ccccc2C1 95498791 HNFNRIWMBAUSHS-INIZCTEOSA-N 310.397 2.772 0 50 DFAA COc1cc(Cl)ccc1-c1nnc(-c2ccn(C)c(=O)c2)o1 1326411352 IJWYMXWHVZVKAS-UHFFFAOYSA-N 317.732 2.764 0 50 DFAA CCn1cc(CN(Cc2cc(OC)ccn2)CC(C)C)cn1 244673704 HUFWWBUQMURZHZ-UHFFFAOYSA-N 302.422 2.965 0 50 DFAA CCCn1cnnc1CNC(=O)CSc1ccc(Cl)cc1 244773854 PHVMJMTVXWCNFH-UHFFFAOYSA-N 324.837 2.750 0 50 DFAA O=C(O)c1ccccc1OCCN1CCCC[C@@H]1c1cn[nH]c1 183936445 OAZSIEISCNDFAY-OAHLLOKOSA-N 315.373 2.714 0 50 DFAA CCn1ncc(CNC(=O)N2CCCC[C@@H]2CCCOC)c1C 534586361 OKPVVLUXXJJAOL-MRXNPFEDSA-N 322.453 2.702 0 50 DFAA CCc1ocnc1C(=O)NC[C@H](c1cccc(C)c1)N(C)C 534590081 FXPFTAWUBSMROK-CQSZACIVSA-N 301.390 2.578 0 50 DFAA CSCc1ccc(C(=O)NCCc2nc(C(C)C)no2)o1 299769186 LFAOMQTUOAFNMW-UHFFFAOYSA-N 309.391 2.622 0 50 DFAA Cn1cc(C(=O)N2CC[C@](O)(c3ccccc3)C2)c2ccccc21 584884100 MDNXZGFHYYRQTB-HXUWFJFHSA-N 320.392 2.912 0 50 DFAA CCN(CCN1C[C@@H]2CC[C@H]1C2)Cc1noc(C2CCC2)n1 1076096065 MOQSVROFLVEVGQ-HIFRSBDPSA-N 304.438 2.643 0 50 DFAA CCN(CCc1nc2ccccc2[nH]1)Cc1nc(C)c(C)n1C 952969102 PQULTDUFEIISOA-UHFFFAOYSA-N 311.433 2.978 0 50 DFAA CC[C@]1(C(=O)OC)CCCN(C(=O)OCc2ccccc2)C1 90513042 NBKJSKPKIOFXOD-KRWDZBQOSA-N 305.374 2.988 0 50 DFAA in-vitro CCCCNC(=O)[C@H]1CC[C@H](C)N(c2ncnc(CC)c2F)C1 271226463 XIJXUBUPXXHOPM-STQMWFEESA-N 322.428 2.699 0 50 DFAA C[C@@H]1CN(c2cc(C(=O)c3cccnc3)ccn2)C[C@@H](C2CC2)O1 408524816 ZORBFJYJBHVUCH-DYVFJYSZSA-N 323.396 2.711 0 50 DFAA Cc1nc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)sc1C(=O)O 409421955 AJWMQFPOTOHROH-SECBINFHSA-N 312.391 2.874 0 50 DFAA Cc1noc(C)c1Cc1nc(COc2ccccc2F)no1 170602154 GNOCPMHDJRDSPH-UHFFFAOYSA-N 303.293 2.983 0 50 DFAA COc1ccccc1-n1cnnc1SCC[C@H]1CCCO1 170604820 JEPKTEPEASYXPY-GFCCVEGCSA-N 305.403 2.937 0 50 DFAA CC[C@H]1CCc2sc(C(=O)NOC[C@H]3CCOC3)cc2C1 170606382 JKNKLZAYWAZAEX-RYUDHWBXSA-N 309.431 2.961 0 50 DFAA CN(CC1(N(C)C)CCC1)C(=O)c1ccnc(OC(C)(C)C)c1 170602931 IQIIZYYLJFNZMF-UHFFFAOYSA-N 319.449 2.815 0 50 DFAA COC[C@H](C)CNc1ccc2nnc(-c3ccsc3)n2n1 185928648 BVSKMLQJPHRQCJ-SNVBAGLBSA-N 303.391 2.547 0 50 DFAA Oc1cccc(CN(Cc2ccno2)[C@H]2CC[C@H](O)CC2)c1 584419047 SURDDZJQHUPQBB-SHTZXODSSA-N 302.374 2.686 0 50 DFAA O=C(O)[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 191616312 ZFEOPWNNTSWNNV-BQBZGAKWSA-N 305.664 2.601 0 50 DFAA COc1ccc(O[C@@H](C)CNc2ncnc3onc(C)c23)cc1 192468649 AETCCJUOKOLZKM-JTQLQIEISA-N 314.345 2.814 0 50 DFAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 649473359 YLZPWKUWDQGTTM-VNHYZAJKSA-N 315.369 2.999 0 50 DFAA O=C(Nc1ccncn1)N[C@H]1CCCOc2cc(F)ccc21 194053277 JSYFGWFVLXDPCL-LBPRGKRZSA-N 302.309 2.651 0 50 DFAA Cn1ncc(C(F)(F)F)c1CNCc1nn(C)c2ccccc12 657434956 MOMNDNWLYSAYGV-UHFFFAOYSA-N 323.322 2.615 0 50 DFAA C[C@@H](c1nc(C2CC2)no1)N1Cc2cnn(C)c2CC(C)(C)C1 664873435 CVFCOUPSWRKJGT-NSHDSACASA-N 315.421 2.826 0 50 DFAA Cc1cccc(C(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1N 1615055947 FVVHHYVHMHGKNU-WDEREUQCSA-N 316.323 2.759 0 50 DFAA COC[C@]1(c2noc(-c3cccc(C)c3O)n2)CCCCO1 1615571316 ITXRSSQGGKPQGY-INIZCTEOSA-N 304.346 2.793 0 50 DFAA CCCn1ncc(C)c1NC(=O)c1ccc2c(c1)OCCO2 1506400114 IBNLHMJBXIYKGR-UHFFFAOYSA-N 301.346 2.625 0 50 DFAA O=C1C[C@H](NCC2CC2)CN1Cc1ccccc1C(F)(F)F 15071294 UYTFJOGPXMPLNR-ZDUSSCGKSA-N 312.335 2.806 0 50 DFAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccncc3)n2)c1 16578836 MEHAZKFHDRHUAK-UHFFFAOYSA-N 308.341 2.930 0 50 DFAA CCOc1ccc(CC(=O)NC2CCN(C(C)C)CC2)cc1 16605346 PXPNHAVGYBXRHC-UHFFFAOYSA-N 304.434 2.617 0 50 DFAA Cc1cccc2cc(-c3nccn3-c3cnn(C)c3)c(O)nc12 1857684667 XLZRLUVXIVCRCG-UHFFFAOYSA-N 305.341 2.835 0 50 DFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@@H](N)C[C@H]2C)c1 408519191 QAAORLABUYSDIT-JHJVBQTASA-N 310.825 2.754 0 50 DFAA O=C(Cc1c[nH]c2ccc(Cl)cc12)N1[C@H]2CC[C@H]1CC(O)C2 123327021 LJIOYDSKPWEYTF-STQMWFEESA-N 318.804 2.878 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)CCCc1nc2ccccc2s1 238061983 BEEPQULFSBDPRX-LBPRGKRZSA-N 318.398 2.695 0 50 DFAA COc1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1Cl 248128032 IUIVOMRLBJGLEC-NEPJUHHUSA-N 323.776 2.531 0 50 DFAA C[C@H](NC[C@@H]1CCCO[C@H]1c1nccn1C)c1cncc(F)c1 858008781 ZHYYEENHNPKHFX-HEHGZKQESA-N 318.396 2.773 0 50 DFAA COc1cccc(CN2[C@@H](C(=O)O)CC[C@@H]2C(F)(F)F)c1 1875283408 RIQAOVUYVQDCOI-VXGBXAGGSA-N 303.280 2.675 0 50 DFAA C[C@@H]1C[C@@H](c2ccccc2)CN(Cc2cc(=O)n3nccc3[nH]2)C1 1875265683 LOWUGAVUEMRKTL-GDBMZVCRSA-N 322.412 2.648 0 50 DFAA CC(C)C1CCC(N(C)C(=O)/C=C/CN2CCOCC2)CC1 1875334939 LHPRGCJTEOJDJY-SNAWJCMRSA-N 308.466 2.548 0 50 DFAA O=C(Nc1ncc(-c2ccncc2)[nH]1)c1cccc2cccn12 1875339055 UYKJUQGZBRHMFJ-UHFFFAOYSA-N 303.325 2.977 0 50 DFAA CC(F)(F)C(C)(C)CNCCNC(=O)c1ccccc1F 888096100 JVGYHBMWQCAPFN-UHFFFAOYSA-N 302.340 2.827 0 50 DFAA O[C@H]1CCC[C@@H]1CNc1ccc(-c2c(F)cccc2F)nn1 892702752 CDSCZPNAVGZWAR-YGRLFVJLSA-N 305.328 2.995 0 50 DFAA O=S(=O)(Cc1ccc(Cl)cc1)N[C@H]1CCCC2(C1)N=N2 1775991711 TXISMWVXCCTKDE-LBPRGKRZSA-N 313.810 2.864 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 68860 HUNBERVSMWFRIQ-ZUZCIYMTSA-N 318.373 2.665 0 50 DFAA CCOC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1 366587 YZAHMPASHLJRBS-UHFFFAOYSA-N 308.353 2.697 0 50 DFAA O=C1COc2ccc(Cl)cc2N1Cc1ccc2c(c1)OCO2 4520798 OWUMNDLUYKBJTM-UHFFFAOYSA-N 317.728 2.994 0 50 DFAA CC1(C)[C@H]2CC[C@@]13CCN(C(=O)N[C@@H]1C[C@@H]4COC[C@@H]41)[C@@H]3C2 2325794169 SVNHUWVXACOKEV-GUCPESATSA-N 304.434 2.632 0 50 DFAA CN(C(=O)Cc1c[nH]c2ccccc2c1=O)c1ccc(F)cc1 2325875212 KAGQJQWAGHSGKR-UHFFFAOYSA-N 310.328 2.873 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 283111 ARUSXJJNBOQQKE-UHFFFAOYSA-N 319.382 2.511 0 50 DFAA COc1cnccc1-c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 2356138852 RBXSAQAZCYJOBW-USXIJHARSA-N 324.380 2.807 0 50 DFAA CCc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 2993791 DDRAGVSSEZJUFW-CQSZACIVSA-N 310.397 2.743 0 50 DFAA CO[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(Cl)c1 110631445 SSGOYQGEWZNWGX-TUVASFSCSA-N 309.793 2.711 0 50 DFAA CCCCCN1CCC(Cn2cc(C3(O)CCCC3)nn2)CC1 55341043 UUWRZOLVOFSSTE-UHFFFAOYSA-N 320.481 2.942 0 50 DFAA COc1ccc([C@H](C)N(C)C(=O)NCCN(C)C(C)C)cc1 102062177 YBQGVJRPLBWHFY-AWEZNQCLSA-N 307.438 2.738 0 50 DFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 58965445 YCGURUKBQKPFQJ-UHFFFAOYSA-N 318.421 2.502 0 50 DFAA O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 247560786 KVWUWGRZVDRLTH-YYIAUSFCSA-N 300.402 2.627 0 50 DFAA Nc1ccnc(N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)n1 67650277 LORGHJNXONYDKP-AWEZNQCLSA-N 320.400 2.833 0 50 DFAA Cc1nc(CNC(=O)[C@](C)(O)CCc2ccccc2)sc1C 253392906 DTDKHNFEUNKWDL-QGZVFWFLSA-N 318.442 2.760 0 50 DFAA COCCC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(F)c1 77424584 PNQYPCVSDVYKAP-AWEZNQCLSA-N 309.381 2.882 0 50 DFAA CC(=O)c1ccc(CNC(=O)COC2CCC(C)CC2)nc1C 281357305 XFBDEFXJRXVGCH-UHFFFAOYSA-N 318.417 2.804 0 50 DFAA Cc1oc2ccccc2c1CN1CC[C@H](N2CCOCC2)C1 121021442 HCWXZWTVSHEZQP-HNNXBMFYSA-N 300.402 2.648 0 50 DFAA CCc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)nc1 215756664 JELLQEPIOKPLCG-UHFFFAOYSA-N 321.468 2.929 0 50 DFAA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1[nH]c3ccccc3c1Cl)C2 215206405 XRVKVDTXEKHWRE-NWDGAFQWSA-N 317.820 2.988 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccncc3)C2)nc1 125256823 JUXMUJZQUCILKH-INIZCTEOSA-N 310.401 2.636 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2Cc2c(C)noc2C)c1 331459653 AMDHDVHZEUXQEZ-WMLDXEAASA-N 302.374 2.608 0 50 DFAA CC[C@@H]1C[C@H](C(=O)Nc2nc(C3CCC3)cs2)CC(=O)N1 333231856 GTLWPCIOPYROGO-WDEREUQCSA-N 307.419 2.654 0 50 DFAA COc1cccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)O)c1 237374191 SBBGHFRSKUNLLM-OAHLLOKOSA-N 319.401 2.874 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)CC2(N)CCC2)[C@H](C)CO1 237532334 ZZPUSPHTCYPEGC-GDBMZVCRSA-N 302.418 2.555 0 50 DFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@H](C(=O)O)C3)cc12 237662750 WOKINRKZORZNOM-JTQLQIEISA-N 304.321 2.552 0 50 DFAA CN(C)S(=O)(=O)c1ccc2c(c1)Cc1ccccc1S2 44123308 VPJAUZQOSMODPM-UHFFFAOYSA-N 305.424 2.992 0 50 DFAA CN(C[C@H]1CC2(CCC2)C(=O)O1)[C@@H](CCO)c1ccccc1 239367127 AHQLEXIJLLWYGR-CVEARBPZSA-N 303.402 2.528 0 50 DFAA C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1cc2cc(F)ccc2o1 240555579 GWLLMYAJFKOEAS-COPLHBTASA-N 318.348 2.869 0 50 DFAA CCOC(=O)c1c(NC(=O)CC(C)=O)sc2c1CCCC2 196108786 XIUJDWPLKFBEPQ-UHFFFAOYSA-N 309.387 2.721 0 50 DFAA COc1ccc(Cl)cc1CNC(=O)N[C@H](C)c1nc(C)no1 338414933 XOLVFRXYJTXLIT-MRVPVSSYSA-N 324.768 2.600 0 50 DFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC1CSCCSC1 223841277 UWICXXODPWOGJZ-CABCVRRESA-N 317.520 2.565 0 50 DFAA COc1ccccc1CN1CCC[C@H](c2nc(N(C)C)no2)C1 194935725 QQJHKFBLXMKWHT-AWEZNQCLSA-N 316.405 2.524 0 50 DFAA CC(=O)N[C@H](C)Cc1nc(C)nn1-c1ccc2ccccc2c1 96150117 ORISKCIUHIOGRX-GFCCVEGCSA-N 308.385 2.796 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2C)n1 237148328 JZOYSLSUEWCXFA-ZDUSSCGKSA-N 315.442 2.943 0 50 DFAA Cc1nc(CC(=O)N2Cc3cnc(CC(C)C)nc3C2)cs1 96131011 WUIGVKHHALRYEL-UHFFFAOYSA-N 316.430 2.525 0 50 DFAA CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95368297 NQNNRWRWXODNOE-ZWKOTPCHSA-N 316.493 2.989 0 50 DFAA CCCCNC(=O)c1ccc(CNC(=O)c2ccsn2)cc1 294383081 HKUJTGSXEJDUJR-UHFFFAOYSA-N 317.414 2.603 0 50 DFAA C[C@H](c1nc2ccccc2o1)N1CCN(c2ncccn2)CC1 180902014 UZUXTLRGIGNAQK-CYBMUJFWSA-N 309.373 2.501 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1COc2ccccc21 299740567 ABEPDXFMTULARF-OAHLLOKOSA-N 311.337 2.519 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@H]2O 257346085 QHSZSKZLCCRGLJ-DZBYAUNPSA-N 306.446 2.930 0 50 DFAA CCc1nccn1CCNC(=O)N1CC[C@@H]1c1cccs1 534651070 XKCNNYVPFMJPEB-GFCCVEGCSA-N 304.419 2.664 0 50 DFAA CCCc1ccc(OCCNC(=O)N2CCCC[C@@H]2CO)cc1 534640010 RDFXDHVDRVKGKV-MRXNPFEDSA-N 320.433 2.574 0 50 DFAA O=C(CCc1ccncc1)NCC1(COc2ccccc2)CC1 299772503 ACTFJAJOJYOJLZ-UHFFFAOYSA-N 310.397 2.990 0 50 DFAA O=C(NC1CCCCCC1)C1CCN(C[C@H]2CCOC2)CC1 670436520 VHKKQRCPSJXCEN-OAHLLOKOSA-N 308.466 2.574 0 50 DFAA COc1cc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)ccn1 1346055428 MEEBZYAUTRRXLA-UHFFFAOYSA-N 311.297 2.578 0 50 DFAA CCCN1CCC[C@@H](NCc2cc3ccccc3n(C)c2=O)C1 952987629 OYSUFFBKFUXCFC-QGZVFWFLSA-N 313.445 2.503 0 50 DFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)Cc1cccs1 952977421 QKKFQCUIAHNMQP-UHFFFAOYSA-N 313.382 2.999 0 50 DFAA Cc1cnn([C@@H]2CCCN(C(=O)Cc3nc(C)sc3C)C2)c1 164351985 VQMOICNHIAHYIU-CQSZACIVSA-N 318.446 2.671 0 50 DFAA Cc1nnc(CC(=O)NCC2(c3ccccc3)CCC2)s1 665807890 ALIHWPQVEYDQHC-UHFFFAOYSA-N 301.415 2.627 0 50 DFAA CCc1cccc(S(=O)(=O)Nc2ncccc2N(C)C)c1 170600111 KBSQZODHORAHTQ-UHFFFAOYSA-N 305.403 2.511 0 50 DFAA O=C(NCC1CCCCC1)[C@@H]1CCCN1C[C@@H]1CCC=CO1 170607078 PVSFBYAHONVDHR-IRXDYDNUSA-N 306.450 2.840 0 50 DFAA CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(F)c2)C12CCOCC2 186224846 VRHJCCJTIIHROP-IAGOWNOFSA-N 323.408 2.898 0 50 DFAA Cn1cnnc1CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 190682558 YQZRGMUHRAUNCV-UHFFFAOYSA-N 312.339 2.945 0 50 DFAA COC(=O)c1sc2cccc(F)c2c1NC(=O)[C@@H](C)OC 585085414 FBMLQCPHDISDPU-SSDOTTSWSA-N 311.334 2.800 0 50 DFAA CCC(CC)n1ncc(C(=O)NCc2cnc(Cl)cn2)c1C 585087985 FUCPCSMWCQPNEI-UHFFFAOYSA-N 321.812 2.926 0 50 DFAA Cc1cccc(N(CC(C)(C)C)C(=O)COC[C@@H]2CCCO2)n1 585124605 JFZZWDJMIMQPBB-HNNXBMFYSA-N 320.433 2.965 0 50 DFAA Cc1noc2ncnc(NCC3([C@@H](O)c4ccccc4)CC3)c12 192506464 ZTMMUYRNVFXXOH-AWEZNQCLSA-N 310.357 2.852 0 50 DFAA Cn1cccc1-c1csc(CC(=O)NCc2ccco2)n1 192793105 HLABLJBZAHLJID-UHFFFAOYSA-N 301.371 2.601 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)NC1(c2ncon2)CCC1 1615604712 FAJPUNNIIIIGPQ-LBPRGKRZSA-N 319.336 2.562 0 50 DFAA Cn1ccc2c(C(=O)N3CCC(c4ncon4)CC3)cccc21 1616039434 ZXFKCWVAGJNJRY-UHFFFAOYSA-N 310.357 2.581 0 50 DFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCC1CCCC1 1704330825 GVKHBMASGHNHGZ-UHFFFAOYSA-N 306.454 2.579 0 50 DFAA CC[C@@H]1CCCCN1c1ncnc2c1c(Br)nn2C 264940524 SWXNBHJFHXSKEB-SECBINFHSA-N 324.226 2.895 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)Cc2ccc(O)c(Cl)c2)C1 1772703919 FIGSCVQWORUGKI-GFCCVEGCSA-N 322.836 2.673 0 50 DFAA CCSc1nnc([C@@H](C)NC(=O)/C=C/c2cccs2)n1C 14882422 ONMIHCOWAXBHLR-QROSGCPLSA-N 322.459 2.879 0 50 DFAA Cc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1 15911781 PAWSFISVJGSPHX-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA C1=CC2(CCN(c3ncc4cn[nH]c4n3)CC2)c2ccccc21 1857675268 QFOWHUGERHAUPI-UHFFFAOYSA-N 303.369 2.918 0 50 DFAA O=C1C[C@H](c2ccc(-c3ccc4ncnc(O)c4c3)cc2)CN1 1857726183 IKLIGSVCUQMVAH-AWEZNQCLSA-N 305.337 2.606 0 50 DFAA CC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)N(C)C 245827523 FUWOXBOPUVEAOA-XHSDSOJGSA-N 323.868 2.542 0 50 DFAA Nc1ncccc1CN1C[C@@H]2CC[C@H](C1)CN2Cc1ccccc1 247662686 ULMDCLAZVDCPOG-MJGOQNOKSA-N 322.456 2.760 0 50 DFAA C1CC([C@H]2COCCN(Cc3nnc(C4CC4)n3C3CC3)C2)C1 366423670 WBJHIOYWNYECJQ-OAHLLOKOSA-N 316.449 2.739 0 50 DFAA CC(C)c1cc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)no1 263153442 HRKPQUZTTXFTKK-UHFFFAOYSA-N 306.293 2.817 0 50 DFAA COc1ccc(OC(F)F)c(CN2CCC(C(=O)O)CC2)c1 820849707 RDESRHDAOYSALF-UHFFFAOYSA-N 315.316 2.593 0 50 DFAA Cn1ncc(C2CCC2)c1CNC(=O)c1ccnn1C1CCC1 824902013 SSAJXMOKWMLLIF-UHFFFAOYSA-N 313.405 2.539 0 50 DFAA Cc1[nH]nc2c1CCCN2Cc1nc(-c2ccsc2)no1 934305725 FEQKHEJZDVZKBY-UHFFFAOYSA-N 301.375 2.782 0 50 DFAA Cc1cccc([C@@H](CC(=O)O)NC(=O)[C@@H]2Cc3ccccc32)c1 864230180 SKKNIVUBCGOQFX-IAGOWNOFSA-N 309.365 2.967 0 50 DFAA CN1CCN(C(=O)CCC(F)(F)F)c2cc(C(=O)O)ccc21 1875292044 UTFUWPPCYQVTEQ-UHFFFAOYSA-N 316.279 2.510 0 50 DFAA C=CC(=O)N[C@@H](CC)C(=O)N[C@@H](C)c1ccc(Cl)s1 1875371356 YBGSIHCKFWGDKV-IUCAKERBSA-N 300.811 2.660 0 50 DFAA CC(C)Oc1ccc(CN(C=O)[C@@H]2CCN(C)[C@H](C)C2)cc1 1875325241 JWYRDKFSQDJFDD-NVXWUHKLSA-N 304.434 2.915 0 50 DFAA Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCN 2541705 FERWCFYKULABCE-UHFFFAOYSA-N 301.342 2.940 0 50 DFAA in-man OCc1cc(N2CCC(n3ncc4ccccc43)CC2)ccn1 2325775659 YBJAYGJLHWRDTL-UHFFFAOYSA-N 308.385 2.765 0 50 DFAA CC(C)(C)c1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cn1 2325787905 AVTCWYRENUHYOJ-LSDHHAIUSA-N 302.418 2.922 0 50 DFAA COC(=O)c1cc(NC(=O)N[C@@H]2[C@@H](C)[C@H]2C)cc2[nH]ccc12 2325792507 KQRPCMDGGVIIFM-QRJZZWFUSA-N 301.346 2.730 0 50 DFAA COc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1F 528998 ZRIBONRSHGYIEA-LLVKDONJSA-N 309.362 2.874 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1OC 1052500 JMEMTZYJXZKPRO-RYUDHWBXSA-N 307.346 2.533 0 50 DFAA CCN(CC)C(=S)SCC(=O)N1CCc2ccccc2C1 4141858 TVJBBZVNSRFHBE-UHFFFAOYSA-N 322.499 2.931 0 50 DFAA CCCn1c(=O)c(C(=O)Nc2ccccn2)c(O)c2ccccc21 100329645 INYMZZKHYJQUGZ-UHFFFAOYSA-N 323.352 2.764 0 50 DFAA Cc1cc(CN[C@@H](CN(C)C)c2ccc(Cl)cc2)nn1C 414452793 PVAJWRDGRPXJGB-INIZCTEOSA-N 306.841 2.774 0 50 DFAA CS(=O)(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccs1 225781800 GYFYSEMFHWXFGZ-ZDUSSCGKSA-N 324.402 2.998 0 50 DFAA CCOC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 9259415 NHXUUCKQMMGNCE-UHFFFAOYSA-N 306.362 2.563 0 50 DFAA Cc1cccc(CN2CCN(C(=O)[C@@H]3[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)CC2)c1 101928760 CDORRSRMXFTKEJ-AJRUKDSQSA-N 324.468 2.931 0 50 DFAA CCOc1cccc(CN2CCC(CN3CCOCC3)CC2)c1 134053327 SVYRMUYPIAAQAI-UHFFFAOYSA-N 318.461 2.630 0 50 DFAA O[C@@]1(CNCCCc2ccccc2)CCCN2CCCC[C@@H]21 63855837 JXPSLURLVBNSTI-RTBURBONSA-N 302.462 2.588 0 50 DFAA COc1cccc([C@@H](C)N(C)C(=O)COc2cccnc2)c1 67712892 JWTJUNULCHJSJT-CYBMUJFWSA-N 300.358 2.689 0 50 DFAA C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2cn(C(C)(C)C)nn2)C1 359732492 QRPQXCRRALBHTG-DYVFJYSZSA-N 308.470 2.700 0 50 DFAA COC(=O)[C@@H]1CCCN(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1 252516806 WZTALXJJMQJQQI-ZUMXRPEOSA-N 322.449 2.796 0 50 DFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1C[C@H]1C 252506329 VZIGUIBTRFMJAU-SIXWZSSISA-N 315.413 2.809 0 50 DFAA CC(C)c1noc(-c2ccc(NCCc3cnccn3)nc2)n1 39490034 OQASCYLLKSKXGW-UHFFFAOYSA-N 310.361 2.700 0 50 DFAA Cc1nn(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1Br 2778476 NKKNMNAGRWILNV-QMMMGPOBSA-N 302.216 2.655 0 50 DFAA CCc1n[nH]c(-c2cccc(-n3ccnc3-c3nccn3C)c2)n1 71745914 AJLZWHVHURJOFH-UHFFFAOYSA-N 319.372 2.620 0 50 DFAA CN1CCC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 72117230 IQHXLPNEZGKNII-NSHDSACASA-N 301.217 2.951 0 50 DFAA O=S(=O)(C1CC1)N1CCC[C@@H]1c1nc2ccccc2s1 122680956 UOVWCNPIBHBAFB-GFCCVEGCSA-N 308.428 2.925 0 50 DFAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(c2ncccn2)C1 71735957 FXMCEQFEKZACMV-QGZVFWFLSA-N 317.820 2.952 0 50 DFAA CCn1ccnc1C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 365862224 QJFFBEWUHUZOJM-GFCCVEGCSA-N 315.377 2.531 0 50 DFAA CCc1cc(O)nc(CS[C@@H](C)C(=O)N2CCCCCC2)n1 125654442 UIHMKDVSJNXBKQ-LBPRGKRZSA-N 323.462 2.769 0 50 DFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1coc2ccccc12 367709839 VGORSKHDTRXOPZ-CQSZACIVSA-N 310.357 2.527 0 50 DFAA CCc1cc(N2CCC(CCn3cccn3)CC2)n2nccc2n1 72158965 DKJZZYZESSDBRV-UHFFFAOYSA-N 324.432 2.795 0 50 DFAA CC(C)c1ncc2c(n1)CN(C(=O)c1ccc3nc[nH]c3c1)CC2 369775421 QKXYHZBKPVYALN-UHFFFAOYSA-N 321.384 2.675 0 50 DFAA O=C1CCCCN1[C@H]1CCCN(CCc2ccc(F)c(F)c2)C1 371244757 QDBGZMCACHMOEF-HNNXBMFYSA-N 322.399 2.984 0 50 DFAA CCCCOC(=O)N(Cc1cccnc1)C1CCN(C)CC1 72125325 WBCZAJWBECKSCA-UHFFFAOYSA-N 305.422 2.915 0 50 DFAA C[C@@H]1COc2ccccc2CN1C(=O)c1cncnc1C1CC1 333868228 ORCFLRYOIRDVGS-GFCCVEGCSA-N 309.369 2.777 0 50 DFAA CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC 72115566 TYPHKZNCYGHNQM-LBPRGKRZSA-N 315.373 2.610 0 50 DFAA COc1ccccc1CCNC[C@H](O)COc1cccc(C)c1 71767440 WEXVLNRBPDRPRE-KRWDZBQOSA-N 315.413 2.576 0 50 DFAA O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCC[C@H]1c1ccc(F)cc1 241173026 KFJILAOKCZOLPO-ZNMIVQPWSA-N 302.349 2.888 0 50 DFAA CC(C)Cc1ccccc1C(=O)NCc1ccc(C(N)=O)o1 241815956 SELBWDQIFAIFMT-UHFFFAOYSA-N 300.358 2.507 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 339439561 LXVWXDQLASBTLV-ZIAGYGMSSA-N 322.767 2.766 0 50 DFAA Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@@H](CN)C1 178579138 QHYXMWUWFANNCE-GJZGRUSLSA-N 304.434 2.693 0 50 DFAA COc1ccc(Cn2cc(-c3cnn4cccnc34)cn2)cc1 426661190 HEVNZRMPNMOMRY-UHFFFAOYSA-N 305.341 2.650 0 50 DFAA Nc1ccsc1C(=O)N1CCC[C@@H](CN2CCCCC2)C1 91680578 UWPMHMUCSHQJIN-ZDUSSCGKSA-N 307.463 2.668 0 50 DFAA Cc1cnc(C)c(-c2ccc(C(=O)NCCN3CCCC3)cc2)n1 426693683 GPFKLVFGRFQQPD-UHFFFAOYSA-N 324.428 2.586 0 50 DFAA CCCn1cnc2cc(NC(=O)NC[C@H]3CCOC3)ccc21 426438545 GXCSMMYWSPIZHD-GFCCVEGCSA-N 302.378 2.604 0 50 DFAA Cc1nn(CCC(N)=O)c(C)c1-c1cc(F)cc(OC(C)C)c1 96139048 YCICIPMNOMAULK-UHFFFAOYSA-N 319.380 2.969 0 50 DFAA COc1cc(O)c(OC)c2c1C(=O)C[C@@H](c1ccccc1O)O2 238773830 SJYKCNDMHBDJEC-ZDUSSCGKSA-N 316.309 2.822 0 50 DFAA biogenic C[C@H](O)c1cccc(N2CCC(CN3CCCCC3)CC2)n1 96130986 LXNBRFHQPYEBGA-HNNXBMFYSA-N 303.450 2.837 0 50 DFAA CCCn1ncnc1[C@H](C)Nc1nc2c(s1)c(C)nn2C 96161190 ZAUNANUZKKLANY-VIFPVBQESA-N 305.411 2.513 0 50 DFAA CSCc1nc(CNC(=O)Nc2c(C)noc2C)cs1 95521090 RUPBTRZJCHVIOU-UHFFFAOYSA-N 312.420 2.933 0 50 DFAA O=C1OCCN1CC(=O)N(Cc1ccsc1)C1CCCCC1 95526083 WEZDKXOSBLPVBO-UHFFFAOYSA-N 322.430 2.862 0 50 DFAA O=C(CCN1CCCC2(CCOCC2)C1)NCc1cccs1 240128350 IQEXHYVRAKFGLE-UHFFFAOYSA-N 322.474 2.647 0 50 DFAA Cc1ncn(CC(=O)N2CCc3c(Cl)cccc3C2)c1C 244748542 OJLNDRUBKPGKAI-UHFFFAOYSA-N 303.793 2.738 0 50 DFAA COCCCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCCC1 244873179 WLHSUZTWFVSZSA-HNNXBMFYSA-N 322.424 2.675 0 50 DFAA CC[C@@H](CC(=O)N1CCC(c2ccnn2CCO)CC1)C(C)C 181926740 HOBOOMWZZQESJK-HNNXBMFYSA-N 321.465 2.654 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2ccncn2)CC1 298366635 PEOQUTUCXDWGAW-CQSZACIVSA-N 311.385 2.650 0 50 DFAA Cc1nccc(N2CCN(c3ccnc4ccsc34)CC2)n1 184013764 CMHYSETZRGRMAZ-UHFFFAOYSA-N 311.414 2.721 0 50 DFAA CC[C@H](C(=O)Nc1cc(C)ccc1NC(C)=O)n1cccn1 952966351 HATMEAURTGKMRA-OAHLLOKOSA-N 300.362 2.740 0 50 DFAA Cc1ccc(C)c(CC(=O)N2CCCN(CC(F)F)CC2)c1 165376276 BKKVMTLODRDXIT-UHFFFAOYSA-N 310.388 2.645 0 50 DFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCCc2cccc(O)c21 408146003 WXQIXXQUJPRGTJ-LLVKDONJSA-N 313.401 2.825 0 50 DFAA CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1occc1Br 408143352 UZRWSGFKJGDBQR-GXSJLCMTSA-N 316.195 2.665 0 50 DFAA CC(C)C[C@H](N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 167790049 AARFZAOEYHEPHL-QAPCUYQASA-N 317.477 2.702 0 50 DFAA C[Si](C)(c1ccc(Br)cc1)c1ccccc1CO 169975302 XUQDWNXYJIOKBY-UHFFFAOYSA-N 321.290 2.764 0 50 DFAA in-vitro O=C(Nc1cccc(CSC2CCCC2)c1)[C@@H]1CNCCO1 170048965 UTVUVZVKZLIZTB-INIZCTEOSA-N 320.458 2.789 0 50 DFAA CN(Cc1nnc[nH]1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 170644447 QGJVAPXZSGEUTP-NWDGAFQWSA-N 324.306 2.586 0 50 DFAA COCc1noc(CN2CCN(C3CC3)c3c(C)cccc32)n1 187752145 LYYKCXJJEQFIHS-UHFFFAOYSA-N 314.389 2.513 0 50 DFAA Cc1cccc(C(C)C)c1NC(=O)Cn1ccn2c(=O)nccc12 585122841 BGZBLONOAZMFQO-UHFFFAOYSA-N 324.384 2.567 0 50 DFAA N=c1cc[nH]cc1C(=O)N1CCC2(CCc3ccccc3C2)CC1 653178480 BXLFKEWBWGSJKB-UHFFFAOYSA-N 321.424 2.905 0 50 DFAA NC(=O)c1cc(NCc2ccc(Cl)cn2)nc2ccccc12 775688955 VUBHPHFYTGSZDR-UHFFFAOYSA-N 312.760 2.994 0 50 DFAA CCc1nc(C(=O)N2CCO[C@H](c3ccccc3)CC2)co1 1615615384 OZTGBBOAYZLLSI-HNNXBMFYSA-N 300.358 2.841 0 50 DFAA C1COC[C@H](CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C1 1506427842 UAPAEYIDACGNFY-KUNTWMTDSA-N 318.505 2.999 0 50 DFAA O[C@@H]1Cc2ccccc2[C@@H]1Nc1ccncc1Br 225405569 ORVAZJVVTVRFKO-KGLIPLIRSA-N 305.175 2.914 0 50 DFAA Cn1cccc1C(=O)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704298047 CQRXZNGIBXIARH-SYNHAJSKSA-N 324.424 2.785 0 50 DFAA CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC 5008678 SMTTWCDOCCWPLK-HNNXBMFYSA-N 318.373 2.666 0 50 DFAA CCN1CCC[C@H](N2CCC(CO)(Cc3ccccc3)CC2)C1 19745198 ZKULERBGXDGILT-IBGZPJMESA-N 316.489 2.788 0 50 DFAA CC(=O)N1CCC[C@H](n2ccnc2-c2ccncc2Cl)C1 1875246256 CRRJPRNSUCTUBU-LBPRGKRZSA-N 304.781 2.782 0 50 DFAA CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@H](C)NC(=N)O)C2)cc1 330900976 OUHGQRPFUGIWBF-ZFWWWQNUSA-N 317.433 2.672 0 50 DFAA CCn1cnnc1[C@@H]1CN(CC[C@@H](C)c2ccccc2)CCO1 252539447 NZSQAKYQTSCRQV-WBVHZDCISA-N 314.433 2.865 0 50 DFAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCC(OCC2CCCC2)CC1 370769947 BANNMUVSVITTTN-CWLKWCNXSA-N 320.477 2.558 0 50 DFAA O=C(c1ccoc1Cl)N1CCC[C@@H](N2CCCCC2=O)C1 373008605 NKWDZMYQXIZVPB-LLVKDONJSA-N 310.781 2.550 0 50 DFAA Cc1ccccc1[C@H]1CCN(CC(=O)Nc2c(C)n[nH]c2C)C1 263715633 PZJWNLKLDKNMSA-HNNXBMFYSA-N 312.417 2.763 0 50 DFAA CCc1ncc(NC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)cn1 930490537 FDIFOQCRYNLYCX-LLVKDONJSA-N 312.373 2.684 0 50 DFAA NCC[C@@H]1CCN(C(=O)c2cccc(-c3ccc(CN)cc3)c2)C1 1875287342 GAFINPIEGWCXQV-MRXNPFEDSA-N 323.440 2.623 0 50 DFAA O=S(=O)(Cc1ccc2nonc2c1)NCCC1=CCCCC1 1875288444 DNXYZGIGWXLYFM-UHFFFAOYSA-N 321.402 2.533 0 50 DFAA CCC(F)(F)C(C)(C)CN[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 1875399683 HHGGUKBCOCEAIC-BFHYXJOUSA-N 315.408 2.684 0 50 DFAA CC[C@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O 141610 QDEBMUJFOODXQL-GZMMTYOYSA-N 303.280 2.935 0 50 DFAA O=C1NCCN1c1ccc(C(F)(F)F)cc1Br 1857779316 DJKYPJIMJHXLJB-UHFFFAOYSA-N 309.085 2.998 0 50 DFAA CN(C)c1cccc(CN2CC[C@H](n3cc4ccccc4n3)C2)n1 2325771822 SAWFGWITVLVQMC-KRWDZBQOSA-N 321.428 2.944 0 50 DFAA CCn1ncc2c1CC[C@@H](NCc1ccc(-n3ccnc3)cc1)C2 2325788555 OIKBDZKHVCMZHT-QGZVFWFLSA-N 321.428 2.736 0 50 DFAA C[C@@H]1C[C@@H](O)CN(c2nc3ccc(Cl)cc3n3cncc23)C1 2325797352 GKVFBMDFRFRUES-ZYHUDNBSSA-N 316.792 2.743 0 50 DFAA CN(C)Cc1ccc(-c2noc([C@H]3CCc4cncn4C3)n2)cc1 863951434 UPTSLRNCZZBMFL-HNNXBMFYSA-N 323.400 2.725 0 50 DFAA COc1cc(-c2nc3ccccc3c(=O)o2)cc(OC)c1OC 79221 ZNQZIMHWABGZNW-UHFFFAOYSA-N 313.309 2.881 0 50 DFAA NC(=O)c1ccccc1NC(=O)c1ccccc1Br 281804 XUZRUYMPJYBKCL-UHFFFAOYSA-N 319.158 2.800 0 50 DFAA O=C1OC[C@H]2CN(c3ccnc4c(C(F)(F)F)cccc34)C[C@@H]12 2356135908 YCFQAZPVPRFIRF-MWLCHTKSSA-N 322.286 2.863 0 50 DFAA Cc1cc(N2[C@H]3CC[C@@H]2C[C@@H](CO)C3)nc(-c2cccnc2)n1 2356138501 NGKFQONPNOXEMO-MKZZRHPPSA-N 310.401 2.587 0 50 DFAA O=C(c1ccc2c(c1)CCO2)N1CCC(OC(F)(F)F)CC1 2356139622 UWABMCNOKOPMOA-UHFFFAOYSA-N 315.291 2.763 0 50 DFAA CC(C)c1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 4833652 HVEOKHTZCSEUTE-HNNXBMFYSA-N 311.385 2.995 0 50 DFAA CCOc1cccc2cc(C(=O)NCc3ccncc3)c(=O)oc12 6715873 VZAIIHPITIKXIC-UHFFFAOYSA-N 324.336 2.517 0 50 DFAA O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 6741169 SFNUQOFRUOOFRC-UHFFFAOYSA-N 300.270 2.788 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCC1 10450198 RBYNYYJYVGRXNG-ZDUSSCGKSA-N 310.825 2.709 0 50 DFAA CN1CC[C@H](NC(=O)Nc2ccon2)[C@H]1c1ccc(F)c(F)c1 225349396 ZUEBRSRTZBWOJN-GXTWGEPZSA-N 322.315 2.520 0 50 DFAA Cc1nc(CC(=O)N[C@H](C)c2cn3ccsc3n2)cs1 65385988 FUCYVZUBMDLHDD-MRVPVSSYSA-N 306.416 2.581 0 50 DFAA CCNc1ncc(CN(Cc2ccccc2)C[C@H](C)CO)cn1 55119306 NTPVXNNYQFSKRC-HNNXBMFYSA-N 314.433 2.539 0 50 DFAA O=C(CCc1nc(-c2ccccn2)no1)Nc1ccccc1F 21523940 WRHQNLVHLMCWCH-UHFFFAOYSA-N 312.304 2.842 0 50 DFAA Cc1nc(N2CCC[C@H](C)C2)nc2cc(S(C)(=O)=O)ccc12 67879582 BYWKNGXYSKSLFO-NSHDSACASA-N 319.430 2.578 0 50 DFAA Cn1nc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O 170622241 XCFMRYKEEWXCIX-UHFFFAOYSA-N 318.336 2.667 0 50 DFAA COc1cccc2c1CC[C@H]2NCc1cnn(CC(F)F)c1 352673435 ZYWXSMNXEVTZOQ-CQSZACIVSA-N 307.344 2.934 0 50 DFAA COC(=O)c1c(C(=O)OC)c(-c2ccc(F)cc2)n2c1CCC2 1385011 UTUFGDOXTQJLIO-UHFFFAOYSA-N 317.316 2.814 0 50 DFAA CC(C)(CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC(=O)OC(C)(C)C 252585650 KDEHKXYZGAYDNJ-YNEHKIRRSA-N 312.454 2.693 0 50 DFAA O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc[nH]1 253494185 WSDTXLMDIVZZPG-LBPRGKRZSA-N 303.793 2.924 0 50 DFAA Cc1c(Cl)c(C(=O)NC[C@H](C)N(C)c2ccccc2)nn1C 215891475 ZNZUJOOKSAAASR-NSHDSACASA-N 320.824 2.637 0 50 DFAA COc1ccc(F)cc1C(=O)Nc1c[nH]nc1-c1nccs1 355517000 FJQDILFBCXCGIP-UHFFFAOYSA-N 318.333 2.933 0 50 DFAA C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N(C)Cc1ccccc1 253410492 CWUNWQWDAPJHFQ-HNNXBMFYSA-N 310.397 2.865 0 50 DFAA CC[C@@H](c1nn2c(Cc3ccccc3)nnc2s1)n1cccn1 71749293 BILUJHMELDLWTB-ZDUSSCGKSA-N 324.413 2.973 0 50 DFAA Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)C2 257365528 JLXRZXBFMPTMME-JYJNAYRXSA-N 301.434 2.839 0 50 DFAA CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)C[C@H]1O 332160023 QQJJENFSYNOIPF-UTUOFQBUSA-N 322.371 2.766 0 50 DFAA Cc1cc(C)n(-c2cncc(N3CCC[C@H]3c3cc(C)on3)n2)n1 365392870 UFRISQCUMVGRLC-HNNXBMFYSA-N 324.388 2.917 0 50 DFAA COC[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)cc1 219601418 OAKNICRVBCAXRF-NVXWUHKLSA-N 302.418 2.832 0 50 DFAA C[C@@H]1C[C@H](NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c2nccn21 333226886 XGLFRTOBTMEBRE-NMNXUWDSSA-N 314.433 2.967 0 50 DFAA COc1ccccc1/C=C/C(=O)N1CCC[C@H](CCC(=O)O)C1 237083888 GGCIHZAHJGQNQZ-ATWMFIQVSA-N 317.385 2.812 0 50 DFAA CNC[C@@H]1CCCN(C(=O)CCOc2cccc(C)c2C)C1 237170197 KKPFLTGSHKPYBT-INIZCTEOSA-N 304.434 2.530 0 50 DFAA COc1ccc(OC)c(CN2CC[C@@]3(CCCO3)CCC2=O)c1 72135399 XLIAXTZOUBLNSG-GOSISDBHSA-N 319.401 2.766 0 50 DFAA Cc1cc2cc(CNC(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc2[nH]1 334093692 PTQCITQSROZJGU-CYGHRXIMSA-N 323.396 2.571 0 50 DFAA Cc1ncsc1CCN(C)C(=O)Cc1noc2ccccc12 215372372 SBPLBBPROVPAJD-UHFFFAOYSA-N 315.398 2.836 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nc3ccccc3[nH]2)c1 337403551 LQHWHOAOAPINIP-RDTXWAMCSA-N 323.396 2.879 0 50 DFAA CC(C)n1cnc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c1 241961329 URNYDFGYRRGRLJ-AWEZNQCLSA-N 301.346 2.532 0 50 DFAA CCOC(=O)c1ccc(F)c(C)c1NC(=O)[C@@H]1CCCCO1 242284671 YITAPGKYYUNBTI-ZDUSSCGKSA-N 309.337 2.818 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286138596 GHSQOKLBLIFEEA-XHSDSOJGSA-N 323.820 2.650 0 50 DFAA C[C@@H]1CCCN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)C1 175540551 DMSPUFJBZKNPSX-CYBMUJFWSA-N 321.490 2.712 0 50 DFAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccc(F)cc2)n1 48327158 VOHRHTFBGUOJAZ-UHFFFAOYSA-N 311.364 2.961 0 50 DFAA CCc1cccc(CN2CCC[C@H](N(C)CC(=O)O)CC2)c1 263572840 LMQWVODOCOIAAQ-KRWDZBQOSA-N 304.434 2.620 0 50 DFAA O=C(c1cccc(C(F)F)c1)N1CCC[C@H](Cn2ccnn2)C1 178737842 IIVPMDJYYUHGEK-LBPRGKRZSA-N 320.343 2.768 0 50 DFAA O=C(Nc1ccc(O)cc1)C1(C(=O)Nc2ccc(F)cc2)CC1 91301352 FSFMBVMXIPQPMJ-UHFFFAOYSA-N 314.316 2.889 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCn2cccc2[C@@H]1C 179399743 ALNHJFUUAWYSCM-RISCZKNCSA-N 300.406 2.925 0 50 DFAA CCCSc1ccc(NC(=O)N2CCC[C@H](C(N)=O)C2)cc1 96163979 SNYKLYZIONXBQH-LBPRGKRZSA-N 321.446 2.918 0 50 DFAA Cc1csc(CN(C)C(=O)[C@@H]2COc3ccccc3C2)n1 95500635 QTDGAAYCNFTTGD-ZDUSSCGKSA-N 302.399 2.661 0 50 DFAA CC(C)(C)N1C[C@H](C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)CC1=O 344112394 IVZILXFLAJGOAZ-WJTFHPDPSA-N 318.461 2.671 0 50 DFAA CN1CCC[C@@H]1CCN1CCC(OCc2ccccn2)CC1 244719156 LXZHUIYGEAFTGD-QGZVFWFLSA-N 303.450 2.547 0 50 DFAA CC[C@H](NC(=O)c1cnc2ccc(C)cc2c1O)[C@H]1C[C@@H](O)C1 253534947 ZBYLZSWJDGPVSS-ZOWXZIJZSA-N 314.385 2.528 0 50 DFAA O=C(NCCCOC1CCCC1)N1CC(c2ccncc2)C1 534673890 SMIXSTARBMWIEY-UHFFFAOYSA-N 303.406 2.540 0 50 DFAA CN(C)C(=O)Cn1cc(Cl)c2cc(C(F)(F)F)cnc21 263639914 OFZSHPVYQMMYIJ-UHFFFAOYSA-N 305.687 2.797 0 50 DFAA O=C(Nc1cnn2c1NCCC2)c1c[nH]nc1C1CCCCC1 1940195976 ZRTIPFWMBNEFDP-UHFFFAOYSA-N 314.393 2.722 0 50 DFAA CCN(CCn1cccn1)C(=O)Nc1ccc(C(C)=O)cc1 299787950 UDMGFMROTPADJX-UHFFFAOYSA-N 300.362 2.640 0 50 DFAA CC(=O)N1CCC(C(=O)Nc2ccc3oc(C)cc3c2)CC1 827754892 YJZXVYGJLGJBGA-UHFFFAOYSA-N 300.358 2.938 0 50 DFAA CN(Cc1cnc(NCc2ccccc2)nc1)Cc1ccon1 823719887 XCLKBRQVPCICCO-UHFFFAOYSA-N 309.373 2.709 0 50 DFAA CN(Cc1ccco1)C(=O)NCCc1nc2c(s1)CCC2 584892609 ZBJKYVONVQOMIU-UHFFFAOYSA-N 305.403 2.609 0 50 DFAA O=C(c1cccc2c1NCCC2)N1CCC(Cn2ccnc2)CC1 584890211 UAYDFGMWKXBHDY-UHFFFAOYSA-N 324.428 2.794 0 50 DFAA O=C(O)c1n[nH]cc1CN1CC[C@@H](c2cccc(Cl)c2)C1 670471441 JZOWKAIQZGKODQ-LLVKDONJSA-N 305.765 2.751 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCCCn2nc(C)c(C)c2C)n1 670434046 BTWPEHYQUZSDFG-ZDUSSCGKSA-N 303.454 2.690 0 50 DFAA Cc1nc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)s1 408207756 XXEWIMDLXBSPCI-HOTUBEGUSA-N 309.435 2.639 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H]2[C@H](C)C2(F)F)n[nH]1 408223347 IFUFUKLLKPJCRR-GARJFASQSA-N 312.364 2.883 0 50 DFAA O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NS(=O)(=O)c1sccc1Cl 408499736 OQMSZTTXFQXHMP-HRDYMLBCSA-N 319.835 2.643 0 50 DFAA O=C(O)c1ccc(F)c2c1CN(C(=O)[C@]13CCC[C@@H]1C3)CC2 630242298 ZJGIRSIIAKHJEQ-QGHHPUGFSA-N 303.333 2.599 0 50 DFAA CN(C)c1ncc(CNC(=O)c2csc3ccccc23)cn1 170080045 QFLZMNCVBOLABH-UHFFFAOYSA-N 312.398 2.687 0 50 DFAA O=C(O)c1ccn(-c2ccccc2NC(=O)[C@@H]2C[C@H]2C2CC2)n1 170066405 BCCYWVIZVQYTKM-NWDGAFQWSA-N 311.341 2.555 0 50 DFAA CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1 170864789 SCIMPCAHNVMBNU-CYBMUJFWSA-N 303.793 2.664 0 50 DFAA Fc1cc(Nc2ncnc3c2CCC3)ccc1N1CCOCC1 728200744 DNSMBCPKNFITND-UHFFFAOYSA-N 314.364 2.685 0 50 DFAA CCN1C[C@@H](c2nc(-c3c(F)cccc3SC)no2)CC1=O 1615571274 HOBMJJWJEDHGEY-VIFPVBQESA-N 321.377 2.933 0 50 DFAA Cc1nc2cc(NC(=O)c3ccnc4ccnn34)ccc2s1 1617315781 KYPSQJDVHMISEL-UHFFFAOYSA-N 309.354 2.900 0 50 DFAA COCCOc1ccc(CNC2CSCCSC2)cc1 1506415383 BHEUFZLIIMNYFE-UHFFFAOYSA-N 313.488 2.650 0 50 DFAA CCCN(CC(=O)O)C(=O)c1ccc(Cl)c(N)c1Cl 455789795 PFEFCAWMQIMALN-UHFFFAOYSA-N 305.161 2.512 0 50 DFAA COC[C@H]1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1 353766584 KLAFNNZIEFZGCD-QMMMGPOBSA-N 308.325 2.661 0 50 DFAA N[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)C1 247703214 BJWBRBULRATNAN-IUCAKERBSA-N 306.715 2.968 0 50 DFAA COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1 5733537 RJCJVIFSIXKSAH-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vitro O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNC1CCCC1 11947281 XUSOHJPFBLRAIX-LJQANCHMSA-N 322.493 2.843 0 50 DFAA O=C(CC[C@@H]1CCCN(C(=O)C2=CCCC2)C1)N1CCCC1 12298608 PRNRSKSPPJDPJA-HNNXBMFYSA-N 304.434 2.738 0 50 DFAA Cc1ccnc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1 12864793 OIRZZNSXOCVUOK-UHFFFAOYSA-N 303.406 2.613 0 50 DFAA CCCN1CCC(NC(=O)[C@H](CC)Oc2ccc(F)cc2)CC1 16604728 XKUQGAKYVCBKIY-KRWDZBQOSA-N 322.424 2.974 0 50 DFAA Cc1cc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)ccc1C(C)C 16662237 RZTWRRSTEYBCQR-BBWFWOEESA-N 321.461 2.967 0 50 DFAA CC[C@@H]1C[C@@H](C(=O)N2Cc3ccccc3OC[C@@H]2C)CC(O)=N1 329761673 RSQUNCINWMAQSS-NWANDNLSSA-N 316.401 2.941 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2ccoc2C)c1 331570802 KHEYCYKQYXHANS-CJNGLKHVSA-N 301.342 2.545 0 50 DFAA CN(C)C(=O)CCNC(=O)c1ccccc1NC1CCCCC1 239591313 BAVUYAXTFPJODQ-UHFFFAOYSA-N 317.433 2.639 0 50 DFAA Cc1cccc(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)n1 264322337 QQTGECYNCYBWRD-SFHVURJKSA-N 323.440 2.684 0 50 DFAA O=C(NCC1(C2CC2)CCC1)N1CCO[C@H](c2ccco2)C1 162856437 WENYJESKKJOSKZ-HNNXBMFYSA-N 304.390 2.943 0 50 DFAA Cc1ccc([C@H](CNc2ncc(Cl)cn2)N2CCOCC2)o1 267091972 MTQXOOFOOXMARF-ZDUSSCGKSA-N 322.796 2.517 0 50 DFAA Cc1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C(=O)O)c1C 909798734 BSHPDEUNBSJCRB-GVDBMIGSSA-N 324.380 2.744 0 50 DFAA CC(C)(C)n1cnc(NC(=O)Nc2cnn(C3CCC3)c2)n1 930800407 VTTBNAOGMIMXQT-UHFFFAOYSA-N 303.370 2.599 0 50 DFAA FCCn1nc(-c2ccccc2)nc1-c1cccc2nn[nH]c12 1875348526 UMLDIGKECHHKFB-UHFFFAOYSA-N 308.320 2.853 0 50 DFAA Clc1ccc2nc(NCc3n[nH]c4c3COCC4)cnc2c1 1775990429 MFQHWPXZRBBXAD-UHFFFAOYSA-N 315.764 2.691 0 50 DFAA CC(=N)N[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 1857800338 BWMHQENWQSGKCG-JTQLQIEISA-N 308.596 2.699 0 50 DFAA O=C(O)[C@@H]1CS[C@@H](c2ccco2)N1C(=O)CC1=CCCC1 2325812836 LQTIWWRKOZAKSM-FZMZJTMJSA-N 307.371 2.807 0 50 DFAA O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 43068 NILIJVSKRWTEBO-NSHDSACASA-N 316.307 2.956 0 50 DFAA O=C(CSc1nnc(-c2ccccc2)o1)N1CCCCC1 421840 SQHWEFMUJHRRBR-UHFFFAOYSA-N 303.387 2.841 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc(F)cc1 783776 PQPBZISDMNGHOP-INIZCTEOSA-N 319.719 2.892 0 50 DFAA Cc1nnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 2846706 AXDYDNYGPCOEQH-UHFFFAOYSA-N 303.387 2.533 0 50 DFAA CCCCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12 2865685 NNERIYHMQXNJBX-UHFFFAOYSA-N 318.325 2.986 0 50 DFAA CCOC(=O)CCC(=O)Nc1cc(-c2ccc(C)cc2)n[nH]1 6194844 ADFDHAPOESFCKJ-UHFFFAOYSA-N 301.346 2.667 0 50 DFAA O=C(N[C@H]1CCCOc2ccccc21)[C@H]1CCCc2[nH]ncc21 134217063 PLRPWOKCZNHFQA-WFASDCNBSA-N 311.385 2.860 0 50 DFAA CCCC(=O)N1CCC(c2nc([C@](C)(OC)C3CC3)no2)CC1 350461178 NUFVTWFSNGVKQS-QGZVFWFLSA-N 321.421 2.847 0 50 DFAA CCCCOc1ccc(Cl)cc1C(=O)N1CCN(C)CC1 25557577 IZEIRVLMYYIVMT-UHFFFAOYSA-N 310.825 2.907 0 50 DFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](C(C)C)N(C)C 229431951 JPNHBXSTKDXAHI-JYJNAYRXSA-N 304.434 2.501 0 50 DFAA C[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 252586852 TYMUIHIUBWATRO-LXTVHRRPSA-N 312.454 2.525 0 50 DFAA Cc1cc(NC(=O)CN2CCCC2=O)cc(C(F)(F)F)c1 252508853 XVVZFPYIJLISIL-UHFFFAOYSA-N 300.280 2.575 0 50 DFAA O=C(CSc1ccncc1)NCCNC1CCCCCC1 121249936 WAOFGZGUCKRIFO-UHFFFAOYSA-N 307.463 2.602 0 50 DFAA CC(C)N1CCN(C(=O)Cc2ccncc2)Cc2ccccc21 328587123 MHISESPGPBLFBE-UHFFFAOYSA-N 309.413 2.881 0 50 DFAA CC(C)=CC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 11843786 LNOFLNFFFZSEIO-GOSISDBHSA-N 305.393 2.936 0 50 DFAA Cc1nn(-c2ccccc2)c(N)c1-c1cc(N)nc2[nH]ccc12 72152331 PKHYDLSDWHIXRC-UHFFFAOYSA-N 304.357 2.888 0 50 DFAA COc1ccc([C@@H]2CNCCN2C(=O)c2cccs2)cc1 257332816 XYULKSXOWPDIMB-AWEZNQCLSA-N 302.399 2.543 0 50 DFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)on1 77299210 OMLXSDXCLQQDMV-LBPRGKRZSA-N 302.378 2.616 0 50 DFAA O=C(C1=COCCC1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 365168794 PJOCCRYAMOIGOK-QGZVFWFLSA-N 319.376 2.792 0 50 DFAA CN(Cc1cnc(-c2ccco2)nc1)Cc1n[nH]c2c1CCCC2 215284145 POGSEQAYUUMWCN-UHFFFAOYSA-N 323.400 2.971 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C)c1 126273055 NVNHBMXHUGWWTC-CABCVRRESA-N 322.474 2.515 0 50 DFAA COc1ccc(C[C@H](C)C(=O)NC2CCC(C(=O)O)CC2)cc1 262685118 YCNWLSDGGPUJMT-GRTSSRMGSA-N 319.401 2.633 0 50 DFAA Cc1cc(CC(=O)N(C)Cc2cc(-c3ccccc3)no2)on1 216261408 XSQPDMHRNYNLIC-UHFFFAOYSA-N 311.341 2.839 0 50 DFAA COc1cc(CN2CC(C(=O)O)C2)c(Cl)cc1OC(C)C 215438069 DOQCTPDCNJIMBQ-UHFFFAOYSA-N 313.781 2.652 0 50 DFAA C[C@H]1CN(c2cc(-c3ccccc3)nc3ccnn23)CCN1C 72148585 RXDKLRDSBZGFMT-AWEZNQCLSA-N 307.401 2.537 0 50 DFAA COc1ccc(CN2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1C(=O)O 71771167 OIAIFOJKMYYHSL-SDSIWUNFSA-N 301.386 2.871 0 50 DFAA COc1cccc(-c2cccc(CN3CCOC[C@H](O)C3)c2)c1 77470425 GXYXAYOVQXUWEJ-GOSISDBHSA-N 313.397 2.555 0 50 DFAA CSCCC(=O)N1CC[C@@H](Cc2ccc(C(=O)O)cc2)C1 72476228 GMIBIORTOOUGNA-ZDUSSCGKSA-N 307.415 2.529 0 50 DFAA CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2CCO)cc1 455795514 MPNCMXIWCDCQRS-OAHLLOKOSA-N 304.390 2.904 0 50 DFAA CC1(C)COc2c(C(=O)N3CC[C@H](OC(F)F)C3)cccc21 606444065 RBTHCMKBAVPKOS-JTQLQIEISA-N 311.328 2.810 0 50 DFAA CCc1cccc(F)c1CN1CCC[C@@H](N(C)CC(=O)O)CC1 263533894 YCXCIZPAGNSGDM-OAHLLOKOSA-N 322.424 2.759 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)NCCCc3ccccc3)C2)n1 426618056 CLLJWIVVRUXYCD-UHFFFAOYSA-N 312.417 2.699 0 50 DFAA Nc1nc(-c2ccc(F)c3cccnc23)cc(N2CCCC2)n1 426423384 KZDBDRFMDSEINB-UHFFFAOYSA-N 309.348 3.013 0 50 DFAA O=C(c1ccc(-c2cc3ccccc3o2)nc1)N1CCOCC1 97360271 UMRNPJJTQDASFY-UHFFFAOYSA-N 308.337 2.967 0 50 DFAA COCCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(C)oc2C)C1 91487105 KKXVAUGYPLSBDI-QGZVFWFLSA-N 323.389 2.630 0 50 DFAA O=C(O)c1ccc([C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 95362029 OTAOXOLVEWPHMZ-INIZCTEOSA-N 310.353 2.800 0 50 DFAA OCCn1nc(Cc2cccc(Cl)c2)nc1CC(F)(F)F 97805513 BLHVYIZMFBOQLQ-UHFFFAOYSA-N 319.714 2.619 0 50 DFAA CCOc1ncccc1CNC(=O)c1ccccc1-c1ncc[nH]1 97797735 PINGYRWAHLXTEO-UHFFFAOYSA-N 322.368 2.800 0 50 DFAA O=C1C[C@@H](c2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 95522753 ZVSGHJACBUCKSR-OAHLLOKOSA-N 320.352 2.648 0 50 DFAA Cc1[nH]nc(CCC(=O)NC[C@H](C)N(C)c2ccccc2)c1C 97578484 GJTZVQPLUNQSDC-ZDUSSCGKSA-N 314.433 2.600 0 50 DFAA Cc1nccn1CCCN(C)CCc1nc2cc(F)ccc2[nH]1 240971689 UBEFTJFCZVBANE-UHFFFAOYSA-N 315.396 2.772 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)c2ccn(C(C)C)n2)cc1 265056285 QLONZUNOWZOWAM-UHFFFAOYSA-N 314.389 2.855 0 50 DFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CN)O3)n1 299780238 AMJPRZOWFOIKDJ-JTQLQIEISA-N 307.806 2.781 0 50 DFAA CCn1nc(C)c([C@H](C)NC(=O)c2cnc(C3CC3)nc2)c1C 584896876 PEBFXIRJHLSYJR-JTQLQIEISA-N 313.405 2.678 0 50 DFAA CCC[C@]1(CO)CCN(CCOc2ccc(C)cc2C)C[C@H]1O 1529169007 PWSBYGALAKUIPU-RTBURBONSA-N 321.461 2.528 0 50 DFAA O=C(NCC1CCN(C[C@@H]2CCCOC2)CC1)c1ccccc1 952860150 GMSHLFSOGSGIHB-KRWDZBQOSA-N 316.445 2.555 0 50 DFAA Cc1nc(C(=O)NC2(c3ccccc3)CCOCC2)cs1 952978298 KWADUCKSCCXUGR-UHFFFAOYSA-N 302.399 2.887 0 50 DFAA CC(C)C(=O)O[C@H](C(=O)O)c1ccc(Br)cc1 90760631 RWHIJSKRSRZFNL-JTQLQIEISA-N 301.136 2.774 0 50 DFAA in-vitro Cc1ncc(/C=C\C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)s1 268950856 SWKJWBGZMPMNOI-BXLATTBBSA-N 320.414 2.709 0 50 DFAA CC[C@H](CCO)CNc1nc(-c2cccnc2)nc2c1CCC2 269044221 NRVJNEQLVZBFDQ-CYBMUJFWSA-N 312.417 2.848 0 50 DFAA CC(C)(C)OC(=O)N1C(=O)C=C(O)[C@@H]1Cc1ccccc1F 100088782 PMKRCJVZCGPUAX-LBPRGKRZSA-N 307.321 2.956 0 50 DFAA in-vitro O=C(c1cc2sccc2[nH]1)N1CC[C@@H](Oc2cccnc2)C1 189908984 DMRPBVRNKCEWON-GFCCVEGCSA-N 313.382 2.918 0 50 DFAA COCc1ccsc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 191204016 HDSQOBJUPABBKL-NSHDSACASA-N 311.403 2.612 0 50 DFAA CC(C)Oc1ccc(CCNC(=O)c2nnc(C3CC3)o2)cc1 585122133 OJTJJFZPYXAYFA-UHFFFAOYSA-N 315.373 2.707 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)c1nc(COCC(F)(F)F)no1 680667577 CYEJWBFVCBYUEF-ZETCQYMHSA-N 318.299 2.651 0 50 DFAA CC(C)c1cc(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)[nH]n1 194411833 QBQMDWPEQFJNFV-JTQLQIEISA-N 318.343 2.746 0 50 DFAA C[C@@H]1CN(Cc2ccn3ncnc3c2)C[C@@H](c2ccsc2)O1 1615553587 XESBEHXGLIVKHU-DOMZBBRYSA-N 314.414 2.753 0 50 DFAA COc1ccc(CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 5027174 NDXGZBACONEUGK-UHFFFAOYSA-N 304.434 2.663 0 50 DFAA O=C(O)C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCCCC1 5042077 DMLWUHZRWGUUDF-ZDUSSCGKSA-N 310.781 2.608 0 50 DFAA CCCC1=C(C(=O)OCC)[C@H](c2ccco2)n2ncnc2N1 18140704 GXGWEZIYALIBDX-ZDUSSCGKSA-N 302.334 2.503 0 50 DFAA C[C@H](NC(N)=O)C(=O)N1CCCCC[C@H]1C=Cc1ccccc1 1857533282 BDNIDANCTZWQOH-HOCLYGCPSA-N 315.417 2.528 0 50 DFAA Cc1sc2ncnc(N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)c2c1C 1857720697 FTDVYPBGHBLTNL-BIMULSAOSA-N 318.446 2.582 0 50 DFAA C[C@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(F)cc1F 225459320 QUDLODDXVQAVSW-GFCCVEGCSA-N 323.387 2.558 0 50 DFAA CCOc1cccc2cc([C@H](C)NC[C@@]3(O)CCOC3)oc12 225549671 JIJIPGJAPDMTIV-SJCJKPOMSA-N 305.374 2.634 0 50 DFAA CC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 226091370 OUCBSMSNQWPDLJ-UHTWSYAYSA-N 301.342 2.538 0 50 DFAA N[C@@H]1CCc2ccccc2N(Cc2cc(CO)ccc2F)C1 629548138 CYFSLANSXYXPAW-MRXNPFEDSA-N 300.377 2.598 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 238084820 ZJCYSWCUDXGAHH-AWEZNQCLSA-N 313.353 2.812 0 50 DFAA CC(C)Cc1nc(=NCc2c(C(F)(F)F)cnn2C)s[nH]1 585091665 KVDRQKNZESVZMJ-UHFFFAOYSA-N 319.356 2.523 0 50 DFAA CCn1ncc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1C(F)(F)F 905065668 QNHHDRUSODZQAP-KOLCDFICSA-N 317.311 2.675 0 50 DFAA Cc1nc(CN2CCC[C@H]2c2cncc(Br)c2)no1 932255644 MBZKDBCQHYYKLH-LBPRGKRZSA-N 323.194 2.873 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1CC(=O)O 1857779378 KXMCMLWTHNDTSG-MXWKQRLJSA-N 301.383 2.558 0 50 DFAA C=CS(=O)(=O)CCC(=O)Nc1ccc(-c2ccccn2)cc1 952878857 DKGDNHUFVZHDPH-UHFFFAOYSA-N 316.382 2.636 0 50 DFAA NC(=O)N1CCCc2ccc(N[C@@H]3COC4(CCC4)C3)cc21 894091442 DFMQNNZVEWCALH-AWEZNQCLSA-N 301.390 2.641 0 50 DFAA CC1(C)C[C@H](c2nc(-c3nc(=N)cc[nH]3)no2)c2ccccc2O1 896311822 IZBXNQCKQXZLLZ-NSHDSACASA-N 323.356 2.632 0 50 DFAA O=C(CSc1ccccc1)Nc1nonc1-n1cccc1 4686803 PEUABUFQBXEZKC-UHFFFAOYSA-N 300.343 2.591 0 50 DFAA O=C(O)c1ccn(C2CCN(Cc3cccc(F)c3)CC2)n1 2325773125 VPUAQMPMJCLKRF-UHFFFAOYSA-N 303.337 2.558 0 50 DFAA O=C(c1ccc2c(c1)NCCCN2)N1CC[C@@H]2OCCC[C@@H]2C1 2325812142 YKOSZTWKNHDDAE-PBHICJAKSA-N 315.417 2.555 0 50 DFAA CC(C)(C)[C@@H](C(=O)N1CC(c2ccccc2)C1)N1CCCC1=O 2325813182 UGAMIOYEKUDTOE-QGZVFWFLSA-N 314.429 2.650 0 50 DFAA CCO[C@@H]1CCCN(c2cc(Cl)c3c(C)nn(C)c3n2)C1 891999184 XYCXRRPXXJKCQF-LLVKDONJSA-N 308.813 2.935 0 50 DFAA C[C@@H]1COC[C@H]1NCCCc1nc(-c2ccncc2)cs1 925410266 YZIUZCINDVTPLV-TZMCWYRMSA-N 303.431 2.762 0 50 DFAA O=C(c1ccccc1)[C@H](CC(=O)N1CCOCC1)c1ccccc1 35127 YYUWCCHHBUPACL-GOSISDBHSA-N 323.392 2.902 0 50 DFAA COc1cc(C)nc(Oc2ccc(OCc3ccccc3)nn2)n1 181127 KVZQTTLVESYLNQ-UHFFFAOYSA-N 324.340 2.955 0 50 DFAA Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)c1 565212 RDDSXDCLKRBLIT-IBGZPJMESA-N 309.365 2.740 0 50 DFAA CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 1624297 XVDVKVXKCKDGJX-UHFFFAOYSA-N 304.367 2.837 0 50 DFAA O=C(O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 4953401 GQNZKOPOHUCJOB-UHFFFAOYSA-N 324.130 2.922 0 50 DFAA CCOc1ccc(Br)cc1S(=O)(=O)NC(C)C 6314622 HTIDWIZSIOIYQQ-UHFFFAOYSA-N 322.224 2.535 0 50 DFAA O=C(NCc1cccnc1)C1CCN(C[C@@H]2CC=CCC2)CC1 6675359 ZOUJPILUEYXPPC-MRXNPFEDSA-N 313.445 2.766 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740027 DZPFEWGWAYBWQF-ZDUSSCGKSA-N 318.417 2.918 0 50 DFAA CSc1ccc2c(C)cc(NCCS(C)(=O)=O)nc2c1 55109229 AGDGUYZTMSAZDF-UHFFFAOYSA-N 310.444 2.722 0 50 DFAA Cc1ccc(C)c(SCc2noc([C@H]3CC(=O)N(C)C3)n2)c1 225588547 AQQWDXWVUCBMFK-LBPRGKRZSA-N 317.414 2.924 0 50 DFAA O=C(Nc1ccnn1C1CCN(CC2CCC2)CC1)C1CC1 67803729 WZMSDSULGKZVNG-UHFFFAOYSA-N 302.422 2.669 0 50 DFAA c1cc(CN[C@@H]2COc3ccccc3C2)cc(-n2cccn2)c1 20911064 RNWPLEKGTIDCNM-KRWDZBQOSA-N 305.381 2.966 0 50 DFAA CC(C)(C)C(=O)NCC[C@H]1CN(Cc2ccccc2F)CCO1 67909556 JKNWNZGWPBYXID-HNNXBMFYSA-N 322.424 2.579 0 50 DFAA O=C(NCc1nnc2ccccn12)[C@H](c1ccccc1)C1CC1 120746613 UMMJTGQTPXUMNR-QGZVFWFLSA-N 306.369 2.539 0 50 DFAA O=C(c1ccccc1O)N1N=CC[C@]1(O)c1ccc(Cl)cc1 276637 MIIGZHROVKJWCB-INIZCTEOSA-N 316.744 2.723 0 50 DFAA COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1 533324 IPWBBJIHIFSEKM-UHFFFAOYSA-N 312.354 2.905 0 50 DFAA Cc1cc(C)n(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1 2778183 IPDNVUUYVBMGSZ-UHFFFAOYSA-N 312.295 2.933 0 50 DFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCc1ccco1 77299050 JHKCQQBEQSLEAO-KRWDZBQOSA-N 312.413 2.727 0 50 DFAA CC(C)n1ccnc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281624618 HTMWGZMAIOAXKD-HOTGVXAUSA-N 303.381 2.911 0 50 DFAA Cc1cc(C)n2ncc(CN(C)CC[C@@H](O)c3ccccc3)c2n1 216479424 QIDNIKKSLSICHK-GOSISDBHSA-N 324.428 2.902 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)N2CCCCCC2)C1 6738339 RRBMGDPWKAHNCW-MRXNPFEDSA-N 302.374 2.591 0 50 DFAA Cc1ccc(-n2cnnc2)c(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1 329487713 GUCWJSKUDKBFHV-XJNFMUPTSA-N 322.412 2.694 0 50 DFAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnccn3)[nH]c2c1 77354695 LXFYBODAMKNPET-OAHLLOKOSA-N 307.357 2.639 0 50 DFAA CS(=O)(=O)C1(CNC2CC(c3cccc(F)c3)C2)CCC1 253429853 VKBPIGLDSJZMQU-UHFFFAOYSA-N 311.422 2.629 0 50 DFAA Cc1cc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)no1 332332858 ZERLRSCBVFAOQA-CQSZACIVSA-N 300.406 2.693 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCOC[C@@H](C2CCC2)C1 366545833 RFXXXFZNJTZUOB-ZDUSSCGKSA-N 311.857 2.884 0 50 DFAA C[C@H](c1ccc(-c2cc3nncn3c(N)n2)cc1)N1CCCCC1 215147158 CLBPNZIISOEPCT-CYBMUJFWSA-N 322.416 2.920 0 50 DFAA CN1C[C@]2(CCCN(C(=O)Nc3ccccc3)CC2)OC1=O 72140192 OCJAOIZKCTXJON-MRXNPFEDSA-N 303.362 2.525 0 50 DFAA O=C(/C=C/c1cccc(O)c1)NCCC[C@H]1CCCC[C@H]1O 156451781 GNGDFISDQVNCBF-GSSPJMICSA-N 303.402 2.853 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](CCCO)C1 457120932 RAZROLFQIIRIRF-LSDHHAIUSA-N 305.418 2.810 0 50 DFAA C[C@H](NC1CCC2(CC1)OCCO2)[C@@H]1COc2ccccc21 156920274 JCELRQFGQIDKIR-BBRMVZONSA-N 303.402 2.826 0 50 DFAA c1ccc(-c2ncc(CN3CC[C@H](N4CCCCC4)C3)cn2)nc1 216143240 DHZWPAXKCLACSZ-KRWDZBQOSA-N 323.444 2.599 0 50 DFAA CN(C)c1cccc(C(=O)N2CCOC3(CCCCC3)C2)c1 174376744 CFPSSTDUECRAEB-UHFFFAOYSA-N 302.418 2.928 0 50 DFAA CC(C)(N)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72475813 JWYQCFHWCQPRGY-UHFFFAOYSA-N 316.367 2.726 0 50 DFAA O=C(NC[C@H]1COc2ccccc21)N1CCOC2(CCCC2)C1 289338682 DWBVRDMHZAMUPG-AWEZNQCLSA-N 316.401 2.517 0 50 DFAA O=C1CCC[C@@H](Cc2nc(Cc3cccc(Cl)c3)no2)N1 289581359 GBKJGQPAKYZVTA-LBPRGKRZSA-N 305.765 2.525 0 50 DFAA CSCc1ccc(C(=O)N2CCC(c3ncon3)CC2)o1 426395401 PHLVFZJMXSRGMO-UHFFFAOYSA-N 307.375 2.545 0 50 DFAA COc1ccccc1CNC(=O)c1c(C)c2ccccc2[nH]c1=O 145276548 KPOXKAHJCYFJSN-UHFFFAOYSA-N 322.364 2.775 0 50 DFAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@@H]2CCNC2)s1 97295185 CODWUIWXDDXNEU-OAHLLOKOSA-N 315.442 2.590 0 50 DFAA Cc1ccnc2c(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc12 239173704 OMDOANCHDHLPKH-YXAMBPQSSA-N 304.349 2.855 0 50 DFAA CCn1c(CN2CCCCCCCC2)nnc1[C@H]1C[C@H](N)C1 244811639 SIGCNXCWRFEBAF-SHTZXODSSA-N 305.470 2.659 0 50 DFAA COc1nccc(CN2CCN(C)c3cc(Cl)ccc32)n1 626166252 QRZBVJJWNQSNAH-UHFFFAOYSA-N 304.781 2.595 0 50 DFAA CCC(CC)n1ncc(C)c1NC(=O)N(C)CCn1ccnc1 299794535 KGASIXMBKWZUJX-UHFFFAOYSA-N 318.425 2.913 0 50 DFAA COc1ncc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cn1 824851780 GINBRUNECINBKW-KRWDZBQOSA-N 313.401 2.666 0 50 DFAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCc1cnc[nH]1 827802433 KYFRAZGDQUFTNG-INIZCTEOSA-N 309.369 2.884 0 50 DFAA O=CN1CCCN(Cc2cc3ccnc(Cl)c3s2)CC1 585136626 NGQNPIVSZDSBLY-UHFFFAOYSA-N 309.822 2.614 0 50 DFAA Fc1ccc2nc[nH]c2c1CNc1ncnc2c1ncn2C1CC1 585132667 KLBQPBHWIINSID-UHFFFAOYSA-N 323.335 2.789 0 50 DFAA CN1C(=O)CCC12CCN(Cc1cccc(O)c1Cl)CC2 670449809 CGKCDKQJUFZCAT-UHFFFAOYSA-N 308.809 2.632 0 50 DFAA CCN1CCCC[C@@H]1CNc1ccc(C(=O)N2CCCC2)cn1 670455290 PGLPZMIFBNWGLJ-MRXNPFEDSA-N 316.449 2.604 0 50 DFAA O=C(NC[C@H]1CCCN(c2ccncc2)C1)c1ccsc1 952989307 QKRXIGCXFDYQQZ-CYBMUJFWSA-N 301.415 2.790 0 50 DFAA Cc1cc(C)c(CNC(=O)NCCC[Si](C)(C)C)c(O)n1 408524475 UYKMQFCOMMSBBO-UHFFFAOYSA-N 309.486 2.932 0 50 DFAA O=C(NCCO)c1cccc(NCc2cc(F)ccc2Cl)c1 170603032 MRRZDFGDRYNEBE-UHFFFAOYSA-N 322.767 2.813 0 50 DFAA COc1cc(OC)cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c1 188705125 ZKWCNDDZGNLLJU-WBMJQRKESA-N 321.417 2.885 0 50 DFAA COC1(OC)CC2(CN(C(=O)[C@H](C)CSC)[C@@H]2C(C)C)C1 585130314 MUDWLIBOZUFDNT-CHWSQXEVSA-N 315.479 2.622 0 50 DFAA COc1cc(F)c(CN2CCC[C@H]2CN2CCCC2)cc1OC 651625020 QWKGSJOTRUMVKZ-HNNXBMFYSA-N 322.424 2.903 0 50 DFAA O=C(c1cncc(NC/C=C/c2ccccc2)n1)N1CCCC1 1166065779 VIKABKDOTWJKOG-RMKNXTFCSA-N 308.385 2.838 0 50 DFAA FC(F)(F)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1c1nc(-c2cccnc2)no1 1615552249 SPUGBGDXOHBBND-ZNSHCXBVSA-N 311.263 2.955 0 50 DFAA c1ccc(CN2CCO[C@H]3CN(CC4CCCC4)C[C@H]32)cc1 225328558 YJIMTPBCTDLMAN-MOPGFXCFSA-N 300.446 2.762 0 50 DFAA Cc1cc(Br)cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1 135347052 RGMJWAHLJBMDKZ-GWCFXTLKSA-N 312.207 2.600 0 50 DFAA Cc1noc(C2CCN(c3cc(Br)ccn3)CC2)n1 241383337 MUKOECVVNBYOFK-UHFFFAOYSA-N 323.194 2.920 0 50 DFAA CO[C@@H](CN)CC(=O)N[C@H](C)c1cccc(Cl)c1Cl 262838253 IPPVJKMOFAPOCO-RKDXNWHRSA-N 305.205 2.534 0 50 DFAA Cc1cc([C@@H]2CCCCN2C(=O)c2onc3ncccc23)no1 1775979558 WTTGVUJVURELED-ZDUSSCGKSA-N 312.329 2.887 0 50 DFAA CCc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)cc1 5023955 RIFRIYWFXVKLPG-UHFFFAOYSA-N 313.309 2.898 0 50 DFAA CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H](N(C)C)C3 11839838 GDIYEKLAYYFUOP-LBPRGKRZSA-N 319.474 2.923 0 50 DFAA Cc1cc(N2CCCCCC2)n2nc(-c3cccnc3)nc2n1 16489752 KJZDXLVJIPUVTA-UHFFFAOYSA-N 308.389 2.875 0 50 DFAA Cc1ccccc1OCCN1C2=NCCN2C(=O)c2ccccc21 16577882 PZNWZBXJFUMRBG-UHFFFAOYSA-N 321.380 2.706 0 50 DFAA CCN1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1 16604600 MRVIYRLGDXBJSD-UHFFFAOYSA-N 300.324 2.920 0 50 DFAA Cc1nc(-c2cccnc2)sc1C(=O)NCc1cccnc1 16649057 IZZOMIIRLCIXKW-UHFFFAOYSA-N 310.382 2.839 0 50 DFAA Cn1nc(NC(=O)CN2CCCCC2)c2c(Cl)cccc21 1875246518 QCWAUKOKLVTNPP-UHFFFAOYSA-N 306.797 2.651 0 50 DFAA CN(C)Cc1ccc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c(CO)c1 1875251614 CFFULAKHDBMMEP-KRWDZBQOSA-N 324.424 2.511 0 50 DFAA COc1cc(NC(=O)CCCC(=O)O)c(OC)cc1Cl 340499 LYIDCUUWABBOOP-UHFFFAOYSA-N 301.726 2.551 0 50 DFAA CCCN(CCC)S(=O)(=O)c1ccc2oc(=O)ccc2c1 225500853 QBNOPOLASYRQQA-UHFFFAOYSA-N 309.387 2.604 0 50 DFAA CC[C@@H](C)OCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 225596959 QBGYGQHBMKXIFO-CHWSQXEVSA-N 315.373 2.905 0 50 DFAA Cc1ccc(OC2CCN(C(=O)[C@@]3(C)CCCN3)CC2)cc1 119610656 RDJZUEVVODSDMR-GOSISDBHSA-N 302.418 2.507 0 50 DFAA CSc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 229840996 VWGMXBJURSTBPC-CABCVRRESA-N 319.474 2.787 0 50 DFAA O=C(O)COc1cccc(NC(=O)c2csc(C3CC3)n2)c1 121523168 RVQNBSGGGFDXRH-UHFFFAOYSA-N 318.354 2.736 0 50 DFAA CN(C)Cc1cc(NC(=O)c2ccnc(O)c2)ccc1Cl 337264396 ZVRXHMLLWUQHRM-UHFFFAOYSA-N 305.765 2.755 0 50 DFAA CCOc1cccc2c1CC[C@@H]2NC(=O)N[C@@H]1CCCC[C@H]1O 252497866 FLDFEPPZKHWMCY-ARFHVFGLSA-N 318.417 2.675 0 50 DFAA CCOC(=O)N1CCC(N2CCC3(C=C(C)CCO3)CC2)CC1 1704336114 UBUFIJPDQBGPEL-UHFFFAOYSA-N 322.449 2.809 0 50 DFAA Cc1nn(CC(F)F)cc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 932795204 IDWNJNRIIHCHCD-ZDUSSCGKSA-N 323.347 2.547 0 50 DFAA CCCOc1nc2ccccc2cc1C(=O)N1CCn2nccc21 935882972 OVAUFGODSSBHGQ-UHFFFAOYSA-N 322.368 2.881 0 50 DFAA c1cnc2c(c1)C[C@@H](Nc1ncnc3c1ncn3C1CC1)CC2 1875287821 ASRDVNULYIVWPN-LBPRGKRZSA-N 306.373 2.526 0 50 DFAA Cc1ccc(N)c(C(=O)N2CCCC[C@H]2c2noc(C)n2)c1 1875279106 FJYWQKMOVIRINA-AWEZNQCLSA-N 300.362 2.636 0 50 DFAA Cc1nnc(C2CCN(C(=O)NC[C@@H]3CC=CCC3)CC2)o1 1875289086 SAYMWZRWWFOYCV-CYBMUJFWSA-N 304.394 2.623 0 50 DFAA CC(C)C[N@]1C[C@@H]1COc1cc(CO)cc(C(F)(F)F)c1 1875381143 LLTNFMHHOUJCCH-BFUOFWGJSA-N 303.324 2.917 0 50 DFAA Nc1nc(C(F)(F)C(=O)N2CC[C@@H](c3ccccc3)C2)cs1 1775990432 FYGDLOSGQKAEPD-LLVKDONJSA-N 323.368 2.833 0 50 DFAA CCOC(=O)c1ccc(N[C@H]2Nc3cc(C)nn3S2)cc1 13132471 QLRGAWGWXHRWHN-AWEZNQCLSA-N 304.375 2.686 0 50 DFAA Cc1c(NC(=O)c2csc(CCN)n2)cnc2ccccc12 2325855940 VNTQIRATOQAPEO-UHFFFAOYSA-N 312.398 2.753 0 50 DFAA FC(F)(F)c1cnc(Oc2ccc(-n3cncn3)cc2)cn1 2325879584 ABLVTAYMGIYORF-UHFFFAOYSA-N 307.235 2.868 0 50 DFAA O=C(O)Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 145070 WZEOTAFFQHVAQQ-UHFFFAOYSA-N 320.757 2.863 0 50 DFAA CC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1 527836 PADZZZVPXXRWBC-UHFFFAOYSA-N 312.325 2.524 0 50 DFAA Cc1ccc(OCCOc2ccc(=O)n(-c3ccccc3)n2)cc1 2817488 WCTAFKZOPREURI-UHFFFAOYSA-N 322.364 2.999 0 50 DFAA Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1 2870562 PDUXTOARHZBXRR-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA CN([C@@H]1[C@@H]2CCO[C@H]2C1(C)C)S(=O)(=O)/C=C/c1ccccc1 245339469 TVLVZAXEEKADAF-GIDLGGCKSA-N 321.442 2.732 0 50 DFAA O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 4122341 TYRUTWZUSMGYFW-UHFFFAOYSA-N 306.724 2.734 0 50 DFAA O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)N[C@H](CO)c1ccccc1 222194890 LNVKIZJEOBRQEE-WJFTUGDTSA-N 322.408 2.605 0 50 DFAA COCCn1cncc1CNC(=O)c1c(C)c(C)cc(C)c1C 55271080 NGNWHGDZKNBLMN-UHFFFAOYSA-N 315.417 2.693 0 50 DFAA O=c1[nH]c2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCC3 8739476 WBKALEGGTSSRGI-UHFFFAOYSA-N 318.785 2.883 0 50 DFAA C/C=C(\C)CN1CCC[C@H](CCNC(=O)c2snnc2C)C1 67695504 OTUOVCKVAQTJKJ-NQADCFBISA-N 322.478 2.645 0 50 DFAA CCS(=O)(=O)c1ccccc1C(=O)N(C)c1ccccc1 29484698 LTFUROSIXRNKSJ-UHFFFAOYSA-N 303.383 2.757 0 50 DFAA COc1ccc2c(C)nc(N3CCN4CCCC[C@@H]4C3)nc2c1 67540540 ZTJXCHNXICVPSW-CQSZACIVSA-N 312.417 2.621 0 50 DFAA Cc1cnn([C@H](C)[C@H](C)NC[C@@H](O)c2ccc(F)cc2F)c1 229569255 LZNLXDCYOJDWRL-HWWQOWPSSA-N 309.360 2.742 0 50 DFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc2nc(S)oc2c1 230227058 YBUZFJSGCMUFPY-DMDPSCGWSA-N 318.398 2.804 0 50 DFAA c1cncc(CN(Cc2ccc3c(c2)CCO3)C[C@@H]2CCNC2)c1 328629659 ILKZTSIDCGDESN-GOSISDBHSA-N 323.440 2.628 0 50 DFAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCc2ccccn2)C1 125342229 WWDWFIXNFOIAGE-JKSUJKDBSA-N 303.450 2.641 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ccnc2cc(F)ccc12 359293424 FGYYRDZCUNXXJS-YXJHDRRASA-N 316.376 2.740 0 50 DFAA Cc1noc(C)c1CCC(=O)N1CCC[C@H]1C1CCOCC1 329382056 QPLVMEKBWANFOC-INIZCTEOSA-N 306.406 2.642 0 50 DFAA Cn1cccc1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 363660221 DBPPCXDXYJVYKX-CYBMUJFWSA-N 317.820 2.935 0 50 DFAA O=C(NC[C@@H]1CCCNC1)c1cccc(Oc2ccncc2)c1 262500889 BNQPUJPJKFHECF-CQSZACIVSA-N 311.385 2.603 0 50 DFAA Cc1nc(N[C@@H](C)c2ccc(Cl)cn2)c2cnn(C)c2n1 436699313 UBFPUASUBXMPLF-QMMMGPOBSA-N 302.769 2.893 0 50 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CC(C)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 11662252 IFENFGAFXRIMAP-LBPRGKRZSA-N 300.324 2.804 0 50 DFAA C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COCc1ccc2c(c1)OCO2 11847515 KYOLSRCBZCJERQ-IIAWOOMASA-N 321.417 2.556 0 50 DFAA CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 13745695 JOMWXGGLQAQSDJ-ZDUSSCGKSA-N 324.446 2.988 0 50 DFAA OCC[C@@H]1CN(Cc2ccccn2)CCN1CC1CCCCC1 19836904 BGOPVXDJRRYMRM-LJQANCHMSA-N 317.477 2.531 0 50 DFAA CCc1ccc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)s1 1857733317 DZBDJBZKKHOGGG-BSDSXHPESA-N 320.502 2.852 0 50 DFAA COc1ccccc1CN(CCCC(=O)O)C[C@@H]1CCCO1 116351164 FYKQBLQAQZCOIH-HNNXBMFYSA-N 307.390 2.541 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 237953745 CTTNSLCKDHHCSO-UWVGGRQHSA-N 314.168 2.830 0 50 DFAA Cc1ncsc1CN(C)C(=O)CCc1ccc(C(=O)O)cc1 262675287 YJNBURUMDFIMIO-UHFFFAOYSA-N 318.398 2.741 0 50 DFAA C[C@@H]1COc2ccccc2CN1C(=O)c1ccc(C(=O)O)s1 263574184 NJOWIRHIDGTHGR-SNVBAGLBSA-N 317.366 2.870 0 50 DFAA c1ccc(-c2nc3c(c(N[C@H]4CCn5ccnc54)n2)CCC3)nc1 828357468 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50 DFAA CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)O)c2C)c1 138853 YEFYFPNOLAFIAJ-UHFFFAOYSA-N 313.309 2.871 0 50 DFAA COc1ccccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 281023 GNWJPUGGMNOAHO-WBVHZDCISA-N 322.364 2.865 0 50 DFAA biogenic CCC1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(c2ccncc2)C1 302851 LXFQRPIBDAZDBQ-SFHVURJKSA-N 309.369 2.847 0 50 DFAA Cc1ccnc(SCC(=O)N2N=CC[C@@H]2c2ccccc2)n1 534142 OAVAVAVVGNZDFG-CQSZACIVSA-N 312.398 2.837 0 50 DFAA Cc1nc(O)cc(C2CCN(c3nc(C)c(C)c(C)n3)CC2)n1 2356170241 UEVDIFPDLHZHQM-UHFFFAOYSA-N 313.405 2.590 0 50 DFAA COC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 4841587 ZXZKTEZKVOGRDQ-CYBMUJFWSA-N 313.353 2.729 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cc1C 6728767 ARCTVSLKOAAPCT-OAHLLOKOSA-N 300.402 2.669 0 50 DFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 59740277 NZQQFLHKLPUIQU-OAHLLOKOSA-N 302.418 2.588 0 50 DFAA O=C(COCC(F)(F)F)N1CC[C@H](Cc2ccc(F)cc2)C1 135168935 CQDZJYKQUFMCSM-GFCCVEGCSA-N 319.298 2.796 0 50 DFAA O=c1[nH]c2ccccc2cc1CN1CCN[C@H](c2ccccc2)C1 67983090 ZKHIOYNXMFJXPX-IBGZPJMESA-N 319.408 2.675 0 50 DFAA Brc1cccc(OCCCCN2CCNCC2)c1 20293408 SAONYEUPIJOTDT-UHFFFAOYSA-N 313.239 2.513 0 50 DFAA O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)N1CCC[C@@H](CO)C1 280361572 RTQJPNKNXZTKGT-FRFSOERESA-N 320.408 2.876 0 50 DFAA c1c2c(cc3nc(N4CCOCC4)c(CNC4CC4)cc13)CCC2 11997366 QDVRIGBLPUPSCO-UHFFFAOYSA-N 323.440 2.812 0 50 DFAA COC(=O)CC(C)(C)CC(=O)Nc1ccc2nc(S)[nH]c2c1 121748273 RDTZCVDGMJDQPA-UHFFFAOYSA-N 321.402 2.770 0 50 DFAA COC(=O)c1sccc1NC(=S)NC(=O)c1ccccc1 1394041 PCHMYYLDEPUVQL-UHFFFAOYSA-N 320.395 2.662 0 50 DFAA O=S(=O)(/C=C/c1ccc2c(c1)OCO2)NCc1cccs1 1398389 SKCOYEGVUIOGGQ-FNORWQNLSA-N 323.395 2.567 0 50 DFAA FC(F)(F)c1cccnc1CNC[C@@H]1CCc2nccn2C1 328648055 UIWOBWKVVZMKLP-NSHDSACASA-N 310.323 2.649 0 50 DFAA CC[C@@H]1CN(CCCOC)CCC(=O)N1Cc1ccccc1 71764986 ISHQNWMUOJXRSH-QGZVFWFLSA-N 304.434 2.536 0 50 DFAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ccnc2cc(F)ccc12 359293417 FGYYRDZCUNXXJS-QGPMSJSTSA-N 316.376 2.740 0 50 DFAA CC(=O)c1oc2ccccc2c1NC(=O)CCc1ccnn1C 153996245 FTBWPONGZSWEHP-UHFFFAOYSA-N 311.341 2.940 0 50 DFAA CCOCC1(CNC(=O)c2nc3cc(C)ccn3c2F)CCC1 215486102 UQHXHORUIPREGY-UHFFFAOYSA-N 319.380 2.718 0 50 DFAA C=CC(=O)Nc1ccc(C(=O)OCC[C@@H]2CCCC2=O)cc1 490580400 FBTJATACDBIALR-LBPRGKRZSA-N 301.342 2.727 0 50 DFAA CC(C)Oc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)n1 156915043 LHONXHPIOQMVRB-UHFFFAOYSA-N 323.356 2.906 0 50 DFAA COc1cc(C)ccc1NC(=O)NCc1ncnn1C(C)(C)C 337356805 CEMYXRUKJNVYDG-UHFFFAOYSA-N 317.393 2.672 0 50 DFAA C[C@H](Cc1cccnc1)NC(=O)CCn1cnc2ccccc21 216337657 SBXPUMCPRSCJKW-CQSZACIVSA-N 308.385 2.569 0 50 DFAA Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1ccccc1Cl 374008713 GXBUBRWXDSTAHJ-GFCCVEGCSA-N 303.793 2.810 0 50 DFAA Cc1ccc2cc(C(=O)N3CC[C@](C)(C(=O)O)C3)c(C)nc2c1 237889296 CXPFKPSFGLMLBP-SFHVURJKSA-N 312.369 2.788 0 50 DFAA Cc1nc[nH]c1-c1nccn1Cc1nc(C)c2c(n1)CCCC2 71551797 YSMZIMKVDIYLFW-UHFFFAOYSA-N 308.389 2.607 0 50 DFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2ccsc2)CC1 285207531 OUVREZCBZDBNQS-GFCCVEGCSA-N 303.449 2.718 0 50 DFAA COc1cc(C(=O)O)ccc1NC(=O)CCc1c(C)noc1C 263019166 TUZCCPZVBDGECK-UHFFFAOYSA-N 318.329 2.570 0 50 DFAA CCc1nc2c(N(C)CCc3scnc3C)ncnc2o1 77407198 GDAWWCWSUKQXNC-UHFFFAOYSA-N 303.391 2.624 0 50 DFAA O=C(NCCOC1CCCCCC1)c1cnn2ccccc12 605311471 CCGKQFZVJQMQHT-UHFFFAOYSA-N 301.390 2.804 0 50 DFAA Cc1cc(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)no1 72411275 JXWPVJUPAIHQPV-UHFFFAOYSA-N 316.401 2.959 0 50 DFAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccoc1C1CC1 287096958 XEURDPAWVNCBMB-NUEKZKHPSA-N 319.401 2.813 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)cc1F)C2 95383970 DVZVPDNWNDTKIJ-TZMCWYRMSA-N 308.372 2.911 0 50 DFAA Cc1cnccc1N1CCCN(C(=O)NCCC(C)C)CC1 426386299 KSRQEKXQGAMHGA-UHFFFAOYSA-N 304.438 2.658 0 50 DFAA COc1ccccc1-c1nnc(CN[C@@H](C)C2CCOCC2)o1 179855159 HRSKQIDDPFAFFT-LBPRGKRZSA-N 317.389 2.650 0 50 DFAA CSCC1CCN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC1 97532412 JNXOCNMPKJMVDL-UHFFFAOYSA-N 307.341 2.644 0 50 DFAA CC[C@H](O)Cn1nc(C2CC2)nc1CCN1CCCCCCC1 96148355 PGUJNGBAAJFPKL-INIZCTEOSA-N 320.481 2.735 0 50 DFAA CCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2 91550413 DWKGXHXBCZXEKT-UHFFFAOYSA-N 314.433 2.583 0 50 DFAA COC[C@@H]1CCCN1CCC(=O)Nc1ccc2c(c1)CCC2 244774059 PNEVSMZWDBSBCS-KRWDZBQOSA-N 302.418 2.615 0 50 DFAA Cc1nnc2n1C[C@H](NCc1ccsc1C(F)(F)F)CC2 623388752 UJEYLCXRKPQCNE-SNVBAGLBSA-N 316.352 2.771 0 50 DFAA O=C(COc1ccc(Cl)c(Cl)c1)NCC[C@H]1CCOC1 344262305 GZABWQJPESDFCZ-JTQLQIEISA-N 318.200 2.915 0 50 DFAA O=C(NCc1cccc(Cl)c1F)N1CCCC[C@H]1CO 534666170 ZEDLXSNHQHHHKW-NSHDSACASA-N 300.761 2.536 0 50 DFAA COc1ccccc1CCNc1cc([C@@H]2CCOC2)nc(C)n1 299778359 PPAJPRDMTCHNER-OAHLLOKOSA-N 313.401 2.952 0 50 DFAA Cc1ccc(C(=O)N2CCC(N=c3cc[nH]cc3F)CC2)cc1 641340701 WQYYKHXQNBBUID-UHFFFAOYSA-N 313.376 2.668 0 50 DFAA Cc1ccc(Cl)c(C)c1NC(=O)NCCCn1cnnc1 299801222 WQQRUVUQFPLZNP-UHFFFAOYSA-N 307.785 2.760 0 50 DFAA COc1ccc([C@@H](C)N(C)Cc2cnc(OC)nc2)c(OC)c1 824852126 XCVGDCNATXSCOD-GFCCVEGCSA-N 317.389 2.695 0 50 DFAA COc1ccc2c(C)c(-c3ncnn3CC(C)(C)O)oc2c1 824758931 DWJQEBMNIPPPCC-UHFFFAOYSA-N 301.346 2.779 0 50 DFAA C[C@@H]1OC2(CCN(C)CC2)C[C@H]1NCCCNc1ccccc1 685940765 UGJBAEAXWIDIIO-FUHWJXTLSA-N 317.477 2.720 0 50 DFAA Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 952977259 PQOGLUGUVRHJIU-HUUCEWRRSA-N 323.408 2.817 0 50 DFAA O=C(c1ccco1)N1CCC[C@H](Nc2cnc3ccccc3n2)C1 1057563783 XLVQWSBRSMHTGX-ZDUSSCGKSA-N 322.368 2.940 0 50 DFAA CC(C)C(C)(C)C(=O)NC1CCN(Cc2ccncc2)CC1 275769681 ALALIJUQFFHRMX-UHFFFAOYSA-N 303.450 2.844 0 50 DFAA CN(C)c1nc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cs1 673801960 AOGYPRZKAXFAJC-UHFFFAOYSA-N 318.377 2.760 0 50 DFAA Oc1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc2c1cnn2-c1ccccc1 645397401 IUPCEDNIPXNEED-RWMBFGLXSA-N 321.384 3.122 0 50 DFAA CC(C)c1cccc(C(=O)NC2(CC(=O)O)CCOCC2)c1 659128774 ZGOLNGALDHGZFY-UHFFFAOYSA-N 305.374 2.564 0 50 DFAA Ic1cccc2sc3nncn3c12 1615890913 ONPFGQGNIPMZLC-UHFFFAOYSA-N 301.112 2.549 0 50 DFAA CC(=O)c1cccc(OCc2cc(C(=O)N3CCCC3)no2)c1 11950143 QECOGIIEPJNRRO-UHFFFAOYSA-N 314.341 2.692 0 50 DFAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC1(CO)CC1 120137584 NMNDUYDJIMIIFK-UHFFFAOYSA-N 314.389 2.777 0 50 DFAA O[C@H]1CCCN(c2ccnc(-c3cnc4cccc(F)c4c3)n2)C1 1875249449 UAVJAVMCMBEXIE-ZDUSSCGKSA-N 324.359 2.792 0 50 DFAA Cc1csc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)O)cc2)n1 225458190 DBGCMYBFQXMAAM-RYUDHWBXSA-N 302.355 2.778 0 50 DFAA Cc1ccccc1C[C@@H](C)NC(=O)N1CCC2(CCNC2)CC1 417148149 DCXGGAXFCKJFND-MRXNPFEDSA-N 315.461 2.711 0 50 DFAA C[C@H](C(=O)NCc1nc(C(F)(F)F)cs1)C1CCOCC1 153009636 FEEXRNNTRXJVLC-QMMMGPOBSA-N 322.352 2.841 0 50 DFAA O[C@@H](CN1CC[C@@H](n2cc(Cl)cn2)C1)c1cccc(F)c1 810132115 WEVGRELEZZZZEQ-CABCVRRESA-N 309.772 2.656 0 50 DFAA CCc1nnc(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)o1 932193841 IEPKHJJQGDHIAM-NSHDSACASA-N 318.446 2.957 0 50 DFAA C[C@H]1CCN(c2cc(C3CCCCC3)ncn2)[C@@H](C(N)=O)C1 1875288105 NNWBVYUEJPWSBL-SWLSCSKDSA-N 302.422 2.615 0 50 DFAA O=C(NCc1cc2ccccc2s1)NC1CC(CCO)C1 892325361 KIWRYLRHSIELQU-UHFFFAOYSA-N 304.415 2.862 0 50 DFAA CC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3cccnc3)C2)c1C 1775985368 CXBZPTKJLVAXAE-UHFFFAOYSA-N 309.369 2.769 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCc3ccccc3C2)nn1C(F)F 341225331 ZNXYCHJXMAQJLL-ZDUSSCGKSA-N 305.328 2.874 0 50 DFAA O=C(OC[C@H]1CC(=O)N(C2CC2)C1)c1coc2c(F)cccc12 2325774795 UKFRBHAMHGWJEE-JTQLQIEISA-N 317.316 2.740 0 50 DFAA COc1ccc2c(c1)CC[C@@H](C(=O)Nc1cnn(C3CC3)c1)C2 2325786550 WSVJYXHPNSQGII-CQSZACIVSA-N 311.385 2.970 0 50 DFAA CC1(C)CO[C@@H](CC(=O)O)CN1Cc1nc2ccccc2s1 2325788063 JUZNHUMYWXUHLN-NSHDSACASA-N 320.414 2.750 0 50 DFAA C[C@](O)(CNCc1ccc2c(c1)CCCC2)[C@H]1CCCOC1 2325788980 XMGXGRJCJIFWET-OALUTQOASA-N 303.446 2.833 0 50 DFAA O=C(CC[C@H]1Cc2ccccc2CN1)Nc1c[nH]c2nccc-2c1 2325795908 DPWIOVBRLOVOCO-INIZCTEOSA-N 320.396 2.948 0 50 DFAA Cc1nc2c(s1)[C@H](NC(=O)c1occc1C(=O)O)CCC2 2325802975 IBGMZEDLWVIROQ-SNVBAGLBSA-N 306.343 2.550 0 50 DFAA NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2 3811952 MQTUXRKNJYPMCG-CYBMUJFWSA-N 318.392 2.635 0 50 DFAA investigational CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC)cc1 4616787 JLOXSCRBGCRFQD-UHFFFAOYSA-N 307.346 2.535 0 50 DFAA O=C(NC1CCCCCC1)C(=S)NCCc1ccccc1 4832063 FTCUWTNHNWCHCK-UHFFFAOYSA-N 304.459 2.985 0 50 DFAA CCOC(=O)C1CCN(CCOc2cccc(Cl)c2)CC1 6701893 KOSOCVYIZDMJDW-UHFFFAOYSA-N 311.809 2.994 0 50 DFAA FC(F)(F)c1cc(N2CCN(Cc3ccccn3)CC2)ccn1 225816487 HXODHDZGPKDTIY-UHFFFAOYSA-N 322.334 2.818 0 50 DFAA CCCOC[C@H]1CCN(C(=O)CC(=O)Nc2ccccc2C)C1 55042094 UYTVPZRZQDUYEF-HNNXBMFYSA-N 318.417 2.599 0 50 DFAA Cc1[nH]c2c(F)cc(F)cc2c1CCN[C@@H](C)Cn1cncn1 65380688 JZBFJDZQZHZMSY-JTQLQIEISA-N 319.359 2.567 0 50 DFAA COc1ccc(C)cc1CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O 247822052 HDXYCBLYQRAHGN-QZTJIDSGSA-N 316.445 2.979 0 50 DFAA Cc1ccsc1[C@@H]1CCN(Cc2ccncc2F)C[C@H]1O 65426069 VNHSUFKTSLKIJL-UKRRQHHQSA-N 306.406 2.941 0 50 DFAA OCCOc1ccc(CN2CCCN(C3CCCC3)CC2)cc1 65455488 LJYQSWVYJHTNTH-UHFFFAOYSA-N 318.461 2.508 0 50 DFAA COc1ccc(C[C@H]2COc3cc(O)c(C)c(O)c3C2=O)cc1 13327574 OOHKTNVQRTUZRS-LBPRGKRZSA-N 314.337 2.849 0 50 DFAA biogenic,in-vitro Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nccn1CC(C)C 149937160 LKIQJDHBYUYPJZ-NSHDSACASA-N 303.410 2.632 0 50 DFAA O[C@@H](COc1ccccc1)CN1CCC[C@@H](C(F)(F)F)C1 229104950 NMRBFYXVCQTHCZ-CHWSQXEVSA-N 303.324 2.701 0 50 DFAA O=C(O)c1cccnc1CN1CCC(C(=O)c2ccccc2)CC1 65386612 MMIOQFQDXTXLHA-UHFFFAOYSA-N 324.380 2.875 0 50 DFAA Cc1nnc(CC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@H]2C)o1 329080037 CITMXGIAMYVGCV-VHSXEESVSA-N 303.337 2.594 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccc2c(c1)CCO2 367447963 JGIWBLPUMPYULZ-INIZCTEOSA-N 313.401 2.535 0 50 DFAA CC(C)c1ncncc1C(=O)N(C)Cc1ccc(C(=O)O)cc1 262084341 KRSVVVJOQLMFQH-UHFFFAOYSA-N 313.357 2.570 0 50 DFAA CCOC(=O)C1CCC(N(CC)C(=O)c2ccncc2)CC1 338071557 SBMIYEKROIPAEK-UHFFFAOYSA-N 304.390 2.666 0 50 DFAA COC[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 173782675 NOICOQSNHWCBID-ABHNRTSZSA-N 317.429 2.834 0 50 DFAA CCc1ccc2occ(C(=O)N3CCCC[C@@H]3C(=O)NC)c2c1 285320414 XHLGEIBTXXUSNY-OAHLLOKOSA-N 314.385 2.736 0 50 DFAA O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccncc2)CC1 43390438 DYVUDJUPCQMNDQ-UHFFFAOYSA-N 322.412 2.924 0 50 DFAA COC(C)(C)C[C@H](C)NC(=O)N1CCC(c2ccn[nH]2)CC1 175962948 VIHLRHSNEMWHIN-LBPRGKRZSA-N 308.426 2.502 0 50 DFAA COc1cccc(CSc2nnc(CN)n2CC(C)C)c1 426424403 UDSBPXIWNKAVAQ-UHFFFAOYSA-N 306.435 2.694 0 50 DFAA CN1CCC(CNC(=O)N(C)C/C=C/c2ccccc2)CC1 426510894 VJQFYKZSTJXFBR-RMKNXTFCSA-N 301.434 2.683 0 50 DFAA Cc1c(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)ccn1C 426407663 NZJSWMLETJUAIH-MRXNPFEDSA-N 313.401 2.550 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1C 141614461 PQWNVEQDKPEKJZ-HIFRSBDPSA-N 305.374 2.987 0 50 DFAA O=C1O[C@H]2[C@@H](Sc3ccc(Cl)cc3)[C@@H]3C[C@H]2[C@@H]1[C@H]3C(=O)O 239248153 YEQLLKPKQRZMFA-QYKGAGETSA-N 324.785 2.693 0 50 DFAA COCC1(NC(=O)[C@@H]2CCOc3ccccc3C2)CCCC1 97515152 LGBYVBCEYSKBLT-OAHLLOKOSA-N 303.402 2.703 0 50 DFAA Cc1cc(NC(=O)N2CCC(=O)NC[C@H]2C)c(Cl)cc1F 95497449 GSYJWDHOBNNWRQ-SECBINFHSA-N 313.760 2.530 0 50 DFAA CN(CC(=O)NCc1ccccc1)Cc1cc(F)c(F)c(F)c1 179829552 AWVOBEBRRARWQQ-UHFFFAOYSA-N 322.330 2.852 0 50 DFAA CCOC(=O)N1CC[C@@H](NCCCc2nc3ccccc3o2)C1 534576176 CAXPVVYDRCPILP-CYBMUJFWSA-N 317.389 2.581 0 50 DFAA COc1cccc(-c2nc(CN3CCc4[nH]cnc4C3)c(C)o2)c1 299766389 IUWFWORISSQOAK-UHFFFAOYSA-N 324.384 2.940 0 50 DFAA CCc1noc(NC(=O)[C@H]2COc3ccccc3O2)c1CC 1940194774 OIKYKMLAABACPY-CQSZACIVSA-N 302.330 2.578 0 50 DFAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 299777976 LOSAYKLDYMITEA-CYBMUJFWSA-N 306.362 2.838 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3csc4c3CCCC4)C2)n1 299794717 MVUCODVDIJNQLZ-LLVKDONJSA-N 317.414 2.948 0 50 DFAA CC[C@H](C)Cc1nc(-c2cccc(CN)c2)n(CC(C)(C)O)n1 822619981 DCTRRTYJJHWIIJ-ZDUSSCGKSA-N 316.449 2.763 0 50 DFAA Cc1cc(CC(=O)N2CCOc3ccc(Cl)cc3C2)on1 584895750 FLYQXOSYPORDQH-UHFFFAOYSA-N 306.749 2.600 0 50 DFAA CCCc1nnc(-c2ccc(C(=O)N[C@H]3CCOC3)cc2)s1 584894624 ANCNRJCJKMUPDQ-ZDUSSCGKSA-N 317.414 2.676 0 50 DFAA CN(Cc1cnc2ccccc2n1)S(=O)(=O)CC1CCCC1 670439995 FGSPXWMCTUFRAF-UHFFFAOYSA-N 319.430 2.582 0 50 DFAA COCC(=O)Nc1cc(NC(=O)[C@H]2CC=CCC2)ccc1OC 952973137 MTSHWXKNDYCGJB-LBPRGKRZSA-N 318.373 2.575 0 50 DFAA O=C(Nc1ccccc1)N[C@H](C(=O)O)c1ccc2c(c1)CCO2 170091691 VKSYFZBPHHIVNA-HNNXBMFYSA-N 312.325 2.569 0 50 DFAA CCc1nccn1[C@H]1CCCN(C(=O)c2ccnc(F)c2F)C1 170608006 LAJQWSMVBMIICN-NSHDSACASA-N 320.343 2.596 0 50 DFAA O=C(O)Cc1cccc(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)c1 630145120 WYOXMKOESGSTIP-BPQIPLTHSA-N 307.349 2.838 0 50 DFAA Cn1nc(-c2ccccc2)c2c(NC(=O)CCCF)[nH]nc21 668823094 DPTAOXDQYNSTCK-UHFFFAOYSA-N 301.325 2.652 0 50 DFAA O=C(NC[C@H](CCO)c1ccccc1)Nc1ccc(F)cn1 187914628 KQFLHSJEFITWBH-ZDUSSCGKSA-N 303.337 2.508 0 50 DFAA Cc1cnc(CN2CCOC[C@H]2CC(=O)c2cccs2)s1 189217615 RLIPEBOVFYCOGZ-GFCCVEGCSA-N 322.455 2.987 0 50 DFAA CCCc1nsc(NCc2nc(O)c3ccccc3n2)n1 663920081 LRMBCWGZZKINTL-UHFFFAOYSA-N 301.375 2.752 0 50 DFAA Cc1nn(CCOc2ccccc2)c(C)c1[C@H]1CCCC(=O)N1 664097703 XADQCHJJZLXTHU-MRXNPFEDSA-N 313.401 2.920 0 50 DFAA CC(=O)c1ccc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)nc1 1529196159 VPWKEOQVIQDVIO-AWEZNQCLSA-N 315.417 2.512 0 50 DFAA Cc1cc(F)ccc1NC(=O)[C@@H](C)n1nc(C)c(C)cc1=O 1848442532 ZBTFNAYVRSUXGY-GFCCVEGCSA-N 303.337 2.507 0 50 DFAA CC[C@H](C(=O)NC(C)(C)C)N1CCC(c2ccnc(O)c2)CC1 1772809988 BPTDPVPYOPTTOJ-OAHLLOKOSA-N 319.449 2.660 0 50 DFAA Cc1ccc2c(c1)CN(CCNC(=O)C1=CCCC1)C[C@H](C)O2 11964256 UPVCMMVOKFFYBN-HNNXBMFYSA-N 314.429 2.804 0 50 DFAA CN(CCCC1CCCC1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 12385825 HQSXHABTIGLNRO-HNNXBMFYSA-N 306.450 2.816 0 50 DFAA CCCCc1ccc(NC(=S)NCCN2CCOCC2)cc1 13497409 JUIFZOFNYLBZOW-UHFFFAOYSA-N 321.490 2.648 0 50 DFAA CCOc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1 13647645 CBMZGPGKAMVWRI-UHFFFAOYSA-N 323.389 2.844 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 15618245 ILUFJDLJKKHSRI-STQMWFEESA-N 324.446 2.987 0 50 DFAA CC[C@@H](C)NS(=O)(=O)Cc1ccc(Br)cc1 16577738 NBNRNESURFOFMR-SECBINFHSA-N 306.225 2.667 0 50 DFAA CN(C)c1ncc(CN(Cc2ccccn2)Cc2ccco2)cn1 19585455 DHEDMUALOFSQTH-UHFFFAOYSA-N 323.400 2.733 0 50 DFAA CC(C)=CCN1CCN(Cc2sccc2C)C[C@@H]1CCO 19720950 IDBODEUXRLBXAR-INIZCTEOSA-N 308.491 2.891 0 50 DFAA c1ccc(CO[C@H]2CCCN(Cc3cccc4ccnn34)C2)nc1 1857680092 BDZBWSIDWZJZHY-IBGZPJMESA-N 322.412 2.911 0 50 DFAA Cc1nn(C)c2c1[C@H](NC(=O)Cc1c[nH]c3ccccc13)CCC2 1857690658 JSFPZOJHBSYSHY-MRXNPFEDSA-N 322.412 2.946 0 50 DFAA COC(=O)c1coc(CN[C@H](c2ccc(OC)cc2)C(C)C)n1 408519601 CGTAKQJZLMXUSB-INIZCTEOSA-N 318.373 2.957 0 50 DFAA Cc1ccc([C@H](C)NC(=O)N[C@H](CO)Cc2ccccc2)o1 133720601 GSAVQZUTPDMRCN-ZFWWWQNUSA-N 302.374 2.552 0 50 DFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@H]1c1nncn1C 372010685 QDLBNYMGNQCWHJ-HNNXBMFYSA-N 324.384 2.776 0 50 DFAA Cc1cccnc1NC(=O)CCNC(=O)c1c(C)cccc1C 585088366 YDYUZUKLIXICKQ-UHFFFAOYSA-N 311.385 2.765 0 50 DFAA CC(C)(CN)C1CCN(C(=O)Nc2cccc3c2CCO3)CC1 904461672 MERYWHXVZWEHIV-UHFFFAOYSA-N 317.433 2.850 0 50 DFAA O=C(c1noc2c1COCC2)N1CCCCC[C@H]1C(F)(F)F 906188857 UVCKSUDRNYDESM-NSHDSACASA-N 318.295 2.694 0 50 DFAA CC(C)c1occc1C(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910619341 SJIGWMCKGPJODR-JKGQDXBKSA-N 321.373 2.545 0 50 DFAA Cc1cc(NC(=O)NC2([C@H]3CCCCO3)CC2)cn2ccnc12 931553221 AVUKXQGBOWQFMU-CQSZACIVSA-N 314.389 2.866 0 50 DFAA Cc1cccc(CN(C)C(=O)C[C@H]2CC(=O)Nc3ccccc32)n1 933381511 CYJUEHWUDJXJOP-CQSZACIVSA-N 323.396 2.865 0 50 DFAA CN(Cc1ccccc1CC(=O)O)Cc1nc2ccccc2n1C 846247541 QZZMGFNBKSOCFY-UHFFFAOYSA-N 323.396 2.832 0 50 DFAA Cc1cc(NC(=O)N2CCC(c3cncn3C)CC2)sn1 1875277463 MRQNHRWYZNQKFD-UHFFFAOYSA-N 305.407 2.597 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)Nc1nc2cccnc2s1 1875297485 SFBKAUWDCJEUAA-UHFFFAOYSA-N 301.375 2.603 0 50 DFAA CC(C)(F)C(=O)N1CCC[C@H]1Cn1cc(C2CCCC2)nn1 1875323757 SLDUGNVCQNZOIP-ZDUSSCGKSA-N 308.401 2.675 0 50 DFAA CN(C[C@@H]1CCNC1)c1cncc(-c2ccc3cnccc3c2)n1 1875312847 CIUODBTVTJUNJF-CQSZACIVSA-N 319.412 2.738 0 50 DFAA CN(C(=O)N1CCC[C@@]2(CCCCO2)C1)c1ncccc1F 1875379604 ZAXQZEMXSSOPNB-INIZCTEOSA-N 307.369 2.812 0 50 DFAA CO[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cc(C(C)(F)F)no3)C[C@@H]21 1875307531 PRPJTBJEGFELRM-AATLWQCWSA-N 300.305 2.786 0 50 DFAA O=C(N[C@H]1CCCCC12OCCO2)c1coc2cc(O)ccc12 877870822 GNRMSYZOBCEJDP-HNNXBMFYSA-N 317.341 2.554 0 50 DFAA COc1ccc(C2CC2)cc1CNC(=O)N[C@@H]1CCO[C@H]1C 883542497 LWBWTKOMLIKMFB-XHDPSFHLSA-N 304.390 2.549 0 50 DFAA O=C(c1cc[nH]n1)N1CCC(c2ccccc2)(N2CCCC2)CC1 887614972 NMIDNFYRDOWGSJ-UHFFFAOYSA-N 324.428 2.637 0 50 DFAA CCc1occc1C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 888103097 GNFRKCYVEFQXOA-OCCSQVGLSA-N 317.389 2.784 0 50 DFAA Cc1cc(NC(=O)CSc2nc(C)c(CC(C)C)[nH]2)no1 4626196 GVBYZSUQTROYAF-UHFFFAOYSA-N 308.407 2.944 0 50 DFAA O=C(N[C@H](O)C(=O)c1ccccc1)c1cccc2ccccc12 2050025195 YQUPGZJDHXMQPM-LJQANCHMSA-N 305.333 2.771 0 50 DFAA C[C@H](C[C@@H](C)C(=O)N1CC2CC1(C)C2)C(=O)N1CC2CC1(C)C2 2325766575 RSHFQAKXKAKKLM-UUIRZSMISA-N 318.461 2.671 0 50 DFAA O=C(N(c1ccccc1)C1COC1)C(F)(F)c1cccnc1 2325805953 ICAVUJMWCGMADI-UHFFFAOYSA-N 304.296 2.605 0 50 DFAA O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC(O)(C2CCC2)CC1 931440215 RLFOIDJPXHUTCR-LBPRGKRZSA-N 320.355 2.664 0 50 DFAA C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)NCc1cccs1 119376039 DBBVZUCLAZGRPX-ZDUSSCGKSA-N 318.442 2.633 0 50 DFAA O=C1CCc2cc(NC(=O)N3C[C@H]4CCC[C@H]4C3)c(F)cc2N1 120791483 GBDLLIROQMHZNE-TXEJJXNPSA-N 317.364 2.974 0 50 DFAA NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 184406 HTPNTHKCKSMNJG-VXNVDRBHSA-N 316.308 2.704 0 50 DFAA COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187322 DALGDMAVNXHKCK-SJORKVTESA-N 322.364 2.865 0 50 DFAA biogenic COc1cccc(NC(=S)NC(=O)c2cccc(F)c2)c1 452722 FPPDBILYMQBQBG-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)CSc2ccc(C)cc2)C1 621675 KGESRECLOGIVIW-CQSZACIVSA-N 321.442 2.889 0 50 DFAA CCCCN(CC(=O)O)S(=O)(=O)c1ccc(C)c(Cl)c1 2506178 BVVRFLBWXJHWIW-UHFFFAOYSA-N 319.810 2.524 0 50 DFAA O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCCC1 2602333 KQZWXXWNCIWPPE-UHFFFAOYSA-N 300.314 2.696 0 50 DFAA biogenic C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 4644703 SDONFQGWQYVSIH-XGACYXMMSA-N 304.321 2.573 0 50 DFAA Cc1ccc(-c2cc(C(=O)Nc3nnn[nH]3)c3ccccc3n2)o1 4892558 SZQLILOKTYKZOJ-UHFFFAOYSA-N 320.312 2.569 0 50 DFAA CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)O)c1C 6667813 LIKHJNIFBWMWCZ-UHFFFAOYSA-N 305.305 2.864 0 50 DFAA CS(=O)(=O)Nc1cccc(C(=O)NC2CCCCCCC2)c1 10314439 KBSOWKLAPDFGRB-UHFFFAOYSA-N 324.446 2.901 0 50 DFAA Cc1ccc2c(=O)cc(C(=O)Nc3nnc(C)s3)oc2c1 9012832 NIFXTOCXJLAGJQ-UHFFFAOYSA-N 301.327 2.514 0 50 DFAA COCCN(Cc1ccc(C)cc1)Cc1cnc(COC)nc1 55308095 AZPKZOZPTSXXGV-UHFFFAOYSA-N 315.417 2.580 0 50 DFAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC[C@@]2(CCNC2)C1 67885813 DBDFWGWRFZDPBC-IBGZPJMESA-N 309.413 2.897 0 50 DFAA Cc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)s1 22913440 SZAUZQGITWSIEU-INIZCTEOSA-N 310.507 2.971 0 50 DFAA C[C@H](c1ccc(F)cc1)n1c(-c2cc(C3CC3)n[nH]2)n[nH]c1=O 65508736 QRCKBLZWQRYVLS-SECBINFHSA-N 313.336 2.587 0 50 DFAA C[C@@H](NC1CSCCSC1)c1nc(-c2ccccn2)no1 67714227 SLBMETXTNQVMGE-SNVBAGLBSA-N 322.459 2.631 0 50 DFAA COCCn1nc(C)c(CN[C@H](C)c2cccc(O)c2)c1C 253395142 NPIKCESDCUBZDJ-GFCCVEGCSA-N 303.406 2.703 0 50 DFAA CCC(CC)N1C[C@H](C(=O)Nc2ccc3[nH]ncc3c2)CC1=O 171422054 PUHZPWHWMWEOQA-GFCCVEGCSA-N 314.389 2.539 0 50 DFAA C[C@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1 252479674 BJRLAAVCHPBCHS-LBPRGKRZSA-N 321.371 2.743 0 50 DFAA COCCC1(C(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)CCCC1 252477962 YOTYHEPVVUGWKA-ULQDDVLXSA-N 320.477 2.526 0 50 DFAA CN(c1ccc(-c2nc(C3CC3)no2)cn1)C1CCOCC1 39515973 PXANTQIGQYKWIU-UHFFFAOYSA-N 300.362 2.624 0 50 DFAA CC(C)N1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CC1 252585746 KUBFXYBUNCITKH-FWEDZOCSSA-N 319.493 2.983 0 50 DFAA CC[C@H](C)c1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)on1 230105078 PPOMDWYFQPOSMF-SUHUHFCYSA-N 310.419 2.535 0 50 DFAA CCC[C@@]1(CO)CCN(C(=O)C2(c3cccnc3)CCCC2)C1 426140485 ZBROQFSRPVCBIZ-GOSISDBHSA-N 316.445 2.905 0 50 DFAA CCOc1ccccc1CNC(=O)c1c(Cl)cnn1CC 2764712 JSSYOWPYOKXHCG-UHFFFAOYSA-N 307.781 2.885 0 50 DFAA O=C(O)c1cccc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)c1 33559595 SYDLQTMUUICPJP-UHFFFAOYSA-N 320.352 2.668 0 50 DFAA COc1cc(F)c(F)cc1NC(=O)[C@@H]1COc2ccccc2O1 355435481 AJDUBWDHEOSJRD-HNNXBMFYSA-N 321.279 2.752 0 50 DFAA Cc1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(C)n1 219821767 BYQFZZLSFYHWHU-SFHVURJKSA-N 309.413 2.827 0 50 DFAA O=C(NC[C@@H]1COCCO1)c1cc(C(F)(F)F)ccc1Cl 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DFAA CC1CCC(N(C[C@@H]2CCCO2)C(=O)/C=C/CN(C)C)CC1 1875375514 GHHLROMWDDIDKS-UNWRLRQRSA-N 308.466 2.691 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2N=c2cc[nH]c3ccccc23)cnn1C 886031245 SWOYVVMYGKWXPE-ZWKOTPCHSA-N 308.385 2.641 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cccc(Cl)c2C)C1 888077627 MKKJFWMNDYAWSI-BXUZGUMPSA-N 319.792 2.974 0 50 DFAA O=C(Cc1cccc2ccncc12)Oc1cnn2c1CCCC2 2325808803 ZPXVZVICASKBMV-UHFFFAOYSA-N 307.353 2.916 0 50 DFAA CCC1=NN(C(=O)c2ccc(C)cc2)[C@](O)(c2ccncc2)C1 302860 LXFQRPIBDAZDBQ-GOSISDBHSA-N 309.369 2.847 0 50 DFAA CC(=O)c1cc(Br)c(O)c(Br)c1O 437543 AXKQYRSCSPGWBY-UHFFFAOYSA-N 309.941 2.825 0 50 DFAA CCCCN1CCC[C@@H]1C(=O)NCc1ccc(OC)c(OC)c1 2907371 QNCWIUKOIUOOSU-OAHLLOKOSA-N 320.433 2.585 0 50 DFAA biogenic CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccc(C)cc1 3666374 MWLRMTDZZLJHNI-OAHLLOKOSA-N 304.434 2.944 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1 4141120 WZQJAJDSWMWITL-OAHLLOKOSA-N 302.374 2.966 0 50 DFAA CCOC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 4740790 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O=C(O)COc1ccccc1CN1CCC[C@H]1c1nccs1 216248149 BCDJKILMRSIPFD-ZDUSSCGKSA-N 318.398 2.944 0 50 DFAA O=C(NCCN1CCCOCC1)N[C@H]1CCCCC12CCCC2 366059543 KJLYOZQTNZODCT-INIZCTEOSA-N 323.481 2.511 0 50 DFAA CNC[C@@H]1CCCN1C(=O)/C=C/c1cc(Cl)ccc1OC 237117002 QGJSFQGEEGNHBZ-GPAKFWEMSA-N 308.809 2.572 0 50 DFAA OCCOCCN1CCC[C@@H](CCc2c(F)cccc2F)C1 72132983 FMNXYPXBKRGIQF-AWEZNQCLSA-N 313.388 2.618 0 50 DFAA CC[C@H](C)[C@H](NC(=O)c1cn(C)cn1)c1nc2ccccc2[nH]1 340091463 GYGDJLZTQXAOJC-NHYWBVRUSA-N 311.389 2.814 0 50 DFAA COC(=O)CC[C@H]1CN(C2CCCCCC2)CC[C@H]1N(C)C 14989636 MHGYMUMKTXYQOW-DOTOQJQBSA-N 310.482 2.915 0 50 DFAA NC(=O)c1cc(NCc2c(F)cccc2OC(F)F)ccn1 132527909 KSZCWAGQJDSHOY-UHFFFAOYSA-N 311.263 2.533 0 50 DFAA CC(C)C[C@H](CC(=O)O)NC(=O)COc1cccc(Cl)c1 219409934 CIFSPKAFMYBESO-GFCCVEGCSA-N 313.781 2.724 0 50 DFAA C[C@@]1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@@]1(F)Cl 606444606 NMEIQOUXAPCRNN-HOTGVXAUSA-N 324.783 2.510 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 337158931 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CSc1ccc(CNC(=O)c2cccc(OCCN)c2)cc1 299785604 MRDLVWMQDZGACD-UHFFFAOYSA-N 316.426 2.676 0 50 DFAA Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 828161254 VEZJEXCVIZOUFQ-UHFFFAOYSA-N 324.424 2.724 0 50 DFAA COCC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 201986210 SWXMNAOFFPVYQC-UHFFFAOYSA-N 306.362 2.522 0 50 DFAA CN(Cc1ccccn1)C(=O)c1cccc2c1C(=O)OC2(C)C 408517975 QQHBOORGYLEUOV-UHFFFAOYSA-N 310.353 2.759 0 50 DFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1scnc1C 275433861 FMBQQNYQVPJBRN-JSGCOSHPSA-N 306.435 2.678 0 50 DFAA c1ccc2c(c1)CC(NC1CCC(Oc3cnccn3)CC1)C2 187203897 PCXMNGVJHOJQMD-UHFFFAOYSA-N 309.413 2.924 0 50 DFAA COc1cc(CCC(=O)N2CC[C@@H](Cc3ccccc3)C2)on1 669137786 CFBDQMGEAKRFPV-HNNXBMFYSA-N 314.385 2.707 0 50 DFAA COc1ccnc(CN[C@@H](C)c2ccc3c(c2)OCO3)c1OC 191041239 CDAHQCKFRHKASE-NSHDSACASA-N 316.357 2.678 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccnn1Cc1ccc(F)cc1 191214186 VTPYWXQIOSSVBX-WFASDCNBSA-N 317.364 2.824 0 50 DFAA CC/C=C(\F)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 585089368 HNBDDODPTOUOCB-SDQBBNPISA-N 300.374 2.766 0 50 DFAA COc1ccc([C@@H](NC(=O)Nc2cnns2)C2CC2)cc1 192331237 WXVGPTGFTMIKND-ZDUSSCGKSA-N 304.375 2.820 0 50 DFAA CC(=O)NC(C)(C)c1noc([C@H]2C[C@@H]2c2ccc(F)cc2F)n1 193202982 ZHTKSYSMTJTVBS-NEPJUHHUSA-N 321.327 2.990 0 50 DFAA CN(Cc1cscn1)C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C 194688880 YYIYOSBXQHGCEZ-CYBMUJFWSA-N 323.462 2.529 0 50 DFAA C[C@H](NC(=O)[C@@H]1CCCN1)c1ccc(F)c(C(F)(F)F)c1 195554822 DHCJDRVCNVYAHP-UFBFGSQYSA-N 304.287 2.774 0 50 DFAA C[C@]1(CCC(=O)N2CC[C@@H](c3ccccc3F)C2)CCC(=O)N1 12218806 YNOQFOARWXFRJP-FZKQIMNGSA-N 318.392 2.591 0 50 DFAA Cc1ocnc1C(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12580268 VVRPCTOHPVZDOJ-AWEZNQCLSA-N 305.422 2.900 0 50 DFAA N[C@H]1C[C@@H](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)[C@@H]2C[C@H]12 1857532522 YQHKSZUDILQXGS-BARDWOONSA-N 324.346 2.573 0 50 DFAA COC(=O)C1CCN(CC(C)=Cc2ccc(OC)cc2)CC1 1857533306 MBAFPMNWGXKXKY-UHFFFAOYSA-N 303.402 2.984 0 50 DFAA Cc1cc(C)n(CCC(=O)Nc2cc(Cl)cc(C(=O)O)c2)n1 316925251 DTJHMZDIMOMVRF-UHFFFAOYSA-N 321.764 2.880 0 50 DFAA Clc1cccc(-c2nc(=N[C@@H]3CCO[C@@H]3C3CC3)o[nH]2)c1 328859868 YTHRHLDPQRMKTL-CHWSQXEVSA-N 305.765 2.791 0 50 DFAA Cc1nc(-c2cccc(C(=O)N3CC[C@H](C(=O)O)C3)c2)cs1 237811260 AGWHFSXUZBVTAV-ZDUSSCGKSA-N 316.382 2.665 0 50 DFAA CCOc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)cc1 236899954 IOFSGMRYTSICNG-AWEZNQCLSA-N 305.374 2.945 0 50 DFAA O=C(c1ccc2nc(O)[nH]c2n1)N(CC1CC1)c1ccccc1 339225086 FJZMXBPMCHQUBC-UHFFFAOYSA-N 308.341 2.720 0 50 DFAA CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]1C(=O)O 263168197 FQBYBHLOSMGAMI-VXGBXAGGSA-N 311.765 2.573 0 50 DFAA Cc1ccccc1[C@@H](O)CN1CC[C@@H](OCc2ccncc2)C1 805753691 RRCOQLJSBCDURO-MJGOQNOKSA-N 312.413 2.715 0 50 DFAA COc1nccc(C(=O)N2CCCc3ccc(Cl)c(F)c32)n1 905917260 OGWBRHPIMJGMPL-UHFFFAOYSA-N 321.739 2.871 0 50 DFAA Cc1ccc(CNC(=O)NCc2nc(C(F)F)no2)c(C)c1 914252274 XRCMSNSILBIFEA-UHFFFAOYSA-N 310.304 2.623 0 50 DFAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCn2cccc2C1 928959736 VRHOMTXESFNXCV-AWEZNQCLSA-N 324.302 2.583 0 50 DFAA COc1cc(NC(=O)N2CCCCc3ccccc32)n(C)n1 932431842 ZOWDMHGXKSSOHI-UHFFFAOYSA-N 300.362 2.804 0 50 DFAA COCCCCN[C@H](C)CC1CN(C(=O)OC(C)(C)C)C1 1875275596 AYJDKCRAMUXAML-CYBMUJFWSA-N 300.443 2.648 0 50 DFAA C[C@@H](Sc1nc(O)ncc1F)c1nnnn1C1CCCCC1 1875282009 JMBHHOIHWIZVGH-MRVPVSSYSA-N 324.385 2.666 0 50 DFAA NCc1ccc(NC(=O)[C@@H](O)c2cccc(Cl)c2)cc1F 1875340796 RSJNQNTYKSXLBX-AWEZNQCLSA-N 308.740 2.610 0 50 DFAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@@H](C)c3ccncc32)cc1 1875373736 NGNFDNFENNLVFC-CYBMUJFWSA-N 321.380 2.994 0 50 DFAA C[C@@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775993452 RDHGBUBIBZSDHQ-GJZGRUSLSA-N 322.453 2.508 0 50 DFAA C[C@@](C[C@@H]1CCOC1)(C(=O)O)n1cc(-c2ccccc2F)cn1 1776004048 MCBDWUKGEGNSDI-YVEFUNNKSA-N 318.348 2.916 0 50 DFAA CC1(C)CNC[C@H](c2nc(Cc3ccc(Cl)cc3)no2)O1 2325778157 FHUJOHZXDKKIHD-GFCCVEGCSA-N 307.781 2.753 0 50 DFAA Cn1cc(-c2ccc([C@]3(O)CCCNC3)cc2)c2ccncc21 2325792001 RNAUYOPGNOCYES-IBGZPJMESA-N 307.397 2.811 0 50 DFAA CC(C)(NC(=O)Cc1cnc(C2CC2)[nH]1)c1nc2ccccc2[nH]1 2325816603 GUZBDBBNBPVRMP-UHFFFAOYSA-N 323.400 2.757 0 50 DFAA N[C@H](CNC(=O)c1cnc2ccoc2c1)c1ccc(F)cc1F 2325855834 QTKYSKGOAAEYKV-CYBMUJFWSA-N 317.295 2.536 0 50 DFAA COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)NC3)cc1 226999 DHTAOKLCLVWLJI-QGZVFWFLSA-N 307.353 2.658 0 50 DFAA biogenic Cc1cc(=O)oc2ccc(OCC(=O)N3CCC(C)CC3)cc12 617529 INCKOMOUIOGUJF-UHFFFAOYSA-N 315.369 2.739 0 50 DFAA COc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1Cl 1064522 NFAJFFCUHNAWIL-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA Cc1cc(OCC(=O)NCC(C)C)ccc1Br 1215693 QVNXEJFEKICCNG-UHFFFAOYSA-N 300.196 2.909 0 50 DFAA O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@H]1COc2ccccc21 245426549 LKRIDFVEMHIGMU-ARFHVFGLSA-N 311.385 2.659 0 50 DFAA C[C@H](NC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1 2817827 OPBNUTWSUYEWJK-AWEZNQCLSA-N 300.402 2.871 0 50 DFAA CCCCS(=O)(=O)N1CCN(c2ccc(C)cc2)[C@H](C)C1 6698670 WJORSQIKUOVLGH-OAHLLOKOSA-N 310.463 2.635 0 50 DFAA COc1ccc([C@](C)(O)[C@H]2CCCN2CCC(C)(C)O)cc1 225525400 QHLRLQMAGSOKMW-AEFFLSMTSA-N 307.434 2.528 0 50 DFAA Cc1cc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)sc1C 111240048 ZBVYTUMCHAJKAE-GFCCVEGCSA-N 321.320 2.844 0 50 DFAA CCOC(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccc(Cl)nc1)C2 100049777 SLPRAMHKLMLDEH-RYUDHWBXSA-N 310.781 2.706 0 50 DFAA O=C(O)[C@@H]1CC[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccsc1 227213342 CCCCERQPHQNUTA-RDBSUJKOSA-N 307.415 2.925 0 50 DFAA C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nncn1C 20206984 HVAMBLRZDVWMBC-JTQLQIEISA-N 304.419 2.637 0 50 DFAA O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cnn(-c2cccnc2)c1 346084954 HCCSXBCMIKPYDW-MAUKXSAKSA-N 318.380 2.628 0 50 DFAA Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2cccnc2)c(C)c1 67755795 GQGAJGKKRODFQD-AWEZNQCLSA-N 311.385 2.857 0 50 DFAA COC(=O)c1n[nH]c2c1[C@H](/C(C)=C/c1ccccc1)CC(=O)N2 65526496 DOCVEBCBVBEMAC-OANVXVOSSA-N 311.341 2.726 0 50 DFAA C[C@H]1CN(CC(=O)N2CCC[C@H]2c2cccs2)C[C@@H](C)O1 229172959 QKMPHDPPXWUXEP-MJBXVCDLSA-N 308.447 2.521 0 50 DFAA COc1cccc(CN2CCCN(C(=O)C3CCC3)CC2)c1F 65405277 XYRWQHBHBWMJQZ-UHFFFAOYSA-N 320.408 2.669 0 50 DFAA CCn1cc(CNC(=O)[C@@]2(c3cccs3)CC2(C)C)cn1 67773547 VWRQNUVHIRMNCM-INIZCTEOSA-N 303.431 2.949 0 50 DFAA CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1 253370518 RXIVJGPZIABDMI-HLJWWWLNSA-N 312.413 2.606 0 50 DFAA CCO[C@@H]1C[C@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 252486915 OEYGDAJVOAEBJB-HRCADAONSA-N 308.466 2.571 0 50 DFAA O=C1c2ccncc2C(=O)N1c1ccc(Br)cc1 104047 ZWXLLEWQQINICE-UHFFFAOYSA-N 303.115 2.645 0 50 DFAA CCc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc1 252537189 KPNMVPCCZXTXBD-INIZCTEOSA-N 302.418 2.512 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(F)cc1F 215447334 LUYHWLQWAVCDNA-NSHDSACASA-N 315.316 2.875 0 50 DFAA C=CC(=O)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 328598580 NKPNVUHQIVLSDB-LBPRGKRZSA-N 321.726 2.820 0 50 DFAA CCOc1cc2c(cc1OC)[C@@H](NC(=O)c1ccco1)CC2=O 6783989 XNJAHNGWDNGJEG-LBPRGKRZSA-N 315.325 2.744 0 50 DFAA O=C(NCc1ccnc(-n2ccnc2)c1)Nc1ccc(F)cc1 363212270 LOVSAAYAWGVCAJ-UHFFFAOYSA-N 311.320 2.728 0 50 DFAA c1cncc([C@@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)c1 216073036 CCZLENZPWPVIOD-IBGZPJMESA-N 320.396 2.841 0 50 DFAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cncnc1N(C)C 331027196 XDVDLDIVLSFMEZ-NFAWXSAZSA-N 320.437 2.855 0 50 DFAA O=C(Nc1ccccc1OCCc1ccccc1)[C@@H]1CCNC1 151260339 FZKLHQIFOLOCTE-MRXNPFEDSA-N 310.397 2.856 0 50 DFAA COc1cc(C)sc1C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 154188169 FBQVIMAFKOGNEP-STQMWFEESA-N 308.447 2.621 0 50 DFAA Cc1nc(O)ccc1C(=O)N1CC2(CCC2)[C@H]1C1CCOCC1 333405251 GJOLJJNQDOCQRS-MRXNPFEDSA-N 316.401 2.517 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@H]1c1ccco1 370909117 CBYGKEZLZQTXIX-INIZCTEOSA-N 310.353 2.904 0 50 DFAA Cc1cc(C(=O)NCc2nc(C(C)(C)C)n[nH]2)c(C)n1C1CC1 458013347 BOYHOBLGHWWOLJ-UHFFFAOYSA-N 315.421 2.785 0 50 DFAA CCOc1ccccc1OC1CCN([C@@H](CC)C(=O)O)CC1 372789458 DYCGVCIUUQRMMX-AWEZNQCLSA-N 307.390 2.792 0 50 DFAA COc1cc(C(=O)N[C@H]2COCC2(C)C)cc(OC)c1C(C)C 456554734 VSYLMXMRVIEKOP-HNNXBMFYSA-N 321.417 2.982 0 50 DFAA O=C(NCc1ccc(OCC2CC2)nc1)N[C@H]1C[C@H]2CC[C@H]1C2 606496037 CUSBTFHXMONDMJ-BPUTZDHNSA-N 315.417 2.858 0 50 DFAA Cc1csc(CCCNC(=O)c2scc3c2OCCO3)n1 223106326 DDDIYWPDUQHVCD-UHFFFAOYSA-N 324.427 2.647 0 50 DFAA COc1ccc2c(C(=O)NC[C@H]3CCCCO3)cc(C)nc2c1 426691172 JXQRVXSAUAKEBV-CQSZACIVSA-N 314.385 2.851 0 50 DFAA CNC[C@@H]1CCN(C(=O)CCSc2ccc(Cl)cc2)C1 178986682 FFWQRVZMKJVROO-LBPRGKRZSA-N 312.866 2.890 0 50 DFAA Cc1ccn(CCN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)n1 91943002 FICKSQROBCGRND-VQTJNVASSA-N 324.472 2.788 0 50 DFAA CC(C)OCCCNC(=O)N1CCC(CCn2cccn2)CC1 426465434 JTMYDGDMXHMQQX-UHFFFAOYSA-N 322.453 2.510 0 50 DFAA CN(C)c1ccc(Cc2nc([C@@H](O)c3ccccc3)nn2C)cc1 95520146 PJFDKVYGWMSFCO-SFHVURJKSA-N 322.412 2.554 0 50 DFAA c1ccc(C2=NO[C@@H](CN3CCC(c4cc[nH]n4)CC3)C2)cc1 252495480 ORKNFCHWDVEIDW-MRXNPFEDSA-N 310.401 2.782 0 50 DFAA O=C(CC1(n2cccc2)CCOCC1)NC[C@H]1C[C@H]2C=C[C@H]1C2 263587715 KKSSVUOEJSCLAS-YESZJQIVSA-N 314.429 2.712 0 50 DFAA C[C@@H](NC(=O)CN(C)C1CCCC1)c1nc2ccccc2[nH]1 299783110 GRPFKDCSDGSYQX-GFCCVEGCSA-N 300.406 2.615 0 50 DFAA COC(C)(C)C(=O)N[C@H](C)c1cnn(-c2ccccc2F)c1 299784282 HNUFPYUKUSIZKA-LLVKDONJSA-N 305.353 2.614 0 50 DFAA Cc1nccn1C[C@@H](C)NCCc1cnn(-c2ccccc2)c1 821495618 OLGFHONHYAMVAN-OAHLLOKOSA-N 309.417 2.598 0 50 DFAA O=C(C[C@H]1CCOC1)N1CCC(Oc2ccccc2F)CC1 584900326 LXZIBEITUMKKDO-CYBMUJFWSA-N 307.365 2.622 0 50 DFAA C[C@@H](Cc1ccccc1Br)Nc1nccn(C)c1=O 268277714 AIOWOKDFXCQEOD-JTQLQIEISA-N 322.206 2.586 0 50 DFAA COCc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 268950748 SQOHCXXWOWCERX-BMFZPTHFSA-N 317.385 2.691 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(O)(c2ccccc2)CC1 277009821 IABAKNXSNQKHPP-JGWYNZBZSA-N 317.429 2.748 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 170596499 DLVHVLVMFJPRQB-NSHDSACASA-N 302.296 2.637 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)cc1 170881524 QMDKFTJAZDJEMU-OAHLLOKOSA-N 313.401 2.594 0 50 DFAA Cc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)cn1 186603311 OTPVERUZHHCXRR-GOSISDBHSA-N 324.428 2.570 0 50 DFAA Nc1ncnc2cc(C(=O)Nc3cc(C4CCCC4)[nH]n3)ccc12 668884554 MZAZOXNKQYJNNX-UHFFFAOYSA-N 322.372 2.845 0 50 DFAA NC(=O)C[C@@H]1CCCN(Cc2ncc(Cl)cc2Cl)CC1 671508759 RBBZGMDCLARRDD-SNVBAGLBSA-N 316.232 2.866 0 50 DFAA Cc1c(NS(=O)(=O)c2ccc(F)nc2)cnn1C1CCCC1 585119383 FXUVDTWWJRVPEM-UHFFFAOYSA-N 324.381 2.642 0 50 DFAA Cc1ccc(NC(=O)N2CCN(c3ccccc3)C(=O)C2)s1 680887681 QKOUOSICMDKGTG-UHFFFAOYSA-N 315.398 2.937 0 50 DFAA COc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1F 192957554 MIORMLBCVUFPDK-UHFFFAOYSA-N 320.408 2.811 0 50 DFAA C[C@H]1CC(NC(=O)N2CCC(c3ccon3)CC2)C[C@H](C)O1 660971099 JNLPKBVRRDUSFO-RYUDHWBXSA-N 307.394 2.520 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)Cc1ccc2ccccc2c1 1772700839 GCPHGNLTVKRAIE-RDTXWAMCSA-N 322.408 2.604 0 50 DFAA CN(Cc1cc(-c2ccccc2)no1)C[C@H]1CCC(=O)N(C)C1 1772813492 DDKCQAPXPWWONZ-CQSZACIVSA-N 313.401 2.642 0 50 DFAA COc1ccccc1/C=C/CN1CCC(=O)N(CC2CC2)CC1 12150697 NBUZQLYKAHDFCC-GQCTYLIASA-N 314.429 2.653 0 50 DFAA CCc1noc(C)c1C(=O)Nc1cc(OC)c(OC)c(OC)c1 13326043 QTPMWURZJGVZGI-UHFFFAOYSA-N 320.345 2.824 0 50 DFAA COc1ccc(CCNS(=O)(=O)Cc2ccccc2C)cc1 16577271 OFJHCEDAYMADFL-UHFFFAOYSA-N 319.426 2.666 0 50 DFAA C[C@@H]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 19831422 KUMRTRUSRFZJRG-IAGOWNOFSA-N 316.445 2.788 0 50 DFAA CCCn1cc(-n2ccnc2-c2cccc(OCCO)c2)cn1 1857695035 QSMWOSZXKSIDMR-UHFFFAOYSA-N 312.373 2.517 0 50 DFAA Cc1ncsc1CCN(C)C(=O)c1nc2ccccn2c1C 1857714180 MFOULEYQUNIENP-UHFFFAOYSA-N 314.414 2.722 0 50 DFAA O=C(O)C[C@H](NC(=O)[C@H]1CCCCO1)c1cccc(Cl)c1 776672338 CWBOWFQBSTXXDT-QWHCGFSZSA-N 311.765 2.541 0 50 DFAA CS[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[C@@H](O)C(C)C)C1 221966680 XBDMTLHOZGGCSG-UPJWGTAASA-N 302.484 2.613 0 50 DFAA CCc1ccc2occ(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1 262933963 BOYQFGIYXJASCJ-LBPRGKRZSA-N 301.342 2.932 0 50 DFAA CC1(C)Cc2cc(-c3csc(S(N)(=O)=O)c3)ccc2O1 904754581 QCIYYRQLUCQVSV-UHFFFAOYSA-N 309.412 2.776 0 50 DFAA O=C1CC[C@H](c2ccc(-c3cccc([C@H]4CCNC4=O)c3)cc2)N1 906210432 YTXVSRXJRISGSU-QZTJIDSGSA-N 320.392 2.908 0 50 DFAA CC1(C)NC(=O)CC[C@@H]1NC(=O)Nc1ccc(C(F)F)cc1 933097208 PUNHWXZCNPTGCY-NSHDSACASA-N 311.332 2.803 0 50 DFAA CC(C)n1ncnc1CNC(=O)c1ccsc1C(F)F 935747335 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2.524 0 50 DFAA CCN(Cc1nccs1)[C@H]1CCN(c2ccccc2)C1=O 135085914 CIEXERJKSNGVGS-AWEZNQCLSA-N 301.415 2.771 0 50 DFAA C[C@@H]1CN(CCN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CCO1 249365960 VVNTVVJJHRQINM-CHWSQXEVSA-N 308.388 2.618 0 50 DFAA C[C@@H](C(=O)N1CCCC1)N1CCO[C@@H](c2ccccc2Cl)C1 229575658 LJMHGYHIDLXHAP-XJKSGUPXSA-N 322.836 2.724 0 50 DFAA CCOCCCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](C)C1 229694960 FNKGSQCZFPQCIR-BBWFWOEESA-N 308.466 2.596 0 50 DFAA C[C@H](CCNC(=O)N(C)C[C@H]1CCC[C@H]1O)c1ccccc1 252477352 MNTFOJZKOCVAAA-DJIMGWMZSA-N 304.434 2.983 0 50 DFAA CCOc1ccc(NC(=O)N2CCOCC3(CCC3)C2)cn1 253418843 AWVWZBLYDNDWQW-UHFFFAOYSA-N 305.378 2.515 0 50 DFAA FC(F)(F)c1cnc([C@@H]2CCCN(CC3=CCCOC3)C2)[nH]1 328587973 KSSFUDTZESKZSZ-GFCCVEGCSA-N 315.339 2.955 0 50 DFAA C[C@H](C1CCN(C(=O)Cc2ccccc2O)CC1)N1CCCC1 72430256 HXNSFDAITYITAL-OAHLLOKOSA-N 316.445 2.658 0 50 DFAA Cn1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cccc1=O 155047339 MDWKIDSROZTJRG-UHFFFAOYSA-N 311.385 2.628 0 50 DFAA CC(C)N1CCCC[C@@H]1C(=O)N1CCC2(CCOCC2)CC1 375923658 XVGLSXAEMSOQME-MRXNPFEDSA-N 308.466 2.669 0 50 DFAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(c2ncccn2)C1 71735959 FXMCEQFEKZACMV-KRWDZBQOSA-N 317.820 2.952 0 50 DFAA CN[C@@H](C)CNC(=O)COc1ccc(Cl)c2ccccc12 261873271 ZYEMRHOTUILNQJ-NSHDSACASA-N 306.793 2.596 0 50 DFAA CC(C)(C)n1cc(CN[C@H]2CCc3ccccc3OC2)nn1 370551353 GGKGEMPNLIVIGZ-AWEZNQCLSA-N 300.406 2.517 0 50 DFAA CC1CCC(NC(=O)c2ccc3cc[nH]c3c2)(C(=O)O)CC1 236819152 TXYGWEVNMQKGMT-UHFFFAOYSA-N 300.358 2.931 0 50 DFAA Cc1nn(C)c2ncnc(N3CCc4c([nH]c5ccccc45)C3)c12 72472989 NXMGVPCTAHEHBC-UHFFFAOYSA-N 318.384 2.716 0 50 DFAA COc1nccnc1-c1cc(O)cc(CC[C@@H]2CCCCN2)c1 71765580 POSJGELEIUPRAE-HNNXBMFYSA-N 313.401 2.933 0 50 DFAA C[C@H](Sc1nncs1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 241124293 JHAFGDZKNDFOGD-UHFZAUJKSA-N 311.476 2.960 0 50 DFAA CO[C@H](C)c1nc(CN(C)[C@H]2Cc3ccccc3[C@@H]2O)cs1 241644658 PSNMMBFCLUIMKC-RLCCDNCMSA-N 318.442 2.941 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)CC1 72127224 QNORFMKNDRWAQE-OAHLLOKOSA-N 313.401 2.898 0 50 DFAA Cc1cccc(OCCN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 284818212 ODPMDEKKIAJMQK-OTWHNJEPSA-N 319.445 2.626 0 50 DFAA Cc1noc(C(C)(C)NC(=O)c2cc(C3CCCCC3)n[nH]2)n1 285776949 SOJGSIIOUMQFQY-UHFFFAOYSA-N 317.393 2.814 0 50 DFAA C[C@H](CC(=O)O)NC(=O)COc1ccc(Cl)c2ccccc12 263111001 BAJAJGOYXGZTDH-SNVBAGLBSA-N 321.760 2.851 0 50 DFAA O=C(Cc1ccc(F)cc1F)N1CC[C@H](N2CCCCC2)C1 87323911 IQYBZNARFXLBRY-HNNXBMFYSA-N 308.372 2.594 0 50 DFAA O=C(NCc1ccccn1)Nc1nc(-c2ccccc2)ns1 48066891 NACMLOBIFRHKBF-UHFFFAOYSA-N 311.370 2.922 0 50 DFAA CON1CCC(CC(=O)N[C@@H](C)c2cccc(F)c2F)CC1 613169115 NKIXQRJUYQCWDV-NSHDSACASA-N 312.360 2.806 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccccc2C(C)=O)CCN1C(C)C 82121722 KVOJEVWAJSVBKW-OAHLLOKOSA-N 302.418 2.834 0 50 DFAA O=C(c1cc(C(F)F)[nH]n1)N1CCC(Cc2cccnc2)CC1 426360126 JDCNNGYHYSOOAG-UHFFFAOYSA-N 320.343 2.837 0 50 DFAA COc1ccc2c(c1)O[C@H]1c3ccc(O)cc3O[C@H](OC)[C@@H]21 238739150 VDHFFCPQILOKFG-ULQDDVLXSA-N 300.310 2.983 0 50 DFAA biogenic COc1ccc(C(F)(F)F)nc1I 238355118 IADOTKILLWECGU-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA COCc1cccc(C(=O)NC2(c3cc(F)ccc3F)CC2)n1 97775468 KKBSVOQQIZQKKJ-UHFFFAOYSA-N 318.323 2.925 0 50 DFAA BrC1(Br)CC12[C@@H]1[C@H]3[C@@H]4[C@H]5[C@@H]([C@@H]51)[C@@H]2[C@H]43 254875237 SAJYWOSOSGXRGO-BCKQRKSNSA-N 302.009 2.860 0 50 DFAA CCn1ccnc1[C@@H]1CCCCN1Cc1cc(COC)on1 297293719 ABHSZPBKFKZZFY-HNNXBMFYSA-N 304.394 2.765 0 50 DFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCOc2ccccc21 299553003 HBPFLNCQVQYXCF-OCCSQVGLSA-N 318.417 2.567 0 50 DFAA CCn1ncc(CNC(=O)N2CCCC[C@H]2CCCOC)c1C 534586360 OKPVVLUXXJJAOL-INIZCTEOSA-N 322.453 2.702 0 50 DFAA CCc1cnc(C)nc1N1CCN(c2ccc(F)cc2F)CC1 823538432 INLQMDWXCNDMBK-UHFFFAOYSA-N 318.371 2.952 0 50 DFAA O=C(CCN1CCCCCC1=O)NC1(c2ccccc2)CC1 828001244 GWTGESJRAQYJAA-UHFFFAOYSA-N 300.402 2.585 0 50 DFAA Cc1cc(NC(=O)c2c(C)ncnc2C)ccc1N1CCCC1=O 952974813 XBQXYQOWYRUGHM-UHFFFAOYSA-N 324.384 2.781 0 50 DFAA Cc1cc(O)nc(C(=O)N2CCCC[C@H]2c2nccs2)c1 408002712 FUOODQNUHRFVEY-LBPRGKRZSA-N 303.387 2.920 0 50 DFAA CC(C)=C[C@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(C)C 408473581 AYRMMADJHJAQCJ-XQLPTFJDSA-N 317.433 2.605 0 50 DFAA c1ccc(C(c2ccccc2)N2CC(N3CCOCC3)C2)cc1 166400500 WESDDKGEBHTDKM-UHFFFAOYSA-N 308.425 2.792 0 50 DFAA CCc1csc([C@@H]2CCCN(C(=O)c3cncnc3)C2)n1 273703670 JOZGOXIDTDSVNW-LLVKDONJSA-N 302.403 2.515 0 50 DFAA CCCOc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1OC 170595418 RDVHEWHDTIGXCQ-ZSEKCTLFSA-N 313.463 2.683 0 50 DFAA CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(CC(=O)O)cc2)C1 668281841 DNQLCQFWZVBXEG-UKRRQHHQSA-N 305.374 2.848 0 50 DFAA C[C@H](NC(=O)CCc1cccc(OC(F)F)c1)c1cnccn1 636152102 ILJUWEMJWVTNIU-NSHDSACASA-N 321.327 2.888 0 50 DFAA O=C(CCc1ccon1)N1CCO[C@@H](c2ccccc2Cl)C1 646799154 IBYKNJVDTZSFMI-OAHLLOKOSA-N 320.776 2.861 0 50 DFAA Nc1cccc2cc(S(=O)(=O)N3CCC[C@H]4C[C@@H]43)ccc12 1615587126 JDGKYHZZTMKOEJ-LRDDRELGSA-N 302.399 2.595 0 50 DFAA O=C1CCN(Cc2ccoc2)CCN1CCCc1ccccc1 1506423103 WGKNHPMYHUAZHQ-UHFFFAOYSA-N 312.413 2.947 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](n2cc(Br)cn2)C1 116147311 JCPSQLNKHVGZJG-JTQLQIEISA-N 316.199 2.828 0 50 DFAA in-vitro Cc1cc(Br)cc2[nH]c(-c3nccnc3N)nc12 129637589 MCCQRBUUFQRERD-UHFFFAOYSA-N 304.151 2.673 0 50 DFAA O=C(N[C@@H]1CS/C(=C/c2ccccc2)[C@H]1O)c1ccccc1 5092495 UZBLNGWIYWKEKG-ZMDOAHJVSA-N 311.406 2.934 0 50 DFAA O=C(CC(F)(F)F)N[C@@H]1CCCN(Cc2ccccc2F)C1 12588712 NILTVEMJUKJYIB-GFCCVEGCSA-N 318.314 2.859 0 50 DFAA COc1ccccc1CN1CCN(C(=O)c2ccccc2)CC1 19831876 WZRDLCOEHCZQLL-UHFFFAOYSA-N 310.397 2.653 0 50 DFAA CN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O 168983042 NGDXEOHYWJHBTJ-UHFFFAOYSA-N 322.343 2.874 0 50 DFAA Cc1nc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cn1C 1857695643 SBKDNCFFYSFQDY-UHFFFAOYSA-N 313.380 2.685 0 50 DFAA CCC[C@H]1COC[C@H]2CN(c3nc4ccccc4s3)CCN12 1857726683 CEOJDSFLGDNTOL-UONOGXRCSA-N 317.458 2.986 0 50 DFAA Cn1cc2c(n1)CCC[C@H]2C(=O)Nc1ncc(F)cc1Cl 637435702 XXZSHJKTMMDWLH-SECBINFHSA-N 308.744 2.666 0 50 DFAA Cn1ncc(NC(=O)N2CCOC[C@@H]2c2ccccc2)c1Cl 874435475 UXMXTOXMYDLJTB-CYBMUJFWSA-N 320.780 2.679 0 50 DFAA CC(C)(C)c1cc(=O)n(C[C@@H](O)c2ccc(Cl)cc2)cn1 952847001 ZLVCHQUUDAZYON-CYBMUJFWSA-N 306.793 2.928 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CC3CC(F)(F)C3)n[nH]c21 1875295924 AHBVHZPOBDWSBO-BDAKNGLRSA-N 313.348 2.549 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2C[C@H](C)Cc3ccccc32)CC1 1875365661 MIKIUSOWVZRLGN-CQSZACIVSA-N 312.413 2.636 0 50 DFAA Cc1ccc(-c2nc(CN(C=O)[C@@H](C)CCO)cs2)cc1 1875325620 QRNVHHFFCLAKBW-ZDUSSCGKSA-N 304.415 2.848 0 50 DFAA C[C@@H](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775993454 RDHGBUBIBZSDHQ-LSDHHAIUSA-N 322.453 2.508 0 50 DFAA Cc1ccc([C@H](CC(=O)N[C@@H]2C[C@H]2C(F)(F)F)C(=O)O)cc1 899831839 AGTCAAKBWRVKST-QJPTWQEYSA-N 315.291 2.620 0 50 DFAA Cc1cc(C)c(S(=O)(=O)Nc2nc(C)cc(C)n2)c(C)c1 45663 RKBCJPVMGDPJSG-UHFFFAOYSA-N 305.403 2.820 0 50 DFAA O=C(CCCCc1cccnc1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100539740 WISYLPMMGZPBHV-OSYLJGHBSA-N 302.418 2.556 0 50 DFAA Cc1[nH]c2ccccc2c1Cc1noc(CCc2nccn2C)n1 2325774143 FCHQHOPCYWUJIE-UHFFFAOYSA-N 321.384 2.969 0 50 DFAA O=S(=O)([C@@H]1C[C@H]2CCC[C@@H]21)N1CC(CC(F)F)(C2CC2)C1 2325783905 JTYPVZVTCPMGJM-KGYLQXTDSA-N 319.417 2.872 0 50 DFAA CCCC[C@H](CC)C(=O)N1C[C@H](C(=O)O)CC12CCOCC2 2325784574 WGUUZVRAJSUVAM-UONOGXRCSA-N 311.422 2.685 0 50 DFAA Cc1cn2c(n1)CC[C@@H](CN(C)c1cc(O)nc3ncccc13)C2 2325789473 RRHGTPGGLOTVEP-ZDUSSCGKSA-N 323.400 2.539 0 50 DFAA c1ccc([C@]2(NCc3ccc(-n4cccn4)cc3)CCNC2)cc1 2325826172 RKVICDZHIXJJEU-FQEVSTJZSA-N 318.424 2.851 0 50 DFAA Cc1ccoc1-c1nc([C@H]2C[C@@H](O)C2)n(-c2cccnc2C)n1 2325875997 HZDGTRXGNWMSHS-BETUJISGSA-N 310.357 2.777 0 50 DFAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1 119643 GPYPNGXBFKBULB-LLVKDONJSA-N 315.325 2.799 0 50 DFAA COc1ccc([C@@H]2C[C@H](c3cccnc3)Nc3ncnn32)cc1 221728 ILEGUXVVQLBJKW-CVEARBPZSA-N 307.357 2.828 0 50 DFAA O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 237387 ABFLDFICOGECPZ-UHFFFAOYSA-N 301.685 2.839 0 50 DFAA COc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1 614656 OJZDSQQBUYCBJW-UHFFFAOYSA-N 315.354 2.812 0 50 DFAA CN(Cc1cccc(Cl)c1F)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356167576 TXXVMMDYDGYJOE-XQQFMLRXSA-N 310.800 2.826 0 50 DFAA Cc1ccc(CNC(=O)C(=O)NCCC2CCCCC2)cc1 2853544 YDUIDIFKQDGUFX-UHFFFAOYSA-N 302.418 2.698 0 50 DFAA COc1ccc(OC)c(NC(=O)c2ccc3nccnc3c2)c1 4820744 IFMNIBHWWKEVRV-UHFFFAOYSA-N 309.325 2.899 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccs1 4852837 IQIIOJLOLGVALX-UHFFFAOYSA-N 308.790 2.965 0 50 DFAA CC(=O)N1CCC(C(=O)Nc2nc3c(C)cccc3s2)CC1 6729994 LJLZJEOGZLKUGS-UHFFFAOYSA-N 317.414 2.802 0 50 DFAA Cc1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1C 6743117 WKDKZFFDYUCAHM-UHFFFAOYSA-N 323.352 2.759 0 50 DFAA C[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC[S@@]1=O 225447567 OIPLZKXTAGEIAW-UGZDLDLSSA-N 320.241 2.977 0 50 DFAA CC(C)[C@H](CN1CCN(C(=O)N(C)C)CC1)c1ccccc1 225412670 WWYWLEYKPKXGBE-KRWDZBQOSA-N 303.450 2.725 0 50 DFAA COc1ccc([C@H]2CC(=O)Nc3[nH]nc(C(C)(C)C)c32)cn1 65509024 MQTHRKOMVDKAER-SNVBAGLBSA-N 300.362 2.585 0 50 DFAA COC(=O)c1oc([C@@H](C)Sc2ncnc3[nH]cnc23)cc1C 119432177 MYHVMCHHHNJCJR-MRVPVSSYSA-N 318.358 2.894 0 50 DFAA CCOCCn1cnc(-c2ccccc2)c1-c1ncnn1CC 65421535 JANDBQBUHZXEDP-UHFFFAOYSA-N 311.389 2.865 0 50 DFAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 62869620 RCTOYAHWZMJPQJ-OAHLLOKOSA-N 311.765 2.763 0 50 DFAA CNC(=O)c1cccc(CNC(=O)N(C)c2ccc(F)cc2)c1 252537562 LOOYOAAQWIWXQJ-UHFFFAOYSA-N 315.348 2.531 0 50 DFAA CN(C)c1ccc(CCC(=O)NCCC[C@H]2CCOC2)cc1 218926939 GAIRSMDHIZOIIL-INIZCTEOSA-N 304.434 2.618 0 50 DFAA Cc1c(-c2cc(C(=O)N(CC3CC3)C(C)C)no2)cnn1C 71750890 SFGKCYLZJDMSLG-UHFFFAOYSA-N 302.378 2.644 0 50 DFAA CCOCCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1 219429764 XGUQBOXBVBLHHX-GFCCVEGCSA-N 305.353 2.615 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ccnc2cc(F)ccc12 359293418 FGYYRDZCUNXXJS-QILLFSRXSA-N 316.376 2.740 0 50 DFAA COc1ccc(N(C)C(=O)c2ccn(C3CCCC3)n2)cn1 150912370 OGKSHSRZPROPJC-UHFFFAOYSA-N 300.362 2.678 0 50 DFAA CC(C)(C)OC(=O)N1CCC(Nc2cncc(Cl)n2)CC1 71257069 CXRBBVCJYYJQEV-UHFFFAOYSA-N 312.801 2.941 0 50 DFAA CSCC(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 77425081 KTRWLDXRFNIHSY-HNNXBMFYSA-N 305.443 2.790 0 50 DFAA c1ccc(-n2ncnc2CN2CC[C@H](Cc3ccncc3)C2)cc1 375614839 WWBAONVHYVCDBS-QGZVFWFLSA-N 319.412 2.727 0 50 DFAA CC(C)(C)c1cc(CN2CCC(O)(c3cccnc3)CC2)[nH]n1 216042576 LHXLJPXFKJTADF-UHFFFAOYSA-N 314.433 2.586 0 50 DFAA O=S(=O)(N1CCCC1)N1CCCC[C@@H]1c1ccc(F)cc1 72152462 CIGFNADACPFFCM-OAHLLOKOSA-N 312.410 2.693 0 50 DFAA O=C(CC1CC1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72129796 LJUNVRYFJZJQKR-MISYRCLQSA-N 310.441 2.875 0 50 DFAA O=C(N[C@@H](C(=O)O)C1CC1)c1ccc(-c2ccc(F)cc2)o1 262115696 HTPOVLXTQXYWMA-CQSZACIVSA-N 303.289 2.679 0 50 DFAA CC1(C)NC(=O)CC[C@H]1NCc1c(F)cccc1OC(F)F 494962013 SVYCBOQWJYKRRO-GFCCVEGCSA-N 316.323 2.574 0 50 DFAA CC[C@H]1CN(C(=O)NCc2cc(C)cc(OC)c2)CCCO1 282507182 GUCNLRLDHOSMHI-HNNXBMFYSA-N 306.406 2.714 0 50 DFAA O=S(=O)(CCNc1ccc2cc[nH]c2n1)c1ccc(F)cc1 72440346 FDDRCKQTDOTLCP-UHFFFAOYSA-N 319.361 2.588 0 50 DFAA Cc1ccccc1[C@H]1CCCN(C(=O)CCn2ccccc2=O)C1 82160304 WHXDIBUSZYZWBL-KRWDZBQOSA-N 324.424 2.953 0 50 DFAA O=C1CSc2ccc(NC(=O)C(F)(F)C(F)F)cc2N1 175788078 DTQBFRMNNRYKEU-UHFFFAOYSA-N 308.256 2.570 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N[C@@H](C)Cn1nc(C)cc1C 220710916 GAYDHCPMXMBOLL-JTQLQIEISA-N 323.343 2.605 0 50 DFAA CCSCCN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 426535632 FZYKXZRUZVWQIZ-MRXNPFEDSA-N 318.486 2.878 0 50 DFAA Cc1cc(NC(=O)c2ccc(-n3ccnc3)nc2)cnc1Cl 178067875 PBUWPPZRAAQSNI-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA O=C(NCCCOC1CCCCC1)[C@H]1COc2ccccc2O1 198382149 VYZLYJOWFVUWJC-QGZVFWFLSA-N 319.401 2.682 0 50 DFAA CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(C)nc21 20604181 LXBIKXFTTAJAGW-MRVPVSSYSA-N 307.375 2.520 0 50 DFAA CCCN(CCC1=CCCCC1)C(=O)N[C@@H](C)Cn1cncn1 426621526 ARTYUTLURXULNL-HNNXBMFYSA-N 319.453 2.979 0 50 DFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(c1nnc(C)s1)CC2 426701470 RVHDSTXHXXKJCJ-IJEWVQPXSA-N 323.462 2.790 0 50 DFAA Oc1cccc(CN2CCC(Nc3nnc(C4CC4)o3)CC2)c1 95353736 DVSAIOANIVVULE-UHFFFAOYSA-N 314.389 2.729 0 50 DFAA CC1(C)CC(Cc2nc(-c3cccnn3)no2)CC(C)(C)N1 91848787 XIIYVCPKESPBAH-UHFFFAOYSA-N 301.394 2.626 0 50 DFAA Cc1ccsc1CN(CCN(C)C)C(=O)[C@@H]1CCCCO1 97653943 JJYSIGZKJJIHSO-AWEZNQCLSA-N 310.463 2.516 0 50 DFAA NCCc1cccc(CN2CCC[C@@](CO)(CC3CC3)C2)c1 91586848 SVGJKQKAIOJTGH-LJQANCHMSA-N 302.462 2.562 0 50 DFAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccn(C(C)(C)C)c1 95384877 HDHRFKZFUVUKPD-MRXNPFEDSA-N 319.449 2.764 0 50 DFAA Cc1nnnn1Cc1nc(C2CCCC2)nn1C1CCCCC1 96164968 KBRMDNPJRSRUTP-UHFFFAOYSA-N 315.425 2.784 0 50 DFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)c1nnc(C2CCC2)o1 95358486 AMKSMWGWWUEDQN-GFCCVEGCSA-N 318.421 2.564 0 50 DFAA CC1(C)C[C@@H](NC(=O)[C@](C)(O)c2ccc(Cl)cc2)CCO1 293692038 XQIIRPQRALQSOP-XJKSGUPXSA-N 311.809 2.621 0 50 DFAA CN1CCCCC[C@@H]1C(=O)N1CCCN(c2ccccc2)CC1 91486774 WUNWYYILZCEWCN-GOSISDBHSA-N 315.461 2.600 0 50 DFAA CNc1ncccc1C(=O)N[C@@H](c1ccccn1)C(F)(F)F 97819707 OYRMDSVSQQLTMC-NSHDSACASA-N 310.279 2.552 0 50 DFAA O[C@@H](c1ccccn1)C1CCN(CCCc2cccnc2)CC1 244724328 MRXJVVRVPWCFGM-LJQANCHMSA-N 311.429 2.855 0 50 DFAA 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300.280 2.621 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC3(CCOCC3)C2)n1 407993157 LVLVLPSPSHQWQO-UHFFFAOYSA-N 304.390 2.512 0 50 DFAA OC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 221762321 NOBONNGYUUDDDU-JAZQRGJZSA-N 314.473 2.648 0 50 DFAA C[C@]1(O)C[C@@H](NC(=O)[C@@H](c2cccnc2)C2CCCCC2)C1 633441393 BOMAOVQUTILRDL-NUJGCVRESA-N 302.418 2.775 0 50 DFAA Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)sc2ccc(F)cc12 188957529 YQFGIVPIQJXUBU-SNVBAGLBSA-N 320.389 2.699 0 50 DFAA O[C@@H](c1ccc(F)cc1)c1nccn1Cc1nccn1C(F)F 189497268 RZYWTJNEZYXFOT-ZDUSSCGKSA-N 322.290 2.744 0 50 DFAA COC[C@H](OC)c1noc(CCCOCc2ccccc2)n1 585120216 AGIDFTDQYMSJNS-AWEZNQCLSA-N 306.362 2.553 0 50 DFAA Cc1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)c(C)n1 191751170 AZRYEQKCPCSJOH-IBGZPJMESA-N 323.440 2.931 0 50 DFAA CC(C)[C@@H]1N(C(=O)CCn2ccccc2=O)CC12CCCC2 654566608 IWRUGESVARUZSN-KRWDZBQOSA-N 302.418 2.666 0 50 DFAA Cc1ocnc1C(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1 1615001774 UABZTDLDNOMGBI-UHFFFAOYSA-N 322.368 2.976 0 50 DFAA CC(C)(C)[C@H]1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1 1615587847 TVILSDDBFTWFKQ-GFCCVEGCSA-N 318.339 2.844 0 50 DFAA Cc1ccc(F)cc1C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1616030029 YGGNDWNUYOZVOP-OAHLLOKOSA-N 314.360 2.640 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 451954 ZEKQJHZGLRWWOL-SECBINFHSA-N 304.173 2.620 0 50 DFAA O=C(/C=C/c1ccc(Br)cc1)NC[C@H]1CCCO1 442540 GHSYBJRDWGMWFG-OQHXTRMZSA-N 310.191 2.758 0 50 DFAA Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)n1 1848442366 JDDAJJFVWJZFDU-NSHDSACASA-N 305.765 2.713 0 50 DFAA Cc1n[nH]cc1CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C 123171663 NDNVBIXQXZQFCO-INIZCTEOSA-N 310.442 2.747 0 50 DFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)C1CCC1 12192351 MQLDRJTUOQSLJW-QGZVFWFLSA-N 322.408 2.857 0 50 DFAA O=C(Nc1ccc(F)cc1)c1ccc(Cl)cc1-n1cnnn1 12391407 IUCKMHKIWZCWBE-UHFFFAOYSA-N 317.711 2.707 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@]2(C)C1 1857689618 ICAHSXXNEUOYLC-HNAYVOBHSA-N 309.413 2.900 0 50 DFAA Cc1nc(N(C)Cc2nc3ccc(F)cc3[nH]2)c2[nH]ccc2n1 1857692994 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Cc1ncn(-c2ccc(NC(=O)N=c3cc[nH]cc3)cc2)c1C 1875260573 XDQMJTBFVCLUDK-UHFFFAOYSA-N 307.357 2.950 0 50 DFAA c1ccc(CN2CCCN(c3ncnc4cccnc34)CC2)cc1 1875293822 DHSLNRSXTISVKP-UHFFFAOYSA-N 319.412 2.737 0 50 DFAA CCC[C@@H](NC(=O)CCc1nnc(C)n1C)c1ccccc1 1875280196 ZFJSCQFUJOAPON-OAHLLOKOSA-N 300.406 2.714 0 50 DFAA CN(C)C/C=C/C(=O)N[C@H](Cc1cccc(O)c1)c1ccccc1 1875379792 WVMAFCFZXLPTMT-LKQLOZHYSA-N 324.424 2.910 0 50 DFAA COCc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)o1 888102939 WEAOUWQZIQTMCF-CVEARBPZSA-N 319.405 2.728 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2cccc3c2OCC3)cc1 844233835 TXPIVXWHIMWRLG-CYBMUJFWSA-N 309.365 2.634 0 50 DFAA C[C@H](c1ccccc1)N1CCC(Nc2ncc3ncnc-3[nH]2)CC1 2325780443 GXKMRFQNELYVHR-CYBMUJFWSA-N 322.416 2.942 0 50 DFAA O=S(=O)(c1cccc2cccnc12)n1cnc2ccccc21 284240 UVNUKMIOEIQWBO-UHFFFAOYSA-N 309.350 2.822 0 50 DFAA CN(C[C@H]1CCCO1)c1noc(-c2ccccc2)c1C(=O)O 2356142943 OJPDMYCZGFOJQG-GFCCVEGCSA-N 302.330 2.655 0 50 DFAA Cc1nc(O)c2c(n1)CN(Cc1cccc3ncsc13)CC2 2356169169 VSFFCVCFTAEHPM-UHFFFAOYSA-N 312.398 2.659 0 50 DFAA Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(C)C3=O 4840410 UTDDLUCKLSUARS-INIZCTEOSA-N 321.332 2.982 0 50 DFAA COc1ccc(CN(C)C(=O)c2c(OC)cccc2OC)cc1 6697358 VDMRSSIDXIFYBX-UHFFFAOYSA-N 315.369 2.985 0 50 DFAA CCc1ccc([C@@H](C)NC(=O)C2CN(CC(F)(F)F)C2)cc1 225412458 FKAXUCNZKNWEOP-LLVKDONJSA-N 314.351 2.920 0 50 DFAA Cc1ccc(CN(CC(C)C)C(=O)[C@H]2CCCN2C(N)=O)cc1 55281390 UWKZHRUBROOWNE-MRXNPFEDSA-N 317.433 2.523 0 50 DFAA COc1ccc(CN2CC[C@@H](CNC(=O)C3CCC3)C2)cc1C 67741937 BJFUHNCZXZEQJT-INIZCTEOSA-N 316.445 2.742 0 50 DFAA c1ccc(CCN2CCc3[nH]cnc3[C@@H]2c2ccccn2)cc1 67921505 GKBHONHOMUPVNT-IBGZPJMESA-N 304.397 2.995 0 50 DFAA O=C(O)c1cc(O)cc(-c2ccccc2CN2CCOCC2)c1 67723290 LSVSTZICSAFNRI-UHFFFAOYSA-N 313.353 2.590 0 50 DFAA Cc1cccc([C@@H]2CCCN2S(=O)(=O)C[C@H]2CCOC2)c1C 110625558 ITFYDELJDKLERP-RDJZCZTQSA-N 323.458 2.807 0 50 DFAA Cc1nc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)o1 253430982 GGWCSMCJNQDCKQ-QGZVFWFLSA-N 314.385 2.877 0 50 DFAA CO[C@]1(C)C[C@H](N(C)C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1(C)C 248840680 NSGXFPXXFXIHNE-JTOWHCCKSA-N 324.465 2.789 0 50 DFAA O=C(CCCn1cncn1)NCC1(c2ccc(Cl)cc2)CC1 67179245 CEZUXIISUFKQDB-UHFFFAOYSA-N 318.808 2.560 0 50 DFAA CCCc1nc(CNC2CCN(C(=O)OCC)CC2)cs1 65492335 JIEJCSWMQCZMLJ-UHFFFAOYSA-N 311.451 2.806 0 50 DFAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 215326 SPKTYROISMAOCH-IRXDYDNUSA-N 311.381 2.969 0 50 DFAA CC[C@@]1(c2ccc(Cl)cc2)N=C(O)N(c2cccnn2)C1=O 328595389 TVQZLJDDBFJAPD-HNNXBMFYSA-N 316.748 2.696 0 50 DFAA C[C@@](O)(c1cccnc1)c1cc(-c2ccc3c(c2)OCO3)no1 6658007 QVWVCUKBWGDPHI-QGZVFWFLSA-N 310.309 2.721 0 50 DFAA O=C(NCC1(c2ccccn2)CCC1)[C@@H]1Cc2ccccc2O1 367800776 GIYIWTMOOKIGPZ-INIZCTEOSA-N 308.381 2.623 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)no1 252491889 LYJDXAONVGDYMT-ZYHUDNBSSA-N 323.393 2.501 0 50 DFAA C[C@H](C(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1)c1cccs1 331536365 XCQHGHLAZBCGPK-SGMGOOAPSA-N 319.430 2.622 0 50 DFAA Cn1cc(CSC[C@H]2CN(c3ccccc3)CCO2)cn1 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530162677 QXHGQFJKCSWQEG-UHFFFAOYSA-N 311.385 2.977 0 50 DFAA Cc1nc(CN2CCN(c3ccccc3)C(=O)C2)c(C)s1 360630770 XWNHPFYHIWVLLE-UHFFFAOYSA-N 301.415 2.609 0 50 DFAA Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccccc1)C1CC1 299795455 LIUCLDITCNDIAB-KRWDZBQOSA-N 311.385 2.651 0 50 DFAA Cc1ocnc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 828215433 KMGZMTXPYZXGEH-GFCCVEGCSA-N 302.330 2.793 0 50 DFAA COCC1(CNC(=O)C2(N3CCCC3)CCCCC2)CCC1 670460666 QGNKFAQYZVBWPK-UHFFFAOYSA-N 308.466 2.718 0 50 DFAA CN(C[C@@H](O)c1cccnc1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 1456940417 YFESLOVQSXUPNW-YQVWRLOYSA-N 310.397 2.551 0 50 DFAA c1ccc(O[C@H]2COCC[C@@H]2Nc2nc3ccccc3o2)nc1 1565515153 WXOTWYIOZJLIJC-ZFWWWQNUSA-N 311.341 2.871 0 50 DFAA Cn1c(CNC(=O)NCC2CCC2)nc2cccc(Cl)c21 274721490 UTSHBAQWLHUKSI-UHFFFAOYSA-N 306.797 2.826 0 50 DFAA CC(C)N(Cc1cccs1)C(=O)c1ccnc(C(=O)O)c1 168915371 XHCKDMMXMKYEQA-UHFFFAOYSA-N 304.371 2.892 0 50 DFAA CC1(C)COC2(CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)OC1 170020814 PFCXJEKFLVZFEX-LSDHHAIUSA-N 307.434 2.814 0 50 DFAA 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COc1ccc(CNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 215252 XNVMDMWGPLQKOE-CVEARBPZSA-N 317.385 2.759 0 50 DFAA aggregator CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 243723 IZGJRVSWDWAPIW-UHFFFAOYSA-N 309.321 2.972 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 378742 ZIGPBAMAQTYVPJ-JTQLQIEISA-N 312.441 2.920 0 50 DFAA CC(C)NC[C@@H](O)Cn1c2c(c3ccccc31)CCCC2=O 4123278 AWBLKILPPQLVJA-CYBMUJFWSA-N 300.402 2.519 0 50 DFAA CN(C)c1cc(NC(=O)CNC(C)(C)C)c2ccccc2n1 4575807 IKSMZMPUSVQPES-UHFFFAOYSA-N 300.406 2.627 0 50 DFAA O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccco1 4870330 MVIDYDSKEFMPJE-CQSZACIVSA-N 300.314 2.649 0 50 DFAA CC(=O)Oc1ccccc1N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 101358761 QVCYCKPBQCRXGT-RYUDHWBXSA-N 319.744 2.634 0 50 DFAA O=C(Cc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCOC2)c1 55052598 VMFXLVVVJRSXQW-OAHLLOKOSA-N 324.380 2.843 0 50 DFAA COc1ccc(NC(=O)c2ccc(-n3nncc3C)cc2)cc1 9764006 RVMGHYSYIDMHOJ-UHFFFAOYSA-N 308.341 2.837 0 50 DFAA Cc1c(NC(=O)c2csnn2)cccc1C(=O)NC(C)(C)C 55401609 NVNWFHCXPPMTRY-UHFFFAOYSA-N 318.402 2.627 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(-n2ccnc2)nc1 247859479 LZYRVGTWOBNBLZ-BPUTZDHNSA-N 310.401 2.710 0 50 DFAA CC(C)(C)OC(=O)Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32 100006519 MTQZYRRVIHTEPU-UHFFFAOYSA-N 300.318 2.751 0 50 DFAA O=C(c1ccncc1)N1CCN(c2ccc3ccccc3n2)CC1 20033275 MHPUIBLIRIJKFE-UHFFFAOYSA-N 318.380 2.592 0 50 DFAA Cc1nc([C@H](C)n2cnc3ccccc32)n(-c2ccccn2)n1 65496908 TUJQYOSIWGBSOE-LBPRGKRZSA-N 304.357 2.930 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ccnn2[C@H](C)C2CC2)C[C@@H](C2CC2)O1 329831296 KNECRWMDRWJXMU-JMSVASOKSA-N 318.421 2.885 0 50 DFAA COc1cc(OC)cc(C(=O)NOCc2ccc(C)cc2)c1 2803233 BELIXGMTDSTZLT-UHFFFAOYSA-N 301.342 2.874 0 50 DFAA C[C@@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 35585375 OMVRDZBBIJBYQG-CVEARBPZSA-N 322.474 2.572 0 50 DFAA CO[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 331774568 CTOVYSWUSXZZOV-RBSFLKMASA-N 305.422 2.895 0 50 DFAA CC(C)(C(=O)Nc1nc2c(s1)COCC2)c1cccnc1 332283416 IHRKSJLPDAFVJH-UHFFFAOYSA-N 303.387 2.527 0 50 DFAA CC(=O)[C@@H]1[C@H](c2ccccc2F)c2c(noc2C)C[C@]1(C)O 33837873 RYOXSGBQXZYRKQ-ZACQAIPSSA-N 303.333 2.766 0 50 DFAA O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 375771713 WINIHIAIOFSUBG-DMRZNYOFSA-N 301.434 2.990 0 50 DFAA CCc1csc(CNC(=O)c2ccccc2[C@H]2CCNC2)n1 72151338 ZNHAYTNWMZLBLK-LBPRGKRZSA-N 315.442 2.712 0 50 DFAA CCn1c(C(=O)N2CC[C@](C)(C(=O)O)C2)cc2ccccc21 237197847 SBKZCWRCXINBII-KRWDZBQOSA-N 300.358 2.598 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 237491870 VASBYDRMBZOSSZ-OIMNJJJWSA-N 308.372 2.654 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccoc2Cl)c1 282503129 NJIFKQHQDWUUQC-SMDDNHRTSA-N 321.760 2.890 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cc(C)oc2C)c1 282644787 XJHRSXMYIDLQMG-RHSMWYFYSA-N 315.369 2.853 0 50 DFAA Cc1cncc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)c1 72477519 XHPYGXGNHKPUDW-HNNXBMFYSA-N 324.380 2.793 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 238083618 OLLLNZYPQWCDIM-GPANFISMSA-N 301.386 2.894 0 50 DFAA O=C([C@@H]1CCCc2n[nH]cc21)N1CC=C(c2ccccc2F)C1 374840538 XXEDAOONJMICQE-CQSZACIVSA-N 311.360 2.895 0 50 DFAA Cc1ccccc1-n1c(CN)nnc1SCC[C@@H]1CCOC1 426518987 PBIFFNPZRFVUBQ-ZDUSSCGKSA-N 318.446 2.553 0 50 DFAA COc1ccc(C2(C(=O)N[C@@H](C)Cc3cc(C)n[nH]3)CC2)cc1 222479465 PYHVGUVWLPKVMF-LBPRGKRZSA-N 313.401 2.506 0 50 DFAA CCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](CNC)C1 178968616 PMETXDIQPZQPMD-GFCCVEGCSA-N 310.825 2.810 0 50 DFAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H]2c2c(C)noc2C)n1 426386928 QAHSVORIXJJRHW-OAHLLOKOSA-N 316.405 2.859 0 50 DFAA Cc1nc(NCc2noc([C@H]3CCCO3)n2)c2sccc2n1 91452194 ZXJHMBWCVXTTLR-SNVBAGLBSA-N 317.374 2.846 0 50 DFAA CCCn1cc(C(=O)N2CCC3(CCOCC3)CC2)c(C)n1 91548798 IWJQISLASZPMJD-UHFFFAOYSA-N 305.422 2.634 0 50 DFAA O=C(c1cccc(Cn2cccn2)c1)N1CC(c2cccnc2)C1 91616657 KNARSOWYJUEBID-UHFFFAOYSA-N 318.380 2.566 0 50 DFAA N[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 238051368 XHAHMMKEJRASNQ-KBPBESRZSA-N 302.422 2.528 0 50 DFAA O=C(O)[C@H]1CCC[C@@H](C(=O)NCCc2cc3ccccc3o2)C1 180018628 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CN(CCCNC(=O)Nc1cccc2[nH]ncc12)C1CCCC1 299788245 XWKHCGYBTASXFT-UHFFFAOYSA-N 315.421 2.949 0 50 DFAA C[C@@H](CN1CCOCC1)C(=O)N1CCC2(CCCCCC2)C1 670434379 QVEOQSBKIIPBFC-INIZCTEOSA-N 308.466 2.528 0 50 DFAA Cc1cccc2c(CCNC(=O)NO[C@@H]3CCCCO3)c[nH]c12 163637514 IETKUNKOMXTVCL-OAHLLOKOSA-N 317.389 2.776 0 50 DFAA COc1cc2c(C(=O)NC[C@@H]3CCCO3)c[nH]c2cc1Cl 408517696 MUQWABNJAQOUTC-VIFPVBQESA-N 308.765 2.739 0 50 DFAA O=C(C1CCNCC1)N1CCC[C@H]1CCCc1ccccc1 170070586 OSJPFEOKXJUPGL-GOSISDBHSA-N 300.446 3.000 0 50 DFAA CN(C)c1cccnc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 585135673 VUYFNMYVYZUAOQ-AWEZNQCLSA-N 317.433 2.759 0 50 DFAA CCc1cc(N2CCO[C@H](C(C)C)C2)nc(-c2ccncc2)n1 679194307 SSWCOBQNWYYHPX-INIZCTEOSA-N 312.417 2.962 0 50 DFAA CC(C)c1nnc2n1CCN(Cc1ccc3cn[nH]c3c1)[C@H]2C 188489056 WUBKLWXMNGPGJL-LBPRGKRZSA-N 310.405 2.855 0 50 DFAA CN(C)c1nc(CNC(=O)[C@H]2CCc3ccccc3C2)cs1 649797234 RGRBFLQYRGJNMZ-AWEZNQCLSA-N 315.442 2.630 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@@]2(C(=O)O)CC=CCC2)cc1 653305617 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1857680311 GNWIOTMWVNSZEZ-UHFFFAOYSA-N 306.373 2.577 0 50 DFAA CCc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1 4583414 YNXCFLKXNCYENS-UHFFFAOYSA-N 315.442 2.917 0 50 DFAA CN(C)C(=O)O[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 496760857 WKXGGUFTOZLTSD-CQSZACIVSA-N 324.808 2.572 0 50 DFAA Cc1ccc2c(c1)C[C@H](C(=O)N(C)CC[C@H](N)C(C)C)S2 1857782968 GGTGDRVEQCZXPI-GOEBONIOSA-N 306.475 2.844 0 50 DFAA c1ccc(C[C@H]2CN(c3nc4c(s3)COCC4)CCO2)cc1 1875286866 KDHYWRNMMMVOAK-AWEZNQCLSA-N 316.426 2.664 0 50 DFAA C=CC(=O)NC[C@@H](C)N(C)C(=O)/C(C)=C/c1ccc(F)c(F)c1 1875389536 RWAZIFWFFXSHSI-JATZPVMKSA-N 322.355 2.517 0 50 DFAA COC(=O)c1sc(NC(=O)c2cncc(C3CC3)c2)nc1C 1875309196 XMMGYDFCTAMOOI-UHFFFAOYSA-N 317.370 2.763 0 50 DFAA C[C@H]1CN(C(=O)Cc2cc3ccccc3c(=O)o2)C[C@@H](C)S1 1875335347 DKLHPOAETHYTSW-TXEJJXNPSA-N 317.410 2.688 0 50 DFAA CN(C(=O)/C=C/C(C)(C)N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 1875338154 ONEKNQNEXDPRAG-HMUVLFPJSA-N 316.445 2.984 0 50 DFAA O=S(=O)(NCc1cnsc1)c1ccc2c(c1)CCCC2 1775989096 CSIZQNBSBGOPJS-UHFFFAOYSA-N 308.428 2.500 0 50 DFAA Brc1cnn(C2CCN(Cc3ccncc3)CC2)c1 366505248 FNUSSGNBWFYVQO-UHFFFAOYSA-N 321.222 2.878 0 50 DFAA Cc1ccc(-c2noc(-c3sc([C@@H](C)N)nc3C)n2)cn1 2325777226 MXAAMNYRGIAJSK-MRVPVSSYSA-N 301.375 2.892 0 50 DFAA O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1nncs1 2325819202 HUWUQIBVLKHECP-HNNXBMFYSA-N 324.409 2.993 0 50 DFAA Cc1cc(CC(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)on1 1445862221 DMGVXKABMVBQJN-ZDUSSCGKSA-N 310.357 2.970 0 50 DFAA COc1cc(C(=O)NCCc2ccccc2)cc(OC)c1OC 47667 DPPZEYSQUWASCB-UHFFFAOYSA-N 315.369 2.685 0 50 DFAA biogenic Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(C)c1 168144 CJNMLMUHWZFIFT-UHFFFAOYSA-N 313.309 2.952 0 50 DFAA CCOC(=O)c1cc(Br)c(N)c(Br)c1 368223 ROWXLRODWPSPTR-UHFFFAOYSA-N 322.984 2.971 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2ccco2)c(C)c1C 528215 HOQILRHNHURHDD-UHFFFAOYSA-N 309.387 2.774 0 50 DFAA CC(C)(C)NC(=O)c1cccc(I)c1 3093850 ZMJJGZOPZYWWKQ-UHFFFAOYSA-N 303.143 2.820 0 50 DFAA CC[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)OC 4056189 XUECUZXCURIUNZ-CQSZACIVSA-N 302.326 2.612 0 50 DFAA CC(=O)Oc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 4841635 QQZLNKZVPRNRFI-UHFFFAOYSA-N 324.380 2.574 0 50 DFAA Cc1csc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)n1 8246657 KQMUDFHPFRVLDX-UHFFFAOYSA-N 319.386 2.535 0 50 DFAA Cc1ccccc1N1C[C@H](C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1=O 101974295 KWNZVABICVIOKB-IIAWOOMASA-N 314.429 2.852 0 50 DFAA C[C@@H]1[C@@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)CCC[C@H]1C 225443598 VEBSBSHICZVVNK-XUJVJEKNSA-N 316.380 2.961 0 50 DFAA Cc1ccccc1S(=O)(=O)Cc1cc2ccccc2[nH]c1=O 111902382 OZZGKDOSZIGGJA-UHFFFAOYSA-N 313.378 2.810 0 50 DFAA CCOc1ccc(N[C@H]2CC(=O)N(C3CCCCC3)C2=O)cc1 101128900 ZTINLJXWRKEFKE-INIZCTEOSA-N 316.401 2.957 0 50 DFAA CC(=O)N1CC[C@@H](C(=O)N(c2cc(C)ccc2C)C(C)C)C1 346494722 AJIUUXQBIXVJFY-MRXNPFEDSA-N 302.418 2.913 0 50 DFAA Cc1ccc(C)c(CN(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 346841466 WAVMDMPBLBCWEU-KRWDZBQOSA-N 316.445 2.909 0 50 DFAA Cc1cc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccn1 248888706 ANHSCVCCYGHMIS-SJORKVTESA-N 310.401 2.957 0 50 DFAA CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)s1 136159890 BAEYKLCGWWUAQM-MLRMMBSGSA-N 322.430 2.777 0 50 DFAA C[C@H](c1nccs1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 65382118 NBSCZDWXZHSWNO-LLVKDONJSA-N 313.386 2.557 0 50 DFAA C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(O)cc1F 119464242 WXQVBYSELIZWJL-JTQLQIEISA-N 308.353 2.555 0 50 DFAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1 492765 RXFQNYICSYIWBZ-QGZVFWFLSA-N 321.380 2.631 0 50 DFAA CC[C@@H](C)Sc1ncc(CN(C)CCc2cnn(C)c2)cn1 216454090 VPVZQECSYQGKPV-CYBMUJFWSA-N 319.478 2.775 0 50 DFAA O=c1c2ccc(F)cc2ncn1Cc1ccc2nsnc2c1 32500568 WYEQHJDXZQZANC-UHFFFAOYSA-N 312.329 2.589 0 50 DFAA CC(C)NC(=O)C(Br)(C(F)(F)F)C(F)(F)F 3204824 UVHMNWQEGSYXKI-UHFFFAOYSA-N 316.039 2.769 0 50 DFAA biogenic C[C@H]1OCCN(Cc2cccc(Br)c2)[C@@H]1C(=N)O 330528816 FOAFZCBXXNVZQN-SKDRFNHKSA-N 313.195 2.574 0 50 DFAA C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H]1Cn1cncn1 257365302 GIFHHEIXWVOWSY-HIFRSBDPSA-N 324.388 2.554 0 50 DFAA CN(C)c1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)cn1 216111504 WKAZTPFIHMNFHQ-INIZCTEOSA-N 324.428 2.638 0 50 DFAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccnc2)C1 253606250 BGNSCSAKTSJRNU-IKGGRYGDSA-N 324.428 2.808 0 50 DFAA Cc1cc(C(=O)N2CCn3cccc3[C@H]2C)c2c(C)noc2n1 30262050 JDMDOGALIILEMH-GFCCVEGCSA-N 310.357 2.858 0 50 DFAA C[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)NC1CCCCC1 13961251 VXFHHFPPTCFZPO-JTQLQIEISA-N 318.343 2.922 0 50 DFAA C[C@H]1CSc2ccccc2CN1C(=O)CCc1cnccn1 365567901 YANTZOZFIBCRHO-ZDUSSCGKSA-N 313.426 2.932 0 50 DFAA CCCc1nc(NCCc2nc(C)cs2)c2cnn(C)c2n1 72164738 YBEFRYPOUYFIHW-UHFFFAOYSA-N 316.434 2.735 0 50 DFAA O=C(CCCc1ccccc1)Nc1ccc(-n2cnnn2)cc1 36353470 BJWSOGMHXWAREU-UHFFFAOYSA-N 307.357 2.624 0 50 DFAA CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C(=O)O)C2)cc1 236805547 FOPZERDYMHYRKS-OWCLPIDISA-N 301.386 2.847 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCCN1 237148181 RKFHNQYKJCXBTR-ZDUSSCGKSA-N 300.324 2.806 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCC[C@H]1N 237170795 DQGZKULHGYTRTM-NWDGAFQWSA-N 316.323 2.671 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)on1 333578634 JSSKUFWUTJCGML-GBJTYRQASA-N 319.405 2.787 0 50 DFAA Cc1ccc(C)c(C(=O)CCC(=O)N2CCCC[C@H]2C(=O)O)c1 159769044 YRULCWNCODBRHI-HNNXBMFYSA-N 317.385 2.732 0 50 DFAA COc1ccccc1CCC(=O)N[C@H]1COC2(CCCC2)C1 219318298 KRDLIIGKLBFMRC-OAHLLOKOSA-N 303.402 2.846 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCCN(CC2CCC2)CC1 339206448 QATHUVBWYZSHEL-UHFFFAOYSA-N 309.841 2.627 0 50 DFAA Cc1cc(NC[C@H](C)Oc2cccnc2)n2nc(C)c(C)c2n1 72407718 GQUZSVLSUVRDML-LBPRGKRZSA-N 311.389 2.929 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CCc2cc(F)ccc2[C@@H]1C 606538179 HQJCQQSECHWGKE-LBPRGKRZSA-N 301.365 2.854 0 50 DFAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc(C(C)C)on1 82133962 XJQKVNJWGLDPJU-CQSZACIVSA-N 303.362 2.653 0 50 DFAA OCc1ccnc(N2CCC[C@@H](c3nccn3CC3CC3)C2)c1 82148525 ISTONMHTSAPNTE-MRXNPFEDSA-N 312.417 2.564 0 50 DFAA Cn1cc(C(=O)N2CC(Cc3ccccc3)C2)c(-c2ccco2)n1 613329465 GXHRTKMSBHIOKB-UHFFFAOYSA-N 321.380 2.995 0 50 DFAA CC[C@H](C)[C@H](Nc1nncc(-c2ccc(F)cc2)n1)C(=O)OC 20997543 YFBSBEWSSJGIEN-HZMBPMFUSA-N 318.352 2.677 0 50 DFAA COCC[C@]1(O)CCN(C(=O)c2ccccc2Cl)C[C@H]1C 91518597 DOXDTSKHXPPVPN-MLGOLLRUSA-N 311.809 2.590 0 50 DFAA Cc1cccc([C@@H](C)NC(=O)C2(N3CCCC3)CCCC2)n1 534585827 RRBABXWHURWZHY-OAHLLOKOSA-N 301.434 2.976 0 50 DFAA Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccccc1-n1cccn1 366028900 MFQGNNQHWKAALS-LBPRGKRZSA-N 324.384 2.897 0 50 DFAA CC(C)Cc1nc([C@H](C)N2CCCC2=O)n(-c2ccncc2)n1 821477610 QKPPIYNJAHGCJQ-ZDUSSCGKSA-N 313.405 2.544 0 50 DFAA CSC[C@@H]1CCCN(C(=O)c2nc3ccc(C)cn3c2F)C1 584894469 PEDSRRMHPJRMOF-GFCCVEGCSA-N 321.421 2.997 0 50 DFAA COc1ccc(Cc2nc(C3CCC3)n(CCCO)n2)cc1 584902334 CZVVJIYCULAIFD-UHFFFAOYSA-N 301.390 2.527 0 50 DFAA Cn1ccnc1CCN1CCC[C@H](COc2cccc(F)c2)C1 670444363 OMMLQZRKDWTHFX-HNNXBMFYSA-N 317.408 2.893 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)O)C2)C1 685944099 LIGPAFHWOYFJNV-OPASDULOSA-N 301.408 2.640 0 50 DFAA CCn1cncc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1=O 1361794000 ZHNMYLMIYPFLQF-QWHCGFSZSA-N 317.776 2.659 0 50 DFAA COc1cccc([C@H]2CCCN2C(=O)C2=C(C)OCCO2)c1 952964331 MXTRXBKQQUQDKY-OAHLLOKOSA-N 303.358 2.637 0 50 DFAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2C=CCN2)cc1 952982356 GTSZMMXPSXCTDA-HNNXBMFYSA-N 310.353 2.954 0 50 DFAA CCCc1cc(Nc2ccc(F)c(OC)c2)n2ncnc2n1 186705293 QWUKIUDUKJXCHP-UHFFFAOYSA-N 301.325 2.968 0 50 DFAA Cc1nc([C@H]2CCCN2CC(=O)N2CCCC[C@@H]2C)cs1 189794879 ALPAMLHLXGEYCV-SWLSCSKDSA-N 307.463 2.989 0 50 DFAA CCn1c(S[C@@H]2CCC[C@@H](OC)C2)nnc1-c1cnccn1 585118805 CJSJEYOIMRXXTK-VXGBXAGGSA-N 319.434 2.805 0 50 DFAA C[C@@H]1CCSCCN1C(=O)c1ncccc1Br 194348631 NSJOHRSEAPPNAE-SECBINFHSA-N 315.236 2.812 0 50 DFAA CO[C@@H](C)C(=O)N1C[C@H](C)Oc2ccc(Br)cc21 195278407 XJLNKBGJPAOTPX-IUCAKERBSA-N 314.179 2.598 0 50 DFAA O=C(Nc1ccc(F)c(I)c1F)C1CC1 1615553121 PXXSEBXJKNNMTR-UHFFFAOYSA-N 323.080 2.918 0 50 DFAA CCc1cccc(NC(=O)CCC(=O)N2CCC[C@H](OC)C2)c1 1506424431 KBRPNGCLZBSMPW-INIZCTEOSA-N 318.417 2.605 0 50 DFAA Cc1cccc(C)c1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529167435 JHMKSOKPBVTGFX-SJORKVTESA-N 310.397 2.686 0 50 DFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3c(C)noc3C)C1)CC2 1704325122 IPGVQGUYZNPODS-SFHVURJKSA-N 312.417 2.870 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(c3ccc(CN(C)C)cn3)C[C@@H]21 1704302875 CPVYEXCLONVTOM-SOLBZPMBSA-N 303.450 2.521 0 50 DFAA Cc1cc2c(cc1Cl)OCc1nnc(CCn3cccn3)n1-2 1772810474 IFHDONAWEPZMNY-UHFFFAOYSA-N 315.764 2.561 0 50 DFAA Cn1ccc(C2CCN(Cc3ccncc3Cl)CC2)cc1=O 1772804686 CSYJQGQHPYSQEA-UHFFFAOYSA-N 317.820 2.813 0 50 DFAA COc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1OC 15106230 SIKXWJFYMYNNGL-UHFFFAOYSA-N 324.336 2.798 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2O)c(C)c1 16652469 OSSUVGDRZHZPDT-CABCVRRESA-N 311.447 2.536 0 50 DFAA CN(C)C1CCN(c2ccc(C=O)cc2Br)CC1 169725286 QVEIKTHMLMOPAB-UHFFFAOYSA-N 311.223 2.792 0 50 DFAA CNc1nc(C(=O)NCCCn2ccc3ccccc32)cs1 153772067 PRGWQCLFKRZWIT-UHFFFAOYSA-N 314.414 2.960 0 50 DFAA Cc1ccc(C=CCC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 1857532813 CRMBNEZCKVGAIT-INIZCTEOSA-N 312.413 2.525 0 50 DFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)[C@H]1CCC[C@@H](N)C1 236644963 RVYOHCFBBSXIKX-BBWFWOEESA-N 316.445 2.883 0 50 DFAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)c1nc(C(C)(C)C)no1 237615152 LRKUTQHCJXAIHW-VIFPVBQESA-N 317.345 2.556 0 50 DFAA COc1cccc(C(C)(C)CNC(=O)N[C@H]2CCO[C@H](C)C2)c1 334008966 WMJKGXRBZGROAC-HIFRSBDPSA-N 320.433 2.840 0 50 DFAA CC(C)Cn1cc(NC(=O)CC2(O)CCC2)c(C(F)F)n1 450298505 MWUFZKTWJHWDBE-UHFFFAOYSA-N 301.337 2.720 0 50 DFAA CS(=O)(=O)c1ccccc1N[C@@H](C1CC1)[C@@H]1CCCCO1 585091266 GDMFAXXLRBYTQY-HOCLYGCPSA-N 309.431 2.850 0 50 DFAA COC[C@H](CSc1nnc2sc3ccccc3n12)OC 585093552 YGNDPUYUUNSBJM-SECBINFHSA-N 309.416 2.698 0 50 DFAA COC(=O)[C@@H](C)NC(=O)c1ccc(NCc2ccsc2)cc1 585129462 KKLZDROORBDZQL-LLVKDONJSA-N 318.398 2.652 0 50 DFAA O=C(CSCc1ccccc1Br)NC1CC1 453481 LDDNOZQLIAWWFU-UHFFFAOYSA-N 300.221 2.961 0 50 DFAA CNc1cc(-c2noc([C@H]3CCc4ccccc4O3)n2)ncn1 904244963 WTFOXACPGDEGEW-CYBMUJFWSA-N 309.329 2.635 0 50 DFAA CO[C@]1(c2nnc(Cc3cccc(C)c3Cl)o2)CCOC1 886086213 ROUXSHNHCLYBKQ-OAHLLOKOSA-N 308.765 2.884 0 50 DFAA Cc1ccc(C(=O)O)cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5094754 DRZSTBQWYYZQMP-RYUDHWBXSA-N 305.330 2.523 0 50 DFAA Cc1cccn2cc(C(=O)N[C@H]3CCc4cc(CN)ccc43)nc12 2325787509 DRKMIGSVXCIYLW-INIZCTEOSA-N 320.396 2.519 0 50 DFAA Cc1ccc([C@H](N)CNC(=O)c2c(C)nn3c(C)cccc23)cc1 2325789449 QUMMLJAECPCTAZ-MRXNPFEDSA-N 322.412 2.689 0 50 DFAA Cc1cccc2nc(NC(=O)c3cnc([C@@H](C)O)s3)[nH]c12 2325870827 QXUJNONSOVXAGW-MRVPVSSYSA-N 302.359 2.633 0 50 DFAA CCNC(=S)Nc1ccc(I)cc1 75470 ZCZCIHPLSZHJAN-UHFFFAOYSA-N 306.172 2.598 0 50 DFAA C[C@@H](O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 100018 ZJWKLJSZYMCZQD-HTQZYQBOSA-N 309.460 2.871 0 50 DFAA FC(F)(F)c1cccnc1N1CCc2nc(C3CC3)nn2CC1 2356133768 CGDZRKSTHGMTPT-UHFFFAOYSA-N 323.322 2.632 0 50 DFAA Cc1ccc(C2(O)CCN(c3nc(C)c(C)c(C)n3)CC2)nc1 2356135644 NOSBSDSLDHLUGD-UHFFFAOYSA-N 312.417 2.593 0 50 DFAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1CCN(c2ccc(F)cc2)C1 2356138164 GPYQVDOCENNYGI-XDNAFOTISA-N 304.409 2.782 0 50 DFAA O=C(NCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 2860578 CQCBWNXNTNYEOP-UHFFFAOYSA-N 312.350 2.955 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 4703431 FCPFXFOHGFRBRK-UHFFFAOYSA-N 322.474 2.634 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1 4866906 LBUTXNWYZPOZHN-ABAIWWIYSA-N 310.419 2.502 0 50 DFAA Cc1cc(C)n(Cc2cc(=O)n3nc(-c4ccccc4)cc3[nH]2)n1 102304806 VKCXVSBGDFMOPT-UHFFFAOYSA-N 319.368 2.551 0 50 DFAA CCOC(=O)c1ccc(CN2C(=O)COc3ccccc32)cc1 9295580 ZESKXSSQJYBETN-UHFFFAOYSA-N 311.337 2.789 0 50 DFAA CCCc1cc(C(=O)N2CCN(C3CCC(C)CC3)CC2)[nH]n1 115481234 DKXWNYWKECLKTI-UHFFFAOYSA-N 318.465 2.699 0 50 DFAA Cc1cc(N(C)CCc2ccccn2)nc(N2CCCCC2)n1 65465556 CDUYZEUYAVGPBV-UHFFFAOYSA-N 311.433 2.849 0 50 DFAA Cc1noc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 248052967 XLHYWBJRXDJVPY-CQFDHEJISA-N 307.300 2.637 0 50 DFAA Cc1ncsc1CCC(=O)N(C)Cc1cc(C2CC2)[nH]n1 67804319 JSMPKDWWZFKSLS-UHFFFAOYSA-N 304.419 2.643 0 50 DFAA CC(C)(C)c1ncc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)O)s1 136526519 ZRTYCQMBLXWLJN-ABZNLYFFSA-N 322.430 2.920 0 50 DFAA CCOc1ccc(CNC(=O)Cc2ccncc2)cc1Cl 356150682 IKXMVDNDJATION-UHFFFAOYSA-N 304.777 2.993 0 50 DFAA Cc1cc(C(=O)Nc2ccccc2)ccc1N(C)S(C)(=O)=O 67629490 LEWSUMPXNSURPW-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA CN(Cc1ccc([S@@](C)=O)cc1)C(=O)Nc1ccc(F)cn1 123271799 RCTISGXFOBIRPF-QFIPXVFZSA-N 321.377 2.622 0 50 DFAA Cc1nn(C)cc1[C@H](C)NC(=O)CCCN1CCCCCC1 219815141 YSKRCWKFADWCFC-AWEZNQCLSA-N 306.454 2.562 0 50 DFAA COc1ccc(C2=NO[C@H](C(=O)NC3CCCCC3)C2)cc1 5029135 JUFHHUYLCHJMQB-INIZCTEOSA-N 302.374 2.637 0 50 DFAA Cc1nc2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2[nH]1 218571517 YEFDQLUJSJOGOH-MRXNPFEDSA-N 309.325 2.650 0 50 DFAA CSc1ncc(CNC(=O)c2ccc(F)cc2Cl)n1C 219170907 PAGHODGJCUPLJI-UHFFFAOYSA-N 313.785 2.865 0 50 DFAA Cc1cc(=O)[nH]cc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 130896068 SUZRPTATYCKEAW-CQSZACIVSA-N 314.360 2.527 0 50 DFAA Cc1cc(C)nc(NC(=O)NCc2cccnc2-n2ccnc2)c1 126195843 YWMBAMFZRNCMHH-UHFFFAOYSA-N 322.372 2.601 0 50 DFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cnnc(C)c1)[C@H]2C 332527193 SRYVKXXSOPSOSP-OLZOCXBDSA-N 311.385 2.942 0 50 DFAA CCn1cc(CC(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc21 236944462 KIUDQBZEWAVJJH-CYBMUJFWSA-N 314.385 2.527 0 50 DFAA COc1ccccc1OCCN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 237145971 SQWLJCOWUWPUAR-KKUMJFAQSA-N 319.401 2.792 0 50 DFAA O=C(N[C@H]1CC12CCOCC2)c1ccc2c(c1O)CCCC2 333969610 UWANDGYRCBDCIE-HNNXBMFYSA-N 301.386 2.570 0 50 DFAA O=C(NC1(C(=O)O)CCC1)[C@@H]1C[C@H]1c1c(F)cccc1Cl 237943281 SMCLDPXAWCITGK-RKDXNWHRSA-N 311.740 2.706 0 50 DFAA CCn1nc(C)cc1C(=O)Nc1cnn(Cc2ccccc2)c1 40770772 ATUXXVVJACMHML-UHFFFAOYSA-N 309.373 2.709 0 50 DFAA CC(C)c1nc(NC[C@@H](O)c2ccccc2)c2cnn(C)c2n1 72151791 YDRFIUVPTOHBRC-CQSZACIVSA-N 311.389 2.632 0 50 DFAA Fc1cccc(N2CCCC2)c1CN[C@@H]1CCc2nc[nH]c2C1 377785734 QRSPLWRKAVLASR-CYBMUJFWSA-N 314.408 2.796 0 50 DFAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2ccoc2C)c1 263257455 VZMBDXWOAIZYBB-QGZVFWFLSA-N 317.341 2.717 0 50 DFAA O[C@H](CN1CC[C@H](CNc2ccccn2)C1)c1cccc(F)c1 225343223 XFNPAUWWYXGEMN-RHSMWYFYSA-N 315.392 2.688 0 50 DFAA O=C(O)c1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1 263576551 QOPUVGSLSIUSCP-SFHVURJKSA-N 311.381 2.867 0 50 DFAA O=C(Cc1ccccc1F)N1CCC[C@](CO)(CC2CC2)C1 91677101 FKOSIOWGIADYIH-SFHVURJKSA-N 305.393 2.769 0 50 DFAA Cc1ccc(NC(=O)N2CCN[C@H](c3ccccc3)C2)c(C)n1 96161262 BEWDUMAZYHABQR-KRWDZBQOSA-N 310.401 2.877 0 50 DFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)[nH]n1 91818551 IHPXLQHLNCLOFB-GFCCVEGCSA-N 312.295 2.582 0 50 DFAA Cn1cccc1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95355526 JUTAQGRKSPAHJU-OAHLLOKOSA-N 312.369 2.743 0 50 DFAA Cc1cccc2c1CC(C)(C)N(C(=O)C[C@H]1CCCC(=O)N1)C2 296409591 XIWWNAGQRXBAOY-OAHLLOKOSA-N 314.429 2.717 0 50 DFAA COc1cccc([C@H]2CCN2CC(=O)NCc2cccs2)c1 244716323 LMYGRHXONJTTQH-MRXNPFEDSA-N 316.426 2.820 0 50 DFAA CC[C@@H](N[C@H](C)c1nccn1C)c1ccc2c(c1)OCCO2 182556508 HCCNMWURUWQIDL-TZMCWYRMSA-N 301.390 2.993 0 50 DFAA Cn1cc(CN(C(=O)N[C@H]2CCc3ccccc3C2)C2CC2)cn1 534584964 QIVVDGRXOOGKND-KRWDZBQOSA-N 324.428 2.652 0 50 DFAA O=C(COCC(F)(F)F)NCc1ccccc1C(F)(F)F 298484145 ATULNFHSKCXLHG-UHFFFAOYSA-N 315.213 2.901 0 50 DFAA Cc1ccc(CN2CCC(=O)N(Cc3ccncc3)CC2)cc1C 299793870 IWOLOIGJSHRHRF-UHFFFAOYSA-N 323.440 2.933 0 50 DFAA O=C(NCCOCCO)Nc1ccc(C2CCCCC2)cc1 299789758 AACJWOFRHWEAIZ-UHFFFAOYSA-N 306.406 2.865 0 50 DFAA O=C1C[C@@H](Nc2ncccc2Cl)CN1Cc1ccccc1 828247929 JEHUGDSCWHPAFW-CYBMUJFWSA-N 301.777 2.948 0 50 DFAA O=C(CCCn1cncn1)NCc1ccc(Cl)c(Cl)c1 828026305 HHDKFMJJNLGYDV-UHFFFAOYSA-N 313.188 2.682 0 50 DFAA Cc1cccc2nc(CN(C)C(=O)C[C@H]3CCCOC3)[nH]c12 584884634 NCNBJPAFTLDKPT-CYBMUJFWSA-N 301.390 2.646 0 50 DFAA CC(=O)c1cc(CNCCc2cnn(-c3ccccc3)c2)n(C)c1 952976390 QVOKXIQDUFHULZ-UHFFFAOYSA-N 322.412 2.746 0 50 DFAA CN(C)C(=O)CC1CCN(c2ccnc3ccsc23)CC1 273065517 YWAZCZVLYYMHFV-UHFFFAOYSA-N 303.431 2.991 0 50 DFAA CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2COCCO2)o1 169991946 AYOITPMFDYPRCG-GDBMZVCRSA-N 307.390 2.701 0 50 DFAA COc1cc(C(=O)N2CCc3ccccc3[C@@H]2CO)ccc1F 170083993 HFAYRUUQTSOUGP-INIZCTEOSA-N 315.344 2.566 0 50 DFAA COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(C(C)C)[nH]n1 170609888 WRQTUEVRKVIXLE-OAHLLOKOSA-N 315.417 2.863 0 50 DFAA Cc1nnc2n1C[C@H](C(=O)N[C@H](C)c1cc3ccccc3o1)CC2 676789308 VXASEYWVRLFFHQ-BXUZGUMPSA-N 324.384 2.773 0 50 DFAA CC[C@@]1(CO)CCCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C1 189302176 KAQRDYBEHRCINW-GOSISDBHSA-N 317.433 2.695 0 50 DFAA O=C1CCC[C@H](CNc2nc(C(F)F)nc3ccccc23)N1 683940064 ZMAIVLJVKRRDOI-SECBINFHSA-N 306.316 2.648 0 50 DFAA CCN(CC(=O)O)C1CCN([C@@H](C)c2cccc(C)c2)CC1 191993110 ASFUPTYNMGGWDV-HNNXBMFYSA-N 304.434 2.927 0 50 DFAA CC(=O)c1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1C 193843397 OTBURQAXFWVRLV-SJORKVTESA-N 301.386 2.981 0 50 DFAA CCn1ncc2ccc(NC(=O)[C@@H]3Cc4ccccc4O3)cc21 194674153 JEWLGNRDBCZPCO-KRWDZBQOSA-N 307.353 2.998 0 50 DFAA Cn1nccc1CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 195458093 WTTIKHBWRHJTKG-HNNXBMFYSA-N 322.453 2.593 0 50 DFAA Cc1c(CCN[C@H]2CCCOc3cc(F)ccc32)cnn1C 195557695 DIJGPIQJDYXKQZ-INIZCTEOSA-N 303.381 2.914 0 50 DFAA C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 218390011 IYQAAZHLBBJUNB-AEGPPILISA-N 316.401 2.968 0 50 DFAA in-vitro CCCCCNS(=O)(=O)c1ccccc1Br 15021355 FQFQJMKWUBSIRQ-UHFFFAOYSA-N 306.225 2.918 0 50 DFAA in-vitro CCCN1C(=O)[C@H](NC(C)=O)c2cccc(C(F)(F)F)c21 5451503 LZOYUYUVFFEYLW-LLVKDONJSA-N 300.280 2.639 0 50 DFAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)cc2)n1 11443630 TVIDIBRWLOMBNG-UHFFFAOYSA-N 317.414 2.762 0 50 DFAA Cc1ccc(Oc2ncccc2CNC(=O)c2cc(C)[nH]n2)cn1 12306142 SRIUNIQJCPYEAW-UHFFFAOYSA-N 323.356 2.539 0 50 DFAA COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)NCC2 19703163 MYGMGHIHUCDVKW-GOSISDBHSA-N 313.353 2.668 0 50 DFAA biogenic CO[C@@H]1CCCN(C(=O)CCc2nc3ccc(C)c(C)c3[nH]2)C1 19853075 PZMBNRYMEZGCKT-CQSZACIVSA-N 315.417 2.750 0 50 DFAA Cc1cc(C)nc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)n1 19866762 TYCDQPPQYBEEAV-UHFFFAOYSA-N 321.384 2.583 0 50 DFAA CCC[C@@]1(CO)CN(Cc2nc3ccccc3s2)CC[C@H]1O 1857738695 UHIICZDGVOXMLE-WBVHZDCISA-N 320.458 2.642 0 50 DFAA O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2ccon2)C1 122850218 IFUZOAWSRRYLCW-LLVKDONJSA-N 320.780 2.574 0 50 DFAA C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2csc(CN)n2)C1 237699506 ZZFWASYGTCCHND-HZMBPMFUSA-N 319.405 2.964 0 50 DFAA CO[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2ccc(F)cc2)n(C)n1 821501674 DUIBNYSWNPJYQD-CZUORRHYSA-N 317.364 2.524 0 50 DFAA O=C(c1cccc2cc(O)ncc12)N1CCc2cc(O)ccc2C1 1159943841 DXMNECMHXMSIFP-UHFFFAOYSA-N 320.348 2.845 0 50 DFAA Cc1ncc(C(=O)O)cc1C(=O)N1Cc2ccccc2[C@@H](C)C1 872757104 RZUPHFKWLSQCQT-NSHDSACASA-N 310.353 2.848 0 50 DFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC[C@@H]2C[C@@H]21 1875272193 XLJAOGLBIJMKJO-CABCVRRESA-N 323.396 2.705 0 50 DFAA C=CC(=O)N(Cc1cccc(CCC)c1)Cc1cnnn1CC 1875374589 XSOCUIAWOFEVKD-UHFFFAOYSA-N 312.417 2.965 0 50 DFAA COc1cncc(CN(C=O)CCCN2CCCC[C@H]2C)c1C 1875325054 HERVGSYIUNLSSK-OAHLLOKOSA-N 319.449 2.622 0 50 DFAA C=CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1875367339 CXWXCHSCWMVPLB-AWEZNQCLSA-N 316.401 2.823 0 50 DFAA Cc1cncc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)c1 886562509 BISPOZMPSXUXBN-CQSZACIVSA-N 324.302 2.872 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc(C)o2)C1 888103048 BUILGWBDFSGJHR-OLZOCXBDSA-N 303.362 2.530 0 50 DFAA Cc1nc(C)c(Cn2cc([C@@H](N)Cc3ccccc3)nn2)s1 2325799726 UKFFLNQNBPLYKE-AWEZNQCLSA-N 313.430 2.642 0 50 DFAA Cc1cc(C)c([C@H](C)NC(=O)N[C@@H]2CN(C)C[C@H]2C)c(C)c1 2325826916 PWUMHOKKKRHRPX-OWCLPIDISA-N 303.450 2.922 0 50 DFAA O=C1C(Cl)=C(NCc2ccccc2)C(=O)N1c1ccccc1 121546 ALWSYACGCONZOZ-UHFFFAOYSA-N 312.756 2.800 0 50 DFAA CCOC(=O)c1ccccc1NS(=O)(=O)c1cccs1 241811 BPBOYNMDRNFSOM-UHFFFAOYSA-N 311.384 2.726 0 50 DFAA COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 302915 MUXLZZHKKCQKBL-AWEZNQCLSA-N 319.426 2.995 0 50 DFAA CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1 3243184 AWPCSBJHPZGBDC-UHFFFAOYSA-N 305.355 2.600 0 50 DFAA COc1cc(OC)c([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1OC 4950623 SDRFMWNQZYYVQM-BVGQSLNGSA-N 321.417 2.668 0 50 DFAA Cc1cc(N2CCO[C@@]3(CCOC3)C2)c2ccc(F)c(F)c2n1 225409960 HWWFDFCFDKYRFI-KRWDZBQOSA-N 320.339 2.817 0 50 DFAA COc1cc(NC(=O)NCc2ccco2)cc(OC)c1OC 9874038 FQLMWBFYIWUDAG-UHFFFAOYSA-N 306.318 2.627 0 50 DFAA O=C(CSCc1ccccc1Cl)NCCc1c[nH]cn1 55199900 RYXAFRFWYZBMHL-UHFFFAOYSA-N 309.822 2.655 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 100396413 RHQNHNCJJDZFBL-CABCVRRESA-N 313.353 2.709 0 50 DFAA OCC[C@H]1CN(Cc2cc(F)cc(F)c2)CCN1C1CCCC1 20775627 UPXPNMTZVFXYLK-SFHVURJKSA-N 324.415 2.776 0 50 DFAA Cc1nc(CN)cc(N(C)Cc2cccc(C(F)(F)F)c2)n1 67649835 DIAZUFXNGHIWDU-UHFFFAOYSA-N 310.323 2.899 0 50 DFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCC(C)(C)C2)n[nH]1 351550738 PEUWSZOCYYTKRF-LBPRGKRZSA-N 315.421 2.736 0 50 DFAA c1coc([C@@H](CNCc2cnn3ccccc23)N2CCCC2)c1 171509584 LUZORBRCCUCIIQ-QGZVFWFLSA-N 310.401 2.854 0 50 DFAA Cc1ccc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)o1 39445519 BAMWHMZVECOOOC-MRXNPFEDSA-N 318.417 2.558 0 50 DFAA C[C@H]1C[C@@H](C)C[C@H](CCN2CCO[C@H](c3nncn3C)C2)C1 328625632 DJQKSURFAIPQKG-JJXSEGSLSA-N 306.454 2.651 0 50 DFAA c1nc(N[C@H]2CCCOC2)cc(N2CCc3ccsc3C2)n1 328623308 BWKORELAIHPYBN-ZDUSSCGKSA-N 316.430 2.692 0 50 DFAA Cc1c(CSC(C)C)cccc1NC(=O)N[C@@H]1CNC(=O)C1 356218392 LEYKLDZIIBHBNA-ZDUSSCGKSA-N 321.446 2.647 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)NCCn3ccnc3)c2c1 72124180 PTSMTMPQFDXYQH-UHFFFAOYSA-N 308.385 2.732 0 50 DFAA Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2ccc(Cl)cn2)cn1 367965767 VHYWCDPMZDFFGH-HOTGVXAUSA-N 320.824 2.557 0 50 DFAA COc1cccc(/C(C)=C/C(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1 237351483 BTHGNVVGGPTDRR-RNTKJRCOSA-N 302.418 2.684 0 50 DFAA CCOc1ccc(-c2ccnc(NCC(F)F)n2)cc1C(=O)O 77344311 BIDXIAQFOLNDMG-UHFFFAOYSA-N 323.299 2.918 0 50 DFAA C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(N(C)C)nc2)C1 173745624 STCBMJSBUXBVJY-AWEZNQCLSA-N 324.428 2.880 0 50 DFAA COc1ccccc1O[C@H]1CCCN(c2nc(C)ns2)C1 286673315 XWPXFDSEORFCEV-LBPRGKRZSA-N 305.403 2.903 0 50 DFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc2ccccc12 220428948 NYOBVVZOYFCPIR-MLHJIOFPSA-N 311.381 2.620 0 50 DFAA C[C@@H](CN1CCC[C@@H](N(C)CC(=O)O)CC1)c1ccc(F)cc1 263465898 CQGYXSLQDKSAQU-WMLDXEAASA-N 322.424 2.800 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(C(=O)CCc3ccc(O)cc3)C2)n1 223582578 PWFFQCXHGBZBGK-MRXNPFEDSA-N 313.401 2.612 0 50 DFAA O=C(NCCC1=CCCCC1)N1CCC[C@@H]1Cn1cccn1 426387198 CAZQCWFZWYDUOP-MRXNPFEDSA-N 302.422 2.948 0 50 DFAA COCCN1C[C@@H](Cc2cc(C)c3cc(F)ccc3n2)CC1=O 223768454 FBLDQAYAXSTNHN-ZDUSSCGKSA-N 316.376 2.720 0 50 DFAA O=C(c1onc2c1CCCC2)N1CCC[C@@H]1c1nccs1 426518436 XZQULIZOJQXRDX-GFCCVEGCSA-N 303.387 2.987 0 50 DFAA CC[C@H](C)CNC(=O)N1CCN(c2cc(C)nc(C)c2)CC1 426652929 MQBSNNWPXWABDT-ZDUSSCGKSA-N 304.438 2.576 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)NCc2c(F)cccc2F)C1 426730620 YLDBOTCHKVZZJM-LBPRGKRZSA-N 323.387 2.733 0 50 DFAA c1ccc2nc(N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)cnc2c1 95525173 UVCGGBFJDYMPFW-HZPDHXFCSA-N 308.429 2.940 0 50 DFAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCc2ccccc2C1 97553218 ABKUOKSKTNZOHC-UHFFFAOYSA-N 304.353 2.670 0 50 DFAA CC(C)c1ncc(C(=O)NCCCN(C)C2CCCC2)cn1 97294737 YINLDPSDYWGPKK-UHFFFAOYSA-N 304.438 2.594 0 50 DFAA CCSc1ccc(NC(=O)NCCCN2CCCC2=O)cc1 96153508 NZYPNFIGZGBIFD-UHFFFAOYSA-N 321.446 2.933 0 50 DFAA CO[C@@H](C)c1ccc(-c2cc(C)nc(N3CCOCC3)n2)cc1 97575064 BQIXRIQQDSZSNO-AWEZNQCLSA-N 313.401 2.996 0 50 DFAA CN(Cc1cc(C2CC2)[nH]n1)c1nccc(-c2cccnc2)n1 96148048 ADRHXFUPBXSDGV-UHFFFAOYSA-N 306.373 2.776 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1C 239275029 BCNNJHDWOXQMDX-ZCVDQKGDSA-N 322.408 2.726 0 50 DFAA O=C(O)[C@@]1(CC2CC2)CCCN(Cc2cccc3nonc23)C1 91616619 BJGJKYFTPSPEJR-QGZVFWFLSA-N 315.373 2.690 0 50 DFAA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)CC1CCNCC1 299739990 UNJFQGGCHQLDJZ-ZRGWGRIASA-N 316.445 2.753 0 50 DFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](c2ccccc2)C1 299370732 HZTOUIAXMYWMQN-HIFRSBDPSA-N 302.418 2.553 0 50 DFAA CN(C)[C@@H]1CCN(Cc2ccccc2Cl)C[C@@H]1CCC(=O)O 299776920 FMXCFJNGRCQVBA-GOEBONIOSA-N 324.852 2.957 0 50 DFAA Cc1nnsc1C(=O)Nc1ccccc1OC[C@@H]1CCCO1 828234724 QFFCMIUOFYKLGC-NSHDSACASA-N 319.386 2.657 0 50 DFAA CC(C)(C)OC(=O)N1CCC(O)([C@@H](N)c2ccsc2)CC1 958527863 HDWASZOAHHHBDH-LBPRGKRZSA-N 312.435 2.510 0 50 DFAA CC(C)n1cnnc1[C@H](C)Nc1nccc(C(F)(F)F)n1 952982620 BQYYXYGSOTVJRB-QMMMGPOBSA-N 300.288 2.841 0 50 DFAA COCCN1CCC[C@H](CNCc2cccc(F)c2Cl)C1 952983274 OVXYVDMHPGPFTA-CYBMUJFWSA-N 314.832 2.927 0 50 DFAA Cc1[nH]c2ccccc2c1C(=O)N1CC[C@H](c2cnccn2)C1 1597495526 DLEZSTJMVAMYRO-ZDUSSCGKSA-N 306.369 2.896 0 50 DFAA CCN(Cc1cccs1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 275333732 RLXYBKVYKOHUHP-GFCCVEGCSA-N 319.430 2.648 0 50 DFAA CCN(Cc1ccccc1)C(=O)C(=O)N(C)Cc1ccccc1 170370636 FLCNRHAOJVWSRA-UHFFFAOYSA-N 310.397 2.694 0 50 DFAA Cc1nc2ccccc2nc1SCCN1CCOC[C@H]1C 170605579 WKACNVNTTMTSIT-GFCCVEGCSA-N 303.431 2.751 0 50 DFAA C[C@@H]1CCCN(C(=O)c2ccc(F)nc2)[C@@H]1C(=O)OC(C)(C)C 585088761 JBIFWSOMQIGATF-RISCZKNCSA-N 322.380 2.803 0 50 DFAA COc1cc(F)c(CN2CCC[C@@H]2CN2CCCC2)cc1OC 651625021 QWKGSJOTRUMVKZ-OAHLLOKOSA-N 322.424 2.903 0 50 DFAA Cc1cc(NS(=O)(=O)Cc2cccc(F)c2)cc(C(=O)O)c1 795365001 DPHUBHLGRNPUDF-UHFFFAOYSA-N 323.345 2.774 0 50 DFAA CCOc1ccc(NC(=O)CSc2nnc(C)n2CC)cc1 421188 VQXFQRMGXZNCTP-UHFFFAOYSA-N 320.418 2.736 0 50 DFAA COC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1 4808870 CCFDWGBIVFJGRI-OAHLLOKOSA-N 324.405 2.790 0 50 DFAA O=C1CCCc2nc(N3CCOCC3)nc(Nc3ccccc3)c21 4418016 GVQRTKOOSSWXBF-UHFFFAOYSA-N 324.384 2.576 0 50 DFAA COc1ccccc1NC(=O)CC(=O)Nc1ccccc1OC 52535 PJWNNDDRRUKOFZ-UHFFFAOYSA-N 314.341 2.671 0 50 DFAA in-vitro CC(C)OC(C)(C)C(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C 410847218 KBHAUPTXCJZQJH-ZFWWWQNUSA-N 323.437 2.614 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](N)C1 237243388 JMTGVUYXOWVDHE-LZWOXQAQSA-N 302.418 2.876 0 50 DFAA CC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 136367474 URVJLRRDTLGBPU-INIZCTEOSA-N 302.418 2.501 0 50 DFAA Cc1ccc(-c2nc(C(=O)N3CCCC[C@H]3C(=O)O)cs2)o1 136509411 CEEHLPHBRMAEFY-NSHDSACASA-N 320.370 2.791 0 50 DFAA Cc1ccccc1OC[C@@H](C)NC(=O)CCC1CCNCC1 155051793 MNENHNKOQRTIRQ-OAHLLOKOSA-N 304.434 2.658 0 50 DFAA C[C@H](C(=O)N1CCC[C@@H]1CC(=O)O)c1ccc(Cl)s1 262907201 JFSZVNFZDIZTEO-DTWKUNHWSA-N 301.795 2.971 0 50 DFAA Cc1cncc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 902545122 QYPKBDXWBZNJPA-VNHYZAJKSA-N 302.374 2.554 0 50 DFAA CCNc1cc(CNC(=O)Nc2ccc3c(n2)CCC3)ccn1 931674478 IADPEYNRLUOREU-UHFFFAOYSA-N 311.389 2.719 0 50 DFAA CCc1cnccc1CNC(=O)c1cccc(-c2cc[nH]n2)c1 1875349690 IZYVOZXWUNEUOG-UHFFFAOYSA-N 306.369 2.964 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)NCCc1ccns1 881503515 BCNPKLNLNKQBFI-ZDUSSCGKSA-N 308.378 2.799 0 50 DFAA Brc1cncc(N2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)c1 252678889 HFEMSOIGAFUIBI-CQDKDKBSSA-N 322.250 2.765 0 50 DFAA CN(C(=O)Nc1nc(-c2ccc(F)cc2)ns1)C1CSC1 2325765159 HVIVUFDZPDMRSP-UHFFFAOYSA-N 324.406 2.923 0 50 DFAA O=C(NC[C@@H]1NCCc2ccccc21)c1ccc2cccnc2c1 2325767218 FVXXPJDTPUXJJZ-IBGZPJMESA-N 317.392 2.852 0 50 DFAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1cnc2cc[nH]c2c1 2325768147 UTLHRXMLFUPTAO-GOSISDBHSA-N 322.412 2.938 0 50 DFAA O=C(Nc1cccc2c1CNC2)c1cnc2onc(C3CC3)c2c1 2325768844 XJHNJRRIPCNASA-UHFFFAOYSA-N 320.352 2.956 0 50 DFAA Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1 114828 GZEFYXVCSZGEKM-UHFFFAOYSA-N 303.383 2.798 0 50 DFAA O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccccc1 121614 JAVCXMGJPTXXRV-UHFFFAOYSA-N 304.777 2.886 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCO3)c1 350783 DYRUCWDHLABHNH-UHFFFAOYSA-N 301.298 2.685 0 50 DFAA CCc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)cc1 2356143674 RVHNOZUKQJSDDB-OAHLLOKOSA-N 308.385 2.530 0 50 DFAA Cc1cc(C)c2c(NC(=O)COCc3ccccc3)n[nH]c2n1 2356150837 BRDMAVWZNSVRSS-UHFFFAOYSA-N 310.357 2.730 0 50 DFAA c1cnn(CCCN2CCC3(CC2)OCCc2ccsc23)c1 2356156747 OPEOCNSCFCMOCQ-UHFFFAOYSA-N 317.458 2.899 0 50 DFAA C[C@@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccccc1 4942737 UIKCJBGQQFMWLO-KGLIPLIRSA-N 312.369 2.530 0 50 DFAA CCOc1ccc(NC(=O)C(=O)NCC2CCCCC2)cc1 6700834 FAVDWKNXXIXRME-UHFFFAOYSA-N 304.390 2.720 0 50 DFAA COc1ccc([C@H](CC(=O)O)N2Cc3ccccc3C2=O)cc1 166353 KSFHVIUSXNPGHA-INIZCTEOSA-N 311.337 2.867 0 50 DFAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCc1ccco1 2760387 NPDXANSMCIDZDR-UHFFFAOYSA-N 313.279 2.689 0 50 DFAA O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@H]1CCCOC1 153767960 ZOKZBZCPEYMRQM-QMMMGPOBSA-N 313.279 2.947 0 50 DFAA C[C@H]1CN(C(=O)/C=C/c2ccccc2Br)C[C@@H](C)N1 153749055 VPNGQDZMQNYKEJ-GRPTYIHUSA-N 323.234 2.671 0 50 DFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCCc1ccncc1 218853373 FIIJLVIERNTMMX-AWEZNQCLSA-N 300.406 2.712 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cn1 237980381 SIFJWBSQVCRKJH-HNNXBMFYSA-N 314.316 2.896 0 50 DFAA CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1 215842132 UTQMMWFZNFATLX-KRWDZBQOSA-N 316.426 2.822 0 50 DFAA Cc1nn(C)cc1C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 363530643 PTYLSOSZRMVATI-OAHLLOKOSA-N 301.365 2.715 0 50 DFAA CN(Cc1cccnc1N)[C@@H]1CCCN(CCc2ccccc2)C1 72135626 USYWDBNSTVXZAT-LJQANCHMSA-N 324.472 2.803 0 50 DFAA COC[C@H]1[C@H](NC(=O)c2csc(C(C)C)c2)[C@H]2CCO[C@H]21 1074573174 PCPQHSKKAJGUEM-AYRXBEOTSA-N 309.431 2.651 0 50 DFAA CCn1ccnc1C(=O)N1CCc2c(CN3CCCC3)cccc21 365865799 KIHNIRUNBIUOJV-UHFFFAOYSA-N 324.428 2.702 0 50 DFAA Cc1ccc2oc(N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)nc2c1 219638111 PGNBSDSNDLATLL-PVXIVEMSSA-N 312.373 2.794 0 50 DFAA C[C@H](Cn1cccn1)N[C@H](c1ccc(Cl)cc1)c1ncon1 123284453 VUSOHKCMSIPOLE-BXUZGUMPSA-N 317.780 2.687 0 50 DFAA N[C@H](CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C1CC1 261940579 NFEKNGPOZFRXKL-LLVKDONJSA-N 309.822 2.864 0 50 DFAA c1cc2cc(CN3CCCC[C@H]3CN3CCOCC3)ccc2[nH]1 77407780 OGHWOJPVPVLYTA-SFHVURJKSA-N 313.445 2.855 0 50 DFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2CCC(=O)O)n1 262114780 FPEGWBHXKSETOD-GJZGRUSLSA-N 321.421 2.697 0 50 DFAA O=C(O)c1nn2c(c1Cl)N[C@H](C1CC1)C[C@H]2C(F)(F)F 34928932 YVHBDEDCNAKORF-WDSKDSINSA-N 309.675 2.932 0 50 DFAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H]1CCn2ccnc2C1 332983461 RMQSFXLSIGHBIO-SIIHOXLZSA-N 324.428 2.821 0 50 DFAA C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H]2CCOC2)CC1 172799280 PRZNOABJLNYPLR-ZFWWWQNUSA-N 322.836 2.582 0 50 DFAA CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2sccc2Cl)C1 285372790 CGGKAVUZGVAZJM-UWVGGRQHSA-N 314.838 2.778 0 50 DFAA CSc1cc(C)ccc1CNC(=O)N[C@@](C)(CO)C1CC1 132240924 RFVMFODTYQBSIJ-INIZCTEOSA-N 308.447 2.677 0 50 DFAA Cc1cc(-c2ccc(C(=O)NCCN3CCCC3)cc2)ccn1 426545476 UNGQJJMXYWLGBX-UHFFFAOYSA-N 309.413 2.883 0 50 DFAA CN(C(=O)c1csnn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 290305252 CMLNMUZHLKQLRQ-UONOGXRCSA-N 317.414 2.856 0 50 DFAA CC(C)c1cc(C(=O)NCCCCc2ccccn2)n(C)n1 82140985 NTVMOSVKOSBMBM-UHFFFAOYSA-N 300.406 2.691 0 50 DFAA N#Cc1cccc(N[C@H]2CCCCN(Cc3ccccn3)C2)n1 82099383 MNVCQFYCPALSIN-KRWDZBQOSA-N 307.401 2.815 0 50 DFAA COCc1cc(NCc2ccc(-c3noc(C)n3)cc2)ncn1 95373082 DOIVAIZYMCCHHM-UHFFFAOYSA-N 311.345 2.594 0 50 DFAA CC(C)N1CCC(C(=O)N2CC(OCc3ccccc3)C2)CC1 95504404 WPMMDYAJEYVYBZ-UHFFFAOYSA-N 316.445 2.534 0 50 DFAA Cn1cnc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)n1 292248564 JYSFTIDXKOBYGM-UHFFFAOYSA-N 316.792 2.941 0 50 DFAA Cc1ccc(OCC(N)=O)c(-c2cccc(-c3cc[nH]n3)c2)c1 23153248 VILVEIKILGOPON-UHFFFAOYSA-N 307.353 2.916 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@@]2(CCOC2)C1 91829244 YEAAUGRXTDCNFK-MRXNPFEDSA-N 302.399 2.939 0 50 DFAA CCOCCOc1ccccc1-c1nc([C@@H]2CCOC2)no1 96179992 YLXMKZKMGZHBLG-GFCCVEGCSA-N 304.346 2.656 0 50 DFAA Cc1csc(CCCNC(=O)c2[nH]nc3c2C[C@H](C)CC3)n1 243956758 CDMCUZDWRAIDFV-SNVBAGLBSA-N 318.446 2.662 0 50 DFAA Cc1csc([C@@H](C)CNC(=O)N[C@H](CO)c2ccccc2)n1 183897551 ZXKYZOMYIAFKKJ-SMDDNHRTSA-N 319.430 2.588 0 50 DFAA Cc1cn2nc(C(=O)Nc3ccc(Cl)cc3C)cc2c(O)n1 263617706 PFWTTZIQFLUXSW-UHFFFAOYSA-N 316.748 2.957 0 50 DFAA Cc1n[nH]c(C2CC2)c1C(=O)NCCc1nc2c(C)cccc2[nH]1 299756425 DYGDUWLSDUNYBZ-UHFFFAOYSA-N 323.400 2.753 0 50 DFAA Cc1nnc(CN(C)Cc2nc(-c3ccccc3)no2)s1 299791380 FFGIINLYUOGYEY-UHFFFAOYSA-N 301.375 2.529 0 50 DFAA CC(C)c1nc(CCNC(=O)N(C)[C@H](C)c2ccco2)no1 584903927 VJLQVBBDZBFGGZ-LLVKDONJSA-N 306.366 2.731 0 50 DFAA CCc1ccc(CN2CCCN(C(=O)c3ccoc3)CC2)o1 670442315 JOWWTPGIHYPXAJ-UHFFFAOYSA-N 302.374 2.783 0 50 DFAA CCCS(=O)(=O)N[C@@H](c1ccncc1)c1ccc(C)cc1 670444290 XKCHPFDDJFCTCT-MRXNPFEDSA-N 304.415 2.809 0 50 DFAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1Br 100179855 FNEUYRSNLVHTKX-WTTBSCSTSA-N 318.170 2.761 0 50 DFAA CCC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCOc2ccccc21 271011904 ZLFIFANMNNPXGD-LSDHHAIUSA-N 301.386 2.913 0 50 DFAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cc2ccccn2c1 275599456 KWDWXVPYYQPPJZ-ZWKOTPCHSA-N 321.380 2.984 0 50 DFAA Cc1ccc(CN2CCC(c3nc(N(C)C)no3)CC2)s1 170088970 WTBXTTVCBBIIRJ-UHFFFAOYSA-N 306.435 2.885 0 50 DFAA C[C@@H](CN(C(=O)/C=C/c1cccc2cccnc12)C1CC1)C(=O)O 170592298 JNDXQSPKRRXACS-RSPDNQDQSA-N 324.380 2.960 0 50 DFAA CCO[C@@H]1C[C@@](CO)(NCc2cnc3ccsc3c2)C1(C)C 170602246 FHOPKSUPPAEYSK-WBVHZDCISA-N 320.458 2.952 0 50 DFAA O=C(NC[C@@H](CCO)c1ccccc1)Nc1ccc(F)cn1 187914659 KQFLHSJEFITWBH-CYBMUJFWSA-N 303.337 2.508 0 50 DFAA COc1cccc(CNc2cc(-c3cccnc3)nc(C)n2)c1 599435582 BTYMYEGOFTUJNV-UHFFFAOYSA-N 306.369 3.468 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)nc1 794155597 MDACJHRALFLKIK-KRWDZBQOSA-N 324.428 2.980 0 50 DFAA Cc1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)c(F)c1 1607779952 YYYBJNBXJSUTSS-UHFFFAOYSA-N 324.359 2.823 0 50 DFAA CCN(C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2ccsc2)C1 1614994556 FWLAHTKKFPGBTQ-CFVMTHIKSA-N 307.463 2.587 0 50 DFAA c1cncc(-c2csc(N[C@H]3CCO[C@]4(CCOC4)C3)n2)c1 1615044469 CRYKIPYRHFEXRU-XJKSGUPXSA-N 317.414 2.955 0 50 DFAA O=C(Nc1cccnc1C1CC1)c1ccc(N2CCCC2)nn1 1615618134 GADQAAUJUOIPDI-UHFFFAOYSA-N 309.373 2.602 0 50 DFAA COc1ccc(C)cc1NC(=O)c1nn(C)cc1Br 105341 LIAUGCYJKMGURJ-UHFFFAOYSA-N 324.178 2.752 0 50 DFAA Cc1c(Cl)cccc1NC(=O)CC(=O)N(C)CC(F)(F)F 1506398316 YQAJQNQXRFWBBZ-UHFFFAOYSA-N 322.714 2.998 0 50 DFAA O=C(Nc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O 588111 ZROYLJXVRSXWOT-UHFFFAOYSA-N 315.716 2.673 0 50 DFAA CC(C)CC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529178483 MOYBLCHDCUKBGM-QAPCUYQASA-N 312.413 2.955 0 50 DFAA O[C@@H]1CN(CCCCc2ccccc2)C[C@H]1Cc1ccncc1 1704344539 SHNLREBMIQFCHH-WOJBJXKFSA-N 310.441 2.940 0 50 DFAA CCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C 15019513 NTNYEUNKPWUXBN-UHFFFAOYSA-N 322.459 2.830 0 50 DFAA O=C(Cc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 19831658 VFXPDRIDQASJSW-UHFFFAOYSA-N 312.388 2.713 0 50 DFAA O=C(N[C@@H]1CCc2ccccc21)c1cccc(-c2ncn[nH]2)c1 158033187 GBBGPWUQKSBGDR-MRXNPFEDSA-N 304.353 2.889 0 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313.401 2.893 0 50 DFAA Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)n1 247952463 YRJZMKISUBDZQK-ARFHVFGLSA-N 313.401 2.888 0 50 DFAA Cc1ccc(C2(O)CCN(Cc3nccn3C(C)C)CC2)nc1 67473239 CMTRRMNRWOATMF-UHFFFAOYSA-N 314.433 2.651 0 50 DFAA C/C=C/CC(=O)NCc1cccnc1N(C)CCc1ccccn1 67973674 CDKCTINFYCDIFZ-ONEGZZNKSA-N 324.428 2.738 0 50 DFAA O=C(c1cccc(-n2cccn2)n1)N(CC1CC1)c1cccnc1 135533557 UEKDGNSMZBSNGL-UHFFFAOYSA-N 319.368 2.719 0 50 DFAA Cc1nnc(CN(C)Cc2cn(C)nc2-c2ccccc2F)o1 23542006 UNVANGHVQLDQHE-UHFFFAOYSA-N 315.352 2.550 0 50 DFAA C[C@@H](CCc1cccn1C)NC(=O)[C@H](O)c1ccccc1Cl 119538512 MKILYJNURKHLQE-BLLLJJGKSA-N 320.820 2.849 0 50 DFAA CN(Cc1ccncc1)c1cc(N(C)Cc2ccncc2)ncn1 121147080 XUAHAZSEPIHOCY-UHFFFAOYSA-N 320.400 2.539 0 50 DFAA CC[C@@H]1CN(CCO[C@@H]2CCCC[C@H]2C)CCN1CCOC 252475307 XXGCSLUPIVLFFE-KZNAEPCWSA-N 312.498 2.624 0 50 DFAA Cc1nc(-c2ccc(C(=O)N3CC[C@@](C)(O)C3)cc2)cs1 281616508 BTGRPZKUMIIWMQ-MRXNPFEDSA-N 302.399 2.715 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCc2ncsc2C1 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2.536 0 50 DFAA CSCc1noc(CN2CCCC[C@@H]2CCn2cccn2)n1 77285956 XTDCKAMXDDDUSC-CYBMUJFWSA-N 321.450 2.574 0 50 DFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C1(O)CCCCC1 332344645 MERNTEVKHCWNLB-MRXNPFEDSA-N 303.402 2.884 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H]1CCO[C@H](C)C1 262692174 BTUMYZWIDQGCDB-NEPJUHHUSA-N 321.373 2.926 0 50 DFAA CC(C)c1nc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cs1 236823310 PDZCAGGXXASRAX-LLVKDONJSA-N 310.419 2.984 0 50 DFAA Cc1ccc(OC[C@H](C)NC(=O)CC2CCN(C)CC2)cc1 71375725 AQHFJRPDMFUEMO-HNNXBMFYSA-N 304.434 2.610 0 50 DFAA c1nc2c(n1[C@H]1CCN(c3nnc(C4CC4)s3)C1)CCCC2 299738854 HJBFLDPGLULTMI-LBPRGKRZSA-N 315.446 2.942 0 50 DFAA Cc1ccc(C)c(OCCN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 337239877 FCOOOBNGHHJNRD-KZNAEPCWSA-N 319.445 2.544 0 50 DFAA O=C(NCc1ccco1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299745104 WEUXRWMUHYUABJ-BBRMVZONSA-N 318.348 2.996 0 50 DFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 42467017 XJQKVCYQTNCPOX-UHFFFAOYSA-N 321.396 2.938 0 50 DFAA NC(=O)c1ccc(CN2CCC(F)(c3ccccn3)CC2)cc1 289430975 VQDXPYCXEWMQGD-UHFFFAOYSA-N 313.376 2.641 0 50 DFAA Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 176090628 DPQDUDQOWJWKMC-NWDGAFQWSA-N 318.323 2.714 0 50 DFAA O=C1CCCCN1CC1CCN(c2ncccc2Cl)CC1 225595699 QDVCOAWSSVPCAS-UHFFFAOYSA-N 307.825 2.964 0 50 DFAA Cc1cnccc1CN(C)C(=O)[C@@H](C)n1cnc2ccccc21 220721890 IRYLGBMVFCTUJW-CQSZACIVSA-N 308.385 2.959 0 50 DFAA O=C(N[C@H]1CCc2ccccc2C1)c1cccc(-n2cnnc2)c1 91547782 GIMTULKHSXYYBP-KRWDZBQOSA-N 318.380 2.555 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)NCc1ccc(C(=O)O)cc1 95504438 WIXCKYBAEPFDED-UHFFFAOYSA-N 315.373 2.655 0 50 DFAA Cc1nc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)sc1C 96148284 OZUAHRVAWAPZIP-RHSMWYFYSA-N 316.426 2.735 0 50 DFAA CCc1cccc(CC(=O)Nc2ccc3c(c2)CCNC3=O)c1 617272749 QQPVCSXGJZPMJS-UHFFFAOYSA-N 308.381 2.716 0 50 DFAA CCCn1ncc(C(=O)N2CCC[C@H]2c2cc(C)no2)c1C 91476123 IBGZMKQRNVSIKI-AWEZNQCLSA-N 302.378 2.875 0 50 DFAA Cc1ccc(F)c(C(=O)N2Cc3nnc(C)n3[C@@H](C)C2)c1Cl 96138136 UWHSHUUGTRRUBS-VIFPVBQESA-N 322.771 2.904 0 50 DFAA Cc1[nH]c2c(C(=O)NCc3noc(C4CC4)n3)cccc2c1C 534658072 LLOLCNKOLDXHTI-UHFFFAOYSA-N 310.357 2.975 0 50 DFAA c1cc(OC2CCN(C3CSCCSC3)CC2)ccn1 670442504 CPDCILMIERYSCB-UHFFFAOYSA-N 310.488 2.773 0 50 DFAA CNC(=O)c1ccc(NC(=O)c2cnc3c(c2)CCCC3)c(C)c1 952977894 CHMKBENRVDZFDC-UHFFFAOYSA-N 323.396 2.881 0 50 DFAA CCO[C@H]1COCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1CC 1565527421 QSCKDDCDHFIWMN-HOTGVXAUSA-N 316.401 2.654 0 50 DFAA CNC[C@H]1CCCN(C(=O)/C=C(\C)c2cccc(OC)c2)C1 269120255 YSGBKNIYJFFIMM-YVGNARHYSA-N 302.418 2.557 0 50 DFAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc(COc2cccnc2)n1 275631973 MZYAOVGZFBXICC-JSGCOSHPSA-N 303.362 2.962 0 50 DFAA N[C@@H](c1nc(Cc2ccccc2Cl)no1)C1CCOCC1 275674774 VWSDDDKEKKHEEJ-CQSZACIVSA-N 307.781 2.740 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(-c2ccncc2)n[nH]1 277372992 VPWDRCGTNYJCNL-JSGCOSHPSA-N 300.362 2.615 0 50 DFAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3cccnn3)C2)cc1 279072986 RDFINVSXMKQNSW-ZBFHGGJFSA-N 310.401 2.873 0 50 DFAA Nc1ccc2c(NCc3cc(-c4ccccc4)on3)ncnc2n1 170604183 MUQCSVRXWFSFKZ-UHFFFAOYSA-N 318.340 2.874 0 50 DFAA Cc1nonc1CN=[S@](=O)(c1ccccc1)C(F)(F)F 585097962 DJEFPPOGPWRKKF-FQEVSTJZSA-N 305.281 2.925 0 50 DFAA C[C@H](NC(=O)[C@@H]1CCC(=O)N1C)c1cc2ccccc2s1 189603647 BFVRZRRLVUIEOA-JQWIXIFHSA-N 302.399 2.699 0 50 DFAA COC(=O)[C@@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)CCO2 191179888 JPHQVHWGIBLDBZ-PXAZEXFGSA-N 312.369 2.581 0 50 DFAA Cc1ccccc1CC(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643893397 WFZWWPBPEZQIIO-KRWDZBQOSA-N 324.428 2.757 0 50 DFAA CCc1c(NC(=O)c2cnccn2)cnn1-c1ccccc1C 192136701 ZTSZUQITWNSOPI-UHFFFAOYSA-N 307.357 2.785 0 50 DFAA CCNc1ccc(Cl)cc1C(=O)N1CCN2CCC1CC2 194299403 GAIKMAZOLALATG-UHFFFAOYSA-N 307.825 2.692 0 50 DFAA CN=[S@](=O)(c1ccc(NC(=O)NC2(C)CCC2)cc1)N(C)C 1615614758 RDXOWAWETWJTSK-JOCHJYFZSA-N 324.450 2.684 0 50 DFAA COC[C@H](c1ccccn1)N(C)Cc1ccccc1C(=O)O 1506425686 CGPVUDGXFQNQOZ-MRXNPFEDSA-N 300.358 2.599 0 50 DFAA O=C(c1cccs1)[C@@H]1CCCN(CCCn2ccnc2)C1 1506396353 CXNIAOLNAAODIT-CQSZACIVSA-N 303.431 2.930 0 50 DFAA c1cncc(OC2CCN(C3CSCCSC3)CC2)c1 1506416734 FYYFNLSWYCZUCW-UHFFFAOYSA-N 310.488 2.773 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F 554379 KONJPEJLLDKESM-ZDUSSCGKSA-N 324.402 2.998 0 50 DFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCCCCC1 1529167696 QIKAVJFTLMPHGG-IAGOWNOFSA-N 302.418 2.726 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H](C(C)C)O1 1772707726 YHZJASUEEPSKEX-GDBMZVCRSA-N 305.422 2.841 0 50 DFAA COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccccn2)C1 12027063 KOHMENUWXVCKQQ-CQSZACIVSA-N 324.380 2.825 0 50 DFAA CCCN1CCC(N2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 15065783 KFDNRNMLDUBAFY-MRXNPFEDSA-N 321.509 2.632 0 50 DFAA C/C=C(\C)CN1CC[C@]2(CCCN(Cc3cccnc3)C2=O)C1 15066596 RDXKUYXAIYNDHN-KVMOOHLOSA-N 313.445 2.862 0 50 DFAA CCCCCc1nc(-c2cc(C3CC3)nn2C)n(CCCO)n1 1857680493 OIFNMSTYJZDYPH-UHFFFAOYSA-N 317.437 2.671 0 50 DFAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)N2CCOCC2)no1 408155992 XKAAFIYFNXAODH-ZDUSSCGKSA-N 322.409 2.562 0 50 DFAA Cc1cnc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)c(O)c1 408376558 XDPDRSGBQDWPOW-LBPRGKRZSA-N 316.361 2.545 0 50 DFAA COc1ncccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 225615584 ZYLUHQIXARLRFZ-XJKSGUPXSA-N 320.339 2.676 0 50 DFAA CCN(C(=O)Cc1cn(C)nc1C)[C@@H](C)c1cccc(OC)c1 448694692 PCIPHWLIAXGIBE-AWEZNQCLSA-N 315.417 2.889 0 50 DFAA CCn1nnc(C)c1CN1CCO[C@H](c2ccc(F)c(C)c2)C1 449030685 SIBKQWJSZQJCOW-KRWDZBQOSA-N 318.396 2.627 0 50 DFAA COc1ccc2c(c1NC(=O)CCNC(=O)C(C)(C)C)CCC2 252481698 CQOUODMASAPYCA-UHFFFAOYSA-N 318.417 2.675 0 50 DFAA C[C@@H]1c2nncn2CCN1C(=O)c1ccc(C(F)F)c(F)c1 935618744 NTWIAZAMENNAFD-MRVPVSSYSA-N 310.279 2.572 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N2CCC(F)(F)C[C@@H]2C)cc1 863013226 MMLPZSRHVUSEAQ-LBPRGKRZSA-N 322.355 2.749 0 50 DFAA O=C(O)[C@@H](CNc1nc2cccc(F)c2o1)C1CCOCC1 863735668 FKCDJEHHEHYVHP-JTQLQIEISA-N 308.309 2.506 0 50 DFAA O=C(NC1CCOCC1)c1ccc([C@@H]2[C@H]3CCCC[C@H]32)cn1 952878210 BKIJUGPJXIDNMO-QLPKVWCKSA-N 300.402 2.894 0 50 DFAA CC(C)N(C(=O)C[C@@H](C)N1CCCCC1=O)c1cccnc1 952845172 FCEUVYAFLDKVGQ-CQSZACIVSA-N 303.406 2.614 0 50 DFAA COC1(OC)CC(NCc2cc(Br)ccc2F)C1 952963272 FMFJLZYKJSWLRA-UHFFFAOYSA-N 318.186 2.829 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1 1163560592 RDIUGKSUBNYUQK-AWEZNQCLSA-N 312.417 2.715 0 50 DFAA CC(C)c1ccccc1N(C)C(=O)CC12CNC(=O)C(C1)C2 1875294653 LMKIICCLIIEYGP-UHFFFAOYSA-N 300.402 2.689 0 50 DFAA C[C@@H](c1cccnc1)N(C)C(=O)c1cc(-c2ccncc2)[nH]n1 1875343978 ALXSNYWPBXYXIE-LBPRGKRZSA-N 307.357 2.700 0 50 DFAA CCCc1n[nH]cc1C(=O)/N=c1/sc2ccccc2n1C 1875338551 BJHXJZYXFLWEBS-BMRADRMJSA-N 300.387 2.657 0 50 DFAA C[C@@H](Cc1cccs1)C(=O)NC[C@@H](CCO)c1ccncc1 1875321057 SLCBHDUGGVQVKQ-DZGCQCFKSA-N 318.442 2.604 0 50 DFAA CN(C)C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)C(F)(F)F 1875320776 KPWTWSPYFAYUHB-GFCCVEGCSA-N 317.286 2.529 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)NN1C[C@H]2CCC[C@@H](C2)C1 882279583 OPNHPUZVVOSKOO-UGFHNGPFSA-N 304.438 2.673 0 50 DFAA FC(F)(F)CN1CCN(CCCOCc2ccccc2)CC1 273266038 YTBUCLBMMVJYPR-UHFFFAOYSA-N 316.367 2.773 0 50 DFAA COc1ccc(Cl)cc1-c1cc(=NC(=O)C23CC2C3)[nH][nH]1 2325901681 SYHLWLQDPNOBAO-UHFFFAOYSA-N 303.749 2.509 0 50 DFAA Cc1nnc([C@@H]2CN(Cc3cccc(Cl)c3C)CCO2)o1 864277868 XLACMWFSPDGZKG-AWEZNQCLSA-N 307.781 2.913 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 31711 OKEWIRFAAYZFIX-ZDUSSCGKSA-N 309.793 2.684 0 50 DFAA COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 183802 DGUJHIOOFHPAHT-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA COc1cc(OC)nc(NC(=O)Nc2cccc(Cl)c2)n1 186108 RNEZGYXFCRBHAI-UHFFFAOYSA-N 308.725 2.791 0 50 DFAA CCCc1c(C)c2c(OC(C)=O)cc(OC(C)=O)cc2oc1=O 405953 LUSXBSCYNPTVKL-UHFFFAOYSA-N 318.325 2.905 0 50 DFAA biogenic CCCN1CCC[C@]2(CCCN2Cc2nc(C(C)C)no2)C1=O 2356134316 IZVOLSFOWURPEZ-KRWDZBQOSA-N 320.437 2.560 0 50 DFAA O=C(O)c1cn(CCCCCO)cc(Oc2ccccc2)c1=O 55392872 NAQBQBQSKALCET-UHFFFAOYSA-N 317.341 2.501 0 50 DFAA O=C(NCCOC1CCCCCC1)[C@H]1COc2ccccc2O1 118357376 BPOLPOFJAGRGBH-QGZVFWFLSA-N 319.401 2.682 0 50 DFAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)n1 247917930 MYJUOOOTTZEEQG-FGTMMUONSA-N 324.428 2.862 0 50 DFAA CCn1cnnc1CCNC(=O)c1c(C)c(C)cc(C)c1C 63885071 NPFPFFYSNKBQMV-UHFFFAOYSA-N 300.406 2.504 0 50 DFAA Cn1nc(Cc2nc(-c3ccccc3)no2)c2ccccc2c1=O 349807494 HKIIPLOMMFAYID-UHFFFAOYSA-N 318.336 2.574 0 50 DFAA CCCN(Cc1ccncc1)C(=O)c1[nH]nc2c1C[C@@H](C)CC2 67689033 FELMGZSPHLOVOC-ZDUSSCGKSA-N 312.417 2.982 0 50 DFAA O=C(NCC[C@@H]1CCCN(Cc2ccncc2)C1)c1ccco1 67654468 YACGVEASPRYLOK-HNNXBMFYSA-N 313.401 2.707 0 50 DFAA Clc1nc(Cl)c2[nH]cc(I)c2n1 66349030 RDDFXIAEFUSRKU-UHFFFAOYSA-N 313.913 2.869 0 50 DFAA c1ccc(Cn2cc(CNC3CSCCSC3)cn2)cc1 67433576 IUEXLLDWDYFOJG-UHFFFAOYSA-N 319.499 2.870 0 50 DFAA CCc1nc(C)cc(N2CCC[C@H](C(=O)c3cccnc3)C2)n1 65393711 SAJRTWDDFCOGBQ-HNNXBMFYSA-N 310.401 2.842 0 50 DFAA Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 33270220 DJRJODWPDAJXMM-CQSZACIVSA-N 324.377 2.956 0 50 DFAA Brc1cccnc1NCCCOC1CCOCC1 252490888 LEDJVNPZCXTBPG-UHFFFAOYSA-N 315.211 2.842 0 50 DFAA O=C(c1ccc(Cl)cc1)N1N=C(C(F)F)C[C@]1(O)C(F)F 204585 UBZVKTMQGSPHBJ-LBPRGKRZSA-N 324.661 2.761 0 50 DFAA COC(=O)c1ccn(CSc2c(F)c(F)cc(F)c2F)n1 2786266 KJLLAIMFZIXMJZ-UHFFFAOYSA-N 320.267 2.976 0 50 DFAA CCN(CCc1nc2c(C)cccc2[nH]1)C(=O)c1ccncc1O 219166485 BCVABNRDJWYAND-UHFFFAOYSA-N 324.384 2.677 0 50 DFAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ncn(C)n1 355294883 QMYYGRQPAJKSFT-UHFFFAOYSA-N 311.320 2.577 0 50 DFAA CC1(C)[C@@H](NCC(=O)NCC(F)(F)F)C[C@@H]1c1ccccc1 123057772 HHMCJZDIQSTBAD-OLZOCXBDSA-N 314.351 2.837 0 50 DFAA Cn1ncc(Cl)c1C(=O)NC1(CN2CCCC2)CCCCC1 216279897 KIOYCCOGQCXMIV-UHFFFAOYSA-N 324.856 2.602 0 50 DFAA O=C(C=C1CCC1)N1CCC[C@@H](Cc2nnc3ccccn23)C1 364078766 IUABUOKCDBJOOP-HNNXBMFYSA-N 310.401 2.621 0 50 DFAA CC[C@@H](CSC)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12 125528620 SZVXXENNJDEQKS-NSHDSACASA-N 319.430 2.706 0 50 DFAA Cc1ccc([C@H](CNC(=O)c2cncc(F)c2)N(C)C)cc1 125944751 QNFJMBMZEWXMQC-INIZCTEOSA-N 301.365 2.562 0 50 DFAA C[C@@H](C(=O)OCCNc1cccnn1)c1c(F)cccc1F 155890000 YAEONPHQGYSDNI-SNVBAGLBSA-N 307.300 2.514 0 50 DFAA CC1(CNC(=O)CC(=O)NCC(F)(F)F)CCCCCC1 331876953 NCHCOGWDENBRQR-UHFFFAOYSA-N 308.344 2.532 0 50 DFAA CC(C)(CNC(=O)[C@@H](N)c1ccccc1)c1ccc(F)cc1 236667922 ZYUVZZQGAGNXBB-INIZCTEOSA-N 300.377 2.920 0 50 DFAA CSCCCN1C(=O)CC[C@H]2CN(C3CCCC3)CC[C@H]21 72453723 NSBRYABSAPXAMZ-GOEBONIOSA-N 310.507 2.995 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2F)n1 237148409 GCOIGPSKDPKFON-NSHDSACASA-N 319.405 2.773 0 50 DFAA CN1CCN(Cc2cccc3nonc23)C[C@@H]1c1ccccc1 215384125 BCGDDNSXEFCWTN-QGZVFWFLSA-N 308.385 2.712 0 50 DFAA CC[C@@H](NC(=O)CCc1cccc(OC)c1)c1ccnn1C 219906669 ZARGQUVSOILHCI-OAHLLOKOSA-N 301.390 2.629 0 50 DFAA O=C1CCCc2ccc(NS(=O)(=O)C[C@@H]3CCCCO3)cc21 175007834 COEBRGHWUPNIEC-AWEZNQCLSA-N 323.414 2.516 0 50 DFAA CCCOC1(CNC(=O)c2ccc3[nH]nnc3c2)CCCCC1 177391379 ZDPSHTYTTPVDFT-UHFFFAOYSA-N 316.405 2.817 0 50 DFAA CCc1cc(C(=O)N[C@H]2CN(C3CCCC3)C[C@@H]2C2CC2)on1 91616706 YOKGZHOSAZLZFL-CVEARBPZSA-N 317.433 2.620 0 50 DFAA CCc1noc([C@H]2CCC(=O)N(Cc3ccccc3F)C2)n1 91706835 FWGAICABXADDRV-LBPRGKRZSA-N 303.337 2.677 0 50 DFAA CCc1csc(CCNC(=O)[C@H]2COc3ccccc3C2)n1 95524232 YCYRWMUNMMVCJD-CYBMUJFWSA-N 316.426 2.616 0 50 DFAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1COC2(CCCC2)C1 92061622 IZXOCPWOQBETPV-HNNXBMFYSA-N 319.449 2.933 0 50 DFAA Cc1ccccc1[C@H](O)CN[C@@H](c1nnc[nH]1)c1cccs1 293260750 BYSLVLDDVBLNRM-UKRRQHHQSA-N 314.414 2.587 0 50 DFAA COCCOc1ccccc1NC(=O)NCCc1ccc(C)o1 96151474 YSZQZYUDPXMTLS-UHFFFAOYSA-N 318.373 2.977 0 50 DFAA c1ccc([C@H]2CN(c3nccc(-c4cccnc4)n3)CCN2)cc1 96166391 ABCQJHGTLYZORT-GOSISDBHSA-N 317.396 2.690 0 50 DFAA Cc1cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc(O)n1 180441638 ACAYYOBJMCDBTD-CQSZACIVSA-N 314.360 2.940 0 50 DFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CCCCCN1C 91738021 LSVXBCFMYGMPAV-OAHLLOKOSA-N 318.446 2.524 0 50 DFAA COCc1noc([C@@H](C)N(C)CCOc2ccc(C)cc2)n1 181520220 ULFJCRKVAIEFEI-CYBMUJFWSA-N 305.378 2.596 0 50 DFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C[C@H](C)C(=O)O)C1CC1 299745651 RQDHUQVOAMWSQS-VBNZEHGJSA-N 301.386 2.810 0 50 DFAA Cc1noc(CCCc2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)n1 299752971 WGNVLBAYJFJEJE-FZMZJTMJSA-N 320.393 2.855 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)C[C@H](C)C(=O)O)cc1 299746862 BKSKQQFOPPLAIY-IMJJTQAJSA-N 319.401 2.642 0 50 DFAA COC[C@@H](NC(=O)C(C)(C)Nc1ccccc1)c1ccccn1 534632448 ADLQPAYPJYEOJC-MRXNPFEDSA-N 313.401 2.776 0 50 DFAA COCc1cccc(C(=O)N[C@@H](c2nccn2C)C(C)C)c1 299792044 FEPBXIFIKIYTBR-OAHLLOKOSA-N 301.390 2.694 0 50 DFAA COc1ccccc1[C@H]1CCCN1C(=O)CCc1cnccn1 299780644 AVMXBKXSBTWCNU-MRXNPFEDSA-N 311.385 2.782 0 50 DFAA Cn1cc(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 585136628 NMHLZPWTCLFKBE-UHFFFAOYSA-N 319.213 2.743 0 50 DFAA CC(C)c1nccn1CCCNC(=O)c1cccn1C1CC1 670441155 KJKVSMAJRQFZKS-UHFFFAOYSA-N 300.406 2.963 0 50 DFAA c1ccc(CO[C@H]2CCOC[C@@H]2NC2Cc3ccccc3C2)nc1 1565512381 LMPVXMSEIIPJQH-PMACEKPBSA-N 324.424 2.513 0 50 DFAA C[C@@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275721366 ZASXXEOYLUDEFR-RRQGHBQHSA-N 303.406 2.844 0 50 DFAA Cc1cccc2[nH]c(CN3CCN(c4cnn(C)c4)CC3)cc12 667634236 MKJYLHVWRWYVMO-UHFFFAOYSA-N 309.417 2.532 0 50 DFAA Cc1cnccc1CNC(=O)N1CCO[C@H](c2cccs2)C1 188272018 QWTUEQHBGBJBTN-AWEZNQCLSA-N 317.414 2.735 0 50 DFAA Cc1nc(C)c(CNc2ccc(CN3CCOC3=O)cc2)o1 585118151 DPUHPZLAFJAPOL-UHFFFAOYSA-N 301.346 2.856 0 50 DFAA CSc1nc2ccccc2c(C)c1NC(=O)[C@H]1COCCO1 585114389 HIJVHOUYKMCUEY-CYBMUJFWSA-N 318.398 2.619 0 50 DFAA Cc1n[nH]c(C)c1CNCc1cccc(C2(C)OCCO2)c1 585118270 IRSBYBDOLSGDIA-UHFFFAOYSA-N 301.390 2.536 0 50 DFAA O=C(NC1CC1)[C@@H]1CCCN1Cc1cnc(-c2ccco2)s1 194336790 ZFHYLTKULBEDEM-ZDUSSCGKSA-N 317.414 2.646 0 50 DFAA Cc1n[nH]cc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 194634406 OEPFJMLIYJHHKP-UHFFFAOYSA-N 320.201 2.967 0 50 DFAA C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc(C(=O)O)n1 1615052029 QRVKOWZSONXBQK-JTQLQIEISA-N 304.371 2.545 0 50 DFAA CC(C)(NC(=O)c1cnc2ccccc2c1)[C@@H](O)C(F)(F)F 1615548041 KWLXBQCDXYWAKQ-CYBMUJFWSA-N 312.291 2.666 0 50 DFAA Cc1ccc2c(CCN[C@H](C)CN(C)CCO)c(C)[nH]c2c1C 1506403976 QWYHYQRQGKFEEA-CQSZACIVSA-N 317.477 2.538 0 50 DFAA Cc1nccc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)n1 1529195902 PZAUZYRBHJWJTK-ZWKOTPCHSA-N 323.396 2.777 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)Cc1ccc(CC(=O)O)cc1 1529180013 ANVRFROPTXEWMD-UHFFFAOYSA-N 315.417 2.718 0 50 DFAA Nc1c(Br)cc2oc(=O)ccc2c1Br 218897959 VRLNBQDNVRHCEP-UHFFFAOYSA-N 318.952 2.900 0 50 DFAA in-vitro CC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 464794 WFGJPSRVWGNXNX-NSHDSACASA-N 317.780 2.652 0 50 DFAA COc1c(N)ccnc1-c1cc(OC(F)(F)F)ccc1O 1772806520 FWKUXOUJCCWDOC-UHFFFAOYSA-N 300.236 2.944 0 50 DFAA O=C1N(CC2CC2)CCC[C@]12CCN(Cc1cccc(O)c1)C2 14955092 SBVHPVNMKDTWAN-LJQANCHMSA-N 314.429 2.617 0 50 DFAA O=C(c1coc(COc2ccccc2F)n1)N1CCSCC1 15063160 DBSBULCPVDYKQB-UHFFFAOYSA-N 322.361 2.582 0 50 DFAA CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(OC)c1 2992137 CZYMOKWLWRPUBE-ZDUSSCGKSA-N 306.406 2.966 0 50 DFAA Cc1cnn(CCC(=O)N[C@@H](C)c2ccccc2-n2cccn2)c1 153293830 QBNBPSNIXQAOFG-HNNXBMFYSA-N 323.400 2.645 0 50 DFAA O=C(c1ccoc1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857676357 GEVDKOWRNMCUFZ-SCTDSRPQSA-N 311.381 2.878 0 50 DFAA CC[C@@]12COC(=O)N1CCN(c1ccc(-c3ccccc3)nn1)C2 1857677274 UOURZIYJLYQMTB-GOSISDBHSA-N 324.384 2.565 0 50 DFAA CC(C)Cc1ccc(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)cc1 1857725175 LOQADHKKRYXVQJ-MTQWCTHYSA-N 315.457 2.857 0 50 DFAA O=C(c1cc(-c2ccc(Cl)cc2)c[nH]1)N1CCC12COC2 615923550 PMKHIHGJMJXUTQ-UHFFFAOYSA-N 302.761 2.950 0 50 DFAA CCc1noc(C)c1C(=O)N=c1[nH][nH]c(-c2cccs2)c1C 1875250226 HGDDCGJQEKTHCJ-UHFFFAOYSA-N 316.386 2.980 0 50 DFAA Cc1ccccc1C[C@H](C)NC(=O)N1CCC2(CCNC2)CC1 417148147 DCXGGAXFCKJFND-INIZCTEOSA-N 315.461 2.711 0 50 DFAA C[C@H]1C[C@@H](c2nc(COc3ccccc3F)no2)CCN1C 332655541 LDIVVIRCSUYDBL-RYUDHWBXSA-N 305.353 2.985 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCCc3cc(F)ccc32)cn1 237981100 NJEGQWJTVZEVJR-UHFFFAOYSA-N 300.289 2.512 0 50 DFAA Cc1c([C@@H]2CCCN2C(=O)c2c(O)cccc2F)cnn1C 131034329 IKBUXIADAGRKMG-ZDUSSCGKSA-N 303.337 2.551 0 50 DFAA O=C(Nc1ccc2ncccc2c1)[C@H]1CC(c2ccncc2)=NO1 252508655 XQJNUTAYBKDSLJ-QGZVFWFLSA-N 318.336 2.762 0 50 DFAA CN1CCN(Cc2ccccc2-c2cccc3nc(O)[nH]c23)CC1 906177030 MOQHEHRBVUCACB-UHFFFAOYSA-N 322.412 2.683 0 50 DFAA Cn1c(O)nnc1-c1cccc(-c2cnc3cccnc3c2)c1 1875345899 MFRAPAKKWCZOQP-UHFFFAOYSA-N 303.325 2.798 0 50 DFAA Cc1cc(N2CC[C@@H](C3CC3)[C@@H]2c2nc(O)n[nH]2)ncc1Cl 1875400162 SIHRCCKXRFSFCY-GXFFZTMASA-N 319.796 2.845 0 50 DFAA CCOc1cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)C[C@@H]2C 1461529 VNCGMZNESKTNQK-NSHDSACASA-N 317.385 2.917 0 50 DFAA CC(C)(C)c1cnc(CNCc2ccc(-n3ccnc3)nc2)[nH]1 2325773832 JYZDYVLXZGSTBL-UHFFFAOYSA-N 310.405 2.578 0 50 DFAA CC(C)(C)c1ccc(CN2C[C@@H](C(=O)O)OCC23CCC3)cn1 2325788013 HSHYIEVYUYOSFF-AWEZNQCLSA-N 318.417 2.587 0 50 DFAA Cc1cccc(C)c1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 45202 KMXBSLPFAMIHFW-CYBMUJFWSA-N 323.348 2.894 0 50 DFAA Cc1cc(C)cc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 129736 IAJUAVJMBGIKEG-UHFFFAOYSA-N 323.348 2.895 0 50 DFAA CN(C)c1cc(NC(=O)CN2CCCCC2)c2ccccc2n1 171273 MMTUANKPTXXZKM-UHFFFAOYSA-N 312.417 2.725 0 50 DFAA COc1cccc(NC(=O)c2ccc(OC(C)=O)c(OC)c2)c1 313607 MDEDFOPUUAERQI-UHFFFAOYSA-N 315.325 2.881 0 50 DFAA Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 319356 RONJVDZBYSRAMO-UHFFFAOYSA-N 305.355 2.567 0 50 DFAA CCN(CC)CCNc1ccnc2c1ccc1nsnc12 362659 OTWQHRSUDGUZSX-UHFFFAOYSA-N 301.419 2.993 0 50 DFAA COc1ccc(C2(C(=O)Nc3nncs3)CCCC2)cc1 528746 WKXOWZIRSJGNSU-UHFFFAOYSA-N 303.387 2.997 0 50 DFAA Cc1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)nc(C)c1C(=O)O 2356135941 ZIWJNXJLRZZHKT-CQSZACIVSA-N 310.353 2.667 0 50 DFAA COCCNC(=O)c1cc(Br)c(C)c(C)c1C 4135373 ZDEIOQARRPDAGG-UHFFFAOYSA-N 300.196 2.751 0 50 DFAA CCCc1nnc2sc([C@H]3COc4ccccc4O3)nn12 6662014 FZDFZYHJXLWXSM-LLVKDONJSA-N 302.359 2.651 0 50 DFAA Cc1ccc(N2C(=O)C[C@@H](Sc3ncccn3)C2=O)cc1C 100116916 UIYJICROOQGZQK-CYBMUJFWSA-N 313.382 2.518 0 50 DFAA C[C@@H](SCC(=O)Nc1ccc(Br)cc1)C(=O)O 8362743 CBJPEGRDIKVMIO-SSDOTTSWSA-N 318.192 2.594 0 50 DFAA O=C(NCCSc1cn[nH]n1)c1cc2ccccc2s1 67740753 BPEYLFRLUTXYSU-UHFFFAOYSA-N 304.400 2.542 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c[nH]c2ncccc12 249694872 PSECXDLJRMPDSZ-JKSUJKDBSA-N 312.417 2.652 0 50 DFAA C[Si](C)(C)c1ccc(Cc2noc([C@@H]3CCOC3)n2)cc1 252490144 KKFINFUROROZFH-CYBMUJFWSA-N 302.450 2.710 0 50 DFAA CSCC[C@@H](C(=O)Nc1n[nH]c(C(C)C)n1)n1cccc1 409413095 BXJCBEVJMXHOBF-NSHDSACASA-N 307.423 2.663 0 50 DFAA Nc1c(F)cc(Cl)cc1C(=O)NCC[C@H]1CCCCO1 281335005 UJPJFFAKZRLJJG-SNVBAGLBSA-N 300.761 2.750 0 50 DFAA CCn1ncc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1C 4650877 YGLLEEQVSZEPHQ-UHFFFAOYSA-N 316.449 2.979 0 50 DFAA C[C@H](OCc1ccccc1)[C@H](CC(=O)O)NC(=O)OC(C)(C)C 6468014 FYZBABHQLFFCHH-JSGCOSHPSA-N 323.389 2.960 0 50 DFAA CCCn1ncc(CN2CCN(c3cccc(O)c3)CC2)c1C 216514213 CNGRFLPKGSIKEN-UHFFFAOYSA-N 314.433 2.629 0 50 DFAA Cn1cc([C@@H]2CCN(C(=O)c3ccc4ncsc4c3)C2)cn1 172264134 DXVVAUXAFGXLGC-GFCCVEGCSA-N 312.398 2.660 0 50 DFAA O[C@@H]1CCCN(Cc2cnc3[nH]ccnc2-3)c2ccc(F)cc21 365668883 BKYBVQNDVVAZHG-OAHLLOKOSA-N 312.348 2.882 0 50 DFAA NC1(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)CC1 71762359 VEEINBZNWXJPJA-CYBMUJFWSA-N 308.372 2.627 0 50 DFAA CSc1ccc(CC(=O)N[C@@H](c2nccn2C)C2CC2)cc1 219885837 RKXNVETWJMQNOG-MRXNPFEDSA-N 315.442 2.952 0 50 DFAA Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](C(=O)O)C1 262109048 JPRXOLUNQMMOKQ-VIFPVBQESA-N 316.279 2.952 0 50 DFAA Cc1ncc(C(=O)N[C@H]2CN(C)Cc3ccccc32)c(C2CC2)n1 373021396 NHCKQVLOMWGHIK-KRWDZBQOSA-N 322.412 2.579 0 50 DFAA CC(C)=CCN1CCN(Cc2ccc(C)s2)C[C@H]1CCO 36385737 DXQVBGIYPIMOMI-MRXNPFEDSA-N 308.491 2.891 0 50 DFAA O[C@H]1CCN(Cc2nnc(-c3ccco3)o2)Cc2ccccc21 374809092 SYUJJBLOEBDGMH-AWEZNQCLSA-N 311.341 2.769 0 50 DFAA COCC1(CNC(=O)N2CCCC23CCCCC3)CCNCC1 333763787 AWFGOCDIKXCHBA-UHFFFAOYSA-N 323.481 2.511 0 50 DFAA O=C(NC[C@@]1(O)CCc2ccccc21)c1ccc2[nH]ccc2c1 158923859 PUUPVXNVIXBUEC-IBGZPJMESA-N 306.365 2.732 0 50 DFAA O=C(O)c1cc(C(=O)N(Cc2ccco2)C2CCCC2)ccn1 238159492 UXBCVERLYZDXKZ-UHFFFAOYSA-N 314.341 2.958 0 50 DFAA Cc1csc(C(=O)N2CCC(Cn3ccnn3)CC2)c1Cl 241653330 PUGDWQBWYXJKLV-UHFFFAOYSA-N 324.837 2.854 0 50 DFAA C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1c1cccn1C 174394954 GUCYDLUMGHRICF-RHSMWYFYSA-N 313.401 2.941 0 50 DFAA COc1ccc2c(=O)c(C(=O)O)cn(Cc3ccccc3)c2c1 40449957 LGMYJMFZOSMXGR-UHFFFAOYSA-N 309.321 2.757 0 50 DFAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1nc2ccccc2[nH]1 426513758 UGLNAPSMLFMFKJ-GFCCVEGCSA-N 320.274 2.991 0 50 DFAA CCn1nc(CN2C[C@@]3(CCOC3)CCC2=O)c2ccccc21 92078803 ZVCYOMHYQIUVRC-SFHVURJKSA-N 313.401 2.585 0 50 DFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H]2c2cccnc2)[nH]n1 92045482 JOHYTWBUIIMYLE-INIZCTEOSA-N 321.384 2.788 0 50 DFAA CSCc1noc(CNC(=O)C[C@H]2CCc3ccccc32)n1 91364933 PNCOWTWKMOBNGF-GFCCVEGCSA-N 317.414 2.669 0 50 DFAA C[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 237511029 ICUTVMYANBUFOE-JOYOIKCWSA-N 303.280 2.552 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@@](C)(O)c2ccc(Cl)cc2)CCO1 293692032 XQIIRPQRALQSOP-CJNGLKHVSA-N 311.809 2.621 0 50 DFAA C[C@@H]1CN(C(=O)Cc2n[nH]c3ccccc23)Cc2ccccc2O1 293856877 KDTMBRVYRBVGQZ-CYBMUJFWSA-N 321.380 2.915 0 50 DFAA CC(C)C(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95496936 DZHJDEOIXSDVON-ZDUSSCGKSA-N 318.446 2.750 0 50 DFAA CCC[C@@H]1CN(C(=O)CSc2ccccc2)C[C@H]1N(C)C 95509174 OCSJCAFYPWBRHU-GDBMZVCRSA-N 306.475 2.967 0 50 DFAA CCc1nn(C)c(NC(=O)N2CCC[C@H](CSC)C2)c1C 95522379 CYTXUFCFYPMMSU-LBPRGKRZSA-N 310.467 2.898 0 50 DFAA COC(=O)c1ccc(C)c(NC(=O)NCCC[C@@H]2CCOC2)c1 96137172 CULKSJOWUWHZMR-CYBMUJFWSA-N 320.389 2.720 0 50 DFAA COc1cccc2c1CCN([C@@H](C)C(=O)NC1CCCC1)C2 182700143 TUGWOYVYEJQBLV-ZDUSSCGKSA-N 302.418 2.501 0 50 DFAA CCN(CC)C(=O)c1ccc(-c2ncc3ncn(C)c3n2)cc1 1239889825 WRFQQOSPBSMQKH-UHFFFAOYSA-N 309.373 2.512 0 50 DFAA Cc1oc2ccccc2c1CNC(=O)NCC1CCOCC1 184728474 NBWZICJBHNWRAE-UHFFFAOYSA-N 302.374 2.967 0 50 DFAA Cc1[nH]ncc1CNC(=O)C[C@H](c1ccsc1)n1cccc1 263588889 ZMUOAVSZPLELLW-OAHLLOKOSA-N 314.414 2.877 0 50 DFAA CN(CC(=O)NCc1nc2cc(Cl)ccc2[nH]1)C1CCCC1 299803014 UFOICORRIZIJQF-UHFFFAOYSA-N 320.824 2.707 0 50 DFAA CC(=O)c1cc(CC(=O)N[C@H](C)Cc2cccc(C)n2)cs1 299769686 REIVYWYDOZGMMM-GFCCVEGCSA-N 316.426 2.944 0 50 DFAA COc1cccc(C)c1C(=O)NCc1ccccc1CN(C)C 824795715 SNEKCYVZACIJRJ-UHFFFAOYSA-N 312.413 2.995 0 50 DFAA CCc1csc(CNC(=O)c2cc3c(nc2O)CCCC3)n1 823543290 XQPUCAZSINZXFQ-UHFFFAOYSA-N 317.414 2.615 0 50 DFAA COc1cc(OC)c(-c2ncnn2CC(F)(F)F)cc1OC 670437980 XKKYZRODYLWGGP-UHFFFAOYSA-N 317.267 2.533 0 50 DFAA CO[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C[C@H]1OC 408358640 HEQJKKDYDZQGSK-NKKGCODLSA-N 318.417 2.680 0 50 DFAA Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 221868915 HDBDZBJWALLPBT-GBIKHYSHSA-N 321.377 2.757 0 50 DFAA CCc1noc(C)c1CN[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 275223767 CFLBSLBRNBKLDO-RDJZCZTQSA-N 318.421 2.516 0 50 DFAA O=C(NCc1nc2cccnc2[nH]1)c1cccc(F)c1Cl 170619102 WOEYILYULPQPDE-UHFFFAOYSA-N 304.712 2.680 0 50 DFAA COC1CCC(NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)CC1 633406411 KENSDQMEBUBGMN-WHXUTIOJSA-N 319.327 2.537 0 50 DFAA CCC(=O)N1CC[C@H](c2nc(COc3ccccc3F)no2)C1 188321706 XMQHINHDGXTMJF-NSHDSACASA-N 319.336 2.514 0 50 DFAA COC[C@H](Nc1ccc(Cc2nnc3n2CCC3)cc1)C1CC1 188602389 VMLBWZWXKCZFSO-INIZCTEOSA-N 312.417 2.652 0 50 DFAA COc1cccc2cc(C(=O)N3CC[C@@H](n4cccn4)C3)oc12 585636822 LHPVJRBNXHZEDN-CYBMUJFWSA-N 311.341 2.725 0 50 DFAA O=C(CCN1CCOCC1)Nc1ccc(SC(F)F)cc1 750832060 NDZFVSXFBIVKEH-UHFFFAOYSA-N 316.373 2.662 0 50 DFAA CN1C[C@H]2CN(C(=O)c3cccc(OC4CCCC4)c3)C[C@H]2C1 192485105 GPDPJAJNAGAELT-IYBDPMFKSA-N 314.429 2.642 0 50 DFAA O=C(O)c1ccc(Cl)c(CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)c1 659800232 QIRZNQGRVNRNRG-MBNYWOFBSA-N 309.793 2.631 0 50 DFAA O=C(Nc1ccc2ncnn2c1)c1ccc([C@H]2CCCOC2)cc1 662127024 BBMWYIOAIYGGKS-HNNXBMFYSA-N 322.368 2.876 0 50 DFAA c1sc(N2CCCC2)nc1CNC1CSCCSC1 1506424373 AGLYEAUKXHTILJ-UHFFFAOYSA-N 315.533 2.682 0 50 DFAA O=C(c1ccnc(N2CC(c3ccncc3)C2)c1)N1CCCCC1 1704309977 USEQJOZEJMEFHE-UHFFFAOYSA-N 322.412 2.707 0 50 DFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc[nH]n3)C2)c(C)c1 12299671 CKZFYHHBJSQQAR-AWEZNQCLSA-N 313.401 2.822 0 50 DFAA O=C(Cc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1 13331455 BKSZLNBDFFSPKF-UHFFFAOYSA-N 316.351 2.856 0 50 DFAA Cc1ccc(C)c(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c1 13955719 ZZQSXJGOVSNNDY-GDBMZVCRSA-N 314.429 2.915 0 50 DFAA CC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 15073098 UBSDOVVJAKRGKA-SFHVURJKSA-N 306.450 2.818 0 50 DFAA CC[C@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 19499935 WXNVKENMABASOZ-AWEZNQCLSA-N 322.449 2.629 0 50 DFAA c1ccc(-c2noc(-c3cncnc3NC[C@H]3CCCO3)n2)cc1 169775560 BZRVJBUKYTZPQP-CYBMUJFWSA-N 323.356 2.785 0 50 DFAA O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3 1461178 LVYYMTGZPIPTFW-JTQLQIEISA-N 311.293 2.618 0 50 DFAA COc1ccc([C@H](C)NC(=O)COc2ccccc2)cc1OC 6742274 SZWXOOBHNRZUDC-ZDUSSCGKSA-N 315.369 2.960 0 50 DFAA CCC[C@]1(CO)CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1O 1875245862 BBTHKTMYPBZNQL-HZPDHXFCSA-N 315.816 2.825 0 50 DFAA Cc1noc([C@H](C)N2CCN(Cc3cccc(C)c3C)CC2)n1 121284271 ILICXAOHMQOHAP-HNNXBMFYSA-N 314.433 2.874 0 50 DFAA Cn1c(=O)oc2ccc(NCc3nc(C4CCCC4)no3)cc21 151876503 SXOUEGWKSOYKHS-UHFFFAOYSA-N 314.345 2.784 0 50 DFAA Cn1cc(C[C@@H]2CCN(C(=O)c3cccc4[nH]ccc34)C2)cn1 363356217 PHQBLCMOZUFQJX-ZDUSSCGKSA-N 308.385 2.606 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@H](CO)c2ccccc2)cc1 585102517 YOSMUIRDGKQOFV-GOSISDBHSA-N 312.413 2.505 0 50 DFAA O=C(O)c1nn(-c2ccccc2)cc1CN[C@@H]1CCCC12CC2 902496227 XCGQBQRAEGBXMD-OAHLLOKOSA-N 311.385 2.993 0 50 DFAA CC(C)Oc1ncccc1C(=O)N[C@@H](c1ncccn1)C1CC1 906234738 XNXUGJMLSMBPHD-CQSZACIVSA-N 312.373 2.540 0 50 DFAA Cn1ccc(CC(=O)Nc2ccc(-c3cccc(O)c3)cc2)n1 1142080121 RNBKCZZRFQOPDM-UHFFFAOYSA-N 307.353 2.974 0 50 DFAA Cc1ncc(C(=O)O)cc1C(=O)N1Cc2ccccc2[C@H](C)C1 872757103 RZUPHFKWLSQCQT-LLVKDONJSA-N 310.353 2.848 0 50 DFAA Cc1ccc(C(=O)N2CCC(c3ccc(=N)[nH]c3)CC2)c(C)n1 1875299467 MHQFIDXBESYIIE-UHFFFAOYSA-N 310.401 2.526 0 50 DFAA N[C@@H]1CN(Cc2ccc(-n3ccnc3)nc2)C2(CCCCC2)C1 1875290766 CGCGTQDXJUCYBF-INIZCTEOSA-N 311.433 2.503 0 50 DFAA CC(C)CC(=O)N1CC2(CCN(C(=O)C[C@@H]3CC3(C)C)CC2)C1 1875358185 MOSGAZOKTABPNK-OAHLLOKOSA-N 320.477 2.920 0 50 DFAA O=C(Cc1cccc2cnccc12)NC1C[C@H]2[C@H](C1)C2(F)F 888100471 QPCOLZHMVUSIHW-GJZGRUSLSA-N 302.324 2.937 0 50 DFAA Cc1ncc(CN[C@H]2CCN(C)[C@H](C)C2)c2c1OC(C)(C)OC2 1775993561 FYTUHUXKYPFWOE-DOMZBBRYSA-N 319.449 2.607 0 50 DFAA COC(=O)c1cc(O)c2cc(F)cc(Br)c2n1 38537055 UTKGKDXIUWTKAR-UHFFFAOYSA-N 300.083 2.629 0 50 DFAA in-vitro C[C@H]1C[C@H](O)CN1C(=O)c1ccc(Br)c(Cl)c1 351786695 GKFPLZWZKXTGMO-CBAPKCEASA-N 318.598 2.698 0 50 DFAA O=C(CCc1ccc(O)nc1)N1CCC[C@H]([C@H]2CC2(F)F)C1 2325797707 NHKKQWGYSPDVLP-QWHCGFSZSA-N 310.344 2.614 0 50 DFAA O=C(CC[C@H]1CCCO1)Nc1nccn1Cc1ccccc1F 2325798458 OPTCLQXZDCXAGV-CQSZACIVSA-N 317.364 2.968 0 50 DFAA C[C@H]1Cc2c(Cl)cccc2[C@H]1N=c1ccnc(N(C)C)[nH]1 2325824777 PVOUCAXZSYUGDK-BONVTDFDSA-N 302.809 2.963 0 50 DFAA CN1CCC(N(C)C2CCN(CCc3ccccc3)CC2)CC1 220725 AJQMAKJGEPQDDG-UHFFFAOYSA-N 315.505 2.720 0 50 DFAA COC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 403721 SSZWMCNKRZDISL-NSHDSACASA-N 316.353 2.921 0 50 DFAA O=C(Nc1c(F)cc(F)cc1Br)[C@H]1CCCO1 1054912 FDCUPGRVLYYTIR-SECBINFHSA-N 306.106 2.845 0 50 DFAA Cc1noc(-c2ccccc2OCc2ccc3c(n2)NCC3)n1 2356136108 GZHGJSWMHIBMGM-UHFFFAOYSA-N 308.341 2.987 0 50 DFAA O=C(CSc1nc(-c2ccncc2)n[nH]1)c1ccc(F)cc1 2550222 KTLQZJQTPNYSHT-UHFFFAOYSA-N 314.345 2.981 0 50 DFAA CN(C)c1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1 2876907 ULCMIBOIUQDERP-UHFFFAOYSA-N 323.400 2.844 0 50 DFAA C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C[C@H]1C 341644822 GDZXLHWTPBXPCT-JHJVBQTASA-N 322.840 2.611 0 50 DFAA CSc1nsc(SCC(=O)NCc2ccccc2)n1 4502697 YYMCRSFGLRECIC-UHFFFAOYSA-N 311.457 2.669 0 50 DFAA Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12 7646172 GEZPWOZMOXKRRT-UHFFFAOYSA-N 319.324 2.969 0 50 DFAA COC(=O)c1ccc(NC(=O)NC(C)C)c(OC(F)F)c1 111784977 AKHGCKCHVYRNCM-UHFFFAOYSA-N 302.277 2.605 0 50 DFAA C[C@H]1C[C@@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 246802550 BGJAKLNNECPBCC-WYTNZGFTSA-N 308.422 2.689 0 50 DFAA Cc1ccccc1-c1nc(CN(C)C[C@@H]2COCCO2)c(C)o1 67840660 FDJQKSWEFJEDPH-OAHLLOKOSA-N 316.401 2.806 0 50 DFAA COC[C@H]1[C@@H](NC(=O)Nc2ccc(Cl)cc2)[C@H]2CCO[C@H]21 1074602443 NBRSTLGJOGTGRP-ZOBORPQBSA-N 310.781 2.511 0 50 DFAA Cc1ccsc1[C@H](CN1Cc2ncccc2C1=O)N(C)C 65405699 UVQYOIBKPZMBCO-AWEZNQCLSA-N 301.415 2.710 0 50 DFAA CN1CCN(CC[C@@H]2CCCCN2Cc2ccccc2)CC1 65382987 RXSCTTVBVZVZEK-IBGZPJMESA-N 301.478 2.679 0 50 DFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@@H]1c1cccc(Cl)c1 253369469 CWWDCFNLMWBITE-CABNGKKXSA-N 307.777 2.813 0 50 DFAA C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)C(=O)O 170625482 JLIIYPDECQJXEP-ZDUSSCGKSA-N 322.364 2.893 0 50 DFAA Cn1nncc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 281150073 BBYONDFWMLWAQQ-AWEZNQCLSA-N 304.781 2.740 0 50 DFAA CON(CC1CCOCC1)C(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1 252527938 DTYNPUZPOGLTNZ-IJEWVQPXSA-N 313.438 2.787 0 50 DFAA C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1576229 QWXZOFZKSQXPDC-LLVKDONJSA-N 311.337 2.998 0 50 DFAA biogenic C[C@@H](Cn1cc(Br)cn1)NCCC(F)(F)F 122757950 QNHDOFCOJDPGGR-ZETCQYMHSA-N 300.122 2.576 0 50 DFAA O=C(NC[C@H]1CCCN(C(=O)C2=CCCCC2)C1)c1ccco1 39442253 LQUWOPJVIRXALZ-CQSZACIVSA-N 316.401 2.748 0 50 DFAA CC(C)CCC[C@@H]1CN(S(=O)(=O)c2ccsc2)CCO1 39537931 OPYLVBXLRLUZOW-CYBMUJFWSA-N 317.476 2.964 0 50 DFAA CC(C)(C)c1ncc(/C=C/C(=O)N2CCC(C(=O)O)CC2)s1 236635159 BOXYBSKRILEFLC-SNAWJCMRSA-N 322.430 2.777 0 50 DFAA Cc1cc(C)n([C@@H](C)CNC(=O)c2ccc3nc(C)oc3c2)n1 215891604 HBXRLXHIOYJSGF-LBPRGKRZSA-N 312.373 2.941 0 50 DFAA Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)n2ccnc21 333104004 QMQYMNYATDFMKO-DGCLKSJQSA-N 323.393 2.623 0 50 DFAA O[C@@H](COc1ccccc1-c1ccncc1)CN1CCCCC1 32533149 BPYKDBVIAXYRBZ-QGZVFWFLSA-N 312.413 2.974 0 50 DFAA Cc1ccccc1-c1noc([C@@H](C)N2CCn3c(C)nnc3C2)n1 371847328 KZAQSFJDWKMEJJ-GFCCVEGCSA-N 324.388 2.522 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1 139967935 JJSLPYBKGUUQEP-KGLIPLIRSA-N 321.373 2.873 0 50 DFAA CCc1ccc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F 158807000 AZHIRNJQKHKGRN-CQSZACIVSA-N 317.368 2.849 0 50 DFAA Cc1cc(Br)ccc1S(=O)(=O)NC(C)(C)C 133221111 ZZRGDFSELCGIMY-UHFFFAOYSA-N 306.225 2.834 0 50 DFAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(CCO)CC1 242048015 VRZQDKICLHOQDI-CYBMUJFWSA-N 305.418 2.783 0 50 DFAA O=S(=O)(c1ccc(Cl)s1)N1CCc2cnccc21 175313941 ABWTYGCJDBDLHM-UHFFFAOYSA-N 300.792 2.548 0 50 DFAA Cc1ccc(CCC(=O)N2C[C@H](C(=O)O)CC[C@H]2C)c(C)c1 263275034 WNWFQDMXICQTCG-GDBMZVCRSA-N 303.402 2.948 0 50 DFAA COc1cc(C(=O)NC2(CC(=O)O)CCCCC2)ccc1F 220473346 HHMPAIDQLYCNPU-UHFFFAOYSA-N 309.337 2.742 0 50 DFAA O=C(O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 263560704 BQETVAPRTIQMAC-AEFFLSMTSA-N 314.429 2.834 0 50 DFAA Cn1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)ccc1=O 135143540 RTIMIACCTWPEGX-CQSZACIVSA-N 300.358 2.736 0 50 DFAA CSCC1CCN(C(=O)c2ccc(C)c(OCCN)c2)CC1 426623265 QKAICZZZKBWKOQ-UHFFFAOYSA-N 322.474 2.548 0 50 DFAA CCOc1ccnc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 426578864 SVFQKNQJVUOANN-AWEZNQCLSA-N 313.401 2.936 0 50 DFAA C[C@@H](NC(=O)c1csc(CN)n1)C(C)(C)c1ccccc1 178489911 XSBRJYOYXPQPPT-LLVKDONJSA-N 303.431 2.698 0 50 DFAA CCCc1oncc1C(=O)N1CCC(CCn2cccn2)CC1 91526617 HIWGCAXPBHDZQL-UHFFFAOYSA-N 316.405 2.766 0 50 DFAA Cc1noc2nc3c(c(-c4nc([C@H]5CCOC5)no4)c12)CCC3 96160139 DTAFCNSCVLFEBK-VIFPVBQESA-N 312.329 2.574 0 50 DFAA COc1cccc(OCCCN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1 91493654 WMVYVAJXIMXKNY-DLBZAZTESA-N 319.401 2.507 0 50 DFAA Cc1ccccc1[C@@H](C(=O)N1CC(c2ccccn2)C1)N(C)C 95519199 SDPKGHUGJAMCIS-SFHVURJKSA-N 309.413 2.619 0 50 DFAA CS[C@H](C)Cc1cn(Cc2noc(C3CCCC3)n2)nn1 91781870 MIZQTCJHWMFOEO-SNVBAGLBSA-N 307.423 2.661 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1cccc(OC)c1)C2 95352722 JHUVHJKLAQZLNJ-IAGOWNOFSA-N 316.445 2.571 0 50 DFAA Cc1nnc(CCNC(=O)c2c[nH]nc2C2CCCCC2)s1 91895191 OABDXASNFYETSD-UHFFFAOYSA-N 319.434 2.590 0 50 DFAA O=C(O)[C@H](c1ccsc1)N1CCC(O)(c2ccccc2)CC1 95386962 UEBOZSGDDKYPGD-HNNXBMFYSA-N 317.410 2.857 0 50 DFAA C[C@H](c1cnn(C)c1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 180768680 MKXGTIOJNLAICL-GFCCVEGCSA-N 309.373 2.643 0 50 DFAA CC(C)Nc1ccnc(C[C@H]2CC(=O)N(c3ccccc3)C2)n1 244872837 WFHWUZQFCMIXLI-AWEZNQCLSA-N 310.401 2.893 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)O1 299751291 QETJVYWBIPFAFR-ZSAUSMIDSA-N 309.406 2.578 0 50 DFAA BrC1(Br)C[C@@]12[C@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]12 254875240 SAJYWOSOSGXRGO-KKMLGYMDSA-N 302.009 2.860 0 50 DFAA COCC1(NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)CCCC1 299762315 UKWWBHQIWJEKEQ-CYBMUJFWSA-N 323.462 2.649 0 50 DFAA O=C(Cc1ccccc1C(F)(F)F)N1CCC[C@@H](O)CC1 294662914 FBZKGUVELFEVCC-GFCCVEGCSA-N 301.308 2.621 0 50 DFAA Cc1nonc1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 845231013 CAQWGBPQEUAYAY-UHFFFAOYSA-N 313.279 2.598 0 50 DFAA O=C(Nc1cn(-c2ccccc2)nn1)c1ccn(C2CCCC2)n1 1337803895 HJNJRGIGAMSPBM-UHFFFAOYSA-N 322.372 2.831 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)no1 169977926 HBRXLILNOGVGDY-CQSZACIVSA-N 301.346 2.533 0 50 DFAA O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)nc1OC1CCC1 170595815 FGOLKCUXRNRVFT-OLZOCXBDSA-N 324.808 2.700 0 50 DFAA COc1ccc(OC)c(C(=O)N[C@H]2COc3ccc(F)cc32)c1 170596808 CMECRZDFEFXWCN-AWEZNQCLSA-N 317.316 2.706 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(OC)cc1OC 277290702 UTUCLFXVTAXHTF-CVEARBPZSA-N 321.417 2.867 0 50 DFAA CO[C@H](C)c1nc(C)c(C(=O)Nn2cnc3ccccc32)s1 170653193 MJTVFPIIARBDPD-SNVBAGLBSA-N 316.386 2.893 0 50 DFAA CSC[C@@H](C)CNS(=O)(=O)c1cccc2c1N=S=N2 170626294 JAQAVWROQDULLN-QMMMGPOBSA-N 317.461 2.690 0 50 DFAA CN(C(=O)c1c2c(nn1C)CCCC2)c1cc(F)ccc1F 676225077 PNMUTAPRQCPYRR-UHFFFAOYSA-N 305.328 2.854 0 50 DFAA CC(=O)N1CCN(Cc2ccccc2N[C@H](C)C2CCC2)CC1 192838493 IPBJUCBEMORWMS-OAHLLOKOSA-N 315.461 2.951 0 50 DFAA Cc1[nH]c2ncnc(N3CCO[C@H](CC(F)(F)F)C3)c2c1C 664632051 OIHSLHMLIBVFOI-SNVBAGLBSA-N 314.311 2.732 0 50 DFAA CCO[C@H](CC)C(=O)Nc1c(Cl)nn(C)c1C(F)(F)F 1615547960 AYYNPWUTDADAOA-ZCFIWIBFSA-N 313.707 2.846 0 50 DFAA Cc1ccc(-c2nnc3s/c(=C\c4ccc(C)o4)c(=O)n23)cc1 32121 RNNNLNVIBBQRFA-ZROIWOOFSA-N 323.377 2.576 0 50 DFAA COc1cccc(NS(=O)(=O)c2cc(C)ccc2OC)c1 527869 YGJAZKIUNSOLTE-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA CC(C)(C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccccc1 1529091129 OBTIIGVBXSDKHX-SJLPKXTDSA-N 324.424 2.733 0 50 DFAA CCn1ccnc1CNc1nc(N2CCCC2)nc(C)c1C 1704345436 XZKYVWWVCRMIJR-UHFFFAOYSA-N 300.410 2.522 0 50 DFAA Cc1ccc2c(c1)N(CC(=O)N[C@H](C)c1ccccc1)C(=O)CO2 423118 HLBLSVDPJBJBNN-CQSZACIVSA-N 324.380 2.598 0 50 DFAA CNCc1nnc(NCC2(c3ccc(OC)cc3)CCCC2)o1 1772708944 FJSDJPFMBHBRCC-UHFFFAOYSA-N 316.405 2.722 0 50 DFAA CCCOc1cc(C)ccc1S(=O)(=O)NCc1cccnc1 12556178 VDARBXKFDXUZCY-UHFFFAOYSA-N 320.414 2.657 0 50 DFAA COc1ccc(C(=O)[C@H]2CCCN(C3CCOCC3)C2)cc1F 14960256 TVIMFJCVDWODGA-AWEZNQCLSA-N 321.392 2.908 0 50 DFAA COc1ccc(N2C3=[N+](CCCC3)C[C@@]2(O)c2ccccc2)cc1 17180078 YBRPCGSNWDOPLV-HXUWFJFHSA-N 323.416 2.955 0 50 DFAA O=C(NCCCCc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 2757095 BYKCRQQMVNPFKN-JKSUJKDBSA-N 301.386 2.793 0 50 DFAA Cc1cccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)c1 4348814 SFFMUNLAAOJUQE-QGZVFWFLSA-N 310.378 2.880 0 50 DFAA O=C1C[C@H](c2ccc(-c3nccc(C(F)(F)F)n3)cc2)CN1 1875247960 WMYQIUUCAZTXKF-NSHDSACASA-N 307.275 2.766 0 50 DFAA Cc1nn(C[C@@H](O)COc2ccc3c(c2)CCC3)c(C)c1C 1068740 OYIKJYAVINJMNP-QGZVFWFLSA-N 300.402 2.737 0 50 DFAA CCn1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)cn1 328643886 ZBFGUOUCBHMQRB-LBPRGKRZSA-N 318.446 2.860 0 50 DFAA Cc1nn(CC(=O)N2CC3(CCC3)[C@H]2C2CC2)c(C)c1Cl 365778321 IRRUOLBVRGNGRD-OAHLLOKOSA-N 307.825 2.944 0 50 DFAA COc1ccccc1CC1(O)CCN(C(=O)[C@H](C)C2CC2)CC1 366819619 GQEYQVUTSZOTJA-CQSZACIVSA-N 317.429 2.637 0 50 DFAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1c(F)cccc1Cl 263479801 GBVPRKBTKAIBDH-NXEZZACHSA-N 313.756 2.733 0 50 DFAA CC[C@@H](C(=O)O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 263577181 REZUITNHKXKPKO-QWHCGFSZSA-N 301.745 2.716 0 50 DFAA COc1cccc(Cc2noc([C@]34C[C@H]3COC43CCC3)n2)c1 903983338 HYMAJJQEPYTRDW-UGSOOPFHSA-N 312.369 2.880 0 50 DFAA Cc1cc2nccc(NC(=O)N3CC[C@@H](c4ccco4)C3)n2n1 932440322 VPVPDGPHQHSASM-GFCCVEGCSA-N 311.345 2.652 0 50 DFAA CC/C(C)=C/C(=O)N1C[C@@H](C)O[C@@H](c2nc(C3CC3)no2)C1 857842024 QGSLTEHTEFINCR-BQXLGMDRSA-N 305.378 2.592 0 50 DFAA Cc1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc1O 1875284763 LMVVRVBIRNBADI-GOSISDBHSA-N 312.413 2.879 0 50 DFAA COCCn1ncc2c1[C@H](N=c1c(F)c[nH]cc1Cl)CCC2 1875287210 YRVSOSBYFCKTNY-CYBMUJFWSA-N 324.787 2.628 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1nnc(-c2ccccc2)o1 1875282718 PPSPGQDBKRBAJQ-VIFPVBQESA-N 311.345 2.568 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2CC[C@@H](C3CC3)O2)[nH]1 1875272138 LJJUUHQFOUNJPB-YOEHRIQHSA-N 310.401 2.638 0 50 DFAA CC(C)CN1C[C@H](c2noc([C@@H]3CC(C)(C)CO3)n2)CCC1=O 1875303487 AKPDEKDGRXBYRT-OLZOCXBDSA-N 321.421 2.919 0 50 DFAA O=C1NCCCN1c1cc(N[C@H]2COC3(CCC3)C2)ccc1F 894509982 HAJNOXCWEFYYGE-CYBMUJFWSA-N 319.380 2.869 0 50 DFAA CCOc1ccc(CN(CC(OC)OC)C(=O)[C@@H]2C[C@H]2C)cc1 1775993934 ONBBVYQKYASCRH-CZUORRHYSA-N 321.417 2.689 0 50 DFAA OC[C@H]1CN(c2ncc(C(F)(F)F)s2)CCC1(F)F 359954072 IISSIOUNAZTMRJ-ZCFIWIBFSA-N 302.268 2.616 0 50 DFAA Cn1cnc2cnc(N3CCC4(C=Cc5ccccc54)CC3)nc21 2100483468 WIJZTJWGCSCTNK-UHFFFAOYSA-N 317.396 2.928 0 50 DFAA Cc1cnc(N=c2[nH]n(CC3CC3)c3ccccc23)nc1N(C)C 2100547666 MQZVSXUCTQOEOS-UHFFFAOYSA-N 322.416 2.776 0 50 DFAA COc1cc(NC(=S)Nc2cccnc2)cc(OC)c1OC 13483398 ZHXLDJPVUCWQFO-UHFFFAOYSA-N 319.386 2.916 0 50 DFAA Cn1nnc2cc(CNc3ccc4c(c3)CNCCC4)ccc21 2325777477 FUCBRCUYPYVQAV-UHFFFAOYSA-N 307.401 2.616 0 50 DFAA C[C@@]1(NC(=O)c2occ3c2CCOC3)CCOc2ccccc21 887058734 RZPLGFXYHCXJAW-GOSISDBHSA-N 313.353 2.780 0 50 DFAA Cc1ncoc1-c1noc(CC2CCN(CC(F)F)CC2)n1 904080473 WJYJBHJFPZKQLC-UHFFFAOYSA-N 312.320 2.553 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C)C1 172396 SBNFKGGEKLPCHT-JTQLQIEISA-N 303.811 2.769 0 50 DFAA NC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCCC3 968935 CZFFOWAILSOJRF-UHFFFAOYSA-N 324.409 2.918 0 50 DFAA CCOc1ccc(NC(=O)c2cc(CN3CCCC3)on2)cc1 8605928 JQZNLNWJFSXJNI-UHFFFAOYSA-N 315.373 2.921 0 50 DFAA CCOc1cc(S(=O)(=O)Nc2ncccc2C)ccc1F 8714962 ZDJJHTJUBDTMII-UHFFFAOYSA-N 310.350 2.729 0 50 DFAA C[C@@]1(C2CC2)NC(=O)N(CCSCc2ccccc2)C1=O 225554840 NQARMXRYAVIDFG-INIZCTEOSA-N 304.415 2.640 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)no1 225676979 LHYJJVLPNIVFHS-ZFWWWQNUSA-N 318.348 2.885 0 50 DFAA C[C@@](O)(CNCc1ccc2cn[nH]c2c1)c1ccc(F)cc1F 114509197 OOEIADZQLKJBNC-QGZVFWFLSA-N 317.339 2.838 0 50 DFAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCCc1cccnc1 55384073 GAZBQOGCZWJQQR-KRWDZBQOSA-N 313.401 2.640 0 50 DFAA COc1ccc(S[C@H](C)C(=O)NCc2cccnc2)cc1 20457772 DHMDKYCTVFVENP-GFCCVEGCSA-N 302.399 2.887 0 50 DFAA COc1cc(C)c([C@@H]2CC(=O)NCc3nc(N)sc32)cc1C 65502403 DDYRSNWBHNARLB-NSHDSACASA-N 317.414 2.503 0 50 DFAA Cc1ncc2c(c1-c1noc(-c3cc(C4CC4)on3)n1)CCNC2 20536680 JWEWAKHIRQAOLG-UHFFFAOYSA-N 323.356 2.618 0 50 DFAA COc1ccc(F)c(-c2nc(CN3CCN[C@@H](C)C3)c(C)o2)c1 67956050 HSPSPIXIEAPNNY-NSHDSACASA-N 319.380 2.591 0 50 DFAA COc1ccc(CNC(=O)c2nc(SC)ncc2Cl)cc1 4811223 BZPADBBQRQSSDN-UHFFFAOYSA-N 323.805 2.791 0 50 DFAA COc1ccc([C@@H](CCO)NC(=O)c2cccs2)cc1OC 6847313 VDRJOTHSDNSSKM-GFCCVEGCSA-N 321.398 2.619 0 50 DFAA CO[C@@H]1CCN(c2nc(N(C)C)c3ccccc3n2)C[C@H]1C 450752559 FYSJGAILODLEIV-IUODEOHRSA-N 300.406 2.557 0 50 DFAA O=C(N[C@@H]1COc2ccccc2C1)c1cccc(-n2ccnc2)c1 172107746 OTEUJZVTHWFWKI-INIZCTEOSA-N 319.364 2.606 0 50 DFAA COC[C@H]1[C@H](NC(=O)Nc2ccccc2C(C)C)[C@H]2CCO[C@H]21 1074580644 KGIXAXVNDIDDTJ-YALNPMBYSA-N 318.417 2.981 0 50 DFAA Cc1cscc1NC(=O)C(=O)N(C)[C@@H](C)c1cccnc1 126256517 YOPGXYPNMGOCPT-NSHDSACASA-N 303.387 2.610 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 282136070 PQKCXHWFABRQBS-KURKYZTESA-N 317.429 2.989 0 50 DFAA Cn1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)c2ccccc21 262398694 HCDWKDSHMWJAPF-AWEZNQCLSA-N 312.369 2.505 0 50 DFAA COc1cccc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c1 375030868 MMMFDWWAYXYHCO-SFHVURJKSA-N 315.344 2.568 0 50 DFAA Cc1ccc(SCCC(=O)N[C@H]2CCNC[C@@H]2C)cc1C 262700037 ANRRDVXVDHHLDZ-HOCLYGCPSA-N 306.475 2.900 0 50 DFAA COc1ccc(CC(=O)N2CCCC[C@H]2[C@@H](C)N)c(Cl)c1 237174000 QSLUKVAWTYPAGK-ABAIWWIYSA-N 310.825 2.619 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2n[nH]cc2Cl)CCCN1CC1CC1 71753506 WXFFMIGNKPZYKT-AWEZNQCLSA-N 324.856 2.646 0 50 DFAA COc1cccc(/C(C)=C/C(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 237351683 BTHGNVVGGPTDRR-QCIVWTMKSA-N 302.418 2.684 0 50 DFAA COC[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)nc2ccc(F)cc12 1074608597 XEMUGLKJZKZPKC-HZMBPMFUSA-N 318.348 2.624 0 50 DFAA O=C(NCC1(COc2ccccc2)CC1)[C@@H]1CCC[C@H](O)C1 1074637256 NEYQQOJWNDNFFY-CABCVRRESA-N 303.402 2.513 0 50 DFAA Cc1sc(=O)n(CC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c1C 457154576 AKEPFHHSMDMMER-HNNXBMFYSA-N 322.474 2.954 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2c(C)coc2C)c1 284947426 JABVMEJPFGMDBE-GOEBONIOSA-N 315.369 2.853 0 50 DFAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Cl 286268234 LSODYYKNQZNFOL-BMFZPTHFSA-N 323.820 2.650 0 50 DFAA CCC[C@]1(CO)CCCN(Cc2ccccc2OCC(=O)O)C1 91876873 SWHXDPUNFBECRE-SFHVURJKSA-N 321.417 2.525 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 239761332 CJPDMTJKEJSHQB-DJIMGWMZSA-N 320.433 2.716 0 50 DFAA CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1 97819590 XOOIZQPIOQDXJI-UHFFFAOYSA-N 300.358 2.824 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccccc1C)C2 95389524 PVUACVUMOOACJL-SJLPKXTDSA-N 300.446 2.870 0 50 DFAA COCc1noc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)n1 180189925 BYRSSYVGBDXBEU-ZDUSSCGKSA-N 323.780 2.523 0 50 DFAA Cc1cc(Cl)ccc1S(=O)(=O)Nc1ncccc1F 180256352 QGIXCDMOOFKMIW-UHFFFAOYSA-N 300.742 2.983 0 50 DFAA O=S(=O)(N[C@@H]1CCCOc2c(Cl)cccc21)C1CC1 180838068 ASFDWUALWXTEII-GFCCVEGCSA-N 301.795 2.636 0 50 DFAA O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@H]1CC12CCCCC2 181162004 JTPCKZRJSGHSLO-HNNXBMFYSA-N 311.385 2.945 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H]1CCCNC1 621621033 PKETWWVBEVOZBR-NSHDSACASA-N 305.809 2.859 0 50 DFAA CCN(C)C1(CNC(=O)c2cccc(F)c2OC)CCCC1 534633635 IVPYOLJOWAOCCL-UHFFFAOYSA-N 308.397 2.829 0 50 DFAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cccn1C1CC1)C2 299799307 RDOIZWNWILDEOI-UHFFFAOYSA-N 310.401 2.968 0 50 DFAA CCCc1nc(N2CCC[C@H](c3nc(C(C)C)no3)C2)no1 670467587 IXYURICYPLILAS-NSHDSACASA-N 305.382 2.913 0 50 DFAA CCc1nccc(CNCCOc2cccc3cccnc23)n1 952967198 IVNZZPSRONWLGZ-UHFFFAOYSA-N 308.385 2.756 0 50 DFAA CC1CCC([C@H](N)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 958528240 LJCQFIMMECZVRB-QKRUXVEJSA-N 312.454 2.512 0 50 DFAA Cc1cc(NC(=O)C[C@@H]2CCCOC2)ccc1N1CCCC1=O 952967827 MTXPPSCTSJERDX-AWEZNQCLSA-N 316.401 2.877 0 50 DFAA Cc1nnc(SCCCN[C@@H](C)Cn2ccnc2C)s1 952966936 XRHGOXKKXKJDSH-JTQLQIEISA-N 311.480 2.512 0 50 DFAA COc1ccc(/C=C(\C)CN[C@@H]2CCN(C(C)C)C2=O)cc1 222155521 NATFLRHRPWVFTQ-GWKQRERASA-N 302.418 2.697 0 50 DFAA Cc1cc(N[C@@H](C)CS(C)(=O)=O)cc(C)c1Br 170612400 FFDNEDNPWADBFG-JTQLQIEISA-N 320.252 2.911 0 50 DFAA Cc1cncc(NC(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 170615540 NXLNUBSHTLCFHE-UHFFFAOYSA-N 322.372 2.539 0 50 DFAA O=C(CC[C@@H]1CCCO1)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327773 VBMBLGWKBPYWAZ-SOUVJXGZSA-N 303.358 2.772 0 50 DFAA Cc1cc(O)nc([C@@H](C)N2CCC(C(=O)OC(C)(C)C)CC2)n1 279500479 PHLNVCUVIMTWEV-GFCCVEGCSA-N 321.421 2.605 0 50 DFAA Cc1nnc(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)s1 185926899 LHJJWOUJJGYLJG-OAHLLOKOSA-N 316.386 2.510 0 50 DFAA C[C@H](c1nncn1C)N1CCC[C@H](Cn2cnc3ccccc32)C1 585117911 BFJWHJSGYYTIFZ-CABCVRRESA-N 324.432 2.638 0 50 DFAA O[C@@H](CN1CCCN(c2ccccn2)CC1)C1CCCCC1 191106946 WNVPPQOKRKXCOM-KRWDZBQOSA-N 303.450 2.535 0 50 DFAA CC(=O)Nc1cccnc1NC(=O)c1ccoc1Br 192475260 PKEAZDVIUVFMLD-UHFFFAOYSA-N 324.134 2.648 0 50 DFAA Cc1ncc(CNC[C@H]2CCCc3ccc(C(=O)O)cc32)cn1 1600736645 BDKSIIXXWAPKOE-MRXNPFEDSA-N 311.385 2.693 0 50 DFAA CN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 556332 CJABDPLDDATNST-UHFFFAOYSA-N 313.376 2.830 0 50 DFAA NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 2169527 JJQKICOADUKSNS-UHFFFAOYSA-N 312.822 2.510 0 50 DFAA in-vitro O=C(Nc1ccccc1F)[C@H]1CC(=O)N(Cc2ccccc2)C1 14494352 CPHKMWCLCOHHEI-AWEZNQCLSA-N 312.344 2.813 0 50 DFAA CCOC(=O)c1cnn(-c2ccc(C)cc2)c1CN1CCCC1 14958309 JRJIQGZOLFIMHN-UHFFFAOYSA-N 313.401 2.953 0 50 DFAA Cc1nc(CN2CCC(c3nc(C(C)C)no3)CC2)cn1C 1857689470 FJIJFZBWXZMJNH-UHFFFAOYSA-N 303.410 2.615 0 50 DFAA CCn1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](OC)[C@H](N)C1 1857728878 PVEDRHAZUBXYHT-RRFJBIMHSA-N 300.406 2.575 0 50 DFAA Cc1c(Cl)cc(NC(=O)[C@H]2CCCC(=O)N2)cc1Cl 615007714 DXCJRMFWPWLQEH-LLVKDONJSA-N 301.173 2.909 0 50 DFAA CN(CC1(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[C@@H]1CCO 225440456 IXFUFGFYIHDMJE-NVXWUHKLSA-N 316.445 2.911 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)CCOc2ccccc2Cl)C1 237410482 ICTYWBOZIQDYKO-STQMWFEESA-N 310.825 2.695 0 50 DFAA CCCc1csc(NC(=O)[C@H]2CCCN(C(=O)CC)C2)n1 127177112 JZFWHIPQRSRQQD-NSHDSACASA-N 309.435 2.683 0 50 DFAA C[C@H]1CN(C(=O)CN2CCCCC[C@H]2c2ccco2)C[C@@H](C)O1 245225513 WSYDRDYQVSJIOT-XHSDSOJGSA-N 320.433 2.833 0 50 DFAA O=C(Cc1cccc(F)c1F)N1CCC[C@H](c2ccncn2)C1 15003924 XLELEEJCNWRNSS-ZDUSSCGKSA-N 317.339 2.704 0 50 DFAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1C[C@@H](CO)[C@H](c2ccsc2)C1 249508187 LSAAFEXZIGSGIH-ARKGTOAJSA-N 305.443 2.719 0 50 DFAA O=C(Nc1ncccn1)[C@]12CCC[C@H]1CN(Cc1ccccc1)C2 901756227 AOCIUDUKYCHNKP-LPHOPBHVSA-N 322.412 2.717 0 50 DFAA CCc1cccc(OCC(=O)N[C@@H]2CCC[C@H](C(=O)O)CC2)c1 1875287538 NKUPFQNXQRUEKI-LSDHHAIUSA-N 319.401 2.778 0 50 DFAA CC[C@@H]1NC(=O)N(c2cc(OC)cc(C(F)(F)F)c2)C1=O 1875291055 MPCOVXNRBCHUNN-JTQLQIEISA-N 302.252 2.549 0 50 DFAA CCC(=O)N[C@@H](C(=O)NC1CC(C2CCC2)C1)c1ccccc1 1875278628 QAKRMMTVVOFBKU-LEOMRAHMSA-N 314.429 2.949 0 50 DFAA Cc1nnc(C(=O)N2CC(OCc3cccc4ccccc34)C2)o1 1875281971 HMJFDNUCENMHHA-UHFFFAOYSA-N 323.352 2.572 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](CC)c2ccccc2)CC1 1875365820 GRBNXUQPMYDPNU-INIZCTEOSA-N 300.402 2.679 0 50 DFAA CCN(CC)S(=O)(=O)c1cc(C)cc(Br)c1 38536937 KOCFFNDIHRUPFA-UHFFFAOYSA-N 306.225 2.788 0 50 DFAA in-vitro Cc1c(F)cccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 1427004 ZPZHVGFRBZYNGJ-UHFFFAOYSA-N 300.289 2.717 0 50 DFAA CC[C@@H](NCc1c2c(nn1C)CCOC2)[C@H]1C[C@H]2CC[C@H]1C2 2325783950 NTKUVVFMGGDDIT-RZLSGREXSA-N 303.450 2.797 0 50 DFAA Cc1cc2nccnc2cc1-c1ccc2c(c1)C(=O)NCCO2 2325861107 GAHWMRBLOASFPV-UHFFFAOYSA-N 305.337 2.727 0 50 DFAA CC(=O)Oc1ccc(C(=O)COc2ccc(F)cc2)c(O)c1 389054 KANCGXUNSZDJQV-UHFFFAOYSA-N 304.273 2.718 0 50 DFAA Cn1cnc2nc(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncc21 2356151846 COWQCMZHHAWLQQ-GDBMZVCRSA-N 323.400 2.913 0 50 DFAA O=C(NCCCN1CCCC1=O)Nc1ccc(F)c(Cl)c1 2851471 LQGRJAXFCQJOIC-UHFFFAOYSA-N 313.760 2.613 0 50 DFAA CCc1ccc2c(c1)[C@@](O)(CC(=O)c1c(C)coc1C)C(=O)N2 6747076 HJTNAMKEBVIUNX-SFHVURJKSA-N 313.353 2.872 0 50 DFAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2ccncc2)cc1 225524451 FSJPFFNCJUYQTE-RBUKOAKNSA-N 312.413 2.962 0 50 DFAA COC[C@@H]1CCCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)C1 113585763 GOTFBZHMKMPYKO-GDBMZVCRSA-N 320.433 2.781 0 50 DFAA CCCn1cnnc1CNCc1c[nH]nc1-c1ccc(F)cc1 55404702 YAUTTXPFMRPPTH-UHFFFAOYSA-N 314.368 2.507 0 50 DFAA Fc1ccc(N2CC[C@@H](NCC3(Cn4cccn4)CC3)C2)cc1 65463276 UXIZVSWSRWVEAS-MRXNPFEDSA-N 314.408 2.671 0 50 DFAA CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 22204650 BAHWBLGZSGIKQC-KBXCAEBGSA-N 310.397 2.611 0 50 DFAA Cc1oc(-c2cccc(F)c2F)nc1Cn1cc(CCO)cn1 67921872 LXSBLROSLWMIKN-UHFFFAOYSA-N 319.311 2.708 0 50 DFAA Fc1ccc(-c2noc3c2CN(c2cnccn2)CC3)cc1F 67851651 NMZMQEPQRBBAHA-UHFFFAOYSA-N 314.295 2.973 0 50 DFAA CC(C)c1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 65528043 GKMXYIWHYKDUCG-UHFFFAOYSA-N 311.433 2.601 0 50 DFAA Cc1ccc(F)cc1CC(=O)N[C@H](c1nccn1C)C(C)C 67541318 QKCXNLQBILWVIM-INIZCTEOSA-N 303.381 2.924 0 50 DFAA Cn1ccnc1[C@@H]1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 328586324 ZAUBTCIXXACLRT-QWHCGFSZSA-N 311.376 2.952 0 50 DFAA Cc1ccc(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc1 328646154 SKUGBHURHZENST-LBPRGKRZSA-N 324.350 2.958 0 50 DFAA Cc1ccc(O)c(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 281825445 RLIMKSALPKPXKD-HOCLYGCPSA-N 302.349 2.543 0 50 DFAA COc1cccnc1N(C)C(=O)c1csc([C@H]2CCCO2)n1 123157418 DYFQRXBVKODIQQ-GFCCVEGCSA-N 319.386 2.675 0 50 DFAA CCc1ccccc1O[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1O 72115750 KOPIKYRAMITANH-KBMXLJTQSA-N 305.418 2.778 0 50 DFAA C[C@@H](NC(=O)c1ccc(C(=O)O)cc1)[C@H]1COc2ccccc21 237513500 FZSXATDAABDAMT-IAQYHMDHSA-N 311.337 2.679 0 50 DFAA COc1ccc(F)c(CNC(=O)c2cnn(C(C)C)c2)c1F 77438125 GAESSTOSPHKGKX-UHFFFAOYSA-N 309.316 2.681 0 50 DFAA C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@H]3CCCO3)n2)C1 241644257 PPOHLNYMGHIJBO-YRGRVCCFSA-N 323.462 2.739 0 50 DFAA CNc1nc(C)cc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)n1 376992788 NGOJRHRNFUEYJP-SIFUEBAJSA-N 322.412 3.145 0 50 DFAA CCC1(O)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 158998831 KEQGZJAHKOAELY-UHFFFAOYSA-N 304.268 2.574 0 50 DFAA C[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ncc[nH]1 72418623 XFLRAXBWHGRMJW-GFCCVEGCSA-N 301.390 2.604 0 50 DFAA O=c1c2cnc3ccnn3c2ccn1Cc1ccc(Cl)cc1 40387526 AFVKIIYCSGZDLQ-UHFFFAOYSA-N 310.744 2.746 0 50 DFAA Cc1ccc(OC[C@H]2CCCN(C(=O)Cn3ccnc3)C2)cc1 77319913 ZCMVUWXUHXGBBT-INIZCTEOSA-N 313.401 2.509 0 50 DFAA CC(C)(C)OC(=O)n1[nH]c(=O)c2cc(Br)ccc21 221336446 YLSKOFPXJJZOPP-UHFFFAOYSA-N 313.151 2.875 0 50 DFAA Cc1nnc(N[C@@H]2CCN(c3ccc(Br)cc3)C2)o1 287930680 PJSUXBMZKAGVJP-LLVKDONJSA-N 323.194 2.831 0 50 DFAA CN(Cc1noc2c1CCCC2)C(=O)CSc1ccncc1 222643323 DDRXXEPYCLHFDC-UHFFFAOYSA-N 317.414 2.699 0 50 DFAA Cn1ccnc1CN(C(=O)c1cc(-c2ccccc2)on1)C1CC1 47267511 UJARFUQBVRHYLH-UHFFFAOYSA-N 322.368 2.880 0 50 DFAA CCn1cnc(NC(=O)N(C)Cc2cccc(SC)c2)n1 48422213 VWPXLJNIOMGLOQ-UHFFFAOYSA-N 305.407 2.684 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)Cc2nc3ccccc3[nH]2)C1 426465137 ILXLCZSDOQNDTL-CYBMUJFWSA-N 301.390 2.523 0 50 DFAA CC(C)=CCN1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 223838104 MJXSVUBMDTVAHU-IBGZPJMESA-N 311.429 2.941 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(Cl)cc2O)C1 95357310 SEZBHYZBYUSKOA-NSHDSACASA-N 308.809 2.744 0 50 DFAA CC(C)NC[C@@H](O)COc1ccccc1C(=O)c1ccccc1 96028053 ZYTXYUKRQOQMQR-MRXNPFEDSA-N 313.397 2.655 0 50 DFAA C[C@H](c1ccc(-c2cnn(-c3nn[nH]n3)c2)cc1)N1CCCCC1 426503224 FZDDNMJJHFMZNB-CYBMUJFWSA-N 323.404 2.599 0 50 DFAA CCc1ccc(C(=O)NC[C@H]2COc3cc(OC)ccc3C2)[nH]1 426393081 UFVAYXJCLSVTLQ-LBPRGKRZSA-N 314.385 2.567 0 50 DFAA Cc1ccnc([C@H](NC(=O)CCc2n[nH]c(C)c2C)C2CC2)c1 97578760 JSQQKHSDKNOFLY-GOSISDBHSA-N 312.417 2.930 0 50 DFAA COc1cc(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)ccn1 91587522 QKQSFLIIQUGPCE-LBPRGKRZSA-N 316.361 2.574 0 50 DFAA CC1(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)CC1 91830045 JKMUJBVOPPGDAQ-GOEBONIOSA-N 312.413 2.550 0 50 DFAA O=C(Nc1ccc(F)cc1)N1CCC(N2CCSCC2)CC1 95508864 XWIOKRGNONTFOO-UHFFFAOYSA-N 323.437 2.871 0 50 DFAA CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 96903803 VAYOSLLFUXYJDT-RDTXWAMCSA-N 323.440 2.906 0 50 DFAA investigational CCC[C@@]1(CO)CCCN(C(=O)Cc2sc(C)nc2C)C1 91351055 PRKQZZKTAQFVSY-MRXNPFEDSA-N 310.463 2.704 0 50 DFAA CC[C@]1(CNC(=O)c2nc(C)oc2C)OCCc2ccccc21 293363358 MQPQIRCOHRYUIA-GOSISDBHSA-N 314.385 2.899 0 50 DFAA Cc1c(C(=O)N[C@H](C(=O)O)C2CCCCC2)cnn1C(C)(C)C 621585543 CZFVUBOESXEOSX-AWEZNQCLSA-N 321.421 2.710 0 50 DFAA O=C(N[C@H]1C[C@H](c2cc(O)nc(C3CC3)n2)C1)c1ccsc1 253535057 BHNIGDMLQPXRTE-HAQNSBGRSA-N 315.398 2.797 0 50 DFAA COCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](N)C1 534582607 DXAQPTXQWGETGU-HIFRSBDPSA-N 324.852 2.833 0 50 DFAA CCC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1nccn1C 299792996 HLFVBFVPWFHWLB-LBPRGKRZSA-N 323.828 2.544 0 50 DFAA CCCc1nc(C)c(CNC(=O)CN2C[C@@H]3CC[C@H]2C3)s1 823015171 JSNPYFGOGMZLAP-OLZOCXBDSA-N 307.463 2.505 0 50 DFAA C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc[n+]([O-])c2)C1 1356497858 KDIORBHMHDEUAF-SFHVURJKSA-N 311.385 2.906 0 50 DFAA CC[C@@H]1CN(CC)CCN1C(=O)c1ccccc1OC1CC1 411060977 PFNHMNZRBXPJPM-CQSZACIVSA-N 302.418 2.784 0 50 DFAA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCC1 271338016 WTUKYMDHYPXSOY-INIZCTEOSA-N 318.417 2.996 0 50 DFAA O[C@H](c1ccccc1)c1nncn1Cc1ccc(F)c(F)c1 170087486 SOVXNVCHOMMWDT-OAHLLOKOSA-N 301.296 2.686 0 50 DFAA C[C@@H](Oc1ccc(NC(=O)[C@H]2CC=CCC2)cc1F)C(=O)O 630260002 TXIPQWTZPPVPDJ-MNOVXSKESA-N 307.321 2.972 0 50 DFAA C[C@H]1C(=O)NCCCN1Cc1csc(-c2ccc(F)cc2)n1 189097645 CVIWILHFLACMQM-NSHDSACASA-N 319.405 2.660 0 50 DFAA Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190204958 QIQLGGMDSKFLDP-RDJZCZTQSA-N 313.401 2.545 0 50 DFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 193373272 NNMLYUFXULMPFP-LLVKDONJSA-N 324.306 2.886 0 50 DFAA CN(C)[C@@H](CNC(=O)Nc1ncccc1F)c1ccccc1 193915652 GQFHPVXYEGQQCL-AWEZNQCLSA-N 302.353 2.645 0 50 DFAA CC1(C)CCN(Cc2coc3ccccc23)CCS1(=O)=O 195202939 VQXDBFFLMCVCAM-UHFFFAOYSA-N 307.415 2.832 0 50 DFAA C[C@@H](CN)N(C)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 653051395 YPLRMUYTZWYXHO-VIFPVBQESA-N 313.323 2.616 0 50 DFAA Cc1nc(CN[C@H]2CCCC[C@H]2OCc2ccccc2)no1 195570321 RWBYFJMBXHWAMN-JKSUJKDBSA-N 301.390 2.996 0 50 DFAA CN(C(=O)Nc1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1 1615053603 HJPPETWCVAGEDJ-OAHLLOKOSA-N 313.357 2.918 0 50 DFAA CC(C)n1cnnc1CN1CCOc2ccc(Cl)cc2C1 1506421803 LTEMBXIHHXCRMM-UHFFFAOYSA-N 306.797 2.907 0 50 DFAA Cc1cc([C@H](C(=O)O)N(C)CCc2ccccn2)ccc1F 1506423848 XYKOINCNGWCQFJ-MRXNPFEDSA-N 302.349 2.829 0 50 DFAA Cc1csc(CN2CCCN(Cc3cccnc3)CC2)n1 1529162390 ZGDOOKSMBGXDQW-UHFFFAOYSA-N 302.447 2.554 0 50 DFAA O=C(CSc1nc2n(n1)CCCCC2)Nc1ccccc1 390133 BVQXUIOEGYHLEN-UHFFFAOYSA-N 302.403 2.735 0 50 DFAA COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 475668 TYNMQZUCZYSBGE-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1ccc(C(F)(F)F)cc1 1772711942 ICSUGIFVWZPRSQ-FZMZJTMJSA-N 312.335 2.901 0 50 DFAA CC(C)c1cc(NCCc2nc(O)c3ccccc3n2)ncn1 1772707607 WHEVCLBODJPTDC-UHFFFAOYSA-N 309.373 2.903 0 50 DFAA O=C(c1cc(-c2cc(Cl)c(O)cc2F)c[nH]1)N1CCOCC1 1772809519 DAHULKNAKZCGBO-UHFFFAOYSA-N 324.739 2.652 0 50 DFAA CN(C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 11819502 LHYMEUAFQMFUGT-UHFFFAOYSA-N 313.279 2.709 0 50 DFAA CC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)c1 4839548 UHKVYBQWSGTMLA-GFCCVEGCSA-N 310.353 2.705 0 50 DFAA COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 4986133 POHNKNUAAXCWGI-NSHDSACASA-N 315.325 2.830 0 50 DFAA NC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 2957403 RZCCNGZKONPLAK-UHFFFAOYSA-N 320.348 2.956 0 50 DFAA CO[C@@H]1CCC[C@H](OC(=O)[C@@H](C)NC(=O)CC2CCCC2)C1 221736724 IAIJJZZVRSXFAG-YUELXQCFSA-N 311.422 2.572 0 50 DFAA CCc1noc(C)c1NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C 626459835 BBHWZRSYAWWNHJ-CPCISQLKSA-N 321.299 2.729 0 50 DFAA O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)[C@@]1(O)CCOC1 333937261 LKLFQLBBJAATPG-YSVLISHTSA-N 323.820 2.634 0 50 DFAA CC(=O)NC1CCN(C(=O)c2c(Cl)oc3ccccc23)CC1 649664703 PMLGKTXPSSBHBB-UHFFFAOYSA-N 320.776 2.827 0 50 DFAA Cc1ccccc1-n1ncc(C(=O)Nc2ccc(N)nc2)c1C 237742676 VSYPFNGMCNCYLD-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA COc1ccc(C(=O)N2CCC[C@@H]2c2noc(C)n2)c(F)c1 363140397 HHGWJUDTGRQIPA-CYBMUJFWSA-N 305.309 2.503 0 50 DFAA Cc1cc([C@H](NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)O)ccc1F 262866593 ASZWPOHITVUXIR-UHXUCMFUSA-N 303.333 2.588 0 50 DFAA O=C(O)[C@@H]1c2ccccc2OCCN1Cc1ncc(C2CC2)o1 903931022 MTOOPNIZFJSHSD-INIZCTEOSA-N 314.341 2.572 0 50 DFAA O=C(c1ccc2c(O)ncnc2c1)N1CC[C@H](c2ccccc2)C1 1142440315 MPNNPXPDWPSYQR-HNNXBMFYSA-N 319.364 2.965 0 50 DFAA Cn1[nH]c(=NC(=O)c2coc3ccc(F)cc23)cc1C(F)F 1875341403 RGAIAKWNQSQHKX-UHFFFAOYSA-N 309.247 2.917 0 50 DFAA CCCCOc1ccc(C(=O)N[C@@]2(C)CC[S@@](=O)C2)cc1 1875387351 DBDPDHUOQVAKGG-HRAATJIYSA-N 309.431 2.506 0 50 DFAA COc1ccc(CNc2ccc(Oc3cccnn3)cc2)nn1 1875309437 SIEXJRRJKRDMKF-UHFFFAOYSA-N 309.329 2.680 0 50 DFAA C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1ccc(F)c(F)c1 895277686 LNKIBSDQIVKXMM-GFCCVEGCSA-N 317.339 2.711 0 50 DFAA Cc1oc(-c2ccccc2)nc1CCNC(=O)C[C@H]1CCCO1 1775985812 BKOFELDOSGFMOT-OAHLLOKOSA-N 314.385 2.878 0 50 DFAA COC(=O)[C@@H]1C[C@H](Nc2cccc3c2CCN3C(C)=O)C1(C)C 1775991550 GUTFLMZVCGLVMI-BBRMVZONSA-N 316.401 2.595 0 50 DFAA Cc1ncsc1CCSc1n[nH]c(=O)n1-c1ccccc1 2504013 CNGXNMWOBWONQC-UHFFFAOYSA-N 318.427 2.660 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)C34CCC(CC3)NC4)cc2)c1C 2325795610 PJASZMKARCZTMG-UHFFFAOYSA-N 324.428 2.960 0 50 DFAA CCC(CC)N(CCOC)C(=O)N[C@H]1CCNCC(C)(C)C1 892497642 UIRCQPOEJXMLBC-AWEZNQCLSA-N 313.486 2.611 0 50 DFAA CC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)C1 108339 NHEYTULEWIQYGS-LLVKDONJSA-N 306.671 2.813 0 50 DFAA c1ccc2c(c1)CCO[C@H]2CNC[C@@H]1COc2ccccc2O1 186663 DEALWTNJDFBZRM-BEFAXECRSA-N 311.381 2.730 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 609892 UVGFGTYKIKFHHF-RISCZKNCSA-N 306.362 2.552 0 50 DFAA C/C(I)=C\S(=O)(=O)c1ccccc1 4761392 VZTMJIBXRDMNSM-BQYQJAHWSA-N 308.140 2.757 0 50 DFAA C[C@H](NC(=O)N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(F)cc1 2356169522 SOYVQUMWWPISJD-JKOKRWQUSA-N 308.353 2.829 0 50 DFAA COc1ccc(-c2noc(CNC(=O)Cc3ccccc3)n2)cc1 6700718 PTTHICHVLOWRJH-UHFFFAOYSA-N 323.352 2.604 0 50 DFAA biogenic Brc1cccc(CN2CCC3(CC2)OCCO3)c1 6731413 VFWPNCFWUFQIQV-UHFFFAOYSA-N 312.207 2.788 0 50 DFAA Cn1ccc2cc(C(=O)N[C@@H](C(=O)O)c3ccccc3)ccc21 170625760 IAPGIIOTLDMNNX-MRXNPFEDSA-N 308.337 2.734 0 50 DFAA biogenic Cc1ncsc1C(=O)Nc1ccccc1CN1CCOCC1 55816949 LSNLDOYRWHULIO-UHFFFAOYSA-N 317.414 2.536 0 50 DFAA O=C(Cc1cccc(F)c1)NCc1cccc(-n2cccn2)c1 20906551 LBROODZZLXOBKY-UHFFFAOYSA-N 309.344 2.870 0 50 DFAA CCn1ccnc1[C@@H](NC1CCC(OC)CC1)C1CCOCC1 344500709 ABDVEIINEYOAIY-JCYILVPMSA-N 321.465 2.918 0 50 DFAA CCc1nc(C)c(C(=O)N(Cc2nccn2C)C2CC2)s1 50316331 LMTRQWCFSFJGNP-UHFFFAOYSA-N 304.419 2.552 0 50 DFAA COC(CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)OC 136746821 CYNOPTAPTCKEIB-JSGCOSHPSA-N 320.216 2.502 0 50 DFAA Cn1cc(C(=O)Nc2cccc3c2CNC3=O)c2ccccc21 345500670 GKFQJFXVXWRKDL-UHFFFAOYSA-N 305.337 2.674 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 248124937 LKCRJJVGYFDJEI-QZTJIDSGSA-N 309.413 2.934 0 50 DFAA Cc1ccsc1CN(C)C(=O)c1cc2c([nH]c1=O)CCCC2 68075351 RSRKSMVLIXERRF-UHFFFAOYSA-N 316.426 2.896 0 50 DFAA Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2cncs2)no1 350911656 ZXWBEGMJBRLTFP-QMMMGPOBSA-N 303.391 2.890 0 50 DFAA CCSCCN(C(=O)c1ccc(=O)n(C)c1)C1CCCCC1 216517681 YQKVDUKJFNTTIM-UHFFFAOYSA-N 322.474 2.913 0 50 DFAA COc1cc(C)sc1C(=O)N[C@H](C)[C@@H](O)c1ccc(O)cc1 215771301 BOYBQXAIBIOUFD-QMTHXVAHSA-N 321.398 2.623 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(-c3cn(C)c4ccccc34)n2CC1 601045319 VBSTUKMSUJTYQE-GFCCVEGCSA-N 324.384 2.562 0 50 DFAA Cc1cc(C)n(C2CN(C[C@@]3(c4ccccc4)CCOC3)C2)n1 216083976 ZUCKWGXNABWJBV-IBGZPJMESA-N 311.429 2.715 0 50 DFAA O=c1cc(CO)occ1OCc1cccc(C(F)(F)F)c1 6861963 VBUXIKNSUQCRFV-UHFFFAOYSA-N 300.232 2.730 0 50 DFAA COc1ccccc1N1CCN(C(=O)CSC(C)C)[C@@H](C)C1 72409246 XCQXMJJGPXFRGJ-AWEZNQCLSA-N 322.474 2.874 0 50 DFAA CCCc1nc(C)c(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)o1 329120112 PPHYIRVHIAJCPD-IUODEOHRSA-N 306.406 2.965 0 50 DFAA Cc1n[nH]cc1C1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 375355340 OQAAOLROGVIXCH-KBPBESRZSA-N 318.465 2.687 0 50 DFAA CC(C)CCN1C[C@@]2(CCCN(c3cnccn3)C2)CCC1=O 77339452 FEMNUTKEJDJQCD-SFHVURJKSA-N 316.449 2.732 0 50 DFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(Cl)ccc2F)C1 379233721 TZSIZQMLHCNPTP-KWQFWETISA-N 324.705 2.973 0 50 DFAA O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 281713441 AZRLJZWNXOMNJO-UKRRQHHQSA-N 316.332 2.639 0 50 DFAA CO[C@@]1(C)CCCN(C(=O)NCc2cnc(C)cc2C)CC1 332291862 JGICFRGYUHXBGV-KRWDZBQOSA-N 305.422 2.799 0 50 DFAA Fc1ccc(O[C@@H]2CCN(Cc3cnc4cnccn34)C2)cc1 368164127 BURMRSOAJRSRPW-MRXNPFEDSA-N 312.348 2.522 0 50 DFAA OC[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1cccnc1 71746381 MXFMVFOSRMKRIC-GFCCVEGCSA-N 312.295 2.512 0 50 DFAA COCC1(N(C)C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72422838 ZJYKZZFLOAVKIH-UHFFFAOYSA-N 305.418 2.641 0 50 DFAA N[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccn3)cs2)C1 237908931 DLKMNOFFWIZBIT-WDEREUQCSA-N 302.403 2.661 0 50 DFAA CCCN1CCC(Cc2nn3c(C(C)C)nnc3s2)CC1 71762445 WIPQNCPYVJXPOA-UHFFFAOYSA-N 307.467 2.974 0 50 DFAA CC[C@H](c1ccccc1OC)N(C)C(=O)Cc1cn(C)nc1C 451788474 URLOZESJJMPDKJ-MRXNPFEDSA-N 315.417 2.889 0 50 DFAA C[C@@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[S@](=O)C1 242047817 VQIWKSKLQPIARW-WYRIXSBYSA-N 300.493 2.641 0 50 DFAA COC[C@H]1CCCCN1C(=O)c1cn(C)c2ccc(F)cc12 456947025 CCEZYSNQJNQKKG-CYBMUJFWSA-N 304.365 2.959 0 50 DFAA C[C@@H](N[C@H](c1nccn1C)C1CCOCC1)c1cncc(F)c1 284711479 KSCXGZRQDZQVCZ-WBMJQRKESA-N 318.396 2.773 0 50 DFAA C/C=C(\C)CN1CCC(c2nnc(CN(C)C)n2C2CC2)CC1 82136958 UGYONFPVSXPJAE-LHHJGKSTSA-N 317.481 2.820 0 50 DFAA COc1ccc(N(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1Cl 263365947 ZWQBLNOKPFRBKQ-ZJUUUORDSA-N 311.765 2.812 0 50 DFAA Cn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 82120371 JPKJHVMXADRKOD-ZDUSSCGKSA-N 319.355 2.647 0 50 DFAA CCc1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)oc1CC 178414594 JLLMYUAKNBMKDT-NSHDSACASA-N 312.373 2.938 0 50 DFAA O=C(NCCCc1ccccn1)c1ccc([C@H]2CCCNC2)cc1 95354335 QYWSGJXLZOLTSK-SFHVURJKSA-N 323.440 2.911 0 50 DFAA N#Cc1cc(I)c(N)c(C(F)(F)F)c1 147158632 OYQJGMPKFMIKHB-UHFFFAOYSA-N 312.032 2.764 0 50 DFAA CNC[C@H]1CCN(C(=O)CCCOc2ccccc2Cl)C1 179026829 AMQMPLGSPOIRAP-CYBMUJFWSA-N 310.825 2.567 0 50 DFAA CC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1nc(C)c(C)s1 92028396 LRNVQAKOHQHSTQ-GFCCVEGCSA-N 319.430 2.946 0 50 DFAA Cc1nc([C@H](C)N(C)Cc2cnn(CCC(=O)O)c2)c(C)s1 534581884 XMNXTBNOXMYTNK-JTQLQIEISA-N 322.434 2.624 0 50 DFAA CCCOc1cncc(NC(=O)[C@H](N)c2ccc(F)cc2F)c1 638585226 VYQKQPKITXRLQD-OAHLLOKOSA-N 321.327 2.787 0 50 DFAA CCCCc1nc(C)cc(NCCNC(=O)c2ccoc2C)n1 299789752 AKUKWBFUEZEQCF-UHFFFAOYSA-N 316.405 2.871 0 50 DFAA C[C@@H](CCn1cccn1)NCCOc1cccc2cccnc12 821181576 BSSLUGNWAZIWAY-HNNXBMFYSA-N 310.401 2.879 0 50 DFAA CCCOc1ccc(C(=O)N[C@H](C)c2nncn2C)cc1Cl 584890294 KFUNCBCIPSIBAV-SNVBAGLBSA-N 322.796 2.748 0 50 DFAA C[C@@H](C(=O)N1C[C@H]2CC=CC[C@H]2C1)c1nnc(O)c2ccccc12 952980629 QPWJEPCPTHEYQK-MCIONIFRSA-N 323.396 2.864 0 50 DFAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccc(Oc2ccccc2)o1 1565527005 AELHTWFZPMFOPL-KBPBESRZSA-N 317.341 2.606 0 50 DFAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(CC1CCC1)CC2 585090449 OIHYPWKIUVECHK-HNNXBMFYSA-N 319.401 2.878 0 50 DFAA CC(C)OC1CC(Nc2ccccc2CN2CCOCC2)C1 189487867 LAWWHRCKLMDCMY-UHFFFAOYSA-N 304.434 2.887 0 50 DFAA CCOC(=O)CCc1csc(-c2cnc3ccccn23)n1 190287919 GEJAINQKNIOCBM-UHFFFAOYSA-N 301.371 2.954 0 50 DFAA O=C(Cc1ccsc1)NC[C@@H]1CCCN(CC(F)(F)F)C1 646505166 ZWSHNDXLIXOUIP-LBPRGKRZSA-N 320.380 2.681 0 50 DFAA CCOCCO[C@H]1CCN(Cc2cnc(O)c3ccccc23)C1 1657889148 PPZYGWQBCJHQIH-HNNXBMFYSA-N 316.401 2.568 0 50 DFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)cc2)NC(=O)N1 432750 SDBFFACUSLCLKV-OAHLLOKOSA-N 302.374 2.966 0 50 DFAA C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(N)=O)c1 14557929 ZFNSEYGQPQMCLP-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA Cc1ccc(C)c(N2C[C@H](C(=O)NC3CCCC3)CC2=O)c1 15453253 SPALTCKPQJUANN-CQSZACIVSA-N 300.402 2.715 0 50 DFAA O=C(NC1CCCCC1)c1ccc(CN2CCOCC2)cc1 19761814 DYSMXLACOKDEDY-UHFFFAOYSA-N 302.418 2.581 0 50 DFAA O=C(NCCc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169297821 OLXZZHLNFZGPRY-NZBPQXDJSA-N 319.788 2.522 0 50 DFAA CCOc1ccc(S(=O)(=O)n2ccnc2)c2ccccc12 2475573 YRUDPGXGIZDMNP-UHFFFAOYSA-N 302.355 2.672 0 50 DFAA aggregator O=C1C[C@H]2N(Cc3cccc4ccccc34)CC[C@]23OCCCN13 1857737114 XXTYWVVNKIWKMD-QUCCMNQESA-N 322.408 2.763 0 50 DFAA CC[C@@H](C)OCc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 225597025 QBGYGQHBMKXIFO-OLZOCXBDSA-N 315.373 2.905 0 50 DFAA CCOc1cc(S(=O)(=O)n2ccnc2CC)c(C)cc1C 7425068 ZDRZIVWTMZPEOU-UHFFFAOYSA-N 308.403 2.698 0 50 DFAA O=C(O)c1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)o1 237967825 WFOUHKUDRQDRHQ-LBPRGKRZSA-N 307.346 2.542 0 50 DFAA C[C@@H](O)C[C@@H]1COCCN1c1ncc(C(F)(F)F)cc1Cl 129969001 HOPHQFLKQIQGIA-PSASIEDQSA-N 324.730 2.730 0 50 DFAA COc1ccc([C@H](CN(C)C)NCc2ccc3cn[nH]c3c2)cc1 242302113 YPPAAPWRENWCJV-IBGZPJMESA-N 324.428 2.964 0 50 DFAA NC(=O)c1cccc(CCNC(=O)[C@@H]2CCCc3ccccc32)c1 338684633 QPXVZJUCWJGFLR-GOSISDBHSA-N 322.408 2.564 0 50 DFAA Cc1c([C@@H]2CCCN2[C@H]2CCc3ccccc3NC2=O)cnn1C 253394462 VRNKJWKYKBEKAH-ROUUACIJSA-N 324.428 2.819 0 50 DFAA Cc1ccc2snc(C(=O)NC3CCC(C(=O)O)CC3)c2c1 901483624 SHZFONXBVIDQDB-UHFFFAOYSA-N 318.398 2.978 0 50 DFAA COCCCCN(C)C(=O)c1nc(-c2ccccc2)ns1 902947799 QVFSLAYDNVRRIF-UHFFFAOYSA-N 305.403 2.704 0 50 DFAA O=C(Nc1ccc(C(F)F)nc1)c1coc2c1C(=O)NCCC2 906027246 FIPIOLUIVVPZLE-UHFFFAOYSA-N 321.283 2.541 0 50 DFAA CCCc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc(O)n1 932795506 MWUSTXCIKIDOKI-HNNXBMFYSA-N 314.389 2.830 0 50 DFAA O=C(c1ccc(F)c2occc12)N1CCC(c2nc[nH]n2)CC1 934336694 BPLFZRSZLOIUFK-UHFFFAOYSA-N 314.320 2.710 0 50 DFAA CC1(C)Cc2n[nH]cc2CN(C(=O)[C@H]2CCCCCC[C@H]2N)C1 952892744 CAFCSCDPIOSFTK-LSDHHAIUSA-N 318.465 2.618 0 50 DFAA C[C@@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CC(=O)N3)CC1 1875264997 MQQUISHUWVCJLS-DOMZBBRYSA-N 315.417 2.949 0 50 DFAA COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)nc1 1875264073 SKZVQQGLQKCATD-UHFFFAOYSA-N 322.368 2.753 0 50 DFAA CSCc1cn(C2CN(C(=O)C3C[C@@H](C)C[C@H](C)C3)C2)nn1 1875323774 STDXFJYJQXEDIG-RYUDHWBXSA-N 322.478 2.597 0 50 DFAA Cc1cc(N2CC[C@@H](C3CC3)[C@H]2c2nc(O)n[nH]2)ncc1Cl 1875400161 SIHRCCKXRFSFCY-GWCFXTLKSA-N 319.796 2.845 0 50 DFAA CO[C@]1(c2nnc(C3(Oc4ccccc4F)CC3)o2)CCOC1 886085545 JPHBRRRFHMPHPU-MRXNPFEDSA-N 320.320 2.539 0 50 DFAA Cc1noc(C[C@H]2CCCN(C(=O)NCC3CCCC3)C2)n1 892022037 RYEJSSIPOTWLPT-CQSZACIVSA-N 306.410 2.532 0 50 DFAA COc1ccc(C2CC2)cc1CNC(=O)[C@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 1775960828 RKDCHSCHWPWEMA-WTTBNOFXSA-N 314.429 2.562 0 50 DFAA O=C(CCn1ccnc1)N1CCCC[C@H]1CC1(O)CCCCC1 899749777 ADXKTDQAFMFYEK-INIZCTEOSA-N 319.449 2.740 0 50 DFAA N[C@H]1CCCN(C(=O)NCc2cccc(Cl)c2Cl)C1 659641421 OMXNCCBEYIAATO-JTQLQIEISA-N 302.205 2.626 0 50 DFAA Cc1cncc(CCN[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 402798253 ODHRTCSSYCHMLD-OXJNMPFZSA-N 324.472 2.828 0 50 DFAA C[C@H](NC(=O)c1cccc2c1OCCNC2)[C@]12CCCC[C@H]1C2 2325768752 ILABAFZICOLCGQ-ZUEVXXBESA-N 314.429 2.867 0 50 DFAA C[C@]1(CO)C[C@@H](O)CN1Cc1cccc2cc(Cl)ccc12 2325793768 HHJVTOUOXKCMNA-NVXWUHKLSA-N 305.805 2.811 0 50 DFAA O=C1NCCc2c(NCc3ncoc3C(F)(F)F)cccc21 2325801389 FXTLZDFWGXZBOB-UHFFFAOYSA-N 311.263 2.591 0 50 DFAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)NCC1(O)CCC(C)CC1)C2 2325863825 YBJWPXZLTQQNBS-GOVJDZJHSA-N 320.408 2.528 0 50 DFAA Cc1c[nH]nc1CNC(=O)c1cncc(-c2ccc(F)cc2)c1 2325865224 SMBOLAPGONSOLY-UHFFFAOYSA-N 310.332 2.849 0 50 DFAA COc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1 35522 JPVHWAGAKDIJQI-UHFFFAOYSA-N 308.359 2.789 0 50 DFAA NC(=O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 265757 PUFOFCNHIWPPNN-UHFFFAOYSA-N 309.413 2.619 0 50 DFAA in-vitro CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)OCc1ccccc1 337436 TZNBTMCEMLXYEM-CYBMUJFWSA-N 319.357 2.656 0 50 DFAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 2990539 DQMZFUUBJHIFDB-KRWDZBQOSA-N 311.381 2.725 0 50 DFAA CC(C)Oc1nccn2c(-c3ccc(C(=O)N(C)C)cc3)cnc12 2356162395 JGOQEALZZAJIFO-UHFFFAOYSA-N 324.384 2.885 0 50 DFAA CNc1snc(C)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 245684762 IGECKOGMJHXMSZ-RAIGVLPGSA-N 321.446 2.571 0 50 DFAA CCn1nncc1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F 342511763 GUFXFWTUWDJGEH-NSHDSACASA-N 304.316 2.539 0 50 DFAA CCc1cc(NC(=O)c2cc3ccccc3c(OC)n2)n(C)n1 116080665 BWWSBCAWVKDFOF-UHFFFAOYSA-N 310.357 2.792 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)O)C1 134971809 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CC(C)[C@H]1OCC[C@@H]1CN[C@H](C)CC(=O)N1CCCCCC1 328629346 ORXHOZMOUDQSHY-JFIYKMOQSA-N 310.482 2.818 0 50 DFAA Cc1nnc(CC(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)o1 329080035 CITMXGIAMYVGCV-NXEZZACHSA-N 303.337 2.594 0 50 DFAA O=C(NC1(c2ccccc2F)CC1)c1cccc2[nH]c(=O)oc12 152906731 ZJVRGXVXTVOTHC-UHFFFAOYSA-N 312.300 2.679 0 50 DFAA Cc1cccn2c(-c3ncc[nH]3)c(C(=O)N3CCCCC3)nc12 71774504 QHMJWQYQYOHYHT-UHFFFAOYSA-N 309.373 2.659 0 50 DFAA C[C@](O)(CN1CCC(c2ccccc2CO)CC1)C(F)(F)F 375625029 MPYAJBHZIHMILB-HNNXBMFYSA-N 317.351 2.672 0 50 DFAA CCO[C@@H](C)C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 241262020 LAPWXYVSKIVXDJ-NSHDSACASA-N 317.414 2.982 0 50 DFAA Oc1nc(N2CCOc3cccc(F)c3C2)nc2ccccc12 376757851 JPZPFXBDPHDVRD-UHFFFAOYSA-N 311.316 2.874 0 50 DFAA CCC(CC)n1nccc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 236733590 UUUPUZSUQZIBBY-ZDUSSCGKSA-N 321.421 2.961 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)/C=C/c1cccc2cccnc12 237436857 WYHDUBUENMYDQH-AQSRPURJSA-N 309.413 2.976 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](C(=O)O)C3)oc12 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O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ncoc1C1CC1 244708262 KQHQDBKQNNABQV-ZNMIVQPWSA-N 312.369 2.794 0 50 DFAA CCn1nc(C)c(NC(=O)c2cc(O)nc(C(C)C)c2)c1C 181468890 BLCXRFBUAMQPNE-UHFFFAOYSA-N 302.378 2.996 0 50 DFAA CC(C)n1cnnc1CN(C)Cc1cc(-c2ccncc2)no1 244763839 OWIIRAZBPJCTEQ-UHFFFAOYSA-N 312.377 2.541 0 50 DFAA CC(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 296089943 WNLBBGUFIGTRMQ-UHFFFAOYSA-N 303.362 2.512 0 50 DFAA O=C(Nc1ccncc1F)N[C@@H]1CCN(c2ccccc2F)C1 297872172 VBUKUGPQWXDLKP-LLVKDONJSA-N 318.327 2.760 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 299739795 RKVKBYXIDCHTCL-NSHDSACASA-N 319.792 2.677 0 50 DFAA CC1=NO[C@@](C)(C(=O)NCC2(COc3ccccc3)CC2)C1 534669315 YOODJEIMLUBTGD-MRXNPFEDSA-N 302.374 2.517 0 50 DFAA CC(C)CCN1C(=O)N[C@H](c2ccccc2)C2=C1COC2=O 263617995 QUVDJASCWHQXGO-OAHLLOKOSA-N 300.358 2.610 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)Nc1cccc(C(N)=O)c1 299782195 MTYWXXXIHGHEGD-OAHLLOKOSA-N 319.405 2.599 0 50 DFAA CSc1ccc2c(c1)CCN(C(=O)[C@@H](C)Cn1cccn1)C2 299770775 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COc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](OC)C2)cc1F 187235342 KSHBIXOLPMCRPK-BFQNTYOBSA-N 324.396 2.962 0 50 DFAA O=C([C@@H]1[C@H]2CNC[C@H]21)N(Cc1ccccc1Cl)CC1CC1 638446553 XWECBMLZVRIZIV-FOLVSLTJSA-N 304.821 2.544 0 50 DFAA COc1cccnc1C(=O)N1CCO[C@@H](c2ccccc2)CC1 1615616026 USRKQHKFYNLKSU-OAHLLOKOSA-N 312.369 2.694 0 50 DFAA CC1(C)C[C@@]1(NC(=O)NC[C@@H]1CCN1C1CC1)c1ccccc1 1616044702 WLRJWCSBSWRQLS-QFBILLFUSA-N 313.445 2.848 0 50 DFAA CCCC[C@H]1C=CCN1C(=O)c1coc(CN2CCOCC2)c1 1506426666 UHZKEIMGKZXZPD-INIZCTEOSA-N 318.417 2.683 0 50 DFAA CCn1cc([C@H](C)NC(=O)Nc2ccc3c(c2)OCO3)c(C)n1 609801 OTERZMKKKLMZOX-JTQLQIEISA-N 316.361 2.823 0 50 DFAA Cc1ccc(CN2CCCN(C(=O)c3c(C)noc3C)CC2)o1 1529145067 ALYNPKGTZQAIIA-UHFFFAOYSA-N 317.389 2.541 0 50 DFAA COCCN1CC[C@@H](CN(C)c2ncc(Cl)cc2Cl)C1 1704312469 CKSRQODRJVZPQR-NSHDSACASA-N 318.248 2.793 0 50 DFAA O=C1C[C@H](N2CCCCCC2)C(=O)N1c1cccc(Cl)c1 19293451 VDHINAIMFCHRSR-AWEZNQCLSA-N 306.793 2.848 0 50 DFAA CN(Cc1cnccn1)C(=O)C1(N2CCCCC2)CCCCC1 19838067 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COc1ncc(Cl)c(N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)n1 952890674 GFXGBEVERXECEO-ZJUUUORDSA-N 323.784 2.653 0 50 DFAA CSc1ccc(=NCc2cc(C)nc(N3CCCC3)c2)[nH]n1 1875260453 MMFCQZQGBACQBW-UHFFFAOYSA-N 315.446 2.536 0 50 DFAA Cc1c(C(=O)N[C@H]2CCC23CCCCC3)nn2c1OCCC2 1875265643 QXXJXERLWRBIPP-ZDUSSCGKSA-N 303.406 2.817 0 50 DFAA CCc1noc(C)c1NC(=O)C12C[C@H]3C[C@@H](CC(N)(C3)C1)C2 1875277140 LMPNYRXQRQWPRO-VDQHWBOFSA-N 303.406 2.782 0 50 DFAA CC1(C)CC(C(=O)N2[C@H](c3ccccc3)CCS2(=O)=O)C1 1875319601 JXVCIIXTQDKBBW-AWEZNQCLSA-N 307.415 2.726 0 50 DFAA CON(C)C1CCN(C(=O)/C(C)=C/c2ccc(C)cc2)CC1 1775999989 NIGSVHDMNRDKCF-FYWRMAATSA-N 302.418 2.883 0 50 DFAA COc1ccc(-n2cc(CN[C@H]3CCCc4n[nH]cc43)cn2)cc1 2325805887 BMEFBAYUQPYREM-KRWDZBQOSA-N 323.400 2.771 0 50 DFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1 38036 WBYUZZRDMHZMNN-UHFFFAOYSA-N 300.333 2.915 0 50 DFAA CCOC(=O)N1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 317842 DZGUHTNSUBQDPQ-UHFFFAOYSA-N 310.781 2.563 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 1233421 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COc1ccc2c(c1OC)C(=O)N1CC[C@]3(O)CCCC[C@H]3[C@H]21 22339374 BNCNIDBYGPZZEJ-XLWVJDPXSA-N 317.385 2.526 0 50 DFAA Cc1n[nH]c(C)c1CNC[C@@H]1C[C@H](F)CN1Cc1cccs1 346599731 ANVXKLSDYWDSIG-KBPBESRZSA-N 322.453 2.790 0 50 DFAA O=C1C[C@H](c2ccc(F)cc2O)c2cc3c(cc2N1)OCO3 65370654 VVIGYYQXZAPGLL-SNVBAGLBSA-N 301.273 2.734 0 50 DFAA CCNc1ccnc(N2CCC[C@H](c3nc(C(C)C)no3)C2)n1 65508369 CXMSIVFGNMJSHL-LBPRGKRZSA-N 316.409 2.799 0 50 DFAA COc1ccccc1NC(=O)[C@H](C)NC(=O)c1cccs1 20400049 LIOZEMBRMZROEI-JTQLQIEISA-N 304.371 2.514 0 50 DFAA CC1CCN(C[C@@H](O)CN2CCCc3ccccc3C2)CC1 171632072 WOXGIFUZWMFISR-LJQANCHMSA-N 302.462 2.528 0 50 DFAA CCCCO[C@@H]1C[C@@H](NCC(=O)N2CCCCCC2)C1(C)C 253431924 YNWQUIGVDQTAPG-HZPDHXFCSA-N 310.482 2.962 0 50 DFAA COc1ccccc1/C=C/CN1CCS[C@H]2COCC[C@H]21 230205125 WDNMSOWQUOFRBF-UXILZDJPSA-N 305.443 2.915 0 50 DFAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccnn3)[nH]c2c1 77503964 ZSIBZIBXRKUEEH-OAHLLOKOSA-N 307.357 2.639 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 122312900 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CC(C)n1nccc1NC(=O)[C@H](O)c1ccc(Cl)cc1F 291416701 HFLZYTKONVTCIC-CYBMUJFWSA-N 311.744 2.929 0 50 DFAA CCOC(=O)[C@H](Br)C(=O)c1ccc(Cl)cc1 141405246 VUXGSOOHZPQFNN-SECBINFHSA-N 305.555 2.849 0 50 DFAA Cc1noc(CCCC(=O)N(C)Cc2cccc(C)c2C)n1 292480665 QKYWBVBYLNCGFF-UHFFFAOYSA-N 301.390 2.976 0 50 DFAA COC[C@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 221179990 YYMGZHXZCZLCKX-LBPRGKRZSA-N 301.308 2.743 0 50 DFAA OC[C@H]1CN(Cc2nc(-c3ccsc3)no2)c2ccccc21 292622556 HYTFFRHTNRUHPP-GFCCVEGCSA-N 313.382 2.894 0 50 DFAA Cc1noc([C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91493841 WJJCZVCXOATNTA-CYBMUJFWSA-N 319.792 2.980 0 50 DFAA COCC[C@]1(O)CCN(C/C=C/c2ccc(F)cc2)C[C@H]1C 91908047 BEINQGGNYFWRRE-UIXCXIJASA-N 307.409 2.948 0 50 DFAA Cc1cnccc1NCCNc1nccc(-c2ccccn2)n1 96167094 LJMKYUFBWHHLLG-UHFFFAOYSA-N 306.373 2.766 0 50 DFAA CNCCNC(=O)c1ccc(-c2ccc(C(C)=O)s2)cc1 426501730 HDNKISTVUUKCDP-UHFFFAOYSA-N 302.399 2.567 0 50 DFAA Cc1ccc(-c2cc(CN3CCC[C@@H](C(=O)O)C3)on2)cc1 237710837 PIOMRXNSQLDRKD-CQSZACIVSA-N 300.358 2.947 0 50 DFAA Cc1cnc(NCCSCc2ccc(CN(C)C)o2)nc1 95371251 PIVRMVVDOIGTLO-UHFFFAOYSA-N 306.435 2.785 0 50 DFAA Cc1cccc2[nH]c(C3CCN(c4cc(N)ncn4)CC3)nc12 96132230 WJNAHMMKFFEPJT-UHFFFAOYSA-N 308.389 2.628 0 50 DFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCOc2ccccc21 299553000 HBPFLNCQVQYXCF-JSGCOSHPSA-N 318.417 2.567 0 50 DFAA Cc1cc(C)n2[nH]c(=NC(=O)c3cccc4ncsc34)cc2n1 1940196114 LMDUVFNSXRYJOI-UHFFFAOYSA-N 323.381 2.630 0 50 DFAA CC[C@H](C)C(=O)Nc1cccc(C(=O)N(C)CC2(C)COC2)c1 822559342 MDLWECKDHBMASR-ZDUSSCGKSA-N 318.417 2.780 0 50 DFAA CCCc1nc(C)c(CNC(=O)Cc2c(C)noc2C)s1 823023314 FHCUYNJLMGLPTM-UHFFFAOYSA-N 307.419 2.868 0 50 DFAA CC(C)(C)c1cc(-c2ccc(F)cc2F)nc(CC(N)=O)n1 826842409 REDKIMMGNFLTMG-UHFFFAOYSA-N 305.328 2.747 0 50 DFAA COc1cc(Cl)c(CN(C)CC(C)(C)CO)c(OC)c1 670448485 OZMHHAYYFAGGDG-UHFFFAOYSA-N 301.814 2.808 0 50 DFAA CC[C@@H](c1ccnn1C)n1cnc2sc(C)c(C)c2c1=O 584885429 BJDNUTNSTOVBOU-NSHDSACASA-N 302.403 2.808 0 50 DFAA O=C(CCCn1cncn1)NCc1ccc2sccc2c1 670441097 CUAHAPNRFSQXOW-UHFFFAOYSA-N 300.387 2.589 0 50 DFAA CC[C@@]1(O)CCCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)C1 952868382 MJWUIWXXQQKNKX-GOSISDBHSA-N 310.482 2.697 0 50 DFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1C[C@H]2C=C[C@@H]1C2 1565512995 LGJBLLLRJXIGLI-BJJXKVORSA-N 309.369 2.907 0 50 DFAA Clc1cnc2c(Br)nc(Br)cn12 95707260 KKCWGKVPPONVCP-UHFFFAOYSA-N 311.364 2.908 0 50 DFAA in-vitro Cc1cc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)c(C)o1 275301274 HQTKDTDJIFJAMN-CYBMUJFWSA-N 319.361 2.617 0 50 DFAA CCC1(S(=O)(=O)NC(=O)c2csc3c2CCCC3)CC1 408493165 LKRZNTQNSVCHDR-UHFFFAOYSA-N 313.444 2.629 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cscc2C)cn1 276112168 XOZDCMJKAOPTAO-GXTWGEPZSA-N 305.403 2.989 0 50 DFAA CC(C)(C)c1cc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)no1 278517077 FXLXULFZGUIKJQ-INIZCTEOSA-N 317.345 2.532 0 50 DFAA O=C(COc1cccc2c1OCCO2)NCC1CCCCC1 185800691 OEHQNGPFIOSUPE-UHFFFAOYSA-N 305.374 2.533 0 50 DFAA O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N[C@H]1CC[C@@H](CO)CC1 585087200 NLHPDWJGUZPLFG-RPVQJOFSSA-N 317.429 2.943 0 50 DFAA CCOC(=O)c1coc(N(C)C(=O)Cc2ccc(C)c(C)c2)n1 585125166 IZFCDIBAAVSMGU-UHFFFAOYSA-N 316.357 2.674 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCOc2ccccc2[C@@H]1C 585113978 REKGDCCBNDSCAM-SOUVJXGZSA-N 319.401 2.553 0 50 DFAA CC/C=C(\C)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 194416131 HXYGXDVILUDKGV-KBHCHJSJSA-N 316.445 2.880 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 195551048 NIIUFRAOAAKVMG-SUNKGSAMSA-N 309.312 2.534 0 50 DFAA COCc1cc(N[C@H]2CCCc3cn(C(C)C)nc32)ncn1 782150741 UXBDLYIJXGPNPR-AWEZNQCLSA-N 301.394 2.890 0 50 DFAA Fc1cccnc1NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 1616026351 NGEWEEMPLPVLBC-QMMMGPOBSA-N 315.274 2.549 0 50 DFAA Cc1ccccc1[C@H]1CN(Cc2nccs2)C[C@@H]1C(=O)O 213113813 HIQKDUCFSIJLDQ-KGLIPLIRSA-N 302.399 2.752 0 50 DFAA CCc1nn(C)c(NC(=O)COc2cccc(Cl)c2)c1C 1529168848 NYCNWMBYWUNBMZ-UHFFFAOYSA-N 307.781 2.962 0 50 DFAA O=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1 367791 SXHPFOIWRQZUAZ-UHFFFAOYSA-N 321.336 2.857 0 50 DFAA O=C(CSc1nnc(-c2ccccc2)o1)Nc1nccs1 428191 AQYVGUXXSWXBLC-UHFFFAOYSA-N 318.383 2.924 0 50 DFAA Cc1[nH]c(N)nc1C(=O)N[C@H](CC(C)(C)C)c1cccnc1 1772805703 PUXDYCSWEDIZQJ-GFCCVEGCSA-N 301.394 2.603 0 50 DFAA C/C=C(\C)CN1C[C@@H]2C[C@H]1C(=O)N2c1cc(C)ccc1OC 12452078 ZWRNSCNSOQECHU-POTHROJFSA-N 300.402 2.759 0 50 DFAA CNS(=O)(=O)c1ccc(NC(=O)c2csc(C)c2C)cc1 16580682 DVYZWEPVCVDYOY-UHFFFAOYSA-N 324.427 2.525 0 50 DFAA Cc1cc(C)n([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)n1 2842504 UHXFPXLQLHYWGL-ZDUSSCGKSA-N 303.749 2.658 0 50 DFAA Cc1ccccc1NC(=O)Nc1cc(S(N)(=O)=O)ccc1C 4866618 VQGKDBDVDVDDLR-UHFFFAOYSA-N 319.386 2.595 0 50 DFAA CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c(C)c1C 6743319 OVJAMRQALOHYSF-UHFFFAOYSA-N 308.403 2.752 0 50 DFAA O=C(O)Cc1cccc(NC(=O)c2ccnn2CC2CCC2)c1 630144822 RHVAJGAGMPXFLA-UHFFFAOYSA-N 313.357 2.563 0 50 DFAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCC(OCC2CCCC2)CC1 237818439 BANNMUVSVITTTN-UOVPBQLFSA-N 320.477 2.558 0 50 DFAA O[C@@H]1CCCN(c2ccnc(-c3cnc4cccc(F)c4c3)n2)C1 1875249448 UAVJAVMCMBEXIE-CYBMUJFWSA-N 324.359 2.792 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2F)[C@H]2C=C[C@H]1C2 101100637 LMJMKTJBFNFKMO-NIUASQORSA-N 311.259 2.565 0 50 DFAA O=C(N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1)C12CC(C1)C2 625046146 USYSIXQXFZJHKW-UHFFFAOYSA-N 322.412 2.978 0 50 DFAA Cc1cc2c(=O)n(C[C@H](O)CC3CCCC3)cnc2cc1F 240534541 GOJZGKDJLOVPBN-CYBMUJFWSA-N 304.365 2.785 0 50 DFAA C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCN(C)C(=O)C2)C1 247234609 XGSILRBHLUTENE-IVMMDQJWSA-N 318.392 2.604 0 50 DFAA CCN(C)c1ccc(CNCc2cccc(NC(C)=O)c2)cn1 252506283 VYIZIJISNJXOQD-UHFFFAOYSA-N 312.417 2.786 0 50 DFAA Cc1cc(C)cc([C@@H](NC(=O)Cc2ccsc2)C(=O)O)c1 262975097 IZZWFNYSAADNHU-OAHLLOKOSA-N 303.383 2.850 0 50 DFAA Cc1nc(CCN2CCOc3ccccc3[C@@H]2C(=O)O)cs1 903928959 SXALVMVWVFINAC-OAHLLOKOSA-N 318.398 2.514 0 50 DFAA O=C1NC[C@H](C2CCCCCC2)C(=O)N1CCc1cccnc1 1875278908 VKHCQACQRJFLMA-MRXNPFEDSA-N 315.417 2.763 0 50 DFAA CC1(C)CCC[C@@H]1OC(=O)[C@@H]1CCCN(c2cc(O)ncn2)C1 1875305648 WKYNOCIQUTVZRK-OLZOCXBDSA-N 319.405 2.521 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(F)cc2Cl)C1 888077727 RCPMRSOOJDYLDW-ZWNOBZJWSA-N 323.755 2.804 0 50 DFAA C1CCC(N2CCC(NC3CSCCSC3)CC2)C1 534591366 VTJXPYQNAGYSAJ-UHFFFAOYSA-N 300.537 2.832 0 50 DFAA c1ccc(Cn2ccc(CN3CC[C@H](n4cccn4)C3)n2)cc1 2325778487 ACKJZUWOKDGTLS-SFHVURJKSA-N 307.401 2.575 0 50 DFAA CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CCCC2 61424 WREGCOFTEZTKMB-NSHDSACASA-N 323.414 2.921 0 50 DFAA Cc1nc2sc(-c3ccccc3)nn2c(=O)c1Br 293539 GUGVCERVYNWYFX-UHFFFAOYSA-N 322.187 2.889 0 50 DFAA Cc1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)O 1919899 DTCXTTJRDSLBBR-UHFFFAOYSA-O 322.431 2.928 0 50 DFAA CCCOC(=O)NCCOC(=O)N(O)c1ccc(Cl)cc1 3900037 FIIAYSXRMXCSNF-UHFFFAOYSA-N 316.741 2.808 0 50 DFAA N[C@@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O 4240984 NMTMNIDBMOGRKI-QMMMGPOBSA-N 301.186 2.679 0 50 DFAA CCn1c(C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 4736015 IQUIEMODUFWICQ-UHFFFAOYSA-N 304.419 2.954 0 50 DFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 6726611 ADYXVQVLTHLZKR-JMZCLIQJSA-N 305.418 2.818 0 50 DFAA O=C(COCc1cc(-c2ccco2)on1)NCc1ccccc1 6876610 NUJBSIPNPFOWKV-UHFFFAOYSA-N 312.325 2.768 0 50 DFAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1ncn[nH]1 55108434 FRHLVWCFAOMWQS-UHFFFAOYSA-N 314.374 2.548 0 50 DFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 21719638 VPSJECPJLMNUOW-CYBMUJFWSA-N 310.350 2.648 0 50 DFAA O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1C[C@H]2CC[C@H]1C2 102508421 AZEXINWPCBZKCN-FZMZJTMJSA-N 315.348 2.752 0 50 DFAA Cc1c(C(=O)N2CCOC[C@@H]2c2cccn2C)ccn1C(C)C 346783270 YUFSOHRXJVPVKG-QGZVFWFLSA-N 315.417 2.930 0 50 DFAA COc1cc(OC)c2nc(N3CCC[C@@H](CO)C3)cc(C)c2c1 23634525 OEUSHSUAJQNHMB-CYBMUJFWSA-N 316.401 2.769 0 50 DFAA Cc1nn(CN2CCO[C@@H]3CCCC[C@H]32)c(=S)n1C1CC1 230195681 IWRLPDWYTFCEIT-ZIAGYGMSSA-N 308.451 2.658 0 50 DFAA Cc1ccc(=N)n(Cc2ccc(Cn3cc(C)ccc3=N)cc2)c1 409415881 BYDFUXOYWDFMPC-UHFFFAOYSA-N 318.424 2.962 0 50 DFAA c1ccc(CN2CCN(CCn3ccnc3C3CC3)CC2)cc1 72447201 NCVINSHQIZNVCS-UHFFFAOYSA-N 310.445 2.578 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(C)cn2)cn1 328639471 PNZBDMXGQPISHH-WBVHZDCISA-N 313.405 2.556 0 50 DFAA CN(C)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 11711968 OOUYNDNKVVOEID-GOSISDBHSA-N 320.477 2.752 0 50 DFAA COc1c(F)cccc1CN1CCC2(CCC(=O)N(C)C2)CC1 215803785 FUPXTWYEGMNJNZ-UHFFFAOYSA-N 320.408 2.669 0 50 DFAA CCc1nnc(CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)o1 154060681 ABCGOFCXCQHFLE-OAHLLOKOSA-N 317.389 2.805 0 50 DFAA Cc1noc(C)c1CCCN[C@H]1CCOC2(CCOCC2)C1 77375811 VKIQAXQZSWSZOS-HNNXBMFYSA-N 308.422 2.542 0 50 DFAA Brc1ccc(-c2nc(Cn3ccnn3)co2)cc1 128020379 VVMRXFIPRUKWDX-UHFFFAOYSA-N 305.135 2.744 0 50 DFAA CCc1ccccc1OCC(=O)N1CCC[C@@H](CCC(=O)O)C1 237032804 TXMSVGHBFGWNMM-AWEZNQCLSA-N 319.401 2.731 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)c2nc3cccnc3s2)no1 373152883 RJPORIDABNQQCD-LBPRGKRZSA-N 314.370 2.965 0 50 DFAA COc1ccc(Cc2noc([C@@H]3OCC[C@H]3C)n2)cc1OC 128747048 BGDWYHNIAYTJOI-MEBBXXQBSA-N 304.346 2.775 0 50 DFAA Cc1c[nH]c(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)n1 72481280 ZRSFJGMAHLFSHT-UHFFFAOYSA-N 315.417 2.694 0 50 DFAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1cnc2ccccc2n1 220704864 CDXXVVWSZPRWNG-ZDUSSCGKSA-N 311.385 2.851 0 50 DFAA Nc1cc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n[nH]1 225590312 LAQMFMWPNYVOQA-UHFFFAOYSA-N 311.311 2.790 0 50 DFAA CC[C@H](C(=O)O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 263559198 ASMLKDRZRUUIBX-ZIAGYGMSSA-N 314.389 2.514 0 50 DFAA Cc1nc(C(=O)N2CCN(c3cccc(F)c3F)CC2)c(C)o1 292901787 BTFSFIRCYYQJQR-UHFFFAOYSA-N 321.327 2.532 0 50 DFAA CN(Cc1ccc2nonc2c1)c1nccc(-c2ccccn2)n1 96141915 FBCHAQNDOSTPBS-UHFFFAOYSA-N 318.340 2.711 0 50 DFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(c2ncc[nH]2)CC1 96136761 LELNZKUMYYJPCI-UHFFFAOYSA-N 321.384 2.820 0 50 DFAA CCCSCC(=O)N1CCC[C@@H](OCc2ccccn2)C1 91746745 NMABKCQOJWNRGK-OAHLLOKOSA-N 308.447 2.732 0 50 DFAA COc1cc2c(cc1CN1CC(N3CCCCC3)C1)CCC2 97609968 DPONHGSXPLGYDZ-UHFFFAOYSA-N 300.446 2.854 0 50 DFAA O=C(NCCSc1ccccn1)c1ccc(-c2cc[nH]n2)cc1 91493488 GCHAYCBGXWOPKN-UHFFFAOYSA-N 324.409 2.994 0 50 DFAA O=C(O)Cn1nc(-c2ccco2)nc1[C@@H]1CCc2ccccc21 97217684 ADKNPZVNNNWNBE-CYBMUJFWSA-N 309.325 2.701 0 50 DFAA CN(Cc1noc2c1CCCC2)C(=O)c1cn2ccsc2n1 91493474 UUHGDSRIEXJJIS-UHFFFAOYSA-N 316.386 2.535 0 50 DFAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@@H](CO)c1ccc(Cl)cc1 299032894 RVMJZMMNTXZHPA-ZWUHOBOKSA-N 324.852 2.751 0 50 DFAA Cc1nn(C)cc1CN1CCC2(CC1)OCCc1ccsc12 353154721 UJXGZMPXPRBXBZ-UHFFFAOYSA-N 317.458 2.854 0 50 DFAA CCc1cc(N2CC[C@@](C(=O)O)(c3ccccc3)C2)nc(C)n1 534646035 BWWGXCSXMGEZSO-SFHVURJKSA-N 311.385 2.580 0 50 DFAA COCC1(CNS(=O)(=O)c2cc(C)cs2)CCCC1 452055144 SWHUKYFAHVECDD-UHFFFAOYSA-N 303.449 2.542 0 50 DFAA O=S(=O)(CC1CCCC1)NCc1cnc2ccccc2c1 828387803 WEOILBUJULRAGF-UHFFFAOYSA-N 304.415 2.844 0 50 DFAA Cc1cccc([C@@H](NC(=O)CCCN2CCCC2)C2CC2)n1 584899303 DOEWATFVXWVQPX-SFHVURJKSA-N 301.434 2.833 0 50 DFAA O=C(c1ccc(-c2cnc3nncn3c2)cc1)N1CCCCCC1 584887754 GNAVBRISROEVGD-UHFFFAOYSA-N 321.384 2.808 0 50 DFAA CN1CC[C@H](NC(=O)N(C)CCCSc2ccccc2)C1 584894297 IUCQAKVPDFAOCB-AWEZNQCLSA-N 307.463 2.514 0 50 DFAA Cc1cccc(Cn2ncnc2CN(C)Cc2cccnc2)c1 670462272 KWQHZVCUKGSGCU-UHFFFAOYSA-N 307.401 2.662 0 50 DFAA NC(=O)CCc1ccc(Nc2nc3ccccc3nc2F)cc1 1458160201 DZXRCKQDSFQYGY-UHFFFAOYSA-N 310.332 2.930 0 50 DFAA Cc1ccc([C@@H](C(=O)N2CC(c3ccncc3)C2)N(C)C)cc1 952984418 LAIZFSMEDGEZGU-SFHVURJKSA-N 309.413 2.619 0 50 DFAA O=C1CC[C@@H](c2nc(-c3ccco3)nn2CCc2ccccc2)N1 952869957 RBCSERGAMGYVQR-AWEZNQCLSA-N 322.368 2.732 0 50 DFAA C[C@H](C(=O)NCC1CCCCC1)N1CCOCC2(CCC2)C1 170595231 BZVPLPMXNUEAIJ-OAHLLOKOSA-N 308.466 2.574 0 50 DFAA Cc1nnc(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)s1 185926918 LHJJWOUJJGYLJG-HNNXBMFYSA-N 316.386 2.510 0 50 DFAA O=C(Cn1ccc2ccc(Cl)cc21)N[C@@H]1CCCC[C@H]1O 187126325 DYSCWGMRAASRSV-UKRRQHHQSA-N 306.793 2.714 0 50 DFAA CC(C)N(C)C(=O)C1(C(=O)Nc2nc3ccsc3s2)CC1 585089436 MXLXTMNVIHGTLK-UHFFFAOYSA-N 323.443 2.943 0 50 DFAA Cc1cc(NC(=O)CCc2nnc[nH]2)ccc1Oc1ccncc1 192587641 YTOCJHYQBJJAMS-UHFFFAOYSA-N 323.356 2.872 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)C[C@H]2CCCCO2)cc1)C(=O)O 192918096 VIVPLHJTCOKBTE-SWLSCSKDSA-N 305.374 2.848 0 50 DFAA O=C(c1nc2ccccc2nc1C1CC1)N1CC[C@@]2(CCOC2)C1 649168071 HBCPOPWGTIVBNZ-LJQANCHMSA-N 323.396 2.760 0 50 DFAA COc1cc(O)ncc1C(=O)N1CCC[C@@H]1C1CCCCC1 1615002461 FHEFWQHBLPNTDB-CQSZACIVSA-N 304.390 2.981 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC[C@H](C)O 1775994378 DECFOBOPWZEUFC-RRFJBIMHSA-N 314.470 2.629 0 50 DFAA CN(C)c1nccnc1NCCCc1nc2ccc(F)cc2[nH]1 1506424777 CBFXRPRXYXLDAQ-UHFFFAOYSA-N 314.368 2.603 0 50 DFAA Cc1ccc(CN(CCCO)C(=O)c2ccc(O)cc2F)cc1 1506400830 YLARRHAHQDPOEP-UHFFFAOYSA-N 317.360 2.865 0 50 DFAA C[C@H](CNc1noc(-c2ccccc2)c1C(=O)O)CN(C)C 1704325367 KTGWOYOJJRRFHX-LLVKDONJSA-N 303.362 2.649 0 50 DFAA COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1 471203 VWWCYLFQRDHEIT-UHFFFAOYSA-N 313.353 2.896 0 50 DFAA COc1ccc([C@H]2COc3cc(OC)c(O)cc3C2)c(O)c1 1772820228 KNJKQRABLUKYBC-LLVKDONJSA-N 302.326 2.834 0 50 DFAA c1ccc(NCCc2nnc3n2Cc2ccccc2OC3)cc1 1772812504 MEIGSAHUMOQHNG-UHFFFAOYSA-N 306.369 2.873 0 50 DFAA COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(Cl)ccc1OC 5908342 NIDGUNJKXGOCLB-GFCCVEGCSA-N 313.781 2.666 0 50 DFAA CC(C)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 12382625 ROSUJTCNTDRWNB-UHFFFAOYSA-N 313.382 2.561 0 50 DFAA Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)c1 12458406 VIRNANUORWYZNF-MRXNPFEDSA-N 314.429 2.792 0 50 DFAA CN(C(=O)c1ccccc1Br)[C@@H]1CCCC[C@@H]1O 16625167 SWJKGITVNAVWEY-OLZOCXBDSA-N 312.207 2.825 0 50 DFAA Cc1cc(C)c(NC(=O)[C@@H]2CCCN2CCN(C)C)c(C)c1 19535731 KNWPCXOEALRLGM-INIZCTEOSA-N 303.450 2.576 0 50 DFAA CCOc1cccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1 6702688 LZKYAMRTXLECCB-UHFFFAOYSA-N 301.298 2.741 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4ccccc4C3)n[nH]c21 1857529253 CGPPXJUPUVSZKU-NEPJUHHUSA-N 311.385 2.630 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@@]2(C)C1 1857689621 ICAHSXXNEUOYLC-KXBFYZLASA-N 309.413 2.900 0 50 DFAA CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 305175407 GCLVPRUCISJMCH-INIZCTEOSA-N 319.426 2.764 0 50 DFAA CC1(C)[C@H](NC(=O)C2(c3cccc(F)c3)CC2)[C@@H]2CCO[C@H]21 230095332 IICHZBYEHOTYAX-RRFJBIMHSA-N 303.377 2.787 0 50 DFAA COc1ccc(-c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)cc1OC 331704080 XNYKMKDKDYYMFE-AAEUAGOBSA-N 317.389 2.952 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[C@H](N)C1 237148484 ZBNUEVXGENDSNK-PWSUYJOCSA-N 300.324 2.791 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@H]1c2ccccc2CC[C@H]1C 241644735 PSZJDLQGVPOBKT-MHRLRVJTSA-N 314.429 2.589 0 50 DFAA C[C@H](C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)n1cncn1 252497918 IGBIXOVEAXDPAO-CDMKHQONSA-N 324.306 2.530 0 50 DFAA Cc1cn2c(CNC[C@@H]3CCc4nccn4C3)c(C)nc2s1 681915390 HBXPXPCBKZTXSH-ZDUSSCGKSA-N 315.446 2.561 0 50 DFAA O=C(O)C1CCN(C(=O)C[C@H]2CCc3ccccc3C2)CC1 262429109 MECFAJYKKHWXLT-ZDUSSCGKSA-N 301.386 2.505 0 50 DFAA C[C@H]1CCCCN1C(=O)CN1CCCC[C@@H]1c1cccn1C 266932771 NBKQFUZNCKOFAE-DOTOQJQBSA-N 303.450 2.953 0 50 DFAA O=C(O)CC[C@@H]1Cc2ccccc2N(C(=O)c2ccccn2)C1 902825344 LKTZFVWAXAQBRO-CYBMUJFWSA-N 310.353 2.766 0 50 DFAA O=C(O)[C@H](CNc1nc2c(F)cccc2o1)C1CCOCC1 863735666 FJTVEUPHWOUXOP-SNVBAGLBSA-N 308.309 2.506 0 50 DFAA C[C@H]1CCc2c(sc3nc(-c4ccc(O)nn4)nc(O)c23)C1 864091147 NKYHDLBELOCDLM-ZETCQYMHSA-N 314.370 2.684 0 50 DFAA CCOc1ccc2cc(S(=O)(=O)n3ccc(C)n3)ccc2c1 1776004398 REXWPDGHRMDNFO-UHFFFAOYSA-N 316.382 2.980 0 50 DFAA Cc1ccc(S(=O)(=O)CCc2nc3ccccc3[nH]2)cc1 52466 VMWOAYLOEIHWAT-UHFFFAOYSA-N 300.383 2.888 0 50 DFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccs1 139802 GMAQKLINZIKMJN-UHFFFAOYSA-N 321.354 2.804 0 50 DFAA CN(Cc1ccccc1-n1cccc1)C(=O)C1(C(=O)O)CC=CC1 2325769475 HVPJHYFHUPHLFH-UHFFFAOYSA-N 324.380 2.857 0 50 DFAA CN(Cc1ccc(NC(=O)c2cccn3cnnc23)cc1)C1CC1 2325780556 UHIVLMPLRJPLJL-UHFFFAOYSA-N 321.384 2.576 0 50 DFAA CCOc1cc(CN2CC[C@H](C(=O)O)CC23CCC3)ccn1 2325787897 AJJXJSTYVVRSQS-AWEZNQCLSA-N 304.390 2.700 0 50 DFAA FC(F)(F)[C@]12CCC[C@H]1CN(Cc1cnnn1C1CC1)C2 2325793610 ALWLMNZLQCUXJI-GWCFXTLKSA-N 300.328 2.777 0 50 DFAA Cc1cc(Cc2noc([C@@]3(C)CC(C(C)(C)C)=NO3)n2)n(C)n1 2325809719 BTSHAEWUMVRMNN-MRXNPFEDSA-N 317.393 2.740 0 50 DFAA Cc1c(N[C@@H]2[C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]52)cnn1[C@@H]1CCOC1 2325830058 ZMSFDMUTIVAZLZ-QPHFCYOWSA-N 311.429 2.711 0 50 DFAA COc1ccc(CCNC(=O)c2c(C)nc3ccccn23)cc1 38035 IKJBHYSBXDGRLG-UHFFFAOYSA-N 309.369 2.624 0 50 DFAA COc1cc(NC(=O)c2cccc(C)c2)c(C(=O)O)cc1OC 190883 CKPZGTHZUDGOEK-UHFFFAOYSA-N 315.325 2.963 0 50 DFAA biogenic Cc1c(CNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cnn1C 269021 SOYWALLSLUHSIQ-JQWIXIFHSA-N 316.232 2.936 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)ccc1OC 469609 JMVZPYLTRRMTEU-ZDUSSCGKSA-N 324.764 2.540 0 50 DFAA O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 472565 CXUQLRGEXFLPBX-UHFFFAOYSA-N 315.712 2.751 0 50 DFAA CCCOc1c(Br)cc(C(N)=O)cc1OCC 2140781 SCZVJYZTGCXWLV-UHFFFAOYSA-N 302.168 2.736 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O 2583001 ZEMKCIHCRJIZOO-JTQLQIEISA-N 315.753 2.566 0 50 DFAA c1cnc2ccnc(N3CCC[C@@]4(CCc5c[nH]nc54)C3)c2c1 2356154455 WRGSMWUCAYRRDU-GOSISDBHSA-N 305.385 2.837 0 50 DFAA COc1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 3202988 ILCDWBMMCNVAFD-UHFFFAOYSA-N 322.364 2.718 0 50 DFAA biogenic CN(c1nc2ccccc2s1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356163895 WMUSOJHHOJFAPC-TUAOUCFPSA-N 301.415 2.647 0 50 DFAA CCNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 4833465 HILXJFRRZJQDRX-FOWTUZBSSA-N 312.344 2.733 0 50 DFAA CCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1CC 4970432 PCPOZZFBULQHNN-UHFFFAOYSA-N 306.387 2.844 0 50 DFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1 10372207 CZQXLCLAKFBVIM-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA O=C1CCN(C(=O)c2ccc(F)cc2Cl)CCN1CC1CC1 20449660 WCWKOMOWFYSGLX-UHFFFAOYSA-N 324.783 2.564 0 50 DFAA O=C(C1CC1)N1CCC(C(=O)N2CC[C@H]2c2ccccc2)CC1 53080816 MJBMWZXOIXPQMC-KRWDZBQOSA-N 312.413 2.609 0 50 DFAA COc1ccc(CNC(=O)Cn2ccc3cc(OC)ccc32)cc1 20732467 XBKNSHBLOWGLEJ-UHFFFAOYSA-N 324.380 2.975 0 50 DFAA COc1c(F)cc(NC(=O)N[C@H](CO)CC(C)C)cc1F 117447423 BGASVWGAWSVTLU-JTQLQIEISA-N 302.321 2.502 0 50 DFAA C[C@@H]1CCN([C@H]2CCc3ccccc3NC2=O)C[C@@H]1n1ccnc1 248916734 ZZQWLAJPFSNDRM-JLSDUUJJSA-N 324.428 2.720 0 50 DFAA Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 67514342 MVFOOUYOWAERDQ-OAHLLOKOSA-N 313.401 2.893 0 50 DFAA CCc1cc(C(=O)NCCc2ccc3ccccc3n2)cc(O)n1 350737234 OOYFYINZMSJSES-UHFFFAOYSA-N 321.380 2.870 0 50 DFAA CCc1ccc(CN2CCN(C(=O)[C@@H]3CCCCO3)CC2)s1 124092439 WFYHKWOPZIXTBA-INIZCTEOSA-N 322.474 2.524 0 50 DFAA CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)s1 119413235 MNYOOEWUHMBXMB-GHMZBOCLSA-N 308.447 2.820 0 50 DFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H](CCO)C1 229306935 ADVANSYHBYGPEO-KBPBESRZSA-N 301.390 2.892 0 50 DFAA Cc1c(C(=O)Nc2ccccc2)cccc1N(C)S(C)(=O)=O 65362896 YHPTZDWZECJUAI-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA CC1(C)[C@H](C(=O)NCCc2ccccc2)CC[C@]1(C)C(=O)O 47710 ZWXYBYIPWGXZFF-KBXCAEBGSA-N 303.402 2.872 0 50 DFAA Cc1ccccc1Cn1cc(NC(=O)c2cn(C)nc2C)cn1 2763385 VOGCXHBLNWLEGA-UHFFFAOYSA-N 309.373 2.534 0 50 DFAA CCCCc1n[nH]c(SCc2nc3ccccc3c(=O)[nH]2)n1 4625506 ZVMMPDQCYBBBGS-UHFFFAOYSA-N 315.402 2.676 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)CC1 72141782 INISZXRPNHEKEW-CYBMUJFWSA-N 303.431 2.853 0 50 DFAA C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)[C@H]1CCCO1 6731616 RSCHSTJGWYSDLB-TVQRCGJNSA-N 301.745 2.542 0 50 DFAA COc1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)on1 328638883 WRQGTWDPZMNEBN-SNVBAGLBSA-N 321.402 2.640 0 50 DFAA Cc1cnc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)cn1 328633023 SGZUSCUJYVLPQX-GFCCVEGCSA-N 316.430 2.742 0 50 DFAA Cc1nc(-c2ccccc2NC(=O)c2nccnc2N)cs1 357615185 ATFRFKPDPHUHCM-UHFFFAOYSA-N 311.370 2.743 0 50 DFAA Cc1ccc(C)c(CCNc2cc(C3CC(N)C3)nc(N)n2)c1 219885164 DOACWBJVCLNVHH-UHFFFAOYSA-N 311.433 2.535 0 50 DFAA COc1cc(N2CCN(C/C(C)=C/c3ccccc3)CC2)ncn1 360187915 IXNVOCKHZSNRHO-FOWTUZBSSA-N 324.428 2.711 0 50 DFAA Cn1ccc(/C=C/C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 367266368 GEHFOTAWBFXJNL-IBDYFIJFSA-N 324.424 2.591 0 50 DFAA Cc1ncc(C(=O)N[C@@H](C)Cc2c(C)noc2C)c(C(C)C)n1 172477324 YMTJZFDQSLDDFQ-JTQLQIEISA-N 316.405 2.874 0 50 DFAA Cc1nccc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 368447660 UGQFETGHPWQAJJ-GOSISDBHSA-N 315.392 2.870 0 50 DFAA Cc1cccc(SC2CCN(C(=O)Cn3ccnc3)CC2)c1 77407733 IHGBMXPOBHPYIF-UHFFFAOYSA-N 315.442 2.975 0 50 DFAA CN(C)C/C=C/C(=O)N[C@H](c1cc(F)ccc1F)C(F)F 493328728 CVJLNYJXLGBJHZ-ITDFMYJTSA-N 304.287 2.505 0 50 DFAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C(C)(C)C)s1 237536157 WZXINRIOTJNAKU-QWRGUYRKSA-N 316.492 2.546 0 50 DFAA CC(C)c1nnc(CNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)s1 241588538 PDXLCOHMHFREJD-RYUDHWBXSA-N 324.450 2.515 0 50 DFAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC1CCOCC1 495819073 UDEPAOHQUHFOPU-UMVBOHGHSA-N 312.454 2.789 0 50 DFAA O=C(O)COc1ccc(NC(=O)c2cscn2)cc1Cl 237968077 GQMNTUDXEBUWNR-UHFFFAOYSA-N 312.734 2.512 0 50 DFAA CCN1C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)CC1=O 452957839 PWXPUWPNOAMTGT-QGZVFWFLSA-N 322.408 2.556 0 50 DFAA Cc1cc(CNC(=O)N2CCCC[C@@H]2c2cccn2C)on1 175408297 FQJWSYFVDXKXDA-OAHLLOKOSA-N 302.378 2.758 0 50 DFAA COc1cc(Cn2nc(-c3ccccc3F)ccc2=O)ccn1 339611835 WGLMNRVFOMTJNX-UHFFFAOYSA-N 311.316 2.501 0 50 DFAA 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324.306 2.857 0 50 DFAA CCCC(CCC)C(=O)N1CCC[C@@H](n2cc([C@@H](C)O)nn2)C1 1875323862 VQDHZIVFWTUYED-UKRRQHHQSA-N 322.453 2.711 0 50 DFAA C[C@@H](NC(=O)CCc1ccc(O)nc1)c1ccc2c(c1)CCO2 887330596 PEODWIHSNJHRNW-GFCCVEGCSA-N 312.369 2.532 0 50 DFAA O=C(Nc1cc(C(F)F)ns1)Nc1cc(F)ncc1CO 1772820544 CKYCAIAVJIFWPE-UHFFFAOYSA-N 318.280 2.751 0 50 DFAA Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ncccn2)c1 1180509757 NHRUNNBESDMZJM-UHFFFAOYSA-N 313.401 2.946 0 50 DFAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cc2ncc[nH]2)no1 1775988048 PIQBUUQEKZOIAM-LBPRGKRZSA-N 317.393 2.603 0 50 DFAA CC(C)n1ncc2c1[C@@H](NC(=O)Cc1cncs1)CCC2 1776002481 FWOQJZRHIJNIJL-ZDUSSCGKSA-N 304.419 2.657 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F 899836442 VHJIXBSJLBQZIF-FFSVYQOJSA-N 323.364 2.711 0 50 DFAA COc1cc2c(cc1-c1cc(N3CCCCC3)ncn1)OCO2 2100555285 PFBUTNYFGKPMPR-UHFFFAOYSA-N 313.357 2.871 0 50 DFAA CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(C)c(C)[nH]1 896917436 XVILCVALLBQSAC-AWEZNQCLSA-N 301.390 2.809 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC 249148 QIMQDORVZFTKQA-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA COc1ccc(Br)cc1C(=O)NCc1cccnc1 307040 QQDYVIRERYUCBS-UHFFFAOYSA-N 321.174 2.783 0 50 DFAA O=c1sc2ccccc2n1Cn1c(=O)sc2ccccc21 405756 NTTSSNNWOJFXKC-UHFFFAOYSA-N 314.391 2.945 0 50 DFAA O=C(Cc1ccccc1F)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356134502 POMARICCNIYVDP-SFHVURJKSA-N 313.376 2.598 0 50 DFAA CC(C)Nc1cc(N2CCC[C@]3(CCc4c[nH]nc43)C2)ncn1 2356159140 NVDSWDIHAKSLAG-KRWDZBQOSA-N 312.421 2.504 0 50 DFAA Cc1cc(C)cc(N(C(=O)C(C)C)[C@H]2C=CS(=O)(=O)C2)c1 4165612 FKSYPLJJSVTSRV-AWEZNQCLSA-N 307.415 2.603 0 50 DFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)cs1 6681543 METITQOFNIYOLS-UHFFFAOYSA-N 324.427 2.525 0 50 DFAA CCc1cc(S(=O)(=O)Nc2cccc(C)n2)ccc1OC 8714947 TWDJFKYWMMPYRO-UHFFFAOYSA-N 306.387 2.762 0 50 DFAA NC(=O)c1ccc(NCc2csc([C@H]3CCCO3)n2)cc1 134802924 FSMYXCKOAITXQA-CYBMUJFWSA-N 303.387 2.706 0 50 DFAA CNc1snc(C)c1C(=O)NCc1ccn(C2CCCC2)n1 134959037 GFDPKORBDHNAAH-UHFFFAOYSA-N 319.434 2.735 0 50 DFAA C[C@H]1C[C@H](C(=O)Nc2ccc3nc(S)[nH]c3c2)C[C@@H](C)O1 248666930 WVWZYIIEPDBTIL-ILWJIGKKSA-N 305.403 2.994 0 50 DFAA COc1cnccc1[C@H](C)N1C(=O)NC2(CCCCCC2)C1=O 349428950 SXRICQWIBXAFJH-LBPRGKRZSA-N 317.389 2.796 0 50 DFAA C[C@H]1[C@H](C)N(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CCN1C 356901104 MCPSWBPSSNCLIT-RYUDHWBXSA-N 319.836 2.915 0 50 DFAA CC1(C)CN(C(=O)c2cn3cccnc3n2)C[C@@H]1c1ccccc1 119377917 QIPRBGBEXUFAKJ-OAHLLOKOSA-N 320.396 2.995 0 50 DFAA CC(C)(C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(O)cc1 253404663 CXGBYZYMMCGLSP-XHSDSOJGSA-N 303.402 2.744 0 50 DFAA Cc1c[nH]nc1CNCc1ccc(COC2CCOCC2)cc1 352812026 VVARHXWJAAQTHS-UHFFFAOYSA-N 315.417 2.704 0 50 DFAA Cc1cnn(C[C@H]2CCCN2C[C@@H](O)c2cccc(F)c2)c1 229491551 UXLATPQNUYUQEL-IAGOWNOFSA-N 303.381 2.529 0 50 DFAA N[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1c1cccc(F)c1 424010870 LYHMXOWMYYJHQD-ZWKOTPCHSA-N 324.399 2.811 0 50 DFAA C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@]2(CCCOC2)O1 253432298 XSZNMWMQTDMEDU-RISCZKNCSA-N 316.323 2.875 0 50 DFAA 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DFAA COc1ccc(C(=O)n2nc(C)cc2C)cc1Br 358393 LEBYTPACTAJMOT-UHFFFAOYSA-N 309.163 2.960 0 50 DFAA COc1ccc([C@H](C(=O)OCCN(C)C)c2ccccc2)cc1 454622 YXJSVFSCTUBDFD-GOSISDBHSA-N 313.397 2.932 0 50 DFAA COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F 528048 DRJGLNJUJMRVJJ-UHFFFAOYSA-N 320.345 2.729 0 50 DFAA COC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 2544906 CXJUCMZYKOTUEK-UHFFFAOYSA-N 308.337 2.627 0 50 DFAA C[C@]1(O)CCOC2(CCN(c3nc4ccccc4o3)CC2)C1 2356158859 CFNSSIGEDMJFBO-INIZCTEOSA-N 302.374 2.728 0 50 DFAA O=C(Nc1cccc2ccccc12)O[C@@H]1C=CS(=O)(=O)C1 2978716 UEQBPORZDQBLCV-GFCCVEGCSA-N 303.339 2.699 0 50 DFAA CC(=O)Oc1ccc(NC(=O)C2CCCCC2)c(C(=O)O)c1 4278525 PVYFLNBBMFUKCU-UHFFFAOYSA-N 305.330 2.829 0 50 DFAA COc1ccc(OCCNc2ccc(CCO)cc2OC)cc1 225656248 GRMUGFOERGWRLH-UHFFFAOYSA-N 317.385 2.730 0 50 DFAA C[C@@H](NC(=O)CCCn1cncn1)c1ccc2c(c1)CCCC2 54129374 WUVIRQSNNMTKOY-CQSZACIVSA-N 312.417 2.815 0 50 DFAA Cc1cc(C[C@@H](C)Nc2cc(N3CCCCC3)ncn2)[nH]n1 65455520 LTVNAMKDWYEIBV-GFCCVEGCSA-N 300.410 2.542 0 50 DFAA Cc1ccc2cc(CN(Cc3nccn3C)C3CC3)c(=O)[nH]c2c1 67447044 ZPYVLQDRIMDOLK-UHFFFAOYSA-N 322.412 2.735 0 50 DFAA C[C@H](C(=O)NCCCc1ccccn1)n1cnc2ccccc21 179074203 RJCGXXIFCVGZBH-CQSZACIVSA-N 308.385 2.741 0 50 DFAA CCNC(=O)N1CCC(N[C@H](C)CC(C)(C)SC)CC1 65408118 PBWLSMJZACEEDA-GFCCVEGCSA-N 301.500 2.690 0 50 DFAA Cc1nc(C(=O)NCCCSc2nnc(C)s2)cs1 65460860 OIAUSHNDGUWGDD-UHFFFAOYSA-N 314.461 2.524 0 50 DFAA C[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)[C@H]1CCCO1 149236874 QUGNLHBZHJFUCS-CMPLNLGQSA-N 318.402 2.894 0 50 DFAA c1ccc2c(c1)ncn1nc(-c3ccc4c(c3)OCCO4)nc21 2808180 KDXMOCIUINRGOU-UHFFFAOYSA-N 304.309 2.716 0 50 DFAA CCCOc1ccnc(SCC(=O)NC2CCCCC2)n1 2808105 GSWOHFPTHCCMKI-UHFFFAOYSA-N 309.435 2.806 0 50 DFAA CCCCn1cc(C(=O)N2CC3(CCNCC3)C[C@H]2C)c(C)n1 424245851 VDJXVWHGEHWJLP-CQSZACIVSA-N 318.465 2.596 0 50 DFAA CN(c1ncns1)C1CCC(NC(=O)OC(C)(C)C)CC1 119920779 GWRDRHDBTQEJAL-UHFFFAOYSA-N 312.439 2.810 0 50 DFAA Cc1cc(-n2c(C)cc(C(=O)NCC(F)(F)F)c2C)no1 122694001 ZUHYNGSRHAFMBP-UHFFFAOYSA-N 301.268 2.683 0 50 DFAA Cc1nc(C(=O)NCCN(C)CCc2ccccc2)c(C)s1 215682558 HGBHUHLJBORVJF-UHFFFAOYSA-N 317.458 2.664 0 50 DFAA CC(C)c1cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)no1 215988188 KXRUHJSLOGVPQC-CQSZACIVSA-N 314.389 2.987 0 50 DFAA O=C(c1ccc([C@H]2CCCO2)s1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71404001 ZCWHVKVAPBNTBD-MBJXGIAVSA-N 319.426 2.849 0 50 DFAA COCC[C@@H]1CCCCN(C(=O)c2ccc3nc(O)[nH]c3c2)C1 368769495 ZZLYISIDMVNJKE-LBPRGKRZSA-N 317.389 2.547 0 50 DFAA O=C([C@@H](O)c1cccnc1)N1CCC(=Cc2ccccc2)CC1 370138080 JXCOLRYWUWPRCA-SFHVURJKSA-N 308.381 2.821 0 50 DFAA COc1c(C)cnc(CN2CC[C@]3(CCCO3)CCC2=O)c1C 71754297 FKSUPZJNVGBCBK-SFHVURJKSA-N 318.417 2.769 0 50 DFAA CCc1noc(CN(CC)Cc2cnc(N3CCCC3)s2)n1 214981232 GOKSAVCFTIYTPR-UHFFFAOYSA-N 321.450 2.711 0 50 DFAA Cc1cccc(OC2CN(c3nc(C)nc4onc(C)c34)C2)c1 77470891 AIOWNZFVDBZJSC-UHFFFAOYSA-N 310.357 2.811 0 50 DFAA Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 41115306 YMZJENBJFDEAGT-UHFFFAOYSA-N 304.390 2.688 0 50 DFAA CCCc1cc(C(=O)N(C)Cc2ccc3nccnc3c2)no1 82092319 DWSNSWXBWYNBFN-UHFFFAOYSA-N 310.357 2.843 0 50 DFAA O=C(c1ccccc1OC1CC1)N1CCC[C@@H](c2ncc[nH]2)C1 289241116 VENQGFSVOPUEIF-CYBMUJFWSA-N 311.385 2.971 0 50 DFAA C[C@@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1ccc[nH]1 82106391 QPUXHZFXSQLAKU-LLVKDONJSA-N 317.776 2.546 0 50 DFAA CC[C@H](C)[C@H](CNC(=O)NC[C@@](C)(O)CCC(C)C)OC 458955422 BHNZBKOCIIQZEG-DZKIICNBSA-N 302.459 2.534 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)Nc2ccc3c4c(cccc24)CC3)C1 263505979 VPMPYIBOVFMDOS-CYBMUJFWSA-N 310.353 2.877 0 50 DFAA CC(C)SCCN1C(=O)C2(CCNCC2)Nc2ccccc21 82157632 PCJMKKUZDOBBMR-UHFFFAOYSA-N 319.474 2.709 0 50 DFAA CC[C@@H]1C=CCN1C(=O)c1ccc(OCCCN)c(Cl)c1 426412212 HMKCWQSFAULVEG-CYBMUJFWSA-N 308.809 2.858 0 50 DFAA COc1cccc(CCC(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 237374570 VQJWGDRBMMWCPV-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA CSc1ncc(Br)c(=O)n1Cc1ccccc1 144454660 MDSUOFSPRNXYJN-UHFFFAOYSA-N 311.204 2.776 0 50 DFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1nc2ccccc2[nH]1 426602436 JODLHAWPNWEJLN-CQSZACIVSA-N 311.389 2.604 0 50 DFAA Cc1ccccc1CN1CC[C@H](CNc2nc(N)ncc2C)C1 91327027 BERVRFLWSBFJBQ-OAHLLOKOSA-N 311.433 2.610 0 50 DFAA Cc1n[nH]c([C@@H]2CCCN2Cc2cc3c(cc2Cl)OCO3)n1 97756379 WKIGBMAMZKWVQJ-LBPRGKRZSA-N 320.780 2.832 0 50 DFAA COc1ccccc1C[C@H](C)N(C)C(=O)c1cc2n(n1)CCC2 294993863 OSGVHVSWYVVNCW-ZDUSSCGKSA-N 313.401 2.541 0 50 DFAA CCc1nc(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 240128310 IPNIODDFTRCEEY-ZDUSSCGKSA-N 321.490 2.928 0 50 DFAA O=C(CC(F)(F)F)N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244884003 YDIJKSXAGLRHTG-NDMJEZRESA-N 305.271 2.706 0 50 DFAA COc1ccc(C(=O)N2CC[C@@H](CN)C2)cc1-c1ccccc1 299738934 IQRRTTJXVOEJIC-AWEZNQCLSA-N 310.397 2.783 0 50 DFAA Cc1nonc1CC(=O)N[C@H](CC(C)(C)C)c1cccnc1 534578534 RLYPXONFEWSDDL-CQSZACIVSA-N 302.378 2.609 0 50 DFAA CCCCCc1nnc(NC(=O)CN2CCC[C@H](C)C2)s1 362216758 VMSCGBHDBGRBIZ-LBPRGKRZSA-N 310.467 2.941 0 50 DFAA Cn1cncc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 289888421 SRPCLZJBFAGCEF-CQSZACIVSA-N 311.385 2.987 0 50 DFAA O=C(NCc1nncn1C1CCCCC1)[C@H]1C[C@@H]2C=C[C@H]1C2 828126567 HJFBYEIEULICFO-IPYPFGDCSA-N 300.406 2.612 0 50 DFAA O=C(NCC1(N2CCCCC2)CCCC1)[C@H](O)C1CCCCC1 828102528 BHQLBGMPCVOAKQ-QGZVFWFLSA-N 322.493 2.843 0 50 DFAA C[C@@H](CN1CCCCC1)NCc1ccc(-c2ncon2)cc1 670436151 XEAQSLKWAIHYRA-AWEZNQCLSA-N 300.406 2.701 0 50 DFAA O=C(NC[C@H]1CCCN(c2ccncc2)C1)C1CCCCC1 952977611 KLIJOBFDLRNZCA-OAHLLOKOSA-N 301.434 2.995 0 50 DFAA COCCn1cnnc1[C@@H](C)NCc1csc2ccccc12 952868582 CLENITOFJLGNTQ-GFCCVEGCSA-N 316.430 2.990 0 50 DFAA CCc1nc2cc(NC(=O)CC3CCNCC3)ccc2n1CC 952990775 YYFYQAONSSCLJU-UHFFFAOYSA-N 314.433 2.947 0 50 DFAA OCc1ccc(Br)cc1I 96025128 PHCDQWNJXJCVFN-UHFFFAOYSA-N 312.932 2.546 0 50 DFAA in-vitro CCC(CC)[C@H]1C[C@H](Nc2ncccc2C(=O)NC)CCO1 302012434 BAVZQLVGOFGOTO-UKRRQHHQSA-N 305.422 2.837 0 50 DFAA C[C@@H](CC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(F)cc1 408521804 JQQIUDOEBMDVFB-YDHLFZDLSA-N 320.408 2.727 0 50 DFAA C[C@@H](c1ccccc1)S(=O)(=O)NC(=O)C1CC2(CCC2)C1 408504861 ZKPNFOJNVASHSJ-LBPRGKRZSA-N 307.415 2.774 0 50 DFAA O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)N[C@@H]1CC=CCC1 170057506 NHTOLINPHCDTKF-RISCZKNCSA-N 312.772 2.920 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]2CCC[C@H]12 630275883 UYXSZYJZOZQUKI-MGPQQGTHSA-N 309.312 2.680 0 50 DFAA Cc1ccc([C@H](C)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(C)n1 670158482 AOJDLPPAFYJLAK-YXJHDRRASA-N 318.461 2.917 0 50 DFAA CC(C)(C)n1cnc(C(=O)Nc2ccccc2-c2ncco2)n1 585128007 PGHWKRPRDUCLMB-UHFFFAOYSA-N 311.345 2.940 0 50 DFAA CCn1c(S[C@@H]2CCC[C@H](OC)C2)nnc1-c1cnccn1 585118803 CJSJEYOIMRXXTK-NWDGAFQWSA-N 319.434 2.805 0 50 DFAA CCN(CC)[C@H](C)CNC(=O)NCc1ccc2ncccc2c1 194013248 KFDGAGCHSBXEKQ-CQSZACIVSA-N 314.433 2.764 0 50 DFAA N[C@H]1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 195107917 HCVWMBMCMWZDQK-ZDUSSCGKSA-N 318.348 2.561 0 50 DFAA C[C@@]1(C(N)=O)CCCCN1Cc1cc(F)ccc1OC(F)F 660274970 ACDZMLUKAPUJMM-HNNXBMFYSA-N 316.323 2.657 0 50 DFAA C=Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1 763283542 MDRNRQQXBOLJMF-UHFFFAOYSA-N 307.309 2.925 0 50 DFAA O=C(O)c1nccnc1N1CC[C@@H](c2cccc(Cl)c2)C1 1506422949 BOMHIJSROZDHAF-LLVKDONJSA-N 303.749 2.822 0 50 DFAA CO[C@H](C)c1nnc(NC(=O)c2ccc3nc(C)[nH]c3c2)s1 1529195141 GHUVVRIOKOKMHP-SSDOTTSWSA-N 317.374 2.683 0 50 DFAA CO[C@H]1CN(c2nc3ccccc3o2)C[C@H]1Cc1cc(C)no1 1704341170 QKSMAFCMMPOCAD-WBMJQRKESA-N 313.357 2.818 0 50 DFAA Cc1cc(=O)oc2ccn(CCn3ccc4ccccc43)c(=O)c12 1772491269 KTIXHRYZIACNAL-UHFFFAOYSA-N 320.348 2.918 0 50 DFAA CCN1CCC(NC(=O)[C@H](C)Oc2ccccc2Cl)CC1 16580659 XBJPOQLBJQFTMO-LBPRGKRZSA-N 310.825 2.708 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)O 404745 DGIGGVANZFKXLS-KGLIPLIRSA-N 321.373 2.666 0 50 DFAA in-vitro O[C@@H](CSc1nnc(-c2ccccc2)[nH]1)CC(F)(F)F 225545812 WWXUESJYSUDJHA-SECBINFHSA-N 303.309 2.877 0 50 DFAA C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC(C)(C)C1 375227751 GZWPXKYOBKEBME-UJDVCPFMSA-N 306.450 2.622 0 50 DFAA FC(F)(F)CO[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 588897818 OBZJORAANWYHLN-SECBINFHSA-N 300.284 2.506 0 50 DFAA c1ccc([C@H](NC2CCN(c3cccnn3)CC2)C2CC2)nc1 903160405 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O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1CC[C@H]1c1ccccc1 1875349574 BYYHRLJDSKQQMZ-IRXDYDNUSA-N 319.368 2.795 0 50 DFAA Oc1ccc(CN2CCN(CC[C@@H]3CCCO3)CC2)cc1Cl 879447566 NXTNNTBRUUJLNY-HNNXBMFYSA-N 324.852 2.732 0 50 DFAA O=C(CCn1ccnn1)N1CCC(CC2CCCCC2)CC1 887623889 YMXCGVXZTMIANC-UHFFFAOYSA-N 304.438 2.877 0 50 DFAA O=C(Cc1cccc2cnccc12)N[C@@H]1CCOC12CCCC2 890406050 UOSDAWBLIDENMK-QGZVFWFLSA-N 310.397 2.995 0 50 DFAA CC(C)c1n[nH]cc1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 1775961052 WJMYZORUBCSUHW-TZMCWYRMSA-N 313.357 2.576 0 50 DFAA CCN1CCO[C@H](c2nnc(-c3ccc4ccccc4n3)o2)C1 1322053707 YJDLBDXJIOKBQY-HNNXBMFYSA-N 310.357 2.678 0 50 DFAA O=C(c1cc(-c2ccccc2)no1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100543133 MMVADJKPJLYZHJ-XMQYKBBCSA-N 312.369 2.717 0 50 DFAA CC1(C)NCc2c1n[nH]c2C(=O)Nc1ccc2ncccc2c1 2325856269 IFVKCPAXMDUFRW-UHFFFAOYSA-N 307.357 2.549 0 50 DFAA CCOC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 136960 ICXIZSVCUAULHT-UHFFFAOYSA-N 314.366 2.688 0 50 DFAA COc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1OC 200678 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C[C@@H]1CCC[C@H](C(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)C1 253424932 VOPNCQOJUDMGBX-KBMXLJTQSA-N 302.418 2.888 0 50 DFAA CC[C@@H]1CN(C(=O)c2coc3ccccc23)C[C@@H](C)[S@@]1=O 331971201 NEGOHBVVXRXPGV-ZSMADZGOSA-N 305.399 2.804 0 50 DFAA CCc1[nH]nc(NC(=O)c2ccc(Br)cn2)c1C 153832629 OTAJIAMRGBBBGL-UHFFFAOYSA-N 309.167 2.690 0 50 DFAA Cc1cnc(CNC(=O)Cc2nc(-c3ccco3)oc2C)s1 172713757 NOFJPGXEMLTQPZ-UHFFFAOYSA-N 317.370 2.867 0 50 DFAA C[C@@H]1OCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)[C@@H]1C 371253602 LZFXTJUZLUVKQQ-ILXRZTDVSA-N 310.438 2.687 0 50 DFAA COc1ccccc1CC1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1 237143753 YMHSTHXANKUDGV-IAGOWNOFSA-N 316.445 2.604 0 50 DFAA C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)O)C1 237422303 CLISDSSLENTREZ-HUUCEWRRSA-N 319.401 2.695 0 50 DFAA C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 334120032 KMWIIPNVMVARNW-UNEWFSDZSA-N 315.417 2.590 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)s1 262894445 LRVZRWODYXAGGV-KBPBESRZSA-N 315.394 2.997 0 50 DFAA CC(C)[C@@H]1CCN1c1nc(O)c2cnn(-c3ccccc3)c2n1 450815308 SIXBMISSMPMLKD-AWEZNQCLSA-N 309.373 2.756 0 50 DFAA Cc1c(CN2CCc3n[nH]c(-c4ccccc4)c3C2)cnn1C 42628393 XXDUODVFZHOQAO-UHFFFAOYSA-N 307.401 2.677 0 50 DFAA Oc1nc2ccccc2cc1CN[C@H]1CCO[C@@H]1c1cccnc1 285122529 RONKBAHXUKSETA-ZWKOTPCHSA-N 321.380 2.955 0 50 DFAA COc1cccc(C2(CNC(=O)[C@@]3(C)CCCCO3)CC2)c1 457822720 YIBQROICPMJGEJ-QGZVFWFLSA-N 303.402 2.802 0 50 DFAA Cc1cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)nn1Cc1ccccc1 17056545 RENTYMALCOODSH-IYBDPMFKSA-N 323.396 2.919 0 50 DFAA CCO[C@H](C)C(=O)N(C)Cc1ccc(OC)c2ncccc12 426430590 DCIKGRNKJSKJFZ-GFCCVEGCSA-N 302.374 2.627 0 50 DFAA CN(C)Cc1cccc(CNC(=O)c2ccc(F)c(O)c2)c1 221387320 AAVDZIASWHPHGC-UHFFFAOYSA-N 302.349 2.523 0 50 DFAA CCNc1ncc(C(=O)NCc2cccc(SC)c2)cn1 97638004 FIOVZPBKZWEWPM-UHFFFAOYSA-N 302.403 2.560 0 50 DFAA Cc1cc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)ccn1 426387736 QDEDQIJWXNRSFL-IEBWSBKVSA-N 310.397 2.947 0 50 DFAA O[C@@H]1CCCOC12CCN(c1ccc(C(F)(F)F)cn1)CC2 91794321 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183685225 LQRPNVANUKNQKV-UHFFFAOYSA-N 316.308 2.988 0 50 DFAA CSc1cccc(CN(C)C(=O)NC[C@H](C)CN(C)C)c1 534664783 SQBPODUIHHLQLX-ZDUSSCGKSA-N 309.479 2.748 0 50 DFAA O=C(O)c1cccc([C@H]2CCCN(C(=O)C3CCOCC3)C2)c1 299803004 ZZJYBPPZTGKWLE-INIZCTEOSA-N 317.385 2.517 0 50 DFAA COc1cccc(-n2cc([C@@H](C)NC3CCN(C)CC3)cn2)c1 584885858 BDGOMOLCRVAIPF-CQSZACIVSA-N 314.433 2.626 0 50 DFAA O=C(C[C@H]1CCCOC1)NCC1(N2CCCCC2)CCCC1 584889026 RXOJSTONQMVYEM-MRXNPFEDSA-N 308.466 2.718 0 50 DFAA CC(C)C(=O)N[C@H](C)CN(C)C(=O)c1coc2ccccc12 1383759947 HOQYFQTZJBFFSD-GFCCVEGCSA-N 302.374 2.666 0 50 DFAA Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCc2ccccc2C1 275687140 WTNTZMKXTMBRMU-BZSNNMDCSA-N 311.429 2.787 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(OC)cc1OC 277290709 UTUCLFXVTAXHTF-HOTGVXAUSA-N 321.417 2.867 0 50 DFAA C[C@H]1CCC[C@@H](CCNS(=O)(=O)N2CCCCCC2)C1 170627434 QEBPONPYJZFOPN-GJZGRUSLSA-N 302.484 2.913 0 50 DFAA CCn1cc(C(=O)OCCN(C)CC(F)(F)F)c(C(C)C)n1 170645824 SBTMDMHNNFHZKF-UHFFFAOYSA-N 321.343 2.677 0 50 DFAA Cc1nc(C)c(C(=O)NCC2CCN(c3ccccc3)CC2)o1 279585390 ZXCJRCRZHJECKU-UHFFFAOYSA-N 313.401 2.938 0 50 DFAA CC(=O)c1ccc(N[C@H]2CCNC(=O)CC2)cc1C(F)(F)F 894207142 UVDCNBRPBBCMPY-SNVBAGLBSA-N 314.307 2.989 0 50 DFAA Cc1cc(C)c(N2CC[C@H](NC(=O)c3cccnc3)C2=O)c(C)c1 189921815 JNMYRVFPYFMWJR-INIZCTEOSA-N 323.396 2.542 0 50 DFAA Cn1nnc2cc(NC(=O)CCCOCc3ccccc3)ccc21 585089701 OEHYTUSDNAKUIW-UHFFFAOYSA-N 324.384 2.904 0 50 DFAA O=C(CCN1CCC[C@H]1c1cn[nH]c1)Nc1cccc(F)c1 585116343 RHCFEBNMQWGRSX-HNNXBMFYSA-N 302.353 2.715 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c(C)n1 682362549 JCEJLSZFWXQOON-LPWJVIDDSA-N 314.307 2.993 0 50 DFAA O=S1(=O)C[C@H](Nc2nc3cc(F)ccc3o2)c2ccccc21 195562737 OXDLWWPMVXFCCX-LBPRGKRZSA-N 318.329 2.907 0 50 DFAA CCn1cc(CNC(=O)N2CCC3(CCCCC3)CC2)nn1 661714944 IAOSLTLZWUPLFJ-UHFFFAOYSA-N 305.426 2.554 0 50 DFAA CCOC(=O)c1s/c(=N\c2ccccc2C)n(CCO)c1C 392242 QCGKRRLEMQNDBQ-MSUUIHNZSA-N 320.414 2.568 0 50 DFAA Cc1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)o1 1529151620 KOZQQHPAHHBROP-IEBWSBKVSA-N 312.413 2.846 0 50 DFAA c1cc2c(cc1CN1CCC[C@]3(CCc4c[nH]nc43)C1)CCO2 1800413446 HUJCJMTUNDQBPJ-IBGZPJMESA-N 309.413 2.825 0 50 DFAA COC(=O)c1c(Cl)ccc(NC(=O)NC2(C)CC2)c1F 1875297613 YKGQNTIEPUPPSJ-UHFFFAOYSA-N 300.717 2.940 0 50 DFAA Fc1ccc(/C=C/CN[C@H]2CCCN(c3ncccn3)C2)cc1 12092477 RUAXQSRKUZOZJD-XMUUHYKESA-N 312.392 2.888 0 50 DFAA Cc1ccc2[nH]nc(C(=O)N3CCC(Cn4ccnc4)CC3)c2c1 19732254 LONXSNCWKFZMNV-UHFFFAOYSA-N 323.400 2.620 0 50 DFAA Cc1ncoc1C(=O)N1CCCC[C@H]1CCn1ccnc1C 19840653 DJLPNKXYHHDCGW-AWEZNQCLSA-N 302.378 2.573 0 50 DFAA Cc1ccc(NC(=O)/C=C/C(=O)OCC(F)(F)C(F)F)cc1 3001550 BOTHGNWJZUANQC-VOTSOKGWSA-N 319.254 2.933 0 50 DFAA CCN(C)C[C@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2ccsc2)C1 1857532314 FWLAHTKKFPGBTQ-YUELXQCFSA-N 307.463 2.587 0 50 DFAA Cc1sc2ccccc2c1C(=O)N[C@@H]1CCCCNC1=O 1857711981 BIOLFHRLXLJUMX-GFCCVEGCSA-N 302.399 2.608 0 50 DFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(F)cc(Cl)c2)C1 622761460 JTWRXEJAAVBWPM-MNOVXSKESA-N 324.705 2.973 0 50 DFAA O=C(N[C@H]1CCNC1)c1csc(-c2ccccc2Cl)n1 126639247 UGIBTCOOAYTQHG-VIFPVBQESA-N 307.806 2.555 0 50 DFAA O=C(NCc1noc2c1CCCC2)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1 333485307 HZHMDNZVEKJBTB-JURCDPSOSA-N 315.417 2.741 0 50 DFAA Cc1ccc(-c2cc(CN3CCN(C)C(=O)C3(C)C)on2)cc1 129815303 QDHQFSSCYZACEI-UHFFFAOYSA-N 313.401 2.703 0 50 DFAA Cn1cc(C[C@H]2CCN(C(=O)c3cccc4[nH]ccc34)C2)cn1 363356216 PHQBLCMOZUFQJX-CYBMUJFWSA-N 308.385 2.606 0 50 DFAA C[C@](O)(CNC(=O)c1cc(F)c(Cl)c(N)c1Cl)C1CC1 585121490 QUUDVJCKVSTMEG-ZDUSSCGKSA-N 321.179 2.606 0 50 DFAA CCc1onc(C)c1CNC(=O)Nc1ccc2c(n1)CCC2 931673022 JMEWGQCXUZUVIR-UHFFFAOYSA-N 300.362 2.751 0 50 DFAA COc1ccc([C@H]2CCCN2Cc2cnc(OC)nc2C)nc1 934342662 ASMAXCDYLDPQLP-MRXNPFEDSA-N 314.389 2.534 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c2ncnn2C1 1875276249 PAPPBXFMCOAFSO-VWYCJHECSA-N 316.327 2.630 0 50 DFAA CO[C@@]1(c2nnc(C3(c4ccccc4C)CC3)o2)CCOC1 886082191 IOONIXLIJJJDFV-KRWDZBQOSA-N 300.358 2.720 0 50 DFAA Cc1nonc1CC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 887579497 TZYMFBXKKHCXBD-HNNXBMFYSA-N 313.401 2.963 0 50 DFAA c1ccc2sc(N3CC(c4n[nH]c5c4COCC5)C3)nc2c1 1775985428 YFSKMPZPJVKCHB-UHFFFAOYSA-N 312.398 2.696 0 50 DFAA CCOC(=O)[C@@H](C)Oc1cc2oc(=O)cc(C)c2cc1CC 86571 PZYJJNJAECYRQY-LLVKDONJSA-N 304.342 2.994 0 50 DFAA biogenic Cc1ncn(-c2ccc(NC(=O)[C@@H]3[C@@H]4CCOC[C@H]43)cc2)c1C 2325767754 RNLXTQWINXKRHF-BRWVUGGUSA-N 311.385 2.710 0 50 DFAA Cc1cc(=O)nc2n(CC(=O)Nc3cccc(C(C)C)c3)ccn12 2325772379 KMFKVMGOSTYBJY-UHFFFAOYSA-N 324.384 2.567 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2C(=O)O[C@@H]1CCC2(COC2)C1 2325799760 WILRYGJCYLUUJR-VXGBXAGGSA-N 307.415 2.984 0 50 DFAA C[C@H](NC(=O)C1CCCC1)c1nc(=Nc2ccccc2)[nH]o1 2325801332 CHCAXNMNSOOTEC-NSHDSACASA-N 300.362 2.603 0 50 DFAA Cc1nc(Cl)ccc1CNCc1ccc2nc(O)[nH]c2c1 2325858201 CVRXDPAFTMGCDU-UHFFFAOYSA-N 302.765 2.915 0 50 DFAA CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O 45212 WJAGTMVDTSNXEZ-UHFFFAOYSA-N 322.364 2.792 0 50 DFAA C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@]2(CNC(=O)C2)C1 245338919 PHCDAXVSTUXORG-SJCJKPOMSA-N 305.422 2.635 0 50 DFAA O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1c1ccc(Cl)nc1 225361655 AMYYKACQXRPNFS-JLLWLGSASA-N 305.765 2.835 0 50 DFAA CCCc1cc(C(=O)N(C)CC[C@H](O)c2ccccc2)[nH]n1 55359722 RBMSJICAHVCAKS-INIZCTEOSA-N 301.390 2.558 0 50 DFAA CC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)c1 21660221 PVTUJCDUWHPMNR-UHFFFAOYSA-N 311.263 2.894 0 50 DFAA Cc1ccc2nc(CNCc3nnc4n3CCCCC4)[nH]c2c1C 67847468 JZGRYBCYPQMGFQ-UHFFFAOYSA-N 324.432 2.787 0 50 DFAA C(=C/c1ccco1)\CN1CCCC[C@@H]1CCN1CCOCC1 65527126 SKBUOLXQRGUWFT-ZNNBYXKUSA-N 304.434 2.870 0 50 DFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cccnc3)C2)c1 67677399 MSTIPNWAVNNXEL-CQSZACIVSA-N 312.369 2.729 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 67643309 HRXRDNVXYZMLQS-CQSZACIVSA-N 311.389 2.930 0 50 DFAA O=C1c2ccc(Br)cc2C(=O)N1Cc1cccnc1 137889142 SKJXUVRASVIPLF-UHFFFAOYSA-N 317.142 2.640 0 50 DFAA CC(C)n1cncc1CN[C@H]1CCN(c2ncccc2Cl)C1 424138236 BZXXYQCJYGPCSE-ZDUSSCGKSA-N 319.840 2.881 0 50 DFAA C[C@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@@H](C)S1 230275598 DPSOSDJIIVAFLP-GUTXKFCHSA-N 306.431 2.838 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)N1CCSc2ccncc21 124952801 SLHBWHKAVJVWDV-GFCCVEGCSA-N 300.383 2.988 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 252656425 GHZCVZUODMORTH-QCZZGDTMSA-N 313.228 2.904 0 50 DFAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc2n(n1)CCCO2 431845326 NWMNOOHKMOJCOB-LBPRGKRZSA-N 317.311 2.517 0 50 DFAA CCc1cc(N2CCC(Nc3ncc(C)c(C)n3)CC2)ncn1 241720832 QSPGGWJNFATLAK-UHFFFAOYSA-N 312.421 2.527 0 50 DFAA CC(C)(O)CCCCOC(=O)c1ccc2c(c1)OCCCO2 242287984 YKAKVLUQTLUWFV-UHFFFAOYSA-N 308.374 2.946 0 50 DFAA CCC[C@]1(COC)CCCN1C(=O)c1ccc2cc[nH]c2n1 331880435 MAFTVZKYXDXJCG-QGZVFWFLSA-N 301.390 2.984 0 50 DFAA Cc1ccsc1CCNC(=O)c1ccc2c(c1)OCCO2 358492293 PBOHMKBUYABMKB-UHFFFAOYSA-N 303.383 2.800 0 50 DFAA CC(C)(C)n1nc(C(=O)N2CCC[C@](C)(O)C2)cc1C1CC1 152779909 PXFNSSQGROFAJU-KRWDZBQOSA-N 305.422 2.503 0 50 DFAA O=C(NCc1ccc(Cl)s1)N1CCC(F)(F)[C@H](CO)C1 361920514 YMQPWWHYGDPRQR-QMMMGPOBSA-N 324.780 2.561 0 50 DFAA Cc1ccc(-c2noc(CN(C)C[C@H]3CCOC3)n2)cc1F 361942557 WUHRNEPPCPKAMG-GFCCVEGCSA-N 305.353 2.652 0 50 DFAA COC1(CNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 154843196 UOCNWQZXNORHRF-RYUDHWBXSA-N 323.355 2.667 0 50 DFAA CC(=O)NC[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 155629032 FRMBNONQOFDAFF-INIZCTEOSA-N 316.445 2.748 0 50 DFAA CNC[C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 237296425 GRZGMMLGYHZWCT-LLVKDONJSA-N 315.244 2.994 0 50 DFAA c1csc(-c2noc(-c3ccn([C@H]4CCCNC4)n3)n2)c1 261607768 AJMOAVDAFVJRMZ-JTQLQIEISA-N 301.375 2.586 0 50 DFAA Cc1nc(CN(C)Cc2ccccc2O[C@@H](C)C(=O)O)cs1 215098686 HHXSENSVBOYBNY-NSHDSACASA-N 320.414 2.935 0 50 DFAA Cc1nc(C)c(CC(=O)NCCCc2ccc(O)cc2)s1 216283846 LHCHSWBGWSSUAX-UHFFFAOYSA-N 304.415 2.757 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)O)cn2)CC1 74941268 IIVJLAFREWVEDC-GFCCVEGCSA-N 309.366 2.543 0 50 DFAA CCOc1ccccc1NC(=S)N1CCC2(CC1)OCCO2 13784724 BHCCBWRFMHUFFJ-UHFFFAOYSA-N 322.430 2.621 0 50 DFAA C[C@@H](CN1CCS(=O)CC1)c1ccc(C(F)(F)F)cc1 337261028 XMUQPZAAVCCWJF-NSHDSACASA-N 305.365 2.873 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 378625009 OMPGOXRYOMAMOF-LLVKDONJSA-N 302.296 2.742 0 50 DFAA Cc1scc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c1C 263175909 ZEFSJZSZPPAKKU-LBPRGKRZSA-N 321.320 2.844 0 50 DFAA NC(=O)[C@@H]1CCCC[C@H]1NCc1nc2ccccc2n1C(F)F 131043390 YJFGHHDQCWSTRW-GHMZBOCLSA-N 322.359 2.565 0 50 DFAA Cn1c(Sc2ccncc2)nnc1[C@H](N)Cc1ccccc1 426551749 DQFQMFZOFLXWIU-CQSZACIVSA-N 311.414 2.604 0 50 DFAA CN(CCCc1nccn1C)C(=O)c1cccc2cccnc12 426584154 WLNUETINQLUTOQ-UHFFFAOYSA-N 308.385 2.673 0 50 DFAA CCc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 180300204 NSVRZFVVIVFSET-UHFFFAOYSA-N 309.391 2.730 0 50 DFAA O=C(NC[C@@H](O)C1CCCCC1)c1ncccc1C(F)(F)F 180404714 JUBCUOGGKHAXJP-GFCCVEGCSA-N 316.323 2.771 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)Cc2ccc(Cl)nc2)n(C)n1 91574148 OXVQBQXQDGGANM-UHFFFAOYSA-N 320.824 2.939 0 50 DFAA CN(c1ccccc1)[C@@H]1CCN(C(=O)CCc2cccnc2)C1 619992855 YCQZUYZHLZMFIE-GOSISDBHSA-N 309.413 2.752 0 50 DFAA CC(C)(CN[C@H]1CCCS(=O)(=O)C1)c1ccccc1Cl 182797639 NVKQMIQDMXSNDU-LBPRGKRZSA-N 315.866 2.784 0 50 DFAA CNc1nc(C)cc(C(=O)N2CC(C)(C)Oc3ccccc32)n1 297853502 PXRHHKLXSCLZSG-UHFFFAOYSA-N 312.373 2.645 0 50 DFAA CC(C)c1noc(C2CCN(Cc3nncn3C(C)C)CC2)n1 252483742 FHPQHFDQWLVDAK-UHFFFAOYSA-N 318.425 2.745 0 50 DFAA CC(C)[C@@H](NC(=O)CCc1cc(Cl)no1)c1nccn1C 534673838 NVSOFSLVDMJPAJ-CYBMUJFWSA-N 310.785 2.508 0 50 DFAA CC(C)(C)OC[C@@H](CC(=O)O)NC(=O)OCc1ccccc1 138158947 RQYKDNXKJSUJDG-CYBMUJFWSA-N 309.362 2.571 0 50 DFAA CCc1nccn1C[C@@H](C)NCc1noc(-c2cccs2)n1 823557049 AADJVGIFOGILSC-LLVKDONJSA-N 317.418 2.735 0 50 DFAA O=C(c1cccc2cc[nH]c12)N(CCO)Cc1ccc(F)cc1 952966105 VMYGSXBSAWEFTB-UHFFFAOYSA-N 312.344 2.942 0 50 DFAA Cn1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cn1 221867822 ZHAVAMIIMOTLAR-HZPDHXFCSA-N 303.406 2.881 0 50 DFAA COc1ccc([C@H]2CCCN2C(=O)CC[C@H](C)O)cc1OC 170091339 NTNCYLQJLJQESH-GXTWGEPZSA-N 307.390 2.528 0 50 DFAA Cc1cccc(NC(=O)NC2(C(N)=O)CCC(C)(C)CC2)c1 170619836 DWOWJCMQLCTRRF-UHFFFAOYSA-N 303.406 2.941 0 50 DFAA Cn1cccc1[C@H]1COCCN1C(=O)Nc1cccnc1Cl 170613488 IXIIVXBWNSJFNE-CYBMUJFWSA-N 320.780 2.679 0 50 DFAA Cc1cc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c(C)o1 279303372 LTYUQVMNOPORRL-LBPRGKRZSA-N 303.362 2.776 0 50 DFAA Cc1ccc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)s1 275546385 ZZSXKTMGBLEIMZ-LLVKDONJSA-N 321.402 2.777 0 50 DFAA O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)[C@H]1Cc2ccccc21 739370965 YTTXUUZKPXAURG-WFASDCNBSA-N 317.291 2.547 0 50 DFAA Cc1nccn1Cc1cc2c(cc1Br)OCCO2 193267878 XXMXONWKGCMCOC-UHFFFAOYSA-N 309.163 2.774 0 50 DFAA Cc1occc1CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 651875199 WVNWZNVKXCYTTF-GOSISDBHSA-N 310.397 2.794 0 50 DFAA C[C@]1(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CCCCN1 655501191 RUCQMJICFFYUCA-MRXNPFEDSA-N 318.808 2.996 0 50 DFAA CON1CCC(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1 585131392 UOKITOAGJORRAQ-CXAGYDPISA-N 302.418 2.700 0 50 DFAA CCn1cc(Br)c(C(=O)N(C)Cc2ccccc2)n1 614300 YKMVOCYJKBOZRO-UHFFFAOYSA-N 322.206 2.938 0 50 DFAA CCCC[C@@H]1C=CCN1C(=O)c1coc(CN2CCOCC2)c1 1506426668 UHZKEIMGKZXZPD-MRXNPFEDSA-N 318.417 2.683 0 50 DFAA Cc1nc(O)c(C(=O)N(Cc2ccncc2)C2CC2)c(C)c1C 1506398636 OLJIUKILXHOQJP-UHFFFAOYSA-N 311.385 2.912 0 50 DFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cc(F)cc(F)c3)C2)N1CC1CC1 212010900 IYKNHBBEAYNPOP-PBHICJAKSA-N 320.383 2.798 0 50 DFAA Cc1nc2ccc(C(=O)N3C[C@H](C)[C@@](O)(C(C)C)C3)cc2o1 222210364 SAZHXTCZKNGRCB-GTNSWQLSSA-N 302.374 2.615 0 50 DFAA COc1cc(CNCCN(C)C)ccc1OCc1cccs1 19872282 VOKSGUICMQYAAD-UHFFFAOYSA-N 320.458 2.987 0 50 DFAA Fc1ccc(Cc2noc(-c3nc(-c4ccncc4)no3)n2)cc1 169772012 RSTLIUJFAXDMFP-UHFFFAOYSA-N 323.287 2.912 0 50 DFAA CCCn1nc([C@@H]2CCOC2)nc1-c1nc2ccccn2c1C 1857670792 CFCRSZFHQRVFRV-CYBMUJFWSA-N 311.389 2.815 0 50 DFAA CC(C)Nc1ccc(-n2ccnc2-c2cnn3cccnc23)cn1 1857686649 AUPHIYVEUZWEIS-UHFFFAOYSA-N 319.372 2.797 0 50 DFAA Cc1ncsc1CN1CCC2(CC1)C[C@H](O)C[C@H](C(C)C)O2 1857709770 QPCCDSWXNFZZJO-HUUCEWRRSA-N 324.490 2.982 0 50 DFAA CCC[C@@]1(CO)CN(c2cc(C)c3ccccc3n2)CC[C@H]1O 1857739351 JCZNJNFZXMZXHU-MJGOQNOKSA-N 314.429 2.893 0 50 DFAA CN1CCc2cc(-c3ccc4nc(O)cc(C(=O)O)c4c3)cnc21 1875244703 QIHYRFJYVZAZNI-UHFFFAOYSA-N 321.336 2.693 0 50 DFAA COc1ccc(CN(C)c2ccc3nccnc3n2)c(OC)c1 301082942 FUWDEMIKEBLLON-UHFFFAOYSA-N 310.357 2.678 0 50 DFAA CCCC(=O)NC[C@H](NC(=O)CCC)[C@H](C)c1ccccc1 408516177 VOSYMVFPMDLPTG-ZBFHGGJFSA-N 304.434 2.991 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2C(=O)O)c1 237707904 ZGLMZJJTXHDQNG-OAHLLOKOSA-N 305.374 2.620 0 50 DFAA CN[C@H]1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 133418517 AKXHLHGXLZYZRV-ZDUSSCGKSA-N 303.793 2.712 0 50 DFAA CN(CC1CC1)c1ccc(S(C)(=O)=O)cc1C(F)(F)F 253419396 RRRPCASMYJJRBA-UHFFFAOYSA-N 307.337 2.955 0 50 DFAA O=C(O)CC[C@H]1Cc2ccccc2N(C(=O)c2ccccn2)C1 902825345 LKTZFVWAXAQBRO-ZDUSSCGKSA-N 310.353 2.766 0 50 DFAA Cc1cnc(CNC(=O)c2ccccc2CCC(=O)O)c(C)c1 910996261 AIMWHNHOWBKUCQ-UHFFFAOYSA-N 312.369 2.646 0 50 DFAA COc1cc(OC)c2c(c1)N(C(=O)[C@@H](F)C(F)(F)F)CCC2 862775638 MEWBRCBMKMLTBK-GFCCVEGCSA-N 321.270 2.883 0 50 DFAA O[C@H](CN[C@@H]1C[C@@H]2COC[C@@H]21)c1cc(Cl)cc(Cl)c1 952992863 FDRYKMIKCMBJJB-GJQVQUKXSA-N 302.201 2.651 0 50 DFAA Cc1ncn(C)c1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1875260687 TYDYNJXILADNSX-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[C@@H]2C[C@]21C(=O)O 1875310820 DFPBVENYQHBAPR-ZLENFMNRSA-N 319.405 2.536 0 50 DFAA COc1cccc(Cl)c1-c1nnc([C@]2(OC)CCOC2)o1 886082174 HIQVYMYEJACKMD-AWEZNQCLSA-N 310.737 2.661 0 50 DFAA Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNc1nccs1 893327734 OBUJARVRHWWCIO-RYUDHWBXSA-N 310.398 2.772 0 50 DFAA COc1ccccc1O[C@@H]1CCCN(c2ccncc2CO)C1 893844030 ZVIRBOGNABWWGG-OAHLLOKOSA-N 314.385 2.630 0 50 DFAA Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C(=O)O)cc1F 2325873711 QUCRZFSYUZHHSI-GDBMZVCRSA-N 313.328 2.862 0 50 DFAA O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1n[nH]c2ccccc12 134509502 UUDJLCPVSBFCAI-WFASDCNBSA-N 301.390 2.624 0 50 DFAA CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2 145593 PICJLLZKNYTTAK-UHFFFAOYSA-N 315.325 2.832 0 50 DFAA COc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 617698 XKXZPXNZOTWXND-AWEZNQCLSA-N 324.380 2.995 0 50 DFAA Cc1nnc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)o1 2356143117 VRLXTZBTKUAHDW-UHFFFAOYSA-N 324.384 2.928 0 50 DFAA Cc1cc(C)c2c(NC(=O)CCc3cc(Cl)no3)n[nH]c2n1 2356148516 CBUJECKFCYEALB-UHFFFAOYSA-N 319.752 2.787 0 50 DFAA C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2 414051281 JEEWGUYAIZVIDM-PBHICJAKSA-N 314.433 2.910 0 50 DFAA CO[C@H](c1ccccc1)[C@H](C)NCCCCn1ccccc1=O 225621419 SJNDYJDOXOILSV-LPHOPBHVSA-N 314.429 2.994 0 50 DFAA O=C(NCc1cccs1)NCc1ccccc1-n1ccnc1 55087960 QBCXWZXKTLVKAI-UHFFFAOYSA-N 312.398 2.933 0 50 DFAA O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1[C@H]2CCC[C@H]21 246379409 OQPGFKJQNKRIPS-LJISPDSOSA-N 318.804 2.608 0 50 DFAA Cc1ccc(Cc2c(O)[nH]c3nc4ccccc4n3c2=O)cc1 100128695 TUZTWEZSWUGFSJ-UHFFFAOYSA-N 305.337 2.781 0 50 DFAA O=S(=O)(NCCCc1ccc(F)cc1)c1ccc(F)cc1 10543318 GRKDPZYMCVZYSV-UHFFFAOYSA-N 311.353 2.876 0 50 DFAA COc1ncccc1-c1noc(-c2ccc(-c3nc[nH]n3)cc2)n1 346064323 IWEKAFNFWDKJBZ-UHFFFAOYSA-N 320.312 2.592 0 50 DFAA CCOc1ccc(-c2noc(CN3C[C@H](C)OC[C@H]3C)n2)cc1 248380016 ORHABBUFSMVTBN-OLZOCXBDSA-N 317.389 2.745 0 50 DFAA COc1ccccc1NC(=O)[C@@H](C)NC(=O)C1CCCCC1 67321089 YOZQVPHBGGQGLY-GFCCVEGCSA-N 304.390 2.719 0 50 DFAA CC1(C)C(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1(C)C 348548751 AHIGRCYHGJXGLQ-ZDUSSCGKSA-N 300.402 2.832 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(OC)cc1 249692813 NEYDXQISSYVBMW-IAGOWNOFSA-N 302.418 2.784 0 50 DFAA CN1CCCC[C@H]1CCSc1nncn1CC(F)(F)F 253416135 WOHOHWDQDHBXIG-JTQLQIEISA-N 308.373 2.807 0 50 DFAA O[C@@](Cc1ccccc1F)(Cn1cncn1)c1ccc(F)cc1 23634631 CZPVZNBNSRXZJZ-KRWDZBQOSA-N 315.323 2.687 0 50 DFAA COc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccccn2)c1 67921934 RCPATGIPJSZYLF-IBGZPJMESA-N 320.396 2.961 0 50 DFAA C[C@@H]1CCN(Cc2ncnn2-c2ccccc2)C[C@H]1n1ccnc1 253396994 SPGRBYHMIVNJFD-NVXWUHKLSA-N 322.416 2.547 0 50 DFAA CN1Cc2cc(NS(=O)(=O)c3ccsc3)ccc2NC1=O 350896596 NJOKRWJIYSVWOQ-UHFFFAOYSA-N 323.399 2.526 0 50 DFAA C[C@H]1CN(CC(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 229469842 YGFDZIMIYUYXIH-LSDHHAIUSA-N 312.413 2.738 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCCC[C@H]2CC(N)=O)o1 252467622 WJNVGCXQALFSHK-QOHBWPIKSA-N 316.401 2.673 0 50 DFAA CCOC(=O)[C@@H](C)Sc1nc(-c2ccccn2)ncc1OC 1381790 UVIKNMFADQPIFM-SNVBAGLBSA-N 319.386 2.591 0 50 DFAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[C@@H](N2CCCC2)C1 229889429 IZJSOJSVEJALPG-IXDOHACOSA-N 302.393 2.626 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]2O)cc1 252675857 VHMIKAKPZKLXAS-DUVNUKRYSA-N 306.406 2.607 0 50 DFAA CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(NC)ccc1Cl 425263089 TWWYQIAFHCVLOA-LLVKDONJSA-N 324.730 2.767 0 50 DFAA Cc1cc2nc(C(C)C)cc(NCCN3CCCCC3=O)n2n1 72428544 YFJQOLLTVLUMBR-UHFFFAOYSA-N 315.421 2.586 0 50 DFAA COCc1cc(C(=O)Nc2ccc3nc(S)oc3c2)no1 158386298 JPSBKAPOZZERMU-UHFFFAOYSA-N 305.315 2.503 0 50 DFAA COC(=O)CCN(C(=O)c1ccc(C)o1)c1cccc(F)c1 154190000 LBFXVKBWLPXCLP-UHFFFAOYSA-N 305.305 2.937 0 50 DFAA Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1ccc(C)o1 331944485 GWFNCTSAUQAIAV-GFCCVEGCSA-N 307.371 2.873 0 50 DFAA Cc1cc(C)c(NC(=O)CN(C)CC2=CCCOC2)c(C)c1 158450097 WLNVCYDJRVNCAE-UHFFFAOYSA-N 302.418 2.829 0 50 DFAA CCOc1ccc(C(=O)N2CCCC[C@H]2CCN)cc1OCC 261720771 LXEDRAZFGDAPLG-HNNXBMFYSA-N 320.433 2.828 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(C(=O)O)cc1F 261933587 LPVFYXLTRZPRLB-QMMMGPOBSA-N 319.336 2.616 0 50 DFAA CN(C)C[C@]1(CO)CCCN(Cc2cc3ccccc3o2)C1 216104738 HWXIPISXONOAAA-GOSISDBHSA-N 302.418 2.569 0 50 DFAA CCc1nc(C(C)C)ccc1CN1CCC2(CC1)COC(=O)N2 495589745 AYYPWJIGYQTQFL-UHFFFAOYSA-N 317.433 2.842 0 50 DFAA CC[C@@H](NC(=O)Nc1c[nH]nc1-c1nccs1)[C@H]1CCCO1 333504442 DEMVCRQKNKNXLH-MWLCHTKSSA-N 321.406 2.612 0 50 DFAA C[C@H](C(=O)Nc1ccccc1CC(=O)O)N1CCCCCC1 237392760 LRDKWLQPUFTKOD-CYBMUJFWSA-N 304.390 2.517 0 50 DFAA Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@H](C(=O)O)C3)c2c1 237860404 NDOYVORYEOILKK-AWEZNQCLSA-N 314.385 2.732 0 50 DFAA COCc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1ccco1 449880518 PBGFOENLFOYIOR-CQSZACIVSA-N 303.362 2.527 0 50 DFAA CCc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)nc(C)n1 174217455 KGZROMJMYNLYGZ-MGPLVRAMSA-N 313.357 2.514 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2c(C)coc2C)c1 284947433 JABVMEJPFGMDBE-HOCLYGCPSA-N 315.369 2.853 0 50 DFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 241897402 TYLTUEZLBWWTNC-DRRXZNNHSA-N 309.450 2.903 0 50 DFAA Cc1ccc(C)c(CC(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1 379168574 ZZZCSIQQTKSVOT-ZIAGYGMSSA-N 314.351 2.727 0 50 DFAA CCCc1cc(C(=O)NC[C@H](c2cccnc2)C(C)C)[nH]n1 176330106 CCTPQBJKVBBCKF-HNNXBMFYSA-N 300.406 2.927 0 50 DFAA O=C(N[C@@]12CCCN(CC1)C2)c1cnc(-c2ccccc2)s1 1438607179 KNMWTCPIJLFHEO-KRWDZBQOSA-N 313.426 2.778 0 50 DFAA Cc1nc(C(=O)N(C)CC2(c3ccccc3)CC2)ccc1C(=O)O 263574314 NLOYIJWWEUWTHZ-UHFFFAOYSA-N 324.380 2.892 0 50 DFAA CCCc1nnsc1C(=O)N[C@@H]1COC2(CCCCC2)C1 426490002 GPIXLFBZXYQAFA-NSHDSACASA-N 309.435 2.712 0 50 DFAA CCC[C@@H]1CN(Cc2cc(=O)c3ccccc3[nH]2)C[C@H]1N(C)C 95520948 HAWZKXJVHXHMNF-RDTXWAMCSA-N 313.445 2.690 0 50 DFAA COc1cc(I)cc(C(F)(F)F)n1 238363438 KYEAZOZLJMGIJG-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA CCCOCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95386217 MHDTZVOQBCARKY-HNNXBMFYSA-N 305.374 2.517 0 50 DFAA CCc1cc(-c2cc(F)ccc2OC)nc(N2CCOCC2)n1 97744668 MFIBXQAVCHLLGV-UHFFFAOYSA-N 317.364 2.690 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@H](C(=O)O)C1 236882974 VGRHCYZBRWEKKK-OLZOCXBDSA-N 305.374 2.512 0 50 DFAA CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(F)ccc1C)CC2 180193784 FGAXHXUIWLSKIJ-IAGOWNOFSA-N 307.409 2.886 0 50 DFAA CC[C@]1(C(=O)O)CCCN(C(=O)CCc2ccc(OC)cc2)C1 91934065 LHRBURNXLUOEJC-SFHVURJKSA-N 319.401 2.731 0 50 DFAA O=C(CCc1cccnc1)NCC1(c2ccccc2)CCOCC1 244898890 ZDKNWVXISBEVAJ-UHFFFAOYSA-N 324.424 2.879 0 50 DFAA C[C@@]1(C(=O)O)CCCCN1C(=O)CCCC(=O)c1ccccc1 240824910 QLVZYYONKWSXGO-SFHVURJKSA-N 317.385 2.895 0 50 DFAA O[C@@H](CN1CCC(OCc2ccccn2)CC1)c1ccccc1 252484009 FMBZHROKNCIPAR-IBGZPJMESA-N 312.413 2.796 0 50 DFAA O=C(NC[C@H]1CCCN1CC(F)F)c1coc2ccccc12 628622345 JIOBIISWYYZNGB-LLVKDONJSA-N 308.328 2.892 0 50 DFAA CN1CCC(NC[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 534631899 XYLMJRKXLABDEL-CQSZACIVSA-N 307.869 2.850 0 50 DFAA O=C1CC[C@H](NCc2cscn2)CCN1Cc1ccccc1 534576006 JOVHQWZWBLMRGL-HNNXBMFYSA-N 315.442 2.814 0 50 DFAA COCc1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 268950751 SQOHCXXWOWCERX-IMJJTQAJSA-N 317.385 2.691 0 50 DFAA O=C(O)CCc1nc2ccccc2c2nc(-c3ccco3)nn12 408525786 IDFSOFRQFORORF-UHFFFAOYSA-N 308.297 2.555 0 50 DFAA C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCO1 271902045 WVCDKZRESICNMV-NXHRZFHOSA-N 316.445 2.582 0 50 DFAA CC[C@@H]1CCCC[C@H]1N1CCC(NC(=O)C2CCOCC2)CC1 170086843 PHYRNVCQZCFINJ-CRAIPNDOSA-N 322.493 2.962 0 50 DFAA COCc1nsc(NC(=O)c2csc3c2CCCC3)n1 273178779 FWEWGWOAVHOUGQ-UHFFFAOYSA-N 309.416 2.877 0 50 DFAA Cc1ccc([C@@H](C)N(C)c2nc(N)c3cnn(C)c3n2)c(C)c1 278475418 UWNRQFVJROFLNP-GFCCVEGCSA-N 310.405 2.760 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)CCc1ccc(F)c2c1CCCC2 630172920 PRZASUZKOCNNOM-MRXNPFEDSA-N 319.376 2.713 0 50 DFAA C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1 633138605 QSBJUTQBQHTHTE-CMPLNLGQSA-N 307.346 2.624 0 50 DFAA O=C(NCC1(CO)CCCC1)c1cc(F)cc2cccnc12 187012362 YDVKLOVOBIVSKO-UHFFFAOYSA-N 302.349 2.656 0 50 DFAA Cn1c(=O)oc2ccc(N[C@H]3CCc4cccnc4CC3)cc21 585087391 PESPHVBNZOBWER-ZDUSSCGKSA-N 309.369 2.886 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCN32)cc1 585121916 GCDJGCPSTSDFPR-ROUUACIJSA-N 315.461 2.746 0 50 DFAA CCc1ccc([C@@H]2CCN(C(=O)CCc3nnc(C)o3)C2)cc1 635958546 YGFVOUGPNXFHBY-MRXNPFEDSA-N 313.401 2.889 0 50 DFAA O=C(N[C@@H]1CCC[C@@H]1CCO)c1cc(F)cc2cccnc12 189104047 PBFYHQITQKYIGC-IAQYHMDHSA-N 302.349 2.655 0 50 DFAA CC(=O)NC(C)(C)c1noc(CCc2ncc(C(C)(C)C)o2)n1 193938982 GZIPZSKUWVMZDP-UHFFFAOYSA-N 320.393 2.512 0 50 DFAA Cc1nc(C[S@](=O)c2ncccc2Br)cs1 194689843 DKJLGIHHAJNGLL-INIZCTEOSA-N 317.233 2.917 0 50 DFAA c1ccc2c(CN3CCC(Cn4cnnc4)CC3)nsc2c1 660919274 XKYURCHNOHKITB-UHFFFAOYSA-N 313.430 2.800 0 50 DFAA CC[C@@H](NC(=O)c1nc2c(s1)CCCC2)c1nc(C)no1 1506408996 USBQZLHXCGHKKO-SECBINFHSA-N 306.391 2.594 0 50 DFAA CCCn1nc(C)c(NC(=O)c2ccc(CCN)cc2)c1C 1529152965 NUQSNKYBZMYFKB-UHFFFAOYSA-N 300.406 2.663 0 50 DFAA CCOC(=O)C1CCN(C(=O)/C=C/c2ccccc2OC)CC1 469052 NWTDEGSTCQKIPL-CMDGGOBGSA-N 317.385 2.510 0 50 DFAA CCOCCCNC(=O)Cc1cccc(Br)c1 5592889 IRQGZOXCWZPPOU-UHFFFAOYSA-N 300.196 2.534 0 50 DFAA CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C(C)C 13479937 PTXBPUUJMSUZRB-UHFFFAOYSA-N 302.374 2.684 0 50 DFAA Cc1cc(OC(C)(C)C(=O)N2CCN(C)CC2)ccc1Cl 13744732 PTJLEXLSVJDSAW-UHFFFAOYSA-N 310.825 2.580 0 50 DFAA O=C1NC[C@H](NCc2cccs2)n2nc(-c3ccccc3)cc21 169754477 DOSBELAQHNXUOB-MRXNPFEDSA-N 324.409 2.643 0 50 DFAA CC(C)COc1cccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)c1 1857669224 HAFJZJWMAAUNFO-PKOBYXMFSA-N 319.445 2.552 0 50 DFAA CN1CCO[C@H](Cn2ccnc2-c2cc(Cl)ccc2F)C1 1857672042 GCWGISLEDNJNLM-LBPRGKRZSA-N 309.772 2.673 0 50 DFAA CCSCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857681450 FUDHMURJHUVAPJ-JZXOWHBKSA-N 319.470 2.724 0 50 DFAA CC(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 408474442 XFVCAXLENMOMIZ-NVXWUHKLSA-N 319.449 2.577 0 50 DFAA C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)nc1 237388636 USXSDFXHXFVJGD-JTQLQIEISA-N 304.371 2.545 0 50 DFAA CCc1cc2c(N3CC[S@](=O)CC[C@H]3C)ncnc2s1 241961282 UQZLYTBPCPRHBG-CFMSYZGJSA-N 309.460 2.601 0 50 DFAA Cc1ccc(OC(F)F)c(CNC(=O)C2(NC3CC3)CCC2)c1 662639484 CCEMGPBPAGYULS-UHFFFAOYSA-N 324.371 2.887 0 50 DFAA O=C(O)[C@@H]1CCCN1Cc1csc(CCc2ccccc2)n1 262179815 WPYKSRFWSKPWAP-HNNXBMFYSA-N 316.426 2.977 0 50 DFAA CC[C@H](NC(=O)c1cc2ccccn2c1)C(=O)OC(C)(C)C 592721673 XVACDKYXNGMDPD-AWEZNQCLSA-N 302.374 2.789 0 50 DFAA COCc1ccccc1C(=O)NCC1(O)CCC(C)(C)CC1 387696226 LBAWSFFAWUMDIJ-UHFFFAOYSA-N 305.418 2.894 0 50 DFAA CN(C(=O)c1cncc(-c2cnn(C)c2)c1)C1(C(F)(F)F)CC1 906224076 RRXDVCXNRWXEQM-UHFFFAOYSA-N 324.306 2.649 0 50 DFAA COc1cnc(NC(=O)N[C@@H](c2ccncc2)C2CC2)s1 931286067 WAWYBKWOXMPMKH-GFCCVEGCSA-N 304.375 2.820 0 50 DFAA Cn1nc2c(c1NC(=O)c1ncc(F)c3ccccc13)CCC2 1875357417 GJOXIYLJTDEIQD-UHFFFAOYSA-N 310.332 2.848 0 50 DFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(-c3ccncc3)c2)cn1 1875380841 BUYCATXQTWNKJJ-MBSDFSHPSA-N 320.396 2.745 0 50 DFAA CCOc1ccc2c(c1)[C@H](NC(=O)c1n[nH]cc1Cl)CCO2 1775985431 YWWRVIGZMFEUSK-GFCCVEGCSA-N 321.764 2.715 0 50 DFAA COc1cc(C(=O)NCc2ccccc2F)cc(OC)c1OC 36037 NPYXCDCIMZOCKH-UHFFFAOYSA-N 319.332 2.782 0 50 DFAA biogenic Cc1cc(-c2nn3c(-c4cccs4)nnc3s2)n(C)n1 32072084 RHPXAKZRMGOUHG-UHFFFAOYSA-N 302.388 2.623 0 50 DFAA CC(=O)c1ccc(OC[C@H](O)CSc2ccccn2)cc1 11692568 NKJUHJLRKSNMAM-AWEZNQCLSA-N 303.383 2.816 0 50 DFAA O=C1CN(Cc2cc(O)c3ccsc3c2)[C@H]2CCCC[C@H]2N1 2325738706 NHDVEIATMMGEPN-KGLIPLIRSA-N 316.426 2.850 0 50 DFAA Cc1nc2c([nH]1)C[C@@H](NC(=O)c1cnc3sccc3c1)CC2 2325781351 HRHHJYBSXVSIRL-LBPRGKRZSA-N 312.398 2.615 0 50 DFAA Cn1c(C(=O)Nc2n[nH]c(C(C)(C)C)n2)cc2ccsc21 2325818289 KAAUBGYTLIQVNN-UHFFFAOYSA-N 303.391 2.908 0 50 DFAA C[C@@H](NC(=O)Nc1cnn2cccnc12)c1c(F)cccc1F 2325818793 ZNVABPJHWHPIOA-SECBINFHSA-N 317.299 2.890 0 50 DFAA COc1cc2c(-c3ccc4c(c3)CC(=O)N4C)cn(C)c2cn1 2325865124 NWJBECASPIIXKK-UHFFFAOYSA-N 307.353 2.768 0 50 DFAA O=C(Nc1ccccc1I)c1cccnc1 241572 SLDQIJUBNMLSPO-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA COc1ccc2c(c1)C[C@@H](Nc1ccc3c(c1)OCC(=O)N3)CC2 133020617 DDVBDOQXMXLIJC-AWEZNQCLSA-N 324.380 2.996 0 50 DFAA O=C(O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 3181284 QWYQADXOPOXONA-UHFFFAOYSA-N 317.366 2.526 0 50 DFAA O=C(O)c1cc(Cl)c(Cl)cc1C(=O)NC[C@@H]1CCCO1 4802437 TYEZCOSSDNTRIX-ZETCQYMHSA-N 318.156 2.600 0 50 DFAA COCc1nn(-c2ccc(C(=O)O)cc2)c(N)c1-c1ccccc1 4806364 CLHZQMZFJOYYQW-UHFFFAOYSA-N 323.352 2.966 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1 6730983 FUPHKWISZAZQMD-ZDUSSCGKSA-N 304.390 2.534 0 50 DFAA Cc1ccc(CSCC(=O)NCCCN2CCCC2)cc1 10450011 XANYFDXKLAYLAB-UHFFFAOYSA-N 306.475 2.830 0 50 DFAA CN1CC[C@@H](NCC2=CCCOC2)[C@H]1c1ccc(F)c(F)c1 245702025 RAIGBJSGLFNLTQ-IAGOWNOFSA-N 308.372 2.646 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 136142387 WRNZIKZSMRSUMW-GFCCVEGCSA-N 303.358 2.555 0 50 DFAA COc1ccc2c(ccn2CC(=O)NCCc2ccc(O)cc2)c1 20761521 DUYDHFMXIHWWOQ-UHFFFAOYSA-N 324.380 2.714 0 50 DFAA biogenic COCCN(Cc1ccc(OC)nc1)Cc1ccccc1F 55385463 DHLVMVWQSMPAPL-UHFFFAOYSA-N 304.365 2.878 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(OC)cc1F 249680120 AIPQPEMEMAHIPB-DLBZAZTESA-N 320.408 2.923 0 50 DFAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)NCC(C)(C)c2ccccc2)C1 422592396 SSKOZCBSHMVKLE-ZIAGYGMSSA-N 318.417 2.716 0 50 DFAA COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1C 20398230 UNNXTJRHLLKAPE-UHFFFAOYSA-N 312.369 2.681 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](C)n1ncc2ccccc2c1=O 65363377 RKVMCBRCXUBIGA-CYBMUJFWSA-N 307.353 2.905 0 50 DFAA Oc1ccc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)c(F)c1 436954921 IWVVCWTUUZPLEF-ZDUSSCGKSA-N 314.316 2.727 0 50 DFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CCCCC2)C[C@@H](C)O1 229766981 ORIFNUMBOWWDTF-BFYDXBDKSA-N 323.481 2.602 0 50 DFAA CC(C)[C@@H](CO)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 32507894 QBCQNCNIQUXKHE-CMPLNLGQSA-N 306.431 2.772 0 50 DFAA Cc1noc(C)c1CNc1nccn2nc(C(F)(F)F)cc12 317528226 UCOJPOBKEVJTEX-UHFFFAOYSA-N 311.267 2.965 0 50 DFAA CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 7455 RZJQGNCSTQAWON-UHFFFAOYSA-N 314.362 2.558 0 50 DFAA biogenic,world Brc1ccc(OC[C@@H]2CO2)c(Br)c1 1849776 NFWLWLQSZIJYFR-ZETCQYMHSA-N 307.969 2.989 0 50 DFAA in-vitro Cc1noc(-c2ccc(NCCCOc3cccnc3)nc2)n1 39478954 WCFUDVBWETZQIV-UHFFFAOYSA-N 311.345 2.716 0 50 DFAA C=CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC 328596953 BUVVOVYXARBYAC-RHSMWYFYSA-N 301.434 2.635 0 50 DFAA COc1cc(C)c(CN2CCC[C@@H](NC(C)=O)C2)c(C)c1C 215104788 DALWMFXKRLFSCS-MRXNPFEDSA-N 304.434 2.721 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C)c1 126272846 NVNHBMXHUGWWTC-HUUCEWRRSA-N 322.474 2.515 0 50 DFAA C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2C[C@@]23CCNC3)C1 444210832 ITNVAKYLYDYEOF-YZGWKJHDSA-N 312.457 2.857 0 50 DFAA Cc1n[nH]cc1C1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 375355344 OQAAOLROGVIXCH-ZIAGYGMSSA-N 318.465 2.687 0 50 DFAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccc2ccoc12 333269028 CDXDDEZDDGUXAQ-CQSZACIVSA-N 322.430 2.538 0 50 DFAA CC[C@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)O 237031481 WZGWFYJTFVXIMM-SKDRFNHKSA-N 317.307 2.863 0 50 DFAA Cc1n[nH]cc1C1CCN(C(=O)c2conc2C2CC2)CC1 375834964 QEWKTYIYDGVLIV-UHFFFAOYSA-N 300.362 2.603 0 50 DFAA Cc1cccc(OCC(=O)N2CCCC[C@@H]2CCC(=O)O)c1 237696266 CRZHBUCGIQMSDJ-CQSZACIVSA-N 305.374 2.620 0 50 DFAA Cc1ncsc1CCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77460079 HGRSTXQHHNGADD-LBPRGKRZSA-N 304.419 2.513 0 50 DFAA CCc1[nH]c2c(CNC(=O)[C@@H]3CCOC3)cc(F)cc2c1C 71750239 BDLBHMGVOLROTG-LLVKDONJSA-N 304.365 2.831 0 50 DFAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccn[nH]1)CCCC3 17054718 PNGWELOZUQJAHM-UHFFFAOYSA-N 318.427 2.771 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 177470182 LDCPQPVAECDATD-NVXWUHKLSA-N 323.348 2.515 0 50 DFAA NC(=O)c1csc(C(=O)Nc2ccc3nc(S)oc3c2)c1 160753811 YIIXAFMTGMRWEU-UHFFFAOYSA-N 319.367 2.529 0 50 DFAA CC1(C)CN(C(=O)Nc2cccc(C(N)=O)c2)[C@H]1c1cccnc1 291547105 ATRLXWNGNOLIGG-HNNXBMFYSA-N 324.384 2.796 0 50 DFAA O=C1CC[C@@]2(CCOC2)CN1CCOCc1ccc(Cl)cc1 91952132 GFWOTKXVZNCSBT-QGZVFWFLSA-N 323.820 2.886 0 50 DFAA O=C(C[C@@H]1CCNC1)NCCSCc1cccc(Cl)c1 97815515 DMGNIEADHOPMOU-LBPRGKRZSA-N 312.866 2.689 0 50 DFAA Cc1cccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1C 239274669 ANPKQPKERIPPSY-RIMFYDMWSA-N 322.408 2.726 0 50 DFAA OCC[C@H](CNc1ncnc2c1ncn2C1CC1)c1ccccc1 292650253 GNGOKWJGEIFMIO-CQSZACIVSA-N 323.400 2.739 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](N)C2)c2cc(Cl)ccc2n1 96141286 SPOVSWNTSSTWBO-GFCCVEGCSA-N 303.793 2.760 0 50 DFAA CC(C)(C)n1ccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)c1 95361692 KXHDUZWZHYFLFW-OAHLLOKOSA-N 314.433 2.992 0 50 DFAA C[C@H](NC(=O)CSCC1CC1)c1nncn1C1CCCC1 244874571 XDIXGIZOZUFTFY-NSHDSACASA-N 308.451 2.714 0 50 DFAA COc1cccc(-c2ccc(C(=O)N3C[C@@H]4CCN[C@@H]4C3)cc2)c1 252501701 UIAOGGFYQAQDHG-PKOBYXMFSA-N 322.408 2.796 0 50 DFAA c1ccc(CN2CCC(NCC3(Cn4ccnc4)CC3)CC2)cc1 534657589 XBAXCBVIGSRUGW-UHFFFAOYSA-N 324.472 2.918 0 50 DFAA Cc1ccc2nc(CNC(=O)C[C@H]3CCCOC3)[nH]c2c1C 534590087 OJSKKZRNJDIZOL-CYBMUJFWSA-N 301.390 2.613 0 50 DFAA CC[C@@H]1C=CCN1C(=O)Nc1ccc(CN2CCOCC2)cc1 299790313 BBFWEWDLQDVHLB-QGZVFWFLSA-N 315.417 2.701 0 50 DFAA CC(C)c1cc(CN(C)C(=O)[C@H]2CC(=O)OC23CCCC3)no1 299783626 WRLMOCPSNCXWOH-CYBMUJFWSA-N 320.389 2.632 0 50 DFAA O=C(Nc1ccc(F)nc1)N1CCCC[C@@H]1CN1CCCC1 299801913 QSDAJAPXLPBLEE-CQSZACIVSA-N 306.385 2.703 0 50 DFAA c1nc(-c2ccc(CNC3CSCCSC3)cc2)no1 670439141 PNDOLHNCLGLMFZ-UHFFFAOYSA-N 307.444 2.675 0 50 DFAA C[C@H](CCn1cccn1)N[C@H]1CCCO[C@@H]1c1ccncc1 275674555 VUMRSEFYHWMAQH-HYVNUMGLSA-N 300.406 2.567 0 50 DFAA Cc1nc(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)nc(O)c1C 408124678 RLPPHKLQSBRMNQ-CWSCBRNRSA-N 323.462 2.784 0 50 DFAA CC(=O)c1ccc(C(=O)N2CCOC3(CCCCC3)C2)cc1O 408410683 WXUDEAYKWUVXQV-UHFFFAOYSA-N 317.385 2.770 0 50 DFAA CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(O)c1 170639753 ICUOWIXJOPWICV-UHFFFAOYSA-N 314.429 2.913 0 50 DFAA Cc1cnccc1CCNC[C@@H](C)CNC(=O)OC(C)(C)C 585116941 MWPGLPJQHASOJC-CYBMUJFWSA-N 307.438 2.683 0 50 DFAA CNC(=O)C(C)(C)CN[C@@H]1CCCSc2ccc(OC)cc21 188298407 CWJARFDEJUKAAK-CQSZACIVSA-N 322.474 2.984 0 50 DFAA COc1ccnc(CN2CCO[C@H](c3ccsc3)C2)c1OC 190690115 MYNMMAFTLAGRRJ-HNNXBMFYSA-N 320.414 2.734 0 50 DFAA CCOC(=O)c1nc(CC)oc1NC(=O)c1ccoc1Cl 192348276 SLJBSLUCVFTUAQ-UHFFFAOYSA-N 312.709 2.912 0 50 DFAA C=Cn1cc(CN[C@H]2CCCN(c3ccccc3F)C2)cn1 194401267 PUSMFVWSLAZJFH-HNNXBMFYSA-N 300.381 2.881 0 50 DFAA CCc1ccc(NC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc1OC 667204372 PTOVYVFADAHZAP-VXGBXAGGSA-N 304.390 2.946 0 50 DFAA CO[C@H](CNC1CCN(C(=O)C2CCC2)CC1)c1cccs1 1506402815 PNQCLVVCODDJNQ-OAHLLOKOSA-N 322.474 2.816 0 50 DFAA CN1CCC(CN[C@H]2CC3C[C@H]4CC2C[C@@H](C3)C4)(N(C)C)CC1 1506406143 FRKRSTAFSWRICM-CWBGTKBPSA-N 319.537 2.817 0 50 DFAA Cc1ccccc1OC[C@H]1CCCN(CCn2cnnc2C)C1 1529151627 KUBKFCOMHOIISK-KRWDZBQOSA-N 314.433 2.686 0 50 DFAA Cc1nnc(CN2CCC([C@H](O)c3cccs3)CC2)s1 1529172016 CWPHQTKFHHSUFT-AWEZNQCLSA-N 309.460 2.854 0 50 DFAA CCn1cnnc1CN(C)CCCOc1ccc(Cl)cc1 1529153419 BDIJKLZKIXELRA-UHFFFAOYSA-N 308.813 2.852 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1cc(Cl)ccc1Cl 237478370 GENBOKAOFKZNCM-SKDRFNHKSA-N 301.217 2.874 0 50 DFAA CCc1nc(-c2ccccc2-c2nccn2C)n([C@H]2CCOC2)n1 1772711800 FZVDVPCBJCCPOC-ZDUSSCGKSA-N 323.400 2.869 0 50 DFAA CCN(CC)C(=O)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 5092847 CICLFNKFCSRHCK-QGZVFWFLSA-N 300.446 2.734 0 50 DFAA CCOC(=O)CSc1nc(-c2ccc(OCC)cc2)n[nH]1 5906639 ISEAOKZLZCEAKV-UHFFFAOYSA-N 307.375 2.526 0 50 DFAA O=C(O)CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 5027387 PTJHUJDSNKALPZ-UHFFFAOYSA-N 318.354 2.804 0 50 DFAA CCc1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1 5934613 YVSZOLQSTVTXFY-AWEZNQCLSA-N 309.369 2.636 0 50 DFAA COc1ccc(-c2ccc(CCC(=O)N3CCOCC3)o2)cc1 11692909 PGXKXXNPBAIORR-UHFFFAOYSA-N 315.369 2.747 0 50 DFAA CC(C)(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 12864855 CRENRHPVKDTJCQ-UHFFFAOYSA-N 302.418 2.588 0 50 DFAA CCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2Cl)CC1 16580657 XBJPOQLBJQFTMO-GFCCVEGCSA-N 310.825 2.708 0 50 DFAA CC(C)(C)c1cn(C[C@@H]2CCCN(CC3CCOCC3)C2)nn1 19788770 XDPIPPCJFGWNQH-MRXNPFEDSA-N 320.481 2.714 0 50 DFAA Cc1cccc2cc(-c3nccn3[C@H]3CCN(C)C3=O)c(O)nc12 1857671302 DMBCBZCTRDOZNV-AWEZNQCLSA-N 322.368 2.516 0 50 DFAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cnc2ccccc2n1 1857678742 QOYMNNPZBRAVJS-ZDUSSCGKSA-N 312.417 2.713 0 50 DFAA O=C(O)Cc1ccc(F)c(-c2ccc([C@H]3CNC(=O)C3)cc2)c1 1875246941 HUQITJJXVXMLLT-CQSZACIVSA-N 313.328 2.723 0 50 DFAA COc1ncc(Cl)c(NCc2cccc(NC(C)=O)c2)n1 301704450 VECVUEMOFDYMJM-UHFFFAOYSA-N 306.753 2.709 0 50 DFAA C[C@@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccccc1 5954480 XHDCLAIZWOHGHB-OCBCSQNSSA-N 301.386 2.986 0 50 DFAA biogenic CN1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)CC1=O 123744152 IEULVIKTCPDUGV-AWEZNQCLSA-N 320.408 2.821 0 50 DFAA O=C(N[C@H]1CC12CCOCC2)N[C@H]1C[C@H](c2ccccc2F)C1 333282012 YBCIQEAOJFRCTI-XEZPLFJOSA-N 318.392 2.940 0 50 DFAA Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)sc2ccccc12 237761677 KXZUPXGMPXFUEC-LLVKDONJSA-N 319.382 2.525 0 50 DFAA CO[C@@H]1CCN(C(=O)NCC2(c3ccc(C)cc3C)CC2)C1 458953568 UZESZZXDIWNANM-OAHLLOKOSA-N 302.418 2.765 0 50 DFAA Cc1cc(CNC(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)ccc1Cl 263117537 CCJRDUJLTVANCR-GXFFZTMASA-N 324.808 2.901 0 50 DFAA CN(C(=O)c1cc(C(=O)O)ccn1)C1C2CC3CC(C2)CC1C3 263423576 QHYAAMGDNQHCKO-UHFFFAOYSA-N 314.385 2.677 0 50 DFAA CC(=O)N1CCC(CNC2CCC3(CC2)CC3(F)F)CC1 952992739 ACZGRVNQMWXEOM-UHFFFAOYSA-N 300.393 2.803 0 50 DFAA COc1ccc2sc(CN3CC[C@@](OC)(C(=O)O)C3)cc2c1 1875283212 JRWZQRSMVWMECY-INIZCTEOSA-N 321.398 2.585 0 50 DFAA O=C1C[C@H](c2ccc(O)cc2)c2c(c3ccccc3[nH]c2=O)O1 4387097 CZDJFFAAHJNJQG-CYBMUJFWSA-N 307.305 2.675 0 50 DFAA COc1ccc(-n2nc(C)nc2CC[C@H]2CCCO2)cc1OC 2325848272 CPHBDMZFMLZQOE-CQSZACIVSA-N 317.389 2.705 0 50 DFAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)cc1 119639 GPYPNGXBFKBULB-NSHDSACASA-N 315.325 2.799 0 50 DFAA Fc1cc(N2CC[C@H](NCC3=CCCOC3)C2)ccc1Cl 133002619 ZHKKDSCWWURVQM-ZDUSSCGKSA-N 310.800 2.994 0 50 DFAA O=C(CSc1cn[nH]n1)Nc1ccccc1C(F)(F)F 4386588 NTTWCIXBAHIHOM-UHFFFAOYSA-N 302.281 2.554 0 50 DFAA CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 4832072 AGYSXWCRXQOZGI-AWEZNQCLSA-N 319.401 2.564 0 50 DFAA O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccccc1 4986547 HRRYQPHCDWEURM-UHFFFAOYSA-N 311.366 2.611 0 50 DFAA O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O 7952232 AIUFCBRGPJWBBC-UHFFFAOYSA-N 315.712 2.834 0 50 DFAA Cc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c1 10314335 VCVBHAARKUUSBX-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA CC(=O)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100632877 IXZODIVPDJERGT-UONOGXRCSA-N 303.745 2.911 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)cc2)C1 246383242 OYSSFDNPCAEJTQ-VVBPWWLESA-N 321.442 2.699 0 50 DFAA CCCOc1ccc(CNc2nnc(-c3ccon3)s2)cn1 225820237 TVDSPUMLWHUUAF-UHFFFAOYSA-N 317.374 2.989 0 50 DFAA COc1ccc(OC)c([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)c1 21525099 BBMDEXJUCFUHID-AWEZNQCLSA-N 319.386 2.510 0 50 DFAA COc1cccc(NC(=O)[C@H](C)n2ncc3ccccc3c2=O)c1 65362128 CYIHEEGLBMZLSU-LBPRGKRZSA-N 323.352 2.605 0 50 DFAA CCOc1ccccc1-c1ccc(C(=O)N2CCOCC2)o1 67910400 HQEZDUKDEALSLI-UHFFFAOYSA-N 301.342 2.818 0 50 DFAA O=C(NCc1ccccn1)C1CCN(CC2CCCCC2)CC1 22241699 JNFBRFSZRIRNQX-UHFFFAOYSA-N 315.461 2.990 0 50 DFAA CCc1ncc2c(n1)CN(C(=O)c1ccc(Cl)cc1OC)C2 67947133 IZBJXOVRIUUDCW-UHFFFAOYSA-N 317.776 2.857 0 50 DFAA Cc1nc(C)c(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)s1 67688917 MFLSJCBCBNGUHO-AWEZNQCLSA-N 321.490 2.983 0 50 DFAA C[C@H](Sc1nncn1C)C(=O)O[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 249514388 ZOEGPWJUXHUTJF-FHUSYTEZSA-N 323.462 2.910 0 50 DFAA CC1(C)CN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)C1(C)C 124000178 QHBPEECBZYWLSF-AWEZNQCLSA-N 321.465 2.750 0 50 DFAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1n[nH]c2c1CCC2 67852070 ZRBFCBHYCFTJMA-UHFFFAOYSA-N 323.352 2.874 0 50 DFAA CCOc1ccc2[nH]c(=O)c(CN(C)C[C@H]3CCCO3)cc2c1 67473134 TWYMSZWUWIFIPV-MRXNPFEDSA-N 316.401 2.538 0 50 DFAA CCN1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1 20512466 GGPQDYKLYNEWFP-UHFFFAOYSA-N 300.402 2.756 0 50 DFAA CC[C@@H](C(=O)O)[S@](=O)Cc1coc(-c2ccccc2F)n1 600880598 QSGPSFPLQQRLSY-LAJNKCICSA-N 311.334 2.593 0 50 DFAA COc1ccc(C)cc1-n1cnnc1CCc1c(C)n[nH]c1C 67654919 RCDYBHDWHIGHSV-UHFFFAOYSA-N 311.389 2.709 0 50 DFAA COC(=O)Nc1cccc(C(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 252515008 FSVXIZXPZJDFQR-BFHYXJOUSA-N 319.357 2.835 0 50 DFAA FC(F)(F)[C@H]1C[C@@H](NCc2noc3c2CCCC3)CCO1 377400025 OUWUZUUMDGJUPA-TVQRCGJNSA-N 304.312 2.753 0 50 DFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1C[C@H]1C 252506328 VZIGUIBTRFMJAU-IDHHARJASA-N 315.413 2.809 0 50 DFAA C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccnc2nc(N)nn12 167624 RXPWVZSANXRTAY-MRVPVSSYSA-N 323.278 2.865 0 50 DFAA Cc1nc(C)n(C[C@@H](C)C(=O)N(C)Cc2sccc2C)n1 67856580 RUKZUNGTSFFSFS-LLVKDONJSA-N 306.435 2.560 0 50 DFAA CCN1CC[C@H](N(C)C(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 229845408 XFOIXMRQNJCTNB-BBRMVZONSA-N 305.422 2.889 0 50 DFAA CN(Cc1ccccn1)C(=O)[C@]1(c2ccccc2)CCC(O)=NC1 328592764 WLAABUSNNULYHJ-LJQANCHMSA-N 323.396 2.728 0 50 DFAA CCc1cc(NCCc2nc3ccccc3[nH]2)n2nccc2n1 72458904 JWWIZYOBKNZIFZ-UHFFFAOYSA-N 306.373 2.823 0 50 DFAA Cc1cc[nH]c1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 365594795 GLBXJVZNQNVVJJ-SFHVURJKSA-N 316.376 2.530 0 50 DFAA COc1cc(C)c(N2C(=O)[C@H]3CCCCCN3C2=O)cc1F 375929145 VKNJJLJEHUBPMP-GFCCVEGCSA-N 306.337 2.854 0 50 DFAA Fc1ccccc1-c1cc(NCc2ncc[nH]2)n2nccc2n1 72154788 QRZRAPTZHNAQPQ-UHFFFAOYSA-N 308.320 2.871 0 50 DFAA CN(CCC1(O)CCCC1)Cc1sc(N(C)C)nc1Cl 215285466 KPQLHPALZRFJAN-UHFFFAOYSA-N 317.886 2.990 0 50 DFAA NC(=O)c1cc(N)ccc1OCc1cccc(Br)c1 124275728 WPYPMODYESWXLD-UHFFFAOYSA-N 321.174 2.709 0 50 DFAA CC(C)Oc1cccc(C(=O)N[C@@H](CCO)C2CCCCC2)n1 130274013 SXPAOWXVJPSHLA-HNNXBMFYSA-N 320.433 2.930 0 50 DFAA COCc1nn(C)cc1C(=O)N[C@H]1CCCCC12CCCC2 333089172 NVRNORXMSAKDJK-HNNXBMFYSA-N 305.422 2.799 0 50 DFAA CN(C)[C@H](C(=O)N1C[C@H]2CC=CC[C@H]2C1)c1cccc(F)c1 72164608 KVNGYUOWBWZRPO-UXLLHSPISA-N 302.393 2.853 0 50 DFAA Cc1nc2ccccc2n1CCc1noc([C@H]2CCCOC2)n1 333225146 SQIWWRNXWJKVJE-ZDUSSCGKSA-N 312.373 2.864 0 50 DFAA CO[C@@H]1CCN(C(=O)NCc2ccc3c(c2)COC3)CC1(C)C 333233183 ORJLIGAXKFCUOI-MRXNPFEDSA-N 318.417 2.673 0 50 DFAA CC(C)(C)OC(=O)[C@H](N)Cc1cccc(Br)c1 71241895 DHHDTWQVSPQQQZ-LLVKDONJSA-N 300.196 2.661 0 50 DFAA C[C@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc2c(c1)NC(=O)CO2 449124574 GWWQVPFDTCRGDL-GXTWGEPZSA-N 316.401 2.770 0 50 DFAA O=C(O)[C@]1(Cc2ccccc2F)CCCN(c2ncccn2)C1 71770989 DCGQUDGUSLJEEE-KRWDZBQOSA-N 315.348 2.530 0 50 DFAA Cc1cc(C)cc([C@@H](C)NS(=O)(=O)CC2CCOCC2)c1 173126897 TXBUSMAHGJJYSQ-CQSZACIVSA-N 311.447 2.710 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NCC[C@@H]2CCOC2)c1 72440763 XWINIXILYGAZMZ-OAHLLOKOSA-N 305.418 2.547 0 50 DFAA CC(C)n1ccnc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 336858546 ZMPRZOSGPXTBCK-HZPDHXFCSA-N 303.381 2.911 0 50 DFAA Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1Cl 286142617 GMBHBCKNYFCMGD-BPLDGKMQSA-N 323.820 2.650 0 50 DFAA CC[C@@H]1CN(C(=O)Cc2ccc(N(C)C)cc2)CCN1C(C)C 82121053 WEBWEENAFUEQMM-QGZVFWFLSA-N 317.477 2.626 0 50 DFAA CCc1c(C)nn(CCNC(=O)[C@H](OC)c2ccccc2)c1C 222848801 IWMWGYOXDGNFDF-QGZVFWFLSA-N 315.417 2.566 0 50 DFAA Fc1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 19922904 QGHYCOWLQIHFLU-UHFFFAOYSA-N 315.417 2.980 0 50 DFAA COc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)o2)cc1 223693288 IBXBCWJCBHPUAW-CPUCHLNUSA-N 313.353 2.862 0 50 DFAA CC(C)[C@@H]1C=CCN1C(=O)c1ccc(-c2cnc(N)nc2)cc1 426734195 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303.450 2.844 0 50 DFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(C(C)C)no3)[C@H]2C1 299789352 XVGAGMFYEOMCAD-YLQAJVPDSA-N 322.405 2.597 0 50 DFAA CCCC[C@@H](NC(=O)c1cn2cccnc2n1)c1cccnc1 822830889 CZMPATPIHCNNPE-CQSZACIVSA-N 309.373 2.786 0 50 DFAA Cc1cc(CC(=O)N[C@@H](C)c2ccccc2-n2cccn2)on1 828000468 LHZPLEFOHVWBEM-ZDUSSCGKSA-N 310.357 2.589 0 50 DFAA CCCOC1(CNC(=O)[C@H]2CCc3nc[nH]c3C2)CCCCC1 1362035413 PONBPOIYKXCZRW-AWEZNQCLSA-N 319.449 2.760 0 50 DFAA CC[C@H](C)n1ncc(NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1C 408352683 TXIIPUSESDWTGQ-AVGNSLFASA-N 307.442 2.719 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CCCS2)cc1 170594842 ZAEWSLMTFILGJQ-KBPBESRZSA-N 313.488 2.642 0 50 DFAA COC[C@@]1(C)NC(=O)N(CCC23CC4CC(CC(C4)C2)C3)C1=O 170620537 NJETUDAJKXNDGJ-RBXDXQPVSA-N 320.433 2.550 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 187669837 BRNDZUNRFLLPKA-ZFWWWQNUSA-N 313.394 2.621 0 50 DFAA COc1ccccc1C(C)(C)NC(=O)Cc1c(C)n[nH]c1C 188407053 GJDSYESKLPZVAU-UHFFFAOYSA-N 301.390 2.629 0 50 DFAA O=C(O)C1(C(=O)Nc2cc([C@@H]3C[C@H]4CC[C@H]3C4)[nH]n2)CC=CC1 663089466 HEKPACSFZHYNSU-SDDRHHMPSA-N 315.373 2.673 0 50 DFAA CN1CCc2ncnc(NCCc3cnc4ccccc4c3)c2C1 1614653462 GDHRYLPZPLCFJW-UHFFFAOYSA-N 319.412 2.667 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)NC1CCC2(CC1)C[C@H]2N 1615546071 LOOIBBMNAJRMDW-GOSTWBGLSA-N 316.323 2.997 0 50 DFAA OC1(CN[C@H]2CCc3cccnc3CC2)CCC(F)(F)CC1 1616043839 FJAJUPIHDWGAQE-AWEZNQCLSA-N 310.388 2.859 0 50 DFAA COc1ccc(-c2c(C)nn(CC(N)=O)c2C)c2ccc(C)nc12 1506406846 PBZWBVNCNNTPAK-UHFFFAOYSA-N 324.384 2.517 0 50 DFAA CCn1ncc(C)c1NC(=O)c1cc2cc(OC)ccc2n1C 1529113662 HHTACWJZHYKBAE-UHFFFAOYSA-N 312.373 2.964 0 50 DFAA COc1cc(C=O)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 219056432 GWDOTWVVJJFSAZ-UHFFFAOYSA-N 320.389 2.565 0 50 DFAA COc1ccnc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)c1 219839785 CDQPULWVWBDBFI-AEFFLSMTSA-N 315.461 2.787 0 50 DFAA O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCCCCC1 12597381 OBFNKPQKHZHYCQ-UHFFFAOYSA-N 320.343 2.621 0 50 DFAA CCCN1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 13331049 KRHHFZAHTYBJNY-UHFFFAOYSA-N 302.752 2.786 0 50 DFAA Cc1ccc([C@]2(COC(=O)C(C)C)CO2)c(OC(=O)C(C)C)c1 13660176 OLARKEMZPWGFJU-SFHVURJKSA-N 320.385 2.981 0 50 DFAA endogenous,in-man O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1cccc(O)c1)C2 14955088 SBVHPVNMKDTWAN-IBGZPJMESA-N 314.429 2.617 0 50 DFAA O=C(N[C@@H]1CCCN(C2CCCCCC2)C1)c1ccncc1 15063884 LXCJSUQHZCCYBN-MRXNPFEDSA-N 301.434 2.999 0 50 DFAA COc1ccc(OCc2nc(C(=O)NC3CCC3)co2)cc1 15073164 GUVBCETWSRQEKG-UHFFFAOYSA-N 302.330 2.545 0 50 DFAA COc1cccc(N2CCN([C@@H]3CCC(C)(C)C3)CC2=O)c1 1857676547 QACUMHQTRPTABR-OAHLLOKOSA-N 302.418 2.923 0 50 DFAA CC[C@]12COC(=O)N1CCN(Cc1nc3ccccc3s1)C2 1857683759 MXZCUICILCISPH-INIZCTEOSA-N 317.414 2.713 0 50 DFAA CC(C)Cc1ccc(-c2nccn2C[C@]2(O)CCNC2)s1 1857713991 GTKDQRBWZHVSGK-INIZCTEOSA-N 305.447 2.535 0 50 DFAA O=C(CSc1nnc(-c2cccnc2)o1)N1CCCCCC1 617317 QCRXNTYVGLFGFW-UHFFFAOYSA-N 318.402 2.626 0 50 DFAA Cn1nc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1C1CC1 332858340 FJFRQQKEIYUQLF-KWCYVHTRSA-N 302.422 3.388 0 50 DFAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1nc(C2CC2)ncc1Br 333635936 WNOZIJXUOOCYRO-ILWJIGKKSA-N 322.206 2.645 0 50 DFAA NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccccc2F)o1 238010946 QBJIUEXARJWYSR-FZMZJTMJSA-N 302.349 2.943 0 50 DFAA C[C@H](C(=O)Nc1ccn(C(C)(C)C(=O)O)n1)c1cccs1 659203569 HBNIXKASDCRQRB-VIFPVBQESA-N 307.375 2.507 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1c(F)cccc1F 246292749 UQDFOGLBLIECPX-ONERCXAPSA-N 323.339 2.752 0 50 DFAA CCc1nnc(CNC(=O)[C@@H]2COc3ccc(Cl)cc32)s1 355672595 NURVCQGODWXPQS-SNVBAGLBSA-N 323.805 2.546 0 50 DFAA CC1(C)CN(C(=O)c2ccoc2C2CC2)C[C@@]2(CCCOC2)O1 366996019 HNDHDBMJBICNJK-GOSISDBHSA-N 319.401 2.957 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ncnn2C1 1875276247 PAPPBXFMCOAFSO-MXWKQRLJSA-N 316.327 2.630 0 50 DFAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)c1ccncc1Cl 1875289293 FTRUPYFEDNBFEN-GXTWGEPZSA-N 316.744 2.778 0 50 DFAA Cn1[nH]c([C@H]2CCCN(Cc3cccc4ccccc34)C2)nc1=N 1875338473 YUDFHSZBOXDSIW-INIZCTEOSA-N 321.428 2.760 0 50 DFAA CNc1cc(CNc2nc(C)nc(C)c2Br)ccn1 895255657 KASWMWGHUILMGD-UHFFFAOYSA-N 322.210 2.905 0 50 DFAA O[C@H](CNCc1cccc2c1OCO2)Cc1ccc(Cl)cc1 2325719920 LMKKYNUDKIZKPT-HNNXBMFYSA-N 319.788 2.762 0 50 DFAA Cc1ccc2nc(NC(=O)c3ccc(CN)nc3C3CC3)[nH]c2c1 2325761496 CDSFTVFBLLJILD-UHFFFAOYSA-N 321.384 2.855 0 50 DFAA CO[C@@H]1CC[C@H]1CC(=O)N1CCC(c2ccccc2CO)CC1 2325805334 BLXSXTBIVOLQNR-MAUKXSAKSA-N 317.429 2.700 0 50 DFAA O=c1c(-c2ccccc2)cncn1Cc1cccc2c1CCNC2 2325859969 RRFSCRJRAITYAP-UHFFFAOYSA-N 317.392 2.604 0 50 DFAA Cc1ccn2cc(CNC(=O)c3cncc4ccsc34)nc2n1 2325878376 NBBKTJIDQRFVLS-UHFFFAOYSA-N 323.381 2.577 0 50 DFAA NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 440480 XMFOBTPSNBPVGF-UHFFFAOYSA-N 304.346 2.727 0 50 DFAA Cc1cnn(-c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1 453068 MRCTUTQYAXBAGP-UHFFFAOYSA-N 310.748 2.939 0 50 DFAA Cc1ccc(F)cc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356145954 YPXHCHJVVGCGLI-SFHVURJKSA-N 313.376 2.977 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)O 2530811 IJMMECIIPUTJIH-STQMWFEESA-N 315.410 2.686 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)no1 2356160979 ALFBVRYUYPRTPJ-QGZVFWFLSA-N 314.389 2.641 0 50 DFAA COc1ccc(-c2cnn(C)c2)c(CN2CCC[C@@H](OC)C2)c1 2356162663 HZHAAJRLXZARAI-QGZVFWFLSA-N 315.417 2.707 0 50 DFAA Cc1cc(C)n2c(SCCOc3ccccc3)nnc2n1 2869283 UAYMFJOIHCUFPE-UHFFFAOYSA-N 300.387 2.912 0 50 DFAA Cc1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1 3200098 KWHWKBIYHORPJR-UHFFFAOYSA-N 310.397 2.723 0 50 DFAA Cc1ccccc1-c1nc(CSc2nnnn2C)cs1 6699676 MHYWBBLUNLXBRT-UHFFFAOYSA-N 303.416 2.934 0 50 DFAA O=C(NC[C@@H]1OCCc2ccccc21)[C@@H]1OCCc2ccccc21 6810777 MGRYHXDGBMMJFI-RBUKOAKNSA-N 323.392 2.731 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1F 343242393 YWBHBONTSPITLA-IINYFYTJSA-N 323.318 2.769 0 50 DFAA CSc1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 9763999 YZQCTUIYKINPII-UHFFFAOYSA-N 311.370 2.637 0 50 DFAA O=C(c1ccccc1F)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100636598 ZWQFPOZFWKRNRG-JYJNAYRXSA-N 314.404 2.796 0 50 DFAA Cn1c(=O)c(C(=O)NC2CCCCCC2)c(O)c2ccccc21 100513172 QCCMAEDLQZEBEI-UHFFFAOYSA-N 314.385 2.697 0 50 DFAA CCc1nnc(NC(=O)[C@@H](C)N(C)Cc2sccc2C)s1 65531059 BIOARCPLROOCHB-SNVBAGLBSA-N 324.475 2.929 0 50 DFAA O=C(CC1CCCCCC1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 347150840 FSWJUSXILLHJQF-ZACQAIPSSA-N 309.450 2.735 0 50 DFAA c1ccc(Cc2nc(CCc3cn4ccccc4n3)n[nH]2)cc1 67974097 UKMOVULUAXSCSL-UHFFFAOYSA-N 303.369 2.828 0 50 DFAA c1ccc(CCN2CCc3[nH]cnc3[C@H]2c2ccccn2)cc1 67921507 GKBHONHOMUPVNT-LJQANCHMSA-N 304.397 2.995 0 50 DFAA CN(Cc1ccc(Cl)nc1)Cc1cccn1-c1ncccn1 65530724 XVVRRWWXLUDSHS-UHFFFAOYSA-N 313.792 2.948 0 50 DFAA CCNc1ncc(C(=O)N2CCCC[C@H]2c2cccnc2)cn1 65493509 QOFUKJMDPBQLDH-HNNXBMFYSA-N 311.389 2.671 0 50 DFAA CCOC(=O)c1cc(C(=O)Nc2ccccc2C(C)C)nn1C 2751986 MFROABJNPBMJFY-UHFFFAOYSA-N 315.373 2.973 0 50 DFAA O=C(CN1CCC[C@H]1/C=C/c1ccccc1)NCc1cccnc1 253425838 RPOGXOUOPVLDBJ-VYENPZKTSA-N 321.424 2.876 0 50 DFAA CCCNC(=O)c1cc2ccc(N(CC)CC)cc2oc1=N 6517345 RFMZKJKFDGNBSS-UHFFFAOYSA-N 301.390 2.898 0 50 DFAA CC[C@@H](c1ccc(Cl)cc1)N1CCO[C@H](c2nncn2C)C1 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C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 299739850 SASQHJLXXZMWSI-GDBMZVCRSA-N 311.429 2.892 0 50 DFAA Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1scnc1C)C2 296126561 QWZUGURNUZYRKU-HNNXBMFYSA-N 316.426 2.731 0 50 DFAA Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C(=O)O)co1)CCC2 183790463 KPOOEUBMKBPJBZ-LLVKDONJSA-N 320.370 2.892 0 50 DFAA O=C(CCc1ccc(O)cc1)NC1CCN(C2CCCC2)CC1 184006648 JVNZFTJRQMORFA-UHFFFAOYSA-N 316.445 2.848 0 50 DFAA CC(C)(C)CCCNC(=O)N1CCOc2ccc(CO)cc2C1 534577198 GFFOOALLTMUUTP-UHFFFAOYSA-N 320.433 2.909 0 50 DFAA O=C(c1ncn2c1CO[C@@H](c1ccccc1)C2)N1CCCCC1 263619541 ZDQWODMAGVYOEA-MRXNPFEDSA-N 311.385 2.781 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@H]2COC3(CCCCC3)C2)cc1 299784867 IBBNFACTZOOCHK-CQSZACIVSA-N 303.358 2.606 0 50 DFAA COCCn1ccnc1CN1CCOc2ccc(Cl)cc2C1 670457315 SMOMNMFZNWOOBB-UHFFFAOYSA-N 321.808 2.578 0 50 DFAA O=C1CCC2(CCN1)CCN(Cc1cnccc1Cl)CC2 670468921 GXOISJMFDIDBTA-UHFFFAOYSA-N 307.825 2.617 0 50 DFAA CNC(=O)C[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 670469546 ADFOSLZMXCRZEV-NSHDSACASA-N 300.324 2.663 0 50 DFAA CCC1=NO[C@H](CN(C)CC2(N3CCOCC3)CCCCC2)C1 670465602 WYGUWTVSAZETPI-KRWDZBQOSA-N 323.481 2.508 0 50 DFAA CN(C)Cc1cc(C(=O)N(C)c2nsc3ccccc23)no1 1337872552 SFHSLSHDRYZZJZ-UHFFFAOYSA-N 316.386 2.623 0 50 DFAA Cc1cc([C@H](C)NC(=O)N[C@@H](C)C[S@](C)=O)cc(C)c1F 170075415 WIDYBRYJXFSXPW-OABGYEMISA-N 314.426 2.570 0 50 DFAA CCN(Cc1ccc(OC)cc1OC)C(=O)[C@H]1CCCO[C@@H]1C 276584981 NOJCGYABJMDPFQ-CJNGLKHVSA-N 321.417 2.867 0 50 DFAA CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)c(C2CC2)c1 278449677 HAGRWUOLLCCHIW-OAHLLOKOSA-N 317.385 2.740 0 50 DFAA Cn1ccnc(N2CCC(c3ccc(Cl)cc3)CC2)c1=O 185958661 JQDJAIBLTQKEQC-UHFFFAOYSA-N 303.793 2.818 0 50 DFAA Cc1nc(C(=O)Nc2cccc(N=S(C)(C)=O)c2)c(C)o1 585088387 ZGQXTXWYKRXHAC-UHFFFAOYSA-N 307.375 2.903 0 50 DFAA Cn1nccc1CCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 190379242 VYLYXXSFQYBQNC-JSGCOSHPSA-N 304.394 2.507 0 50 DFAA CC(C)c1cccc(OCC(=O)NC2(c3nnc[nH]3)CCC2)c1 194298452 TUJQCSXDWWOIRV-UHFFFAOYSA-N 314.389 2.503 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCC[C@@H](CC(=O)O)CC1 794213987 RKIFNBQZOFCXJE-LLVKDONJSA-N 309.337 2.551 0 50 DFAA COC[C@@H]1CCCCN1C(=O)c1ccnc(C2CCCC2)n1 1615003623 YTSZBQLBPARHDR-AWEZNQCLSA-N 303.406 2.775 0 50 DFAA CC(C)(Cc1ccc(O)cc1)C(=O)N1CC[C@H](C(C)(C)O)C1 1615549931 TYACXMZBTKYWTQ-AWEZNQCLSA-N 305.418 2.580 0 50 DFAA CCc1c(C(=O)N2CC(c3cnc4ccccc4n3)C2)ccn1C 1616040484 MJLKLRUYAJWAHO-UHFFFAOYSA-N 320.396 2.770 0 50 DFAA C[C@@H](CN1CCCCCC1)NCCN1CCc2ccccc2C1 1506409808 UMXSYSJWDRJABC-SFHVURJKSA-N 315.505 2.899 0 50 DFAA O=C(O)C1CCN([C@H](C(=O)O)c2cc3ccccc3s2)CC1 1529125072 IALSASQOANYDSA-AWEZNQCLSA-N 319.382 2.824 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H](c2ccccc2)O1 1529186321 BOKGKZDVAOCZBU-SJORKVTESA-N 313.401 2.658 0 50 DFAA C[C@@H]1CCCN(C(=O)c2csc(Br)c2)[C@H]1CN 226266995 SCVPUNYMFIAUQH-SCZZXKLOSA-N 317.252 2.710 0 50 DFAA Cc1cc(SCC(=O)Nc2nc3c(s2)CCCC3)ncn1 11903014 ZCFQDOQQEKYRKY-UHFFFAOYSA-N 320.443 2.851 0 50 DFAA O=C(Cc1ccccc1)N[C@H]1CC(=O)N(CC2CCCCC2)C1 14961054 YTCNPWNYOBAZHR-KRWDZBQOSA-N 314.429 2.527 0 50 DFAA CCNC(=O)c1cccc(-n2ccnc2-c2ccnc(CC)n2)c1 1857729427 AHSRQIBJYZOESM-UHFFFAOYSA-N 321.384 2.641 0 50 DFAA Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 315457 JRNVPZSAURGQIX-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA in-vitro c1ccc2c(NCCCN3CCOCC3)c3c(nc2c1)CCC3 1780068 UVALAZZUSKYBOT-UHFFFAOYSA-N 311.429 2.858 0 50 DFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 229936397 ADPZYFYTKLBPAK-KFWWJZLASA-N 317.437 2.689 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2 236884457 JLCQKSBINRXWGY-DLBZAZTESA-N 316.445 2.955 0 50 DFAA C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)nc1 237581921 USXSDFXHXFVJGD-SNVBAGLBSA-N 304.371 2.545 0 50 DFAA CC(C)[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)c1ccccn1 245289786 FCMMWDRTLQIKDN-DZKIICNBSA-N 305.422 2.629 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CCc2cccc(Cl)c2C1 458029482 GKOBQCCIVIQQBV-UHFFFAOYSA-N 303.793 2.807 0 50 DFAA O=C(c1ccc(Cl)cn1)N(C[C@H]1CCCO1)c1ccncc1 134925102 VFJVMBVAXINXRX-CQSZACIVSA-N 317.776 2.956 0 50 DFAA Cc1nc2cccc(C(=O)N3CCC[C@@H](n4ccnc4)C3)c2[nH]1 670065018 MMJTXYPGPHUSEM-CYBMUJFWSA-N 309.373 2.545 0 50 DFAA Cc1cnn([C@H](C)[C@@H](C)NCC(=O)N[C@H](C)c2cccs2)c1 252474709 KPYJCNPZPOXFFS-MGPQQGTHSA-N 320.462 2.670 0 50 DFAA COCCC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 264606432 LYRPHPDXTHNXEI-MRXNPFEDSA-N 311.809 2.649 0 50 DFAA O[C@@H](CN[C@H]1CCCOc2ccccc21)c1ccc(F)cn1 818995974 ZXLYWHVNUAWKBB-HOCLYGCPSA-N 302.349 2.758 0 50 DFAA CC(C)c1ncsc1NC(=O)N[C@H]1CCN(CC(F)F)C1 931669767 YXACEEZGELFXQY-VIFPVBQESA-N 318.393 2.727 0 50 DFAA C[C@@H](NC1CCN(CC(F)F)CC1)c1cc(O)ccc1F 872028051 HUJPWKIQRPQULX-SNVBAGLBSA-N 302.340 2.911 0 50 DFAA O[C@@H](COCc1ccccc1)Cc1nc(-c2ccsc2)no1 952847902 JAFDXBRWFPUPGZ-CQSZACIVSA-N 316.382 2.918 0 50 DFAA Cc1cc(C)cc(C(=O)N2CCC(Cc3nncn3C)CC2)c1 952992930 GQUXZFGZULZSAV-UHFFFAOYSA-N 312.417 2.527 0 50 DFAA C=CC(=O)Nc1ccc(C(=O)N(C)C2CCSCC2)cc1 1875370353 LNTQVFGSEAUZDC-UHFFFAOYSA-N 304.415 2.779 0 50 DFAA N[C@H](C(=O)NCC1(CCO)CC1)c1ccc(-c2ccccc2)cc1 1875314974 CHGAXOXSUFBFRJ-SFHVURJKSA-N 324.424 2.632 0 50 DFAA C[C@H]1CC(Cn2nnc(-c3ccccc3C(F)(F)F)n2)=NO1 1875304932 ZWFISXHQKSHQQF-QMMMGPOBSA-N 311.267 2.524 0 50 DFAA Cc1cccc(-n2cc([C@@H]3CCCN3C(=O)C3CC3)nn2)c1F 1875344283 AUAANKGOUAXNFX-AWEZNQCLSA-N 314.364 2.788 0 50 DFAA Cc1ccnc(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1 887734193 QLPBFZXDTSMYBQ-AWEZNQCLSA-N 311.385 2.986 0 50 DFAA c1ccc2c(c1)C[C@@H]1CCC[C@H](C2)[C@@H]1NCc1nnc2n1CCC2 888095837 YQTKJRLDBBJATD-YRWFTTLQSA-N 322.456 2.898 0 50 DFAA Cc1ncccc1CNC[C@H](O)c1ccccc1Br 825338632 RRTCXHXTERTLNH-HNNXBMFYSA-N 321.218 2.976 0 50 DFAA CCC1=NN(C(=O)c2ccccc2OC)[C@](O)(C(F)(F)F)C1 66606 AHFYJIDNPPHILH-CYBMUJFWSA-N 316.279 2.558 0 50 DFAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)c1coc(C2CCCC2)n1 2325778258 MVMHVPWWVANYEW-FDYHWXHSSA-N 318.373 2.561 0 50 DFAA O=C(OCc1ncc(-c2ccccc2)o1)c1[nH]nc2ncccc12 2325872209 MOFVFVNFVUATTD-UHFFFAOYSA-N 320.308 2.970 0 50 DFAA Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 515000 JRTDMSBYLHMMGH-UHFFFAOYSA-N 309.413 2.999 0 50 DFAA Nc1cc(N)nc(SCc2ccccc2C(F)(F)F)n1 614493 HBIKORGLHOGDTK-UHFFFAOYSA-N 300.309 2.952 0 50 DFAA Cc1ccc(OCC(=O)NCc2nc(-c3ccccc3)no2)cc1 4855535 CPLQQESKFBBHRK-UHFFFAOYSA-N 323.352 2.740 0 50 DFAA O=C(C[C@@H](C(=O)O)n1cccn1)c1ccc(Br)cc1 4867557 BOBRQSDCDLOGPM-NSHDSACASA-N 323.146 2.544 0 50 DFAA O=C(O)[C@H]1CCCN1c1nc(C(F)(F)F)nc2ccccc12 54219906 KSUJYIKOZJYCCV-SNVBAGLBSA-N 311.263 2.702 0 50 DFAA Nc1cc(=O)[nH]c(SCc2ccc(F)c3ccccc23)n1 8782300 WMHZTKGXSNEQJZ-UHFFFAOYSA-N 301.346 2.937 0 50 DFAA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 10314429 WMJSMPBDOZYENX-UHFFFAOYSA-N 324.789 2.964 0 50 DFAA C[C@](O)(CNC(=O)Nc1ccncc1F)c1ccccc1Cl 119388146 GEETVDSSBGDRKE-HNNXBMFYSA-N 323.755 2.903 0 50 DFAA COc1ncccc1-c1cc(C(C)=O)ccc1N1CCOCC1 67975274 OAWSEAIIRWQDKH-UHFFFAOYSA-N 312.369 2.796 0 50 DFAA Cc1cccc(C[S@](=O)CC(=O)N[C@@H]2CCCC[C@H]2C)c1 230238647 VSLUSKMWPOQKMK-NVAPDCRFSA-N 307.459 2.939 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[C@H]1c1ccc(F)cc1 252666602 CAEHGDMJABMDRM-XWTMOSNGSA-N 311.356 2.704 0 50 DFAA c1cc(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)cs1 328593755 FJOUZUOIHMBXHX-UHFFFAOYSA-N 314.370 2.697 0 50 DFAA C[C@@H]1SCCN(C(=O)C[C@H](N)C2CC2)[C@@H]1c1ccccc1 328593461 YGSKOZWFBPDHCZ-NUTKFTJISA-N 304.459 2.819 0 50 DFAA O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCC1 71761289 SMRFTJZBDKCNAV-INIZCTEOSA-N 322.836 2.726 0 50 DFAA CN(CCN1CCCC1)C(=O)NCc1cccc(Cl)c1F 74849916 PSLXKSGGVBJDKJ-UHFFFAOYSA-N 313.804 2.716 0 50 DFAA COc1cccc(OC[C@@H]2CCCN(C(=O)CSC)C2)c1 77406609 WPRKAUDHXIDSTP-CYBMUJFWSA-N 309.431 2.676 0 50 DFAA Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)n[nH]1 257366006 FSPIGJUKZVXJPM-OWCLPIDISA-N 310.401 2.623 0 50 DFAA COc1ccccc1C1(c2nc(-c3ncncc3C)no2)CC1 356925040 CVDWFOSBSXSTBA-UHFFFAOYSA-N 308.341 2.924 0 50 DFAA O=C(c1cc(-c2ccccn2)no1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 329526649 TVBLGMDNWPRWIV-IGQOVBAYSA-N 309.369 2.855 0 50 DFAA COCCN1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71422268 FGJSAGGRUJXBSY-QGZVFWFLSA-N 322.424 2.531 0 50 DFAA CC(C)[C@H](CO)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 32507900 QBCQNCNIQUXKHE-PWSUYJOCSA-N 306.431 2.772 0 50 DFAA CCCc1nnc2sc(CCc3ccccc3OC)nn12 71759393 FSCDZROZCIWPFL-UHFFFAOYSA-N 302.403 2.932 0 50 DFAA C[C@H]1C[C@H](CCNC(=O)N2CCC(CC(=N)O)CC2)CCO1 332909492 XUTTZSQUNKDNAV-QWHCGFSZSA-N 311.426 2.539 0 50 DFAA O=C(Nc1ccc2c(c1)CCCN2)N1CCOC[C@H]1C1CC1 333318334 MPFWEICVQPTWCR-INIZCTEOSA-N 301.390 2.687 0 50 DFAA CCc1cc(NC(=O)N2CC3(CCOCC3)[C@H]2C(C)C)n(C)n1 333927824 WSXIBXBCBGGGPQ-OAHLLOKOSA-N 320.437 2.651 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)N2CC[C@@](O)(C3CC3)C2)s1 373249433 IEJLVRXUELRIAE-INIZCTEOSA-N 308.447 2.637 0 50 DFAA CSc1ccsc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 262375926 BQNNSSVQTULSOK-VIFPVBQESA-N 311.428 2.797 0 50 DFAA Cc1ncsc1CCN(C)[C@H]1CCOC2(CCOCC2)C1 77298462 FYOPGCYQCUWMJK-AWEZNQCLSA-N 310.463 2.654 0 50 DFAA COc1cccc(-n2cc(CN(C)Cc3cccnc3)cn2)c1 72119470 UFUIJTMXWYHXPV-UHFFFAOYSA-N 308.385 2.908 0 50 DFAA CNC[C@@H]1CCCN(C(=O)CCCOc2ccccc2C)C1 159092098 VLWFSTZZBYCCEP-INIZCTEOSA-N 304.434 2.612 0 50 DFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc2n(n1)CCC2 450631131 WMNZDUUQBMZWBK-HNNXBMFYSA-N 324.428 2.570 0 50 DFAA O=C(C1=Cc2ccccc2OC=C1)N1CCC(c2nnc[nH]2)CC1 220483840 UAWYTLKOIQNNGO-UHFFFAOYSA-N 322.368 2.500 0 50 DFAA CC[C@H]1CCN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C1 176591433 DJYKTOMDLVOOHV-HNNXBMFYSA-N 301.434 2.865 0 50 DFAA Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc2c(c1)nnn2C 178235492 MESFJTBDUPAEIJ-LBPRGKRZSA-N 322.368 2.704 0 50 DFAA O=C(NC[C@@H]1CCCN1)NCC1(c2ccccc2)CCCCC1 426647378 VPRIFSYKXMTGRM-KRWDZBQOSA-N 315.461 2.940 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)c2cccnc2N2CCCC2)s1 177870986 XTOATQWDDBRTQP-GFCCVEGCSA-N 316.430 2.938 0 50 DFAA O=C(NCCCc1nc2ccccc2o1)c1ccn(C(F)F)n1 223037277 LQUQSVNFDPHIMF-UHFFFAOYSA-N 320.299 2.782 0 50 DFAA Cc1ccc(S[C@H](C)C(=O)N2CCc3[nH]cnc3C2)cc1 95356747 XRMJQDPVVLEGMM-GFCCVEGCSA-N 301.415 2.784 0 50 DFAA CCc1cnc(N)nc1N1CCc2cc(SC)ccc2C1 91391385 BQSXWUHORKJUKS-UHFFFAOYSA-N 300.431 2.906 0 50 DFAA CC(C)n1cc(CN(C)C(=O)c2cc(-c3ccncc3)n[nH]2)cn1 97674253 GTMMEBFGKHJUQJ-UHFFFAOYSA-N 324.388 2.521 0 50 DFAA OCc1ccc(C[C@H]2CCN(Cc3cccc4nonc34)C2)cc1 91526217 FKPWGBXEUUKHBG-MRXNPFEDSA-N 323.396 2.780 0 50 DFAA Cc1nc(C(=O)NCc2cccc(N3CCCC3)c2)cs1 97402541 NWNFORBRVVBJCK-UHFFFAOYSA-N 301.415 2.982 0 50 DFAA C[C@H]1CN(C/C=C/c2ccc(Cl)cc2)CCN1C[C@@H](C)O 179505958 RIDVETSYTOBSPB-NMONBKHDSA-N 308.853 2.740 0 50 DFAA CCOC(C)(C)C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95352357 KITCZCXEIDVUIY-HNNXBMFYSA-N 319.401 2.906 0 50 DFAA CN(Cc1ccoc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91745689 LTEKXXZZTRYJAO-UHFFFAOYSA-N 318.417 2.667 0 50 DFAA Cc1csc(CCCNC(=O)[C@@H]2CCCN(C(C)C)C2)n1 95530807 SWLMJEDMTHIOEP-CQSZACIVSA-N 309.479 2.621 0 50 DFAA Cc1ccc2[nH]c(C(=O)NCc3cnn4cccnc34)c(C)c2c1 91656774 XUZRBIOEBSMSQR-UHFFFAOYSA-N 319.368 2.757 0 50 DFAA C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)CC1(N)CCC1 299739323 NHZRQMKDQOZVER-JKIFEVAISA-N 302.418 2.635 0 50 DFAA O=C(Nc1ccnnc1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 297397763 LDCSLNACOCTOQV-AWEZNQCLSA-N 318.764 2.815 0 50 DFAA Cc1nc(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)cs1 184719551 LAFPBUUNWDLSMJ-HNNXBMFYSA-N 319.405 2.572 0 50 DFAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCN1Cc1ccccc1 371757226 MTWZINMWXOVQDC-OAHLLOKOSA-N 310.353 2.628 0 50 DFAA O=C(Cc1cccs1)NCc1nncn1C1CCCCC1 827855644 RUMRZJGIJMYAGZ-UHFFFAOYSA-N 304.419 2.704 0 50 DFAA Cc1cccc(CSCCCNC(=O)N2CCN(C)CC2)c1 584884140 MWCLHAMKRJVTSV-UHFFFAOYSA-N 321.490 2.575 0 50 DFAA Cc1ccc(CN(CCCO)C(=O)c2ccn(C(F)F)n2)cc1 952982815 MQILQPIJGXELQE-UHFFFAOYSA-N 323.343 2.611 0 50 DFAA COCCc1nnc(SCc2ccc(C(C)(C)C)cc2)n1N 170643132 CEOGIBHXTANWML-UHFFFAOYSA-N 320.462 2.771 0 50 DFAA Cc1cn(-c2ccccc2)nc1NC(=O)[C@H]1CC12CCOCC2 674014626 DFLYBLOOJDGCCW-OAHLLOKOSA-N 311.385 2.936 0 50 DFAA Fc1ccc([C@@H]2CN(Cc3csnn3)CCO2)c(Cl)c1 187500363 QDBXORXYALOMOV-ZDUSSCGKSA-N 313.785 2.904 0 50 DFAA C[C@@H](c1cnn(C)c1)c1nc(-c2coc(C(F)(F)F)n2)no1 585120355 JHWPEEGCLSNEQP-LURJTMIESA-N 313.239 2.629 0 50 DFAA CCc1ccccc1CN1CCN([C@@H](C)c2nc(C)no2)CC1 188958802 HMEUXCYNGHMNMT-AWEZNQCLSA-N 314.433 2.819 0 50 DFAA Cc1cnccc1CNC(=O)Cc1nc(-c2ccco2)oc1C 188915232 YVIXXQYCSDHLSN-UHFFFAOYSA-N 311.341 2.805 0 50 DFAA Cc1c(NCc2cnc3ccnn3c2)cccc1NC(=O)N(C)C 684564474 FJXZJNFVRNNORE-UHFFFAOYSA-N 324.388 2.743 0 50 DFAA C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 656160459 ZDZOOTWTCUSNQT-KCPJHIHWSA-N 302.374 2.884 0 50 DFAA CCc1nc(C)c(CNC[C@@H]2CCCO[C@H]2c2nccn2C)o1 657473426 KSWAVNGVMFPQRS-XJKSGUPXSA-N 318.421 2.536 0 50 DFAA COC(=O)Nc1cccc(NC(=O)N2CCS[C@H]3CC[C@@H]32)c1 1615570853 AJFSGARVAITVPI-STQMWFEESA-N 321.402 2.977 0 50 DFAA Cc1nc(N(C)Cc2nncn2C(C)C)c2ccsc2n1 1704312799 BCMUWHBDDALWHS-UHFFFAOYSA-N 302.407 2.809 0 50 DFAA CC[C@@]12C[C@@H]1CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)C2 1772814957 BFCVTLKIWSDPSY-KUHUBIRLSA-N 310.397 2.568 0 50 DFAA O=C1C[C@@H](NC2CCOCC2)CN1Cc1cccc2ccccc12 11663100 DUJATOQOKVYBGN-GOSISDBHSA-N 324.424 2.709 0 50 DFAA CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 13670797 NKJJKUGOZXMANZ-UHFFFAOYSA-N 318.398 2.725 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)Cc2cccc(C)c2)cc1 16579751 NFBHPBOBEGQCMY-UHFFFAOYSA-N 318.398 2.895 0 50 DFAA CCSc1nnc(N)n1[C@H](CC)C(=O)Nc1ccc(C)cc1 16625374 SSNHBLWYNYYFQL-GFCCVEGCSA-N 319.434 2.871 0 50 DFAA COc1cccc2ccc(-c3nccn3[C@@H]3CCN(C)C3=O)nc12 1857668594 VMSIZEZKDIJXDU-CQSZACIVSA-N 322.368 2.510 0 50 DFAA CC[C@@]12COC(=O)N1CCN(Cc1cc3ccccc3o1)C2 1857680270 FPTGRMXFQVLLIP-QGZVFWFLSA-N 300.358 2.849 0 50 DFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(C3CCSCC3)C1)CC2 1857688282 AHKMXWSXGMHRTH-KRWDZBQOSA-N 319.474 2.666 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2cccc(N)n2)C[C@H](C(C)C)O1 1875249300 QXHXUMHKUJOUPY-UKRRQHHQSA-N 305.422 2.720 0 50 DFAA CNC(=O)c1cccnc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 225451807 AAQOYVVMZSCEJL-VHSXEESVSA-N 301.312 2.974 0 50 DFAA Cc1ccc(OC2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)cc1C 237778421 AELUJIUFTZXPEL-HOTGVXAUSA-N 316.445 2.801 0 50 DFAA CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1occc1C 138635907 OHVYLNOUENJBGO-UHFFFAOYSA-N 318.348 2.506 0 50 DFAA c1ccc(-n2cnc(CN3CCC(c4ncco4)CC3)n2)cc1 931446264 JEMRBBKZEMXTST-UHFFFAOYSA-N 309.373 2.635 0 50 DFAA COc1ccc(CN2CCc3nccc(N)c3C2)cc1Cl 931515171 RGQKUCBSOADQQZ-UHFFFAOYSA-N 303.793 2.884 0 50 DFAA O=C(c1ccccc1-n1cccc1)N1CCC[C@H](n2cncn2)C1 931992850 VLRDSASRYAYDEL-HNNXBMFYSA-N 321.384 2.546 0 50 DFAA CO[C@]1(c2nnc(C/C=C/c3ccccc3F)o2)CCOC1 952887134 IIZWJRDHUCRGCK-MQDFFIGUSA-N 304.321 2.727 0 50 DFAA CC(C)(C)c1coc(CN2CCC(F)(F)[C@@H](C(=O)O)C2)n1 1875270468 DALBOQJZZRAFON-SECBINFHSA-N 302.321 2.514 0 50 DFAA C[C@H](Cc1ccco1)n1nnnc1N1Cc2cccc(F)c2C1 1875272362 HHKYSPFFRIXXPX-LLVKDONJSA-N 313.336 2.729 0 50 DFAA O=C(O)c1cnc([C@@H]2CCCN2Cc2ccncc2Cl)nc1 1875282675 OCKXRRUUCRUHOU-ZDUSSCGKSA-N 318.764 2.560 0 50 DFAA NC(=O)c1ccc(F)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 1875336564 HIGKIRNIMSSULZ-AWEZNQCLSA-N 312.344 2.554 0 50 DFAA O=C(O)[C@H](c1cccc2ccccc12)N1C[C@H](O)C2(CCC2)C1 1875303995 WAMBBQWMERSAMB-IRXDYDNUSA-N 311.381 2.812 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)Cn1ccnc1C 885745010 PMWCKXMCIATXHW-ZDUSSCGKSA-N 318.446 2.535 0 50 DFAA COC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCOC2(CCC2)C1 889329593 BSRDESDRYIISFJ-IRXDYDNUSA-N 317.429 2.710 0 50 DFAA O=C(c1ccc(F)c(O)c1F)N1CCC2(CC1)CC2(F)F 1775998746 HXTXECODSACPDE-UHFFFAOYSA-N 303.255 2.932 0 50 DFAA CCCc1cc(=O)nc(/C(=C/c2cncc(C(=O)O)c2)CC)[nH]1 899371569 HTHBSIBGSMVZFD-WUXMJOGZSA-N 313.357 2.766 0 50 DFAA COc1ccsc1S(=O)(=O)Nc1ccc(C)nc1Cl 2325720351 XERPAGAARJGNEM-UHFFFAOYSA-N 318.807 2.914 0 50 DFAA C[C@H]1CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C[C@H](C)C1N 2325778381 WOBXMQQWCMAOBF-FLTUCWPJSA-N 307.482 2.780 0 50 DFAA OC[C@]1(Cc2ccccc2)CCCN(c2ccnc3[nH]ncc23)C1 2325802720 XLZVJOMFSVJBAG-IBGZPJMESA-N 322.412 2.780 0 50 DFAA O=C(c1ccc2c(c1)NCCCN2)N1CCC[C@H]1c1ncc[nH]1 2325812103 LYBFHRILVCQJFN-HNNXBMFYSA-N 311.389 2.615 0 50 DFAA OCc1cnn(Cc2ccc(-c3cccc4[nH]ncc34)cc2)c1 2325843857 RXXGGVMKYOKSMG-UHFFFAOYSA-N 304.353 2.967 0 50 DFAA COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 40620 AUBUTUXRWIGHTD-UHFFFAOYSA-N 307.293 2.914 0 50 DFAA COc1ccc([C@@H](C(=O)OCCN(C)C)c2ccccc2)cc1 454621 YXJSVFSCTUBDFD-SFHVURJKSA-N 313.397 2.932 0 50 DFAA Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F 509166 AFRMIDLDUGFWJO-UHFFFAOYSA-N 304.190 2.733 0 50 DFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1C 1054924 DWKQTODUEUHMPB-UHFFFAOYSA-N 319.313 2.644 0 50 DFAA aggregator Cc1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(C)c1 2845207 LNWUAMKUIXKOJT-UHFFFAOYSA-N 304.390 2.793 0 50 DFAA COc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1C 4302588 WXGIUWYVLONZRR-UHFFFAOYSA-N 316.382 2.899 0 50 DFAA Cn1c(SCc2csc(N)n2)nnc1-c1ccccc1O 4843151 DBAXMKQFHZJWQP-UHFFFAOYSA-N 319.415 2.519 0 50 DFAA COc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1Cl 4856030 UJAFDFJMFVXHKC-UHFFFAOYSA-N 322.748 2.619 0 50 DFAA COc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1OC 4869352 RDKBZHWXZIWJDO-UHFFFAOYSA-N 315.325 2.963 0 50 DFAA Cc1ccccc1C[C@@H](CO)NC(=O)[C@@H]1CCCc2cccnc21 225526038 HJSATEPIBSPVAP-ZWKOTPCHSA-N 324.424 2.530 0 50 DFAA COc1ccnc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 225650513 LTYYCOKYPWNIID-NVXWUHKLSA-N 302.349 2.537 0 50 DFAA CCc1oc(C(=O)NC[C@H]2CCCCO2)cc1CN(CC)CC 55282855 KHRDAEXHBPENIO-OAHLLOKOSA-N 322.449 2.983 0 50 DFAA CCOc1ccccc1CN(CC)C(=O)[C@@H](C)Cn1cccn1 55327462 DQLWBLUJQDHOPM-HNNXBMFYSA-N 315.417 2.967 0 50 DFAA O=C(CCCn1cncn1)N1CCC[C@@H]1c1ccc(F)cc1 54205434 KHUCDJJOCDJTQO-OAHLLOKOSA-N 302.353 2.561 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 53460823 MDWIWHLKJGFVMM-AWEZNQCLSA-N 306.381 2.546 0 50 DFAA CCOC(=O)C1(NC(=O)C[C@@H]2CCc3ccccc32)CCC1 65394436 JYZKRBCWAXDAOF-AWEZNQCLSA-N 301.386 2.709 0 50 DFAA COC(=O)c1cc(Br)n(C(=O)OC(C)(C)C)c1 44960051 GQRHEAQVGCTKHO-UHFFFAOYSA-N 304.140 2.820 0 50 DFAA O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1Cc1cccnc1 349262899 GBKLWFJIXRHWIN-UHFFFAOYSA-N 315.760 2.699 0 50 DFAA OCC[C@H]1CN(Cc2c(F)cccc2F)CCN1C1CCCC1 23375563 JBAWPGOSCVGGBV-HNNXBMFYSA-N 324.415 2.776 0 50 DFAA COc1ccccc1NC(=O)[C@H](C)NC(=O)C1CCCCC1 67321087 YOZQVPHBGGQGLY-LBPRGKRZSA-N 304.390 2.719 0 50 DFAA O=C(O)c1ccccc1S(=O)(=O)CCCc1ccccc1 21513487 DJIZDGXYGMMKGY-UHFFFAOYSA-N 304.367 2.791 0 50 DFAA CCn1ccnc1[C@H](NCc1cscn1)C1CCOCC1 328895549 BKWLATPGDBEGHS-CQSZACIVSA-N 306.435 2.617 0 50 DFAA FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cncs1)C2 328654688 XQUHPHWEJHUVDB-VIFPVBQESA-N 316.352 2.711 0 50 DFAA OCc1ccc(-c2nccn2Cc2ccccc2-n2ccnc2)o1 72133616 LNYPSACANCVFLO-UHFFFAOYSA-N 320.352 2.869 0 50 DFAA COc1cc(-c2nccc(NC(C)C)n2)cc(OC)c1OC 216545585 XTCHTRGDYDJBOA-UHFFFAOYSA-N 303.362 2.990 0 50 DFAA Cn1ncc(C(=O)NCc2ccccc2Cl)c1-n1cccc1 30859673 NILHBUJWZAUTIL-UHFFFAOYSA-N 314.776 2.794 0 50 DFAA FC(F)c1nnc(N2CC[C@@]3(CCc4ccccc4O3)C2)o1 366586068 SULNANZEQQTOJC-HNNXBMFYSA-N 307.300 2.981 0 50 DFAA O=C(Nc1ccc2cc[nH]c2c1)c1ccc(F)cc1-n1cnnn1 32104295 VZKQXEGYYQEIOX-UHFFFAOYSA-N 322.303 2.535 0 50 DFAA CN(C)C(=O)c1cccc(CN2C[C@H](CO)Cc3ccccc32)c1 368335914 JKAXLDJPUSUITF-MRXNPFEDSA-N 324.424 2.560 0 50 DFAA C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cnnn1C 330675857 JTBKDANBTMXNFG-QMMMGPOBSA-N 313.188 2.955 0 50 DFAA COc1ccccc1CC1(O)CCN(C[C@H]2CCC=CO2)CC1 370666457 HKVIDIXYWUCCOW-QGZVFWFLSA-N 317.429 2.757 0 50 DFAA Cc1cccc2[nH]cc(CC(=O)N3CC[C@H](c4nccn4C)C3)c12 371044577 RNSIQOQBEDSFSG-AWEZNQCLSA-N 322.412 2.768 0 50 DFAA CCc1cnc(CCNC(=O)c2ccc(C(=O)O)cc2F)s1 262440235 SRNNGUMEJFKGHW-UHFFFAOYSA-N 322.361 2.515 0 50 DFAA CSc1ccc(CN2CCC(O)(CN3CCCC3)CC2)cc1 216281325 WCWBNVFTFJJGRH-UHFFFAOYSA-N 320.502 2.831 0 50 DFAA COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nccs1 377255879 YZXVMIFJLUCEDP-LLVKDONJSA-N 324.427 2.678 0 50 DFAA Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c(C)s1 262818015 AHAKEZRDPUAMJH-SNVBAGLBSA-N 318.398 2.875 0 50 DFAA c1nc(CN2CCC[C@@H](c3nncn3C3CC3)C2)oc1C1CC1 378434732 LTGOQXPUAKWHGB-CYBMUJFWSA-N 313.405 2.858 0 50 DFAA Cc1csc([C@@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)n1 128030130 HLYSWSBBWSSKCE-HNNXBMFYSA-N 314.414 2.901 0 50 DFAA O=C(Cc1cn2ccsc2n1)N1CCc2cccc(F)c2C1 128048004 AJGWDRSHNIMXSN-UHFFFAOYSA-N 315.373 2.662 0 50 DFAA CNC(=O)[C@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 333848761 MXHHNEGVEITUKC-LBPRGKRZSA-N 308.451 2.548 0 50 DFAA COc1ccc([C@H](CN(C)C)NC(=O)C2=CCCCC2)cc1 286183302 RKYUSONYSPIAPW-KRWDZBQOSA-N 302.418 2.915 0 50 DFAA COc1cccnc1N(C)C(=O)c1noc2c1CCCCC2 132044860 UJGFUCRHDNQYPO-UHFFFAOYSA-N 301.346 2.624 0 50 DFAA O=C1CCCN1CC[C@H]1CN(C(=O)c2cc[nH]c2)c2ccccc21 176397738 PKKUVMHKHWBXOJ-HNNXBMFYSA-N 323.396 2.771 0 50 DFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1cc(Cl)ccc1Cl 288005849 BDAQJHYKMCOTGY-VIFPVBQESA-N 301.173 2.991 0 50 DFAA CCOc1ccc(CN(CCOC)C(=O)[C@H]2CC23CC3)cc1 426401560 CDSGBYJCCRTFGP-MRXNPFEDSA-N 303.402 2.860 0 50 DFAA Cc1noc(C)c1NC(=O)Nc1cccc(CCC(=O)O)c1 263463908 FMKFSVBCHNEGEL-UHFFFAOYSA-N 303.318 2.953 0 50 DFAA COc1ccc(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(F)c1 426647090 LOHXLNRRJIXYRB-BPQIPLTHSA-N 323.408 2.993 0 50 DFAA Cc1csc([C@@H]2CN(C[C@@H](O)c3ccccc3)CCO2)n1 222188881 LHSMCXJQBDEULT-CABCVRRESA-N 304.415 2.558 0 50 DFAA CCN1CCCC[C@@H]1CNC(=O)c1c(OC)ccc(F)c1F 223071733 OQOOAABXULMYDD-LLVKDONJSA-N 312.360 2.578 0 50 DFAA CNC[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 179002106 OKFRZQYWXLYNRR-CQSZACIVSA-N 311.385 2.555 0 50 DFAA C[C@H](c1cncs1)N(C)C(=O)c1nc2ccccn2c1F 91894553 CILWURVSEPGZFB-SECBINFHSA-N 304.350 2.763 0 50 DFAA CC(=O)N[C@@H](C)Cc1nc(C)nn1-c1ccc2ccccc2c1 96150118 ORISKCIUHIOGRX-LBPRGKRZSA-N 308.385 2.796 0 50 DFAA CCCc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)[nH]n1 91713605 OGGYGYPHXFNONT-GFCCVEGCSA-N 312.295 2.791 0 50 DFAA CCn1nc(CCOC)nc1[C@@H](C)Oc1ccc(F)cc1F 96149076 XSRYGKNDKYVAFC-SNVBAGLBSA-N 311.332 2.905 0 50 DFAA Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 267846913 PDOCAJZTIPOFCV-UONOGXRCSA-N 300.333 2.575 0 50 DFAA CCCOc1ccc(OCCN2CCN3CCC[C@@H]3C2)cc1 244884273 YISFAWFIHJLPFX-MRXNPFEDSA-N 304.434 2.634 0 50 DFAA COc1cccc2ccc(N[C@H]3COC[C@@H]3N3CCCC3)nc12 534664260 CMQMYMADOSIPBS-GJZGRUSLSA-N 313.401 2.519 0 50 DFAA Cc1cc(=O)c(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)cn1C 621219642 HVFCOWPSDLQVDI-HXUWFJFHSA-N 324.424 2.791 0 50 DFAA COc1cccc([C@@H]2CCCN2C(=O)CCc2cnccn2)c1 280026343 UHVCONWWQPLZEG-KRWDZBQOSA-N 311.385 2.782 0 50 DFAA CN1CC[C@@H](N(C)C(=O)Nc2cccc(-c3cscn3)c2)C1 299792495 DXRGPKYBBSXSKL-CQSZACIVSA-N 316.430 2.978 0 50 DFAA CN(C)[C@H]1CCCN(Cc2cnn(-c3ccccc3F)c2)CC1 823662623 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COCc1cccc(CC(=O)N2CCOc3cccc(F)c32)c1 188542941 IXBJNTLWODDUGO-UHFFFAOYSA-N 315.344 2.940 0 50 DFAA CC(C)c1nnc2ccc(NC(=O)[C@@H]3COc4ccccc43)cn12 189281123 CYVCGPIDFYOTLJ-CQSZACIVSA-N 322.368 2.967 0 50 DFAA CN(Cc1ccc2c(c1)OCCO2)C(=O)N1CCCCCC1 641741743 IBENZYINBLFMQF-UHFFFAOYSA-N 304.390 2.886 0 50 DFAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)c1cc(C2CC2)no1 653328889 ONJIEOXTJAILCO-GXTWGEPZSA-N 312.325 2.595 0 50 DFAA COc1ccc(-c2noc(C[C@@H](C)n3cccn3)n2)c(OC)c1 1615044471 CVFHFZFDEIDUIJ-LLVKDONJSA-N 314.345 2.754 0 50 DFAA O=c1oc(CN2CCOC[C@H]2C2CCC2)c(-c2ccccc2)o1 1615548331 DAECZWLBJLXDMT-HNNXBMFYSA-N 315.369 2.901 0 50 DFAA Clc1ccc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)cc1 1615964901 PWHUGAMHFZJCET-IRXDYDNUSA-N 306.837 2.635 0 50 DFAA O[C@H](c1ccccn1)C1CCN(C2CSCCSC2)CC1 1506396679 DZUJEDBSVSIHCU-INIZCTEOSA-N 324.515 2.676 0 50 DFAA CCCN(c1ccc(CC)cc1)S(=O)(=O)Cc1ccno1 1434572156 KXORGCVCZVJJOT-UHFFFAOYSA-N 308.403 2.983 0 50 DFAA Cc1cc(C(=O)N(C)Cc2cccc3cccnc23)nc(C)n1 1506426491 IQGOVDBVYUCMQP-UHFFFAOYSA-N 306.369 2.914 0 50 DFAA CCN(CCCc1ccccc1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704303475 JWFLICZXFFHOKH-FGTMMUONSA-N 319.445 2.644 0 50 DFAA O[C@@H]1CN(c2nccs2)C[C@H]1Cc1ccc2ccccc2n1 1857737373 JNIZGXGGKJMOAS-CZUORRHYSA-N 311.410 2.731 0 50 DFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)N(C)C3CCCC3)C2)n1 253395022 HCWINKNGVARRRI-HNNXBMFYSA-N 319.453 2.601 0 50 DFAA COc1ccc2c(c1)OCCN(C(=O)c1ncoc1C1CC1)C2 329160043 FBFOLXOMJBWKHI-UHFFFAOYSA-N 314.341 2.595 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCOc2ccccc2Cl)C1 643859858 SHCVNADNMYVNAD-OCCSQVGLSA-N 321.808 2.904 0 50 DFAA Cc1nn(C)c2ncc(NC(=O)[C@H]3OCCc4ccccc43)cc12 137073824 SSSZEYWPAWKIMC-INIZCTEOSA-N 322.368 2.529 0 50 DFAA CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)NCc1ccnc(C)n1 137172346 BIUYLQPXPKYWFP-HUUCEWRRSA-N 320.437 2.520 0 50 DFAA Cc1cnc(O)n1-c1cccc(-c2noc(-c3cccnc3)n2)c1 356450067 WTCLZMANSSFULK-UHFFFAOYSA-N 319.324 2.998 0 50 DFAA Cc1cccc(C(=O)NCCN[C@@H](C2CCC2)[C@H]2CCOC2)c1 864097434 VUIKWWUDROBGAW-ROUUACIJSA-N 316.445 2.520 0 50 DFAA CC(C)c1nsc(NC(=O)c2ccc([S@@](C)=O)cc2)n1 874698250 YVGORGYQKNBKTK-HXUWFJFHSA-N 309.416 2.651 0 50 DFAA CC(C)=CCN(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952883051 MIZCFXBAHHIQJS-LLVKDONJSA-N 302.344 2.801 0 50 DFAA CCCNC(=O)OC[C@@H]1CCCCN1Cc1ccn(CC)c1 952846155 MTAJUVURPFJSOG-INIZCTEOSA-N 307.438 2.999 0 50 DFAA COc1nsc(CNC[C@@](C)(O)c2ccccc2)c1Cl 952994662 SQOWRZYDEMSTBB-CQSZACIVSA-N 312.822 2.802 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3ccccc3F)n[nH]c21 1875288434 CTFZRPCOZOTRNC-MNOVXSKESA-N 317.364 2.544 0 50 DFAA C=CC(=O)N(Cc1cc(C)ccc1C)[C@@H](C)CS(=O)(=O)CC 1875381901 KSNBUNCTZNGJFW-HNNXBMFYSA-N 323.458 2.641 0 50 DFAA O=c1[nH]nc(CSCc2csc(-c3ccccc3)n2)[nH]1 4779422 OWFAJNCBKDLAJE-UHFFFAOYSA-N 304.400 2.655 0 50 DFAA CO[C@@H](C(=O)O)C1CCN(Cc2ccc(F)c3ccoc23)CC1 2325787904 AUXMERRSHTYOJL-MRXNPFEDSA-N 321.348 2.884 0 50 DFAA C[C@H](N=c1[nH]c(=N)c2ccccc2[nH]1)c1ccc2c(c1)CCCO2 2325858400 LPBWVHJLIANMLG-LBPRGKRZSA-N 320.396 2.962 0 50 DFAA O=C(COc1ccc(CO)cc1Cl)Nc1ccc(F)cc1 470812 GCKSUKDFZLOFMQ-UHFFFAOYSA-N 309.724 2.989 0 50 DFAA OCCNCCCCCCOc1ccc(Br)cc1 2901608 GSTXVVYHVUBTCB-UHFFFAOYSA-N 316.239 2.970 0 50 DFAA Nc1nnc(SCC(=O)Nc2cccc3c2CCCC3)s1 4988422 WSZLSDNFTAQJQO-UHFFFAOYSA-N 320.443 2.730 0 50 DFAA CCS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@H]2CO)cc1 225520909 FWEDBOFSXIIGHK-BBRMVZONSA-N 311.447 2.833 0 50 DFAA O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CN2CCC1CC2 63885146 GFDRLVFDABMLKY-QBNKABOXSA-N 302.462 2.803 0 50 DFAA C[C@H]1CN(CCN2CC[C@@H](C(F)(F)F)C(C)(C)C2)CCO1 249365961 VVNTVVJJHRQINM-QWHCGFSZSA-N 308.388 2.618 0 50 DFAA Cc1cc(C)cc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 29567445 RSSUIWFXLIQUDD-UHFFFAOYSA-N 310.353 2.763 0 50 DFAA c1ccc(Cn2ccnc2CN2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 110649019 XENPADVYIIMZBP-XMTFNYHQSA-N 309.413 2.541 0 50 DFAA CC(C)CN1CCCN(C(=O)[C@@H](C)n2ccnc2C(C)C)CC1 67921706 WXNSCYWRYGAADR-MRXNPFEDSA-N 320.481 2.758 0 50 DFAA CC(C)N(Cc1nccn1C)C(=O)c1c[nH]nc1-c1ccccc1 67946955 POZXZHFDANEAQD-UHFFFAOYSA-N 323.400 2.861 0 50 DFAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1C[C@@H]2CCC[C@H](C1)C2O 252487206 UPCNNKMGZSMZQR-GJPPYFGTSA-N 303.377 2.549 0 50 DFAA CO[C@@H]1CCCN(c2ccc(-c3nc(C4CC4)no3)cn2)C1 39379783 XFOFWWZMBPJCIB-CYBMUJFWSA-N 300.362 2.624 0 50 DFAA Fc1ccc2ncnc(NC3CCN(c4cccnn4)CC3)c2c1 428666683 RVDWAGALOWZBAV-UHFFFAOYSA-N 324.363 2.640 0 50 DFAA COc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(C)c1C 252669462 HPJAUEHDONGRNA-SZOQZIPDSA-N 321.442 2.731 0 50 DFAA CC(C)=CCN1CCC[C@@H](c2n[nH]c(=O)n2-c2ccccc2)C1 71755443 BQRKJONMNZYIGA-OAHLLOKOSA-N 312.417 2.706 0 50 DFAA CC1(C)C[C@@H](CN2CCCN(Cc3ccccn3)CC2)CCO1 216038494 FXJOPCNBKSQGOU-KRWDZBQOSA-N 317.477 2.795 0 50 DFAA O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc2[nH]ccc2c1 363344081 FIWROPGTAHDHQI-UHFFFAOYSA-N 317.352 2.679 0 50 DFAA CCCn1ccnc1CN1CCC[C@@H](OCc2ccccn2)C1 72157824 OIAQQBNXZOPFPL-QGZVFWFLSA-N 314.433 2.869 0 50 DFAA O=C(Nc1csc(-c2ccccn2)n1)N[C@H]1CCCC[C@@H]1O 332839173 LLEKEESWOZZVNF-JQWIXIFHSA-N 318.402 2.630 0 50 DFAA O=C(Cn1ccnc1)N1CCCC[C@@H]1CCc1cccc(O)c1 77342919 OEVDWVNZULEBPN-MRXNPFEDSA-N 313.401 2.603 0 50 DFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CCC[C@H]1c1ccn[nH]1 287068112 MOJRUDPXWTURRC-RDJZCZTQSA-N 311.385 2.891 0 50 DFAA Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(C(=O)O)n1 450542969 ISMZDMOXOKIPFL-CYBMUJFWSA-N 312.369 2.791 0 50 DFAA O=C(O)c1cccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 238201182 SVQXZNDWLNEGDT-INIZCTEOSA-N 317.385 2.949 0 50 DFAA CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cc(C)on1 284331219 OVJONIGRWRMBGQ-UHFFFAOYSA-N 319.386 2.821 0 50 DFAA CCc1ccnc(CNC(=O)N2CC[C@H](OC)C(C)(C)C2)c1 458744778 WUJXQBWNSXOVFT-HNNXBMFYSA-N 305.422 2.601 0 50 DFAA CCCC[C@H](Nc1ncnc2c1CCNCC2)c1cccnc1 72447316 LTBJWVWKTTZTRS-INIZCTEOSA-N 311.433 2.903 0 50 DFAA CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)c1cccnc1C(F)(F)F 287380382 NMGQCGNTECXUPD-VHSXEESVSA-N 322.352 2.910 0 50 DFAA C[C@@H](C(=O)NOC1CCCC1)n1ccc2ccccc2c1=O 287647227 ALUWRHLQBXBYLJ-LBPRGKRZSA-N 300.358 2.553 0 50 DFAA CCOc1cccnc1C(=O)N1CCN(C)c2ccc(F)cc21 177610950 WBDDLKIBEPRKNB-UHFFFAOYSA-N 315.348 2.716 0 50 DFAA NCc1nnc(SC[C@H]2CCCCO2)n1-c1ccc(F)cc1 426649545 HOWYMPVIFLEPAQ-CYBMUJFWSA-N 322.409 2.526 0 50 DFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1nccs1 229917290 POCGGORPSIQSJX-PKZYVASSSA-N 306.387 2.775 0 50 DFAA CCc1cccc(OC2CN(C(=O)[C@@H]3CCCCCN3C)C2)c1 82091414 JTXUUCKKFGDNIS-SFHVURJKSA-N 316.445 2.713 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)NCCc1ccc(OC)cc1 426382660 JOGQMRHGLFYPQT-QGZVFWFLSA-N 320.433 2.838 0 50 DFAA COCC1(C(=O)N2CCC[C@](CO)(CC=C(C)C)C2)CCC1 91908032 OIHSOYPAZNESPH-KRWDZBQOSA-N 309.450 2.761 0 50 DFAA CC[C@H](C)NC[C@H](O)COc1cc(C)c2c(c1C)C(=O)CCC2 96028077 YPKNCFXXBAPHAB-ZFWWWQNUSA-N 319.445 2.950 0 50 DFAA O=C(NCCC[C@H]1CCOC1)c1ccc(CN2CCCC2)cc1 426518991 PKJSCJZUNJVLMX-KRWDZBQOSA-N 316.445 2.829 0 50 DFAA O=C(c1ccc2sccc2c1)N1CCN(c2cnccn2)CC1 91473951 NEZRRRTZRBOVMT-UHFFFAOYSA-N 324.409 2.654 0 50 DFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2cscn2)C1 91808611 XEEZLLZRNVFOQU-OAHLLOKOSA-N 308.403 2.806 0 50 DFAA Cc1cccc(C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)n1 95531612 ODXPBFHDMVTLJD-UHFFFAOYSA-N 318.380 2.979 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@H]1C1CC1 91644620 QLKNZPSDFFEIFG-VHSXEESVSA-N 311.740 2.662 0 50 DFAA O=C1CCN(CCOc2ccc(Br)cc2F)CC1 230554878 KGXGFJQRTJRKKW-UHFFFAOYSA-N 316.170 2.632 0 50 DFAA Cn1nc(-c2ccccc2)c2c(NC(=O)[C@H]3CC3(F)F)n[nH]c21 294747858 AHMRSLJQMHTWLI-SECBINFHSA-N 317.299 2.557 0 50 DFAA CCc1cc(-c2ncnn2Cc2ccc3c(c2)OCO3)ccn1 97495510 QMSCAHSWGXWOPR-UHFFFAOYSA-N 308.341 2.680 0 50 DFAA CCCc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)n[nH]1 91587355 REUGNYPEDPCQDS-KRWDZBQOSA-N 314.433 2.703 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CC(N2CCCC[C@H]2C)C1 244718934 LTSCLJDMYPFNDY-GFCCVEGCSA-N 310.873 2.695 0 50 DFAA O=C(O)C1CCN(C(=O)CCc2cc3ccccc3o2)CC1 299748603 HPMTWXQYEWKFMS-UHFFFAOYSA-N 301.342 2.689 0 50 DFAA NC(=O)c1cccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 183836907 JSSSKKITBRYXLN-ZDUSSCGKSA-N 320.348 2.506 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)c2cnc(N)s2)cc1F 534578257 KZWNIIBVOMWTSZ-QMMMGPOBSA-N 309.366 2.754 0 50 DFAA Cc1noc(C)c1-c1cccc(C(=O)NCC2(C)COC2)c1 299774218 FAPYMOWDGKGCPI-UHFFFAOYSA-N 300.358 2.725 0 50 DFAA Cc1cc(S(=O)(=O)NCc2cnc(C)c(C)c2)c(C)s1 825312952 TUWUVJHNSBXLEP-UHFFFAOYSA-N 310.444 2.855 0 50 DFAA O=C(O)[C@H]1CN(Cc2cncn2C2CCCC2)C[C@@H]1C1CC1 1565509707 OMBVPZADVLHCQN-CVEARBPZSA-N 303.406 2.541 0 50 DFAA c1ccc(CN2CCCC2)c(CNc2ncnc3[nH]ncc23)c1 170639136 CXYKLNHNMOCSSD-UHFFFAOYSA-N 308.389 2.561 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2nccs2)C1(C)C 397806473 DZXDHAOEWRAVGQ-WDEREUQCSA-N 311.451 2.925 0 50 DFAA O=C(O)c1cnc(C2CCN(C(=O)CCC3CC3)CC2)s1 630246201 RSBPIGIYORKEQN-UHFFFAOYSA-N 308.403 2.738 0 50 DFAA COCCC(C)(C)CNC(=O)c1ccc(Br)cn1 185753099 UQXHXWOUXFPMRL-UHFFFAOYSA-N 315.211 2.637 0 50 DFAA CN(CCC1CCOCC1)c1nnc(-c2ccccn2)s1 185790513 CNMVUZIBHUVJHO-UHFFFAOYSA-N 304.419 2.853 0 50 DFAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOc2ccccc2[C@@H]1C 585113976 REKGDCCBNDSCAM-KKUMJFAQSA-N 319.401 2.553 0 50 DFAA C[C@H](CC(=O)N1CCNC(=O)CC1(C)C)Cc1cccc(F)c1 585129060 WZCWWGZOMCAVFV-ZDUSSCGKSA-N 320.408 2.522 0 50 DFAA C[C@H]1CCn2ncc(C(=O)N3CCOCc4ccccc43)c2C1 648376400 AWBPXUMAUNZQNN-ZDUSSCGKSA-N 311.385 2.642 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H]1c1noc(COCC2CC2)n1 1615552046 QUTWKOXQGACYNA-LLVKDONJSA-N 309.366 2.678 0 50 DFAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cc1Cl 213453535 UHSHBCCRRTZUHV-YPMHNXCESA-N 308.809 2.515 0 50 DFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 219503248 FHXYDWBZWDLNMU-HIFRSBDPSA-N 305.447 2.532 0 50 DFAA CC(C)(C)CN1CCC[C@](O)(CNCC2CCCCC2)C1=O 12074159 QPYVDOZBGCCWCM-SFHVURJKSA-N 310.482 2.556 0 50 DFAA CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1F 13778940 NLBCERSJUJIWAA-UHFFFAOYSA-N 310.328 2.939 0 50 DFAA O=C1C[C@@H](NNc2ccccc2)C(=O)N1c1cccc(Cl)c1 18004892 WQDVZDWHSUEXNO-CQSZACIVSA-N 315.760 2.589 0 50 DFAA CN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 19727933 CLNDPGGCZWREBJ-IBGZPJMESA-N 303.365 2.534 0 50 DFAA biogenic O=C(C[C@H]1COC(=O)C1)Nc1cc(Cl)c(Cl)cc1O 408517429 HSLKCIFDMMCQAE-ZCFIWIBFSA-N 304.129 2.591 0 50 DFAA CO[C@@H]1CCC[C@@H](OC(=O)[C@@H](C)NC(=O)CC2CCCC2)C1 221736672 IAIJJZZVRSXFAG-BPLDGKMQSA-N 311.422 2.572 0 50 DFAA CC[C@](C)(O)CNc1ccc2nnc(-c3ccccc3F)n2n1 112079063 PMGMKXPSMALAQZ-INIZCTEOSA-N 315.352 2.503 0 50 DFAA CC[C@H](C)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)on1 236905724 ZSVGJZANCQTINK-HZMBPMFUSA-N 302.330 2.744 0 50 DFAA CC(=O)N1CCN(C(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)CC1 18119198 TXXDFVIPKURLPS-AFGAAMFOSA-N 318.461 2.674 0 50 DFAA CC(C)c1csc(CN2CCC[C@@H](N3CCOCC3)C2)n1 23095245 NRXLNIQSJPDDLI-CQSZACIVSA-N 309.479 2.563 0 50 DFAA O=C(Nc1cccnc1)c1cnn(-c2ccc(F)cc2F)c1 155010736 RCWUSPSVUZUMFU-UHFFFAOYSA-N 300.268 2.798 0 50 DFAA Cc1noc(C2CCN([C@H](C(=O)O)c3ccccc3F)CC2)n1 584534865 HTCDMDULQOKOGM-AWEZNQCLSA-N 319.336 2.522 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1 159865338 PJDSYVXAGBRPGM-CQSZACIVSA-N 318.760 2.968 0 50 DFAA CO[C@@H](CN)CC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 262838249 IPPVJKMOFAPOCO-DTWKUNHWSA-N 305.205 2.534 0 50 DFAA CCN1CC[C@H](N[C@@H](C)C(=O)O)[C@@H]1c1ccc(Cl)c(F)c1 263575558 PETKJGTZDIBBPE-HERUPUMHSA-N 314.788 2.677 0 50 DFAA CO[C@@]1(C)CCCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1 263576128 QAECDPMXBDPTCP-SFHVURJKSA-N 319.401 2.735 0 50 DFAA CC(C)(CN1CCC2(CC1)C[C@](C)(O)CCO2)N1CCCCC1 1704335192 LWCNFLVUIURLFE-GOSISDBHSA-N 324.509 2.647 0 50 DFAA Cc1ncccc1CCNC(=O)Nc1ccnn1C(C)(C)C 930925898 NXULFXINODWTAA-UHFFFAOYSA-N 301.394 2.706 0 50 DFAA Nc1ncccc1CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 932191682 WGBVBRWHFNMPAC-CYBMUJFWSA-N 314.458 2.989 0 50 DFAA Cc1cc(C2CCN(C(=O)c3cccc4c3OCC4)CC2)n[nH]1 935219390 SUCPBCYTAPOAFL-UHFFFAOYSA-N 311.385 2.673 0 50 DFAA COc1cc(CCN(C)c2nc3ccc(F)cc3n2C)ccn1 1875268494 YFWNCUQZICTNLT-UHFFFAOYSA-N 314.364 2.795 0 50 DFAA CCC1=NO[C@@H](C(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)C1 1875299862 YNOHZVSPCQOBNL-IAQYHMDHSA-N 320.364 2.792 0 50 DFAA C[C@@H]1CC=CC[C@H]1NC(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 896030057 GWQUVQSSMDCEAZ-OCVGTWLNSA-N 318.421 2.531 0 50 DFAA O=c1cc(-c2cccs2)sc2nc(-c3ccncc3)nn12 4786653 RLNQVFCYYRQAJH-UHFFFAOYSA-N 312.379 2.942 0 50 DFAA Cn1nnc2c(CNC[C@@H]3CCOc4ccccc43)cccc21 2325805939 GWMFUOZONIJOMZ-ZDUSSCGKSA-N 308.385 2.624 0 50 DFAA Oc1cccc(OCc2cn(Cc3ncoc3C(F)F)nn2)c1 2325863687 TWCXAXOWDLZAQH-UHFFFAOYSA-N 322.271 2.537 0 50 DFAA CC1(C)CCN(C(=O)c2n[nH]c3ccc(F)cc23)CC(C)(C)N1 2325865081 MBLHGZQHUXMFMQ-UHFFFAOYSA-N 318.396 2.695 0 50 DFAA Cc1ccc(NC(=S)NC(=O)C[C@H]2CC(C)(C)OC2=O)cc1 376742 OMIMSKLWXHHKQM-NSHDSACASA-N 320.414 2.540 0 50 DFAA O[C@]1(c2ccccc2)C[N+](Cc2ccccc2)=C2C=CC=CN21 407656 YNIHPCSBUVJIEC-FQEVSTJZSA-N 303.385 2.842 0 50 DFAA Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 568612 XFDJPSWQHAHQAK-UHFFFAOYSA-N 300.383 2.896 0 50 DFAA O=C(NCc1ccncc1)C(=O)Nc1cccc(Cl)c1Cl 2336108 RWXQIVXGLXEPKR-UHFFFAOYSA-N 324.167 2.643 0 50 DFAA O=c1[nH]c(N2CCc3ccccc32)nc(O)c1Cc1ccccc1 2433062 BTFZSPPCSFOWOP-UHFFFAOYSA-N 319.364 2.761 0 50 DFAA Cc1nonc1[C@H]1CCCN1C(=O)c1ccc(O)nc1C(C)C 2356153979 CQVQVJPFBHVOAS-GFCCVEGCSA-N 316.361 2.579 0 50 DFAA CCC[C@@]1(CO)CN(C/C=C/c2ccc(F)cc2)CC[C@@H]1O 2356161790 JZAMFMYDWJBLAY-ZFRRBFPSSA-N 307.409 2.684 0 50 DFAA Cc1sc2nc3c(C(=O)NC(C)C)cccn3c(=O)c2c1C 3906830 SYROSYNZNCPECE-UHFFFAOYSA-N 315.398 2.664 0 50 DFAA CCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1CC 6703388 ALMMOWMFFFCVPY-UHFFFAOYSA-N 320.418 2.600 0 50 DFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 59740485 VNHHUYHNKZKQIC-INIZCTEOSA-N 316.445 2.630 0 50 DFAA COc1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1Cl 54363063 ADSNRSFBJAURPT-JTQLQIEISA-N 303.811 2.912 0 50 DFAA CCOCCN1CCN(CCCOc2ccc(F)cc2)C[C@H]1C 247383661 WFOAPRBHBILCGK-MRXNPFEDSA-N 324.440 2.637 0 50 DFAA CCN(CC)CCNC(=O)C1CCN(C[C@H]2CC=CCC2)CC1 22241636 RFTNKUIIRGBGNW-KRWDZBQOSA-N 321.509 2.513 0 50 DFAA CNC(=O)CC1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 67856419 BASXUMBODDYWGS-INIZCTEOSA-N 320.433 2.869 0 50 DFAA COc1cc(OC)c2nc(N3CCC[C@H](CO)C3)cc(C)c2c1 23634527 OEUSHSUAJQNHMB-ZDUSSCGKSA-N 316.401 2.769 0 50 DFAA CC[C@H](C)Cc1nc(CC(=O)NCc2ccccc2F)no1 350290572 KKJHGIGKGMRQEW-NSHDSACASA-N 305.353 2.656 0 50 DFAA Cc1nc(CN(C)C(=O)[C@@H](C)n2ccnc2C(C)C)cs1 65398936 MNEJPFSAQWBNIG-LLVKDONJSA-N 306.435 2.991 0 50 DFAA CCCN1CCC(NC(=O)c2cnn([C@H](C)CC)c2C)CC1 252508576 XPGWAPGLRRMFKS-CYBMUJFWSA-N 306.454 2.767 0 50 DFAA CNC(=O)c1cccc(CN2c3ccccc3CC[C@@H]2CCO)c1 425484235 ICYNVOBYHFBTBO-GOSISDBHSA-N 324.424 2.750 0 50 DFAA O=C(NC(=O)c1cccs1)OC[C@H]1CCCN2CCCC[C@H]12 6059129 OYSBOQSTNMBOFY-CHWSQXEVSA-N 322.430 2.879 0 50 DFAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N)ncn1 72319665 ZPJZIZPTJRFVIG-UHFFFAOYSA-N 310.354 2.735 0 50 DFAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cccc2cc[nH]c12 328637942 WDBVULNOICDYIX-ZDUSSCGKSA-N 308.385 2.699 0 50 DFAA CCS(=O)(=O)c1ccc(C(=O)N2[C@H]3CCC[C@H]2CC3)cc1 363492441 CQKCCBZVIXWZDP-KBPBESRZSA-N 307.415 2.637 0 50 DFAA C[C@@H](c1nnc(O)[nH]1)n1ccnc1-c1cc(-c2ccccc2)no1 71753248 JJUHYSKYPQPUGC-JTQLQIEISA-N 322.328 2.638 0 50 DFAA CCN(C(=O)[C@@H](C)c1c(C)nn(C)c1C)c1cccnc1C 331257542 DAUGDRNAMSSINZ-NSHDSACASA-N 300.406 2.897 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)NCCN2CCCC[C@H]2C)on1 240465967 GBTKTWPZIALKGR-CABCVRRESA-N 320.437 2.704 0 50 DFAA CO[C@H]1CCCN(C(=O)Nc2cc(-c3ccccc3F)on2)C1 332690911 VBQQGVGILXUYAL-NSHDSACASA-N 319.336 3.123 0 50 DFAA CNC(=O)CC(=O)N1CCC[C@@H]1Cc1ccc2ccccc2c1 372323800 DYUPDGSUEGHPKP-QGZVFWFLSA-N 310.397 2.509 0 50 DFAA NC(=O)C[C@@H]1CCN(C(=O)/C=C/c2cccc3ccccc23)C1 377318518 UIVKPRBXQJTWSX-VFNNOXKTSA-N 308.381 2.577 0 50 DFAA Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@@H](C(=O)O)C3)cc12 237662714 WOKINRKZORZNOM-SNVBAGLBSA-N 304.321 2.552 0 50 DFAA CC[C@@](NC(=O)c1scnc1C)(C(=O)O)c1ccccc1 262434749 MYPWHTSAFQJDIG-HNNXBMFYSA-N 304.371 2.571 0 50 DFAA O=C(COc1cccc2ccccc12)N[C@H]1CCC[C@H]1C(=O)O 262842645 HAHUMBMHGDOUPZ-CABCVRRESA-N 313.353 2.588 0 50 DFAA O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2c(F)cccc2F)C2CC2)C1 263184492 HQWUYYBJAAWEEZ-WDEREUQCSA-N 323.339 2.957 0 50 DFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2ccoc2Cl)n1 289117577 NJETUGOWQXKEJS-JTQLQIEISA-N 324.768 2.565 0 50 DFAA CC1=NO[C@@](C)(C(=O)NCc2nc3ccccc3n2C(C)C)C1 220727830 HCKHLLVETJECKS-QGZVFWFLSA-N 314.389 2.788 0 50 DFAA Nc1nc(CCC(=O)NCc2csc3c2CCCC3)cs1 96164098 UJEDUNLSVCOGEF-UHFFFAOYSA-N 321.471 2.915 0 50 DFAA Cc1cnc(CNC(=O)c2c(-c3ccccc3)noc2C)cn1 96137842 NQOQQUNWPCRVOU-UHFFFAOYSA-N 308.341 2.678 0 50 DFAA CC[C@H](C(=O)NCc1nc(C2CCCCC2)no1)n1cccn1 91893486 ZYTUTLXFJMKJDL-CYBMUJFWSA-N 317.393 2.581 0 50 DFAA CC(C)c1noc(-c2ccc(N3CCN4CCC[C@H]4C3)nc2)n1 248190659 KTTCSAMJMIBZRB-AWEZNQCLSA-N 313.405 2.539 0 50 DFAA CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnc(C)s1 296004246 QQVXUOZJULFYHW-ZDUSSCGKSA-N 321.450 2.941 0 50 DFAA CN(C)c1cccnc1CNC(=O)N1CC(C2CCCCC2)C1 298148793 ZSZUCJJETWASEW-UHFFFAOYSA-N 316.449 2.869 0 50 DFAA CC[C@@H](C)[C@@H](CO)NC(=O)CCn1ccc2c(OC)cccc21 252507707 WSGPTCLSDUCGCE-UKRRQHHQSA-N 318.417 2.563 0 50 DFAA Cn1ccnc1[C@@H](NC(=O)c1cccc2c1NCCC2)C1CC1 534646630 VIUMVFSDBYPOIK-INIZCTEOSA-N 310.401 2.659 0 50 DFAA CC(=O)c1cc2c(N(C)C[C@H]3CCCN(C)C3)nccc2o1 585134664 FCOZUWSTSFSXPY-ZDUSSCGKSA-N 301.390 2.808 0 50 DFAA Cc1ccc(SC2CCN(Cc3nncn3C)CC2)cc1 670448153 RVDLVHVVUHEKQU-UHFFFAOYSA-N 302.447 2.880 0 50 DFAA CCCOc1ccc(CN(C)C[C@H]2CCCCN2C)cc1CO 584886510 CLDBLIFMGMBNQG-GOSISDBHSA-N 320.477 2.884 0 50 DFAA COc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)ccn1 1115872813 LONYBIRCJNWZHI-UHFFFAOYSA-N 308.341 2.587 0 50 DFAA CCCOc1ccc(NC(=O)CNC(=O)C(C)C)cc1Cl 952968621 COIHXQWHFHEBJH-UHFFFAOYSA-N 312.797 2.840 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)C2CCCCC2)C1 958528262 PKAXUYMUOOBQHI-WMLDXEAASA-N 312.454 2.656 0 50 DFAA CC(=O)N[C@H](C)Cc1nc(-c2ccco2)nn1-c1ccccc1C 952985081 TVPDQSCRCFNRMY-CYBMUJFWSA-N 324.384 2.903 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@]2(C)CC=CCC2)c1 408497127 QSLNWTSNXVGRBW-OAHLLOKOSA-N 311.378 2.685 0 50 DFAA COC[C@H](NC(=O)c1cc(C)c(C(=O)O)o1)c1ccc(F)cc1 1599173159 FRRHIZRIXXUGRG-LBPRGKRZSA-N 321.304 2.543 0 50 DFAA CCS(=O)(=O)c1cccc(NC2CCN(C(C)C)CC2)c1 170593831 XTBYRCPWRUGKQE-UHFFFAOYSA-N 310.463 2.765 0 50 DFAA C[C@@H](CC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccccc1 192699911 RQBPESXSQBDODO-AWEZNQCLSA-N 314.429 2.697 0 50 DFAA COc1ccc(N(C(=O)Cc2cnn(C)c2)[C@H](C)C2CC2)cc1 195345912 ALTOBMBXJGMWRL-CYBMUJFWSA-N 313.401 2.803 0 50 DFAA C[C@H](C[C@@H]1CCCCN1C)NC1CCN(c2nccs2)CC1 1615549465 HUQKIPFYUKLKLF-ZBFHGGJFSA-N 322.522 2.964 0 50 DFAA Cc1cc(CNC(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)on1 1615615989 WJUKVJYXKNOJQS-NSHDSACASA-N 320.368 2.749 0 50 DFAA O[C@@H](c1ccccn1)C1CCN(C2CSCCSC2)CC1 1506396687 DZUJEDBSVSIHCU-MRXNPFEDSA-N 324.515 2.676 0 50 DFAA Cc1ccc(N2C(=O)/C(=C\NN(C)C)c3ccccc3C2=O)cc1 440590 BIWMPEASXHNXKN-ATVHPVEESA-N 321.380 2.589 0 50 DFAA COCCOC1CCN(Cc2nc(-c3ccoc3)oc2C)CC1 12718405 NBTBRIZCPJNLTG-UHFFFAOYSA-N 320.389 2.870 0 50 DFAA CCN1CCN(C(=O)C(C)(C)Oc2ccccc2Cl)CC1 16604432 HLBKYLIYWDRFGF-UHFFFAOYSA-N 310.825 2.662 0 50 DFAA CC(C)CCNC(=O)C1CCN(C(=O)c2cccs2)CC1 16626420 KOTPMMCKEDHZNB-UHFFFAOYSA-N 308.447 2.763 0 50 DFAA CN1C[C@@H](n2ccnc2-c2cccc3ncccc23)CCC1=O 1857699342 RXKNSYDPAKZNGA-ZDUSSCGKSA-N 306.369 2.892 0 50 DFAA O=C(NC1Cc2ccccc2C1)[C@H]1CC[C@H](c2ccccc2)N1 1857710654 IWLBVGJCYXPSOA-RTBURBONSA-N 306.409 2.763 0 50 DFAA CC(C)(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](N)[C@H](O)C1 1857724438 DQWPOBYLYBWHIB-RRFJBIMHSA-N 314.433 2.656 0 50 DFAA CCn1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)cn1 328643885 ZBFGUOUCBHMQRB-GFCCVEGCSA-N 318.446 2.860 0 50 DFAA NC(=O)[C@H]1CC[C@H](CNc2cnc(-c3ccccc3)cn2)CC1 420612728 VQFWHEINGVIEKQ-CTYIDZIISA-N 310.401 2.847 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cccc(F)c1F 246404942 UILAMYVQWMKMTB-HONMWMINSA-N 323.339 2.752 0 50 DFAA Cc1ccnc(N2CCN(C(=O)Nc3ncc(C)s3)CC2)c1 152375310 GVZPOKQOYRGOSO-UHFFFAOYSA-N 317.418 2.509 0 50 DFAA C[C@H](N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)c1nccn1C 397894297 QHRDYGOLFGGLLN-AVGNSLFASA-N 322.453 2.763 0 50 DFAA C[C@H]1C[C@@H]1C(=O)Nc1ccc2cc(Br)cnc2n1 900672302 OHXRPXQIWIAOSN-XVKPBYJWSA-N 306.163 2.987 0 50 DFAA COc1ccc(Cl)c2c1CCC[C@@H]2NCc1nncn1C 903067531 UHLUVVBAZRRPMA-LBPRGKRZSA-N 306.797 2.644 0 50 DFAA COc1nccc(C(=O)N2CCCc3ccc(F)c(Cl)c32)n1 905983076 VXQAQOSMOAOSMC-UHFFFAOYSA-N 321.739 2.871 0 50 DFAA Cc1nc(C)c(CN[C@H](c2c(C)nn(C)c2C)C(F)(F)F)[nH]1 930084915 DPJCJWDQHACBPY-CYBMUJFWSA-N 315.343 2.770 0 50 DFAA CC(C)c1ccoc1C(=O)Nc1nc(-c2cnn(C)c2)ns1 1120090675 SLPDBXKILBTXKL-UHFFFAOYSA-N 317.374 2.907 0 50 DFAA O=C(NC1Cc2ccccc2C1)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875346174 VQGGMQYXGKTUFH-SFHVURJKSA-N 324.355 2.602 0 50 DFAA O=C1CCCCN1c1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1 1875381278 PGLIPNDIIQZMTB-LPHOPBHVSA-N 300.402 2.677 0 50 DFAA C[C@@H]1CC2(CCNCC2)CN1Cc1nc2cccc(F)c2[nH]1 1775986547 QVELXPAXADBGFZ-GFCCVEGCSA-N 302.397 2.666 0 50 DFAA CCn1cc(Cl)c(C(=O)Nc2ccc(OC)c(OC)c2)n1 1432205 CLASNMGCTROMMF-UHFFFAOYSA-N 309.753 2.826 0 50 DFAA COC(=O)c1c(C)oc2ccc(OCC(=O)OC(C)C)cc12 307713 RDKOVSJDNFPXFO-UHFFFAOYSA-N 306.314 2.858 0 50 DFAA biogenic CC[C@@](C)(N)c1cn(Cc2[nH]nc(-c3ccccc3)c2C)nn1 2325787565 HPZYQOCYCZQMAO-QGZVFWFLSA-N 310.405 2.609 0 50 DFAA Cc1ncc(CCNC(=O)[C@@H](C)c2cn(C)c3ccccc23)[nH]1 2325802129 JSQRKHSOVOSDEM-LBPRGKRZSA-N 310.401 2.672 0 50 DFAA Cc1cc(C)n(-c2ccc(CN3C[C@@H]4CC[C@]4(CN)C3)cc2)n1 2325814046 LBYXNCJQOMUZLD-HKUYNNGSSA-N 310.445 2.660 0 50 DFAA CC(C)(C)NC(=O)CSc1nccn1Cc1ccccc1 307031 VSIKILIOKWAHEZ-UHFFFAOYSA-N 303.431 2.938 0 50 DFAA CC[C@H](C(=O)NN1C(=O)c2ccccc2C1=O)c1ccccc1 1066700 HZQUTCJOCPXCOX-ZDUSSCGKSA-N 308.337 2.508 0 50 DFAA CCOC(=O)C[C@@H](N)c1ccc(CC)c(Br)c1 2582542 RXSFWGRJYSOXPA-GFCCVEGCSA-N 300.196 2.965 0 50 DFAA C[C@@]1(O)CCOC2(CCN(Cc3cc(F)cc(F)c3)CC2)C1 2356159809 RCYVLMQVLYWXBQ-MRXNPFEDSA-N 311.372 2.861 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2)CC1 2356162528 MBJTWZPCURJBMO-QAQDUYKDSA-N 313.401 2.619 0 50 DFAA COC(=O)[C@@H](C(=O)N1CCCc2ccccc21)C1CCCC1 2810723 VELBRRHEXRUMKR-MRXNPFEDSA-N 301.386 2.945 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)CCn1c(=O)oc2ccccc21 4511498 ZQBHTKCPJRXAGB-ZDUSSCGKSA-N 322.364 2.962 0 50 DFAA O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCc2ccccc2C1 4731675 XEEBMKSTGRSHPF-QGZVFWFLSA-N 320.392 2.624 0 50 DFAA CN1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 6697309 QALHFRUXWBBOQG-UHFFFAOYSA-N 310.397 2.653 0 50 DFAA Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)[nH]n1 110976960 YGRKNJOVCRVESA-ALOPSCKCSA-N 324.428 2.644 0 50 DFAA O[C@H](CN1CCCC[C@H]1Cn1cccn1)c1cccc(F)c1 247762027 HZJNURYUUVBBSF-DLBZAZTESA-N 303.381 2.610 0 50 DFAA CCC[C@@H]1COCCN1C(=O)CCc1nc2ccccc2[nH]1 67447055 PPQIIQUAFMKEGG-CYBMUJFWSA-N 301.390 2.523 0 50 DFAA O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccs2)CC1 20784669 IKQWRYDXRFKWPG-IRXDYDNUSA-N 308.491 2.602 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1c(C)noc1C 249682202 BZQKWSNQWVSTNP-IAGOWNOFSA-N 319.449 2.699 0 50 DFAA c1coc(-c2nc3nccc(-c4ccc5c(c4)OCO5)n3n2)c1 67631222 MHRSBBBZXGCZIN-UHFFFAOYSA-N 306.281 2.780 0 50 DFAA COc1ccc2cc(CN(C)CCc3ccccn3)c(=O)[nH]c2c1 67908898 OKPQMQXCNHHFRS-UHFFFAOYSA-N 323.396 2.606 0 50 DFAA O[C@@H]1c2ccccc2C[C@H]1N1CCO[C@H](c2cccs2)C1 253418690 VNKXAHRQWAOWOL-HLLBOEOZSA-N 301.411 2.780 0 50 DFAA CC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 252477786 VNUBKMIHKLMXMD-DAXOMENPSA-N 318.417 2.754 0 50 DFAA CN(Cc1ccsc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 426482744 GRDOSTRSPHWPSP-GJZGRUSLSA-N 320.437 2.583 0 50 DFAA Cc1cc(-n2cccn2)ccc1CN1C[C@H]2CC[C@@H]1CN(C)C2 215163000 PSSYYDKGVASGKV-QFBILLFUSA-N 310.445 2.707 0 50 DFAA CNCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 253432857 OVKIMCAGGCBFPL-UHFFFAOYSA-N 313.188 2.645 0 50 DFAA CCc1ccc(CN2CCN(CC=C(C)C)[C@H](CCO)C2)o1 39371692 CISXTCQTOSUPPS-MRXNPFEDSA-N 306.450 2.677 0 50 DFAA Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CC[C@H](CO)CC2)c1 152276181 WNMNWFKVBLSLEH-IYBDPMFKSA-N 316.445 2.876 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(CCO[C@@H]2CCCC[C@H]2C)C1 328618360 DRFDRFLAYGEJMB-DTZQCDIJSA-N 323.437 2.735 0 50 DFAA CC[C@@H](c1cccc(OS(=O)(=O)O)c1)[C@@H](C)CN(C)C 77313264 HPEFZESOUVTBSA-SMDDNHRTSA-N 301.408 2.560 0 50 DFAA in-vitro O=C1CCCN1C1CCN(c2ncccc2C(F)(F)F)CC1 71751662 GZRMOQOVYLGOTE-UHFFFAOYSA-N 313.323 2.692 0 50 DFAA CCc1nc(NC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4OC)sc1C 367905451 WPYZKZXVXQROHP-CVNCSBKSSA-N 321.446 2.901 0 50 DFAA CCC1=C(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)CCCO1 368291991 SUBHQYRYDGHFKM-LJQANCHMSA-N 315.413 2.624 0 50 DFAA CO[C@@H]1CC[C@H]2OCCN(CCC(=O)c3ccc(F)cc3)[C@H]2C1 240444199 FWNKJFKPOYSMAT-SOLBZPMBSA-N 321.392 2.667 0 50 DFAA CC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C1CC(O)C1 219747818 JEQPYFDTHOJKPO-ORHYLEIMSA-N 315.335 2.914 0 50 DFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H](C)Cn2ccnc2)s1 241961301 URFRBIUUBDEIDJ-YUTCNCBUSA-N 303.431 2.809 0 50 DFAA CCSc1cccnc1C(=O)Nc1n[nH]c(C(F)(F)F)n1 449261963 FYPBLICTWOQRGT-UHFFFAOYSA-N 317.296 2.583 0 50 DFAA CN1CCC(N(C)C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72433901 DZVCZWBRXCRRQK-UHFFFAOYSA-N 318.461 2.556 0 50 DFAA CCSCCCNC(=O)Nc1ccccc1Cn1cncn1 282703164 JXWYCUNWZIJWOW-UHFFFAOYSA-N 319.434 2.591 0 50 DFAA COc1ccc2c(c1F)CC[C@H]2NCCc1nnc(C)s1 289875179 RQQSUDXVDVCSRX-GFCCVEGCSA-N 307.394 2.814 0 50 DFAA COc1cccc(F)c1C(=O)N[C@@H](C)Cc1cccc(C)n1 220634141 GSTZTLIQSSFJLN-LBPRGKRZSA-N 302.349 2.899 0 50 DFAA O=C(CCN1CCC[C@](CO)(CC2CC2)C1)NC1CCCCC1 92081701 ZTWGABYRHUHUKD-IBGZPJMESA-N 322.493 2.700 0 50 DFAA Cc1ccccc1-c1cccc(CN2C[C@H](O)[C@@H](N(C)C)C2)c1 97528021 FJANKWGTXCMACC-PMACEKPBSA-N 310.441 2.769 0 50 DFAA Cc1nc(CN(C)C(=O)[C@@H]2COc3ccccc3C2)cs1 91288920 UUNMBRSEKHCGEN-ZDUSSCGKSA-N 302.399 2.661 0 50 DFAA Cc1cc(NC(=O)CN(C)CCCn2cccn2)ccc1Cl 244718785 LQROPHWFHAZVJQ-UHFFFAOYSA-N 320.824 2.806 0 50 DFAA O[C@H]1C[C@H]([C@H](Cc2ccccn2)Nc2cnc3ccccc3n2)C1 244899752 ZPKUBPRSGGTWFR-YEWWUXTCSA-N 320.396 2.819 0 50 DFAA C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@H]1[C@@H]3C[C@H](O)C[C@@]3(C)CC[C@H]12 257345943 NJFDVXNNCYQDEC-SLVVVHHCSA-N 308.462 2.722 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC[C@H]1CCCCO1 299743106 LUSZMXPPHOLZAI-YJNKXOJESA-N 309.406 2.580 0 50 DFAA Nc1cc(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccn1 298563930 PSHYJGPFPDUQSV-FGTMMUONSA-N 309.413 2.668 0 50 DFAA Cc1ccc2c(c1)c(CN[C@H](C)CCn1ccnc1C)nn2C 534590053 STXYNTOCSUFKKY-CQSZACIVSA-N 311.433 2.955 0 50 DFAA CC(C)c1nccn1CCCNC(=O)c1onc2c1CCCC2 670460931 CFMGMTFAULXMBT-UHFFFAOYSA-N 316.405 2.693 0 50 DFAA C[C@H](NC(=O)NC1CSC1)c1ccc(OC(F)F)cc1 1426538942 CAXHUHRJBAWNGW-QMMMGPOBSA-N 302.346 2.764 0 50 DFAA C[C@@H](O)c1nc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2[nH]1 952974392 INSNATCZGGWSNO-SNVBAGLBSA-N 323.352 2.803 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)O1 268955535 XJDJYPBDAWLEAP-DFBGVHRSSA-N 323.364 2.805 0 50 DFAA CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CCOC2(CCC2)C1 269088271 ZRJJVFHRBUYKMT-DMZKTXOQSA-N 321.442 2.646 0 50 DFAA O=C1CN(Cc2ccccc2)C(=O)N1[C@H]1CCOC2(CCC2)C1 277892696 HDCBLSAULGEJHL-HNNXBMFYSA-N 314.385 2.553 0 50 DFAA C[C@H](CCO)NC(=O)Nc1cc(F)cc(Br)c1F 279049834 YIBKHUFMTWPQMS-ZCFIWIBFSA-N 323.137 2.620 0 50 DFAA Cc1cncn1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 170619085 UVKPSJOGBANKJG-UHFFFAOYSA-N 319.355 2.876 0 50 DFAA CC(C)Oc1ccccc1C(=O)Nc1ncc(CCO)s1 673541561 WAJCLHGKAFMTNT-UHFFFAOYSA-N 306.387 2.717 0 50 DFAA CN(CCC(=O)N1CC[C@@]2(CCCOC2)C1)c1ccccc1 585081548 DKVAEFPQLIQUJN-SFHVURJKSA-N 302.418 2.542 0 50 DFAA Cc1nn(-c2ccnc(C(F)(F)F)c2)c(C)c1[C@H]1CCC(=O)N1 634617991 CUUFFSNSZGKGCN-LLVKDONJSA-N 324.306 2.854 0 50 DFAA Cn1cncc1CCC(=O)N[C@@H](c1ccccc1)c1cccnc1 188911404 GOUWSMVHJVGSKY-IBGZPJMESA-N 320.396 2.654 0 50 DFAA O=C([C@H]1CCCc2[nH]ncc21)N1CCC(c2ccncc2)CC1 192286340 MRUYROKTWDUQDV-HNNXBMFYSA-N 310.401 2.631 0 50 DFAA CSCC1(CC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)CC1 596009266 QODRENMIHQQGRM-UHFFFAOYSA-N 307.463 2.854 0 50 DFAA CC[C@@H](NCCc1cccnc1)[C@H](C)NC(=O)OC(C)(C)C 1875274008 WOESVJWTYYLMOF-DZGCQCFKSA-N 307.438 2.906 0 50 DFAA CC1(C(=O)N[C@H]2COC[C@@H]2Cc2ccnc3ccccc23)CC1 1616074132 WTBOKGQZGWSXRK-YOEHRIQHSA-N 310.397 2.709 0 50 DFAA N=[S@]1(=O)CCN(Cc2cnc(C3CC3)nc2)c2ccccc21 1616034445 LURVLGMBAZBZBU-QFIPXVFZSA-N 314.414 2.780 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCc1ccncc1)C2 1704335624 CHJXHPFFNULAGR-SJLPKXTDSA-N 302.418 2.822 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)Cc1cc(Cl)ccc1Cl 237598073 GENBOKAOFKZNCM-JOYOIKCWSA-N 301.217 2.874 0 50 DFAA CC(C)c1ccc(Cl)c(S(=O)(=O)N(C)[C@@H](C)C(=O)O)c1 262129423 NQZHTDBEFONZOT-VIFPVBQESA-N 319.810 2.557 0 50 DFAA COc1cccc([C@H]2CCN2C(=O)c2onc3ncccc23)c1 1772814235 PECKAASMRZSVON-CQSZACIVSA-N 309.325 2.819 0 50 DFAA O=C(C[C@@H](NC1CCCCC1)C(=O)O)Nc1ccc(F)cc1 5042017 IMSICKVINSDLLV-CQSZACIVSA-N 308.353 2.530 0 50 DFAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)n2ncnc2N1 13125262 WSHHPJPOKKUUFP-HNNXBMFYSA-N 321.340 2.799 0 50 DFAA COC[C@@H](C)n1ccnc1-c1cc2cc(OC)ccc2[nH]c1=O 1857691207 ABEACLLQPOGVMT-LLVKDONJSA-N 313.357 2.608 0 50 DFAA CCn1nncc1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 332013988 RTXJOKPWTVHQAD-UHFFFAOYSA-N 312.417 2.794 0 50 DFAA COC(=O)CC1(NC(=O)c2cc3ccc(OC)cc3s2)CC1 601652541 NNFPBRVTRUQZKB-UHFFFAOYSA-N 319.382 2.735 0 50 DFAA CC(C)c1cccc(O[C@@H](C)C(=O)N2CC[C@@H](N)C[C@H]2C)c1 408519146 HMCBFSARBFSDCD-IJEWVQPXSA-N 304.434 2.916 0 50 DFAA C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2csc(CN)n2)C1 237497202 ZZFWASYGTCCHND-QMTHXVAHSA-N 319.405 2.964 0 50 DFAA CCc1cc2c(N[C@H](C)CO[C@@H]3CCOC3)ncnc2s1 133828331 NPIFRKYTVSLJHO-GHMZBOCLSA-N 307.419 2.860 0 50 DFAA C1CC([C@@H]2COCCN(Cc3nnc(C4CC4)n3C3CC3)C2)C1 366423669 WBJHIOYWNYECJQ-HNNXBMFYSA-N 316.449 2.739 0 50 DFAA C[C@]1(C(=O)O)CCCN(C(=O)c2cc(F)cc3cccnc23)C1 262924828 FYLNNGBIQUPHQV-KRWDZBQOSA-N 316.332 2.701 0 50 DFAA C[C@@]1(c2nc(Cc3ccc(F)c(Cl)c3)no2)CCNC(=O)C1 904113794 SHBOEPMIQYSVKC-OAHLLOKOSA-N 323.755 2.621 0 50 DFAA CC(C)c1nc(C[S@](=O)Cc2nc3ccccc3[nH]2)no1 905184330 MDRHFLIVCXGLQC-OAQYLSRUSA-N 304.375 2.518 0 50 DFAA CC1(c2ccccc2C(=O)NCc2ccc(C(=O)O)cn2)CC1 907846583 JDLLJXSWNSEVKY-UHFFFAOYSA-N 310.353 2.761 0 50 DFAA CC(C)(C)OC1CC(CC(=O)N[C@@H]2CCCC[C@@H]2C(=O)O)C1 910141448 TWQHUBWBEVZYIQ-CLRIEMFWSA-N 311.422 2.730 0 50 DFAA Cn1cc(Cl)c(NC(=O)C[C@H]2CC(=O)Nc3ccccc32)n1 829862679 RKBGOROUTZASQU-SECBINFHSA-N 318.764 2.528 0 50 DFAA Cc1nccc([C@@H]2CCCN(c3nnccc3C(F)(F)F)C2)n1 1875286233 LPXXGUCSJHZKDB-LLVKDONJSA-N 323.322 2.978 0 50 DFAA COc1cc(Cl)c(F)c(C(=O)N2CCC3(CC2)COC3)c1 1875274498 DUODXZOOXQPPLC-UHFFFAOYSA-N 313.756 2.740 0 50 DFAA FC1(F)C[C@H]1OCCn1ncc2cncc(Br)c21 1875323077 WGADCGGMJJHCLF-SECBINFHSA-N 318.121 2.618 0 50 DFAA C=CC(=O)N(Cc1c(C)cc(Cl)cc1C)C[C@@H]1COCCO1 1875374489 STLZGFWBOJYSJR-OAHLLOKOSA-N 323.820 2.887 0 50 DFAA COc1ccc(NC(=O)CCCn2cc(C3CC3)nn2)cc1C 1875323249 CKCXYNJNEMCIBQ-UHFFFAOYSA-N 314.389 2.891 0 50 DFAA O=C(O)[C@]1(O)CCCN(Cc2ccc(-c3ccccc3)cc2)C1 888097605 UIZSLWOZPZMXDU-IBGZPJMESA-N 311.381 2.765 0 50 DFAA Cc1cccc2[nH]c(CN(C)Cc3ccnc(N(C)C)n3)cc12 2325757196 ROLNEDZEIZKHCP-UHFFFAOYSA-N 309.417 2.964 0 50 DFAA O=c1n(Cc2cc3n(n2)CCCC3)c2ccccc2n1C1CC1 2325788034 IRNAGRHNYNDCCR-UHFFFAOYSA-N 308.385 2.719 0 50 DFAA CC(F)(F)c1ccnc(Nc2ccc3[nH]c(C(N)=O)cc3c2)n1 2325853877 FPCIRTBEAUCPDP-UHFFFAOYSA-N 317.299 2.912 0 50 DFAA CC(=O)N1CCC[C@H]1[C@H]1CCN(C(=O)c2cc(F)ccc2C)C1 2325875459 SNAGMSCJNQVOKB-YOEHRIQHSA-N 318.392 2.607 0 50 DFAA COc1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 207347 YCUYKOHSKRWUTF-INIZCTEOSA-N 315.325 2.994 0 50 DFAA biogenic COc1ccc(NC(=O)N(CCO)C2CCCCC2)c(OC)c1 399432 UHHVDULKYQTRHM-UHFFFAOYSA-N 322.405 2.863 0 50 DFAA O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1 529721 QPFWHBGRGCQCAZ-UHFFFAOYSA-N 312.354 2.862 0 50 DFAA CCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1 1054354 IHQNCUIHOQVFGD-UHFFFAOYSA-N 318.373 2.535 0 50 DFAA CCOC(=O)N1CCN(C(=S)Nc2cccc(C)c2C)CC1 8682773 SYDIJNIPVCIVBT-UHFFFAOYSA-N 321.446 2.774 0 50 DFAA O=C(NCCOCc1ccccc1)Nc1ccn2ccnc2c1 225522214 GYLRPPWFLUTVPN-UHFFFAOYSA-N 310.357 2.673 0 50 DFAA Cc1ccccc1CN(CC(F)F)C1CCS(=O)(=O)CC1 225674484 UHHQOQWVABTRGK-UHFFFAOYSA-N 317.401 2.639 0 50 DFAA CN(Cc1nccn1C)C(=O)CCSCc1ccc(F)cc1 55252250 CGQIBTZNVSSKDJ-UHFFFAOYSA-N 321.421 2.841 0 50 DFAA Cc1cc(N(C)CC[C@@H](O)c2ccccc2)n2nc(C)cc2n1 72481293 IXGGKBDQHTVODB-MRXNPFEDSA-N 310.401 2.906 0 50 DFAA CCC(CC)C(=O)NCC1(N2CCN(CC)CC2)CCCCC1 28403205 PSGXFESQTRPROA-UHFFFAOYSA-N 323.525 2.879 0 50 DFAA O[C@H]([C@@H]1CCCCN1Cc1nc2ccccc2[nH]1)C(F)(F)F 353744643 GWPXNEOADNIKMZ-GXTWGEPZSA-N 313.323 2.841 0 50 DFAA CC(C)c1nc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)n[nH]1 253432105 IWKMJTSFIMVEIG-DZGCQCFKSA-N 300.406 2.890 0 50 DFAA C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1 252487119 RVFYIHXXOZTXQE-HGTKMLMNSA-N 317.433 2.781 0 50 DFAA CCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)cc1 252537190 KPNMVPCCZXTXBD-MRXNPFEDSA-N 302.418 2.512 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccccc1F 36620348 CAAPOCQMLKFICD-CQSZACIVSA-N 324.377 2.956 0 50 DFAA O=C(NC[C@H]1CCN(Cc2ccoc2)C1)C1(c2ccccc2)CC1 67604709 RWGAFWVTUMLHCR-MRXNPFEDSA-N 324.424 2.950 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)NC2CCCCC2)C1 6738329 KGQSSWVILYSYIU-MRXNPFEDSA-N 302.374 2.637 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)n1 257365722 IHEUFVGZXIYTPL-BRWVUGGUSA-N 318.465 2.536 0 50 DFAA FC(F)(F)c1cn2c(n1)CC[C@@H](CNCc1cscn1)C2 328626631 FHQFFBJMBFHUEC-VIFPVBQESA-N 316.352 2.711 0 50 DFAA CN(Cc1ccccc1)C(=O)Cn1cc(-c2ccccc2)nn1 122966474 JLCAUCCPXLAAJE-UHFFFAOYSA-N 306.369 2.604 0 50 DFAA COc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)c1 33088752 JNGAKZOBEBUZMY-UHFFFAOYSA-N 320.348 2.819 0 50 DFAA O=C(Cc1ncccc1F)N1CC[C@@H](n2cc3ccccc3n2)C1 376442485 QMODDWYPCCINGH-CQSZACIVSA-N 324.359 2.587 0 50 DFAA O=C(O)COc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 262242391 BTEOAMBWNJJPMP-JBLDHEPKSA-N 321.760 2.954 0 50 DFAA Cc1cnn([C@@H]2CCN(C(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)c1 333350261 FFLNWLDXMVBWKW-XHSDSOJGSA-N 302.422 2.584 0 50 DFAA COc1cccc([C@H](C)CC(=O)N2CCC[C@@H](C(=O)O)C2)c1 128508149 NKRRWPPOUJAMDQ-TZMCWYRMSA-N 305.374 2.512 0 50 DFAA O=C(O)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 237975328 ISVRJMDJECHFOB-MNOVXSKESA-N 315.291 2.790 0 50 DFAA COCc1cccc(NC(=O)C(=O)Nc2cccc3[nH]ccc23)c1 129792671 LTQCNIJYYYSDQJ-UHFFFAOYSA-N 323.352 2.892 0 50 DFAA Cc1cnn(C)c1S(=O)(=O)N(C)c1cccc(C(C)C)c1 284969714 CXQQYBSPHOEBIR-UHFFFAOYSA-N 307.419 2.677 0 50 DFAA Cc1cnccc1NCCNC(=O)Cc1cn(C)c2ccccc12 222392660 WJJLVJXFETXUMS-UHFFFAOYSA-N 322.412 2.653 0 50 DFAA Cc1ncsc1CCC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 82098779 GPIPKVHMJQGWHW-AWEZNQCLSA-N 320.462 2.812 0 50 DFAA COc1ccc(Cn2cc(-c3nc(N(C)C)ns3)cn2)cc1 426425190 HOICYRUOBWGUOO-UHFFFAOYSA-N 315.402 2.525 0 50 DFAA CC(C)N(C(=O)c1ccccc1-c1ccc(=O)n(C)n1)C(C)C 96131780 GYYFQHHLHSAKEW-UHFFFAOYSA-N 313.401 2.706 0 50 DFAA CC1=CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)CC1 95501805 RPBNTKWJGVODKB-GFCCVEGCSA-N 315.373 2.614 0 50 DFAA COc1cccc(CC(=O)Nc2ccc3c(c2)CCN(C)C3=O)c1 618085135 YPSJQLIXJMQREA-UHFFFAOYSA-N 324.380 2.505 0 50 DFAA COCc1cc(CNC(=O)Nc2ccccc2C2CC2)n[nH]1 96141772 LRCAXNYPUPXFBG-UHFFFAOYSA-N 300.362 2.755 0 50 DFAA COC(=O)c1[nH]c2c(c1N)C(=O)C[C@@H](c1ccc(C)s1)C2 95117815 YAFZHCFMCSPBNF-QMMMGPOBSA-N 304.371 2.666 0 50 DFAA CCn1nc(C)cc1C(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 240971702 UBJUHMFMYCDUNB-ZOWXZIJZSA-N 319.430 2.515 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2O)cc1C 244659619 HFWJNGUUBQJJBO-HYVNUMGLSA-N 305.418 2.833 0 50 DFAA O=C1C[C@@H](Cc2cccc(-n3cnnc3)c2)CN1c1ccccc1 244718859 LSGOCZNXPQLUHT-MRXNPFEDSA-N 318.380 2.863 0 50 DFAA CCc1ccc(NC(=O)CCN2CCCN3CCC[C@H]3C2)cc1 244882883 YAZQEEYBVGHLSW-SFHVURJKSA-N 315.461 2.748 0 50 DFAA O=C(NCc1nc(Cc2ccccc2)no1)c1cccn1C1CC1 584904166 FEIFWXPZNLGPRG-UHFFFAOYSA-N 322.368 2.727 0 50 DFAA Nc1cc(=O)[nH]c(SCCCOc2ccc(Cl)cc2)n1 16527114 DZCPFYBBILWAEV-UHFFFAOYSA-N 311.794 2.567 0 50 DFAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cnc(C2CC2)nc1 952978849 FTMZBVNDONSPQN-UHFFFAOYSA-N 315.377 2.523 0 50 DFAA C[C@H](NC(=O)Cc1ncc[nH]1)c1ccc(OC(F)(F)F)cc1 1467775915 IZBJCMHZCKISJG-VIFPVBQESA-N 313.279 2.728 0 50 DFAA CN=[S@@](C)(=O)c1cccc(NC(=O)c2nc(C)oc2C)c1 585087547 IMYLPRVJWDBOBG-NRFANRHFSA-N 307.375 2.630 0 50 DFAA C[C@H]1c2ccccc2C[C@H]1NC(=O)NC[C@H]1CCOC[C@@H]1C 661173472 GHJJXHVLAPSDTA-YOKBYHGQSA-N 302.418 2.687 0 50 DFAA CC1CCN(C(=O)Cn2cc(-c3cccnc3Cl)cn2)CC1 1615055858 RKPGCLKZZURZEA-UHFFFAOYSA-N 318.808 2.857 0 50 DFAA C[C@@H](CN1CCCCCC1)NCc1nc(-c2ccccc2)n[nH]1 1506427217 LEIBWMVQHAROQR-HNNXBMFYSA-N 313.449 2.826 0 50 DFAA Cc1nc(CN(CCC(N)=O)CCc2ccccc2)sc1C 1506400342 FFIDZTQULJNROL-UHFFFAOYSA-N 317.458 2.680 0 50 DFAA CCCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704327311 CDBWAMGKPLZLGW-FGTMMUONSA-N 319.445 2.644 0 50 DFAA O=C(CC[C@H]1CCCN(Cc2cccnc2)C1)N1CCCC1 11818153 JWBRIBDXQDGKJR-MRXNPFEDSA-N 301.434 2.696 0 50 DFAA CC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2F)nn1 12576655 OWVZIEPPNTXACS-AWEZNQCLSA-N 316.380 2.870 0 50 DFAA C[C@H]1CCCN([C@@]2(O)C(=O)Nc3c(C(F)(F)F)cccc32)C1 12731105 MIFHKOHVBCPEAO-XPTSAGLGSA-N 314.307 2.535 0 50 DFAA O=C1NC[C@@H](NCc2ccccc2)n2nc(-c3cccs3)cc21 169754497 VBMHSKNTKVSHEN-INIZCTEOSA-N 324.409 2.643 0 50 DFAA Cc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)[nH]n1 169755527 JASHTGLKSGWXCY-UHFFFAOYSA-N 322.372 2.565 0 50 DFAA O=C(CN1CCCCC1=O)N[C@H]1CCCC[C@@H]1c1ccccc1 500562889 PSQXKGSENHJOKY-SJORKVTESA-N 314.429 2.842 0 50 DFAA CO[C@H]1CCC[C@@H](CC(=O)Nc2ncccc2NC(C)=O)C1 331043459 FKQILLKAESDNBA-OLZOCXBDSA-N 305.378 2.574 0 50 DFAA C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)n1cncn1 252497919 IGBIXOVEAXDPAO-SUZMYJTESA-N 324.306 2.530 0 50 DFAA CC(=O)c1ccc(C(F)(F)F)nc1NC1CC(C(=O)O)C1 900964022 BTPWLRZVHKIQRB-UHFFFAOYSA-N 302.252 2.578 0 50 DFAA O=C(N[C@H](CO)C1CCC1)c1ncc(C(F)(F)F)cc1Cl 824753390 MEUGJXMRIMTCEA-SNVBAGLBSA-N 322.714 2.645 0 50 DFAA Cc1ccc(C(C)(C)CNC(=O)Nc2ccnc3ccnn23)nc1 934982552 UWOHXIHYFMRENU-UHFFFAOYSA-N 324.388 2.532 0 50 DFAA C[C@@H](Nc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCC1 1875256128 WIMUCXIASBIURP-SECBINFHSA-N 301.312 2.960 0 50 DFAA C/C(=C(/F)C(=O)NCc1nc(-c2cccc(O)c2)no1)C1CC1 1875274864 QYXYLRYTYNETBX-ZROIWOOFSA-N 317.320 2.712 0 50 DFAA C=CC(=O)N(C)c1ccc(C(=O)N2CC[C@@H](C(F)F)C2)cc1 1875387244 WYNTXIVOSKVCOX-GFCCVEGCSA-N 308.328 2.563 0 50 DFAA CC(C)c1nsc(CN2CCO[C@H](c3nccs3)C2)n1 822281160 BBFRFOAOBAWBSM-JTQLQIEISA-N 310.448 2.692 0 50 DFAA Cc1noc(C(C)C)c1NC(=O)[C@@H]1CC[C@H](C(C)C)NC1=O 2325766537 BJDMLTOYFNKQHO-VXGBXAGGSA-N 307.394 2.596 0 50 DFAA C[C@H]1NC(=O)OC12CCN(c1cc(-c3ccccc3)cnn1)CC2 2325780911 XQDWGGAPTIMEAT-CYBMUJFWSA-N 324.384 2.611 0 50 DFAA C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1C(=O)C1=C[S@@](=O)CCC1 2325793820 ISFSWUKPOJEFDK-ACMJKKBMSA-N 323.380 2.991 0 50 DFAA C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccc(F)cn1 2325810669 WYELJNYYDXUTQL-MNOVXSKESA-N 316.380 2.602 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3cncc(CN)c3)cc2)c1C 2325824914 VIHXXOYCCCPWAW-UHFFFAOYSA-N 321.384 2.595 0 50 DFAA CCN(CC)S(=O)(=O)c1c(OC)cc(C)c(Cl)c1C 384632 KDFYBFANYGXNJB-UHFFFAOYSA-N 305.827 2.996 0 50 DFAA C[C@@H](CN1c2ccccc2S(=O)(=O)c2ccccc21)N(C)C 1849517 FDXKCOBAFGSMDJ-ZDUSSCGKSA-N 316.426 2.921 0 50 DFAA in-man COc1nc2c(cc1C(=O)N1CCc3ccccc3CC1)CCC2 2356150309 WLKVNOQCZZQADG-UHFFFAOYSA-N 322.408 2.820 0 50 DFAA CCCN1C(=O)S[C@@H](CC(=O)Nc2ccc(C)cc2)C1=O 4181579 QASNAFUDTKQERE-LBPRGKRZSA-N 306.387 2.798 0 50 DFAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101023027 RYNPVMZONPCMNQ-WBRVRECLSA-N 303.745 2.660 0 50 DFAA O=C(O)/C(S)=C/c1ccc(I)cc1 100031408 DJCVSFWGKYHMKH-YVMONPNESA-N 306.124 2.647 0 50 DFAA in-vitro C[C@@H](C(=O)NCc1ccccc1)N1CCc2ccc(F)cc2C1 134108806 FZKNLSHJWNWOOL-AWEZNQCLSA-N 312.388 2.889 0 50 DFAA Cc1nc(N(C)CCN2CCCC[C@H]2C)c2nc(C)oc2n1 105983729 PMTLFRRVPBAOJN-LLVKDONJSA-N 303.410 2.545 0 50 DFAA Cc1cc(C)cc(NC(=O)CC(=O)N(C)[C@@H](C)c2ccon2)c1 55343504 COHGCCLTUHPZRQ-ZDUSSCGKSA-N 315.373 2.840 0 50 DFAA Cc1cc(C)nc(N2C[C@@H](CSc3ccccn3)OC2=O)n1 65365870 CRENEJHHMQLWCG-LBPRGKRZSA-N 316.386 2.606 0 50 DFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 229877838 OQTPKVWPPNNVIE-SQWLQELKSA-N 306.406 2.652 0 50 DFAA COc1ccccc1N1CCN(C[C@@H](O)C2CCCCC2)CC1 252536192 HVDCVRHWZCCPRZ-GOSISDBHSA-N 318.461 2.758 0 50 DFAA CCC(CC)C(=O)c1c[nH]c(C(=O)NCCCn2ccnc2)c1 4024699 TUDXETPSLGROJO-UHFFFAOYSA-N 316.405 2.650 0 50 DFAA CN(C(=O)c1cc2c(s1)CCOC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 123271535 IVZDSGWTAAOPMD-DFBGVHRSSA-N 321.442 2.706 0 50 DFAA O=S(=O)(c1cccc(F)c1F)N(CC1CC1)c1cccnc1 124642174 PCDRTKGWQJILPQ-UHFFFAOYSA-N 324.352 2.965 0 50 DFAA Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](N)C2)cs1 158352541 HXEYMPFKXGDADU-GFCCVEGCSA-N 301.415 2.682 0 50 DFAA Cc1ccccc1C1(C(=O)NCCc2cnccn2)CCCC1 368200653 DGASPLQPDWRTEM-UHFFFAOYSA-N 309.413 2.956 0 50 DFAA COCc1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 237264979 SQOHCXXWOWCERX-BPUTZDHNSA-N 317.385 2.691 0 50 DFAA Cc1ccc(-c2noc(N3CC[C@@H](c4nc(C)no4)C3)n2)cc1 333644128 CPBZDZPMOZBXMM-CYBMUJFWSA-N 311.345 2.730 0 50 DFAA N[C@@H]1C[C@@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 261943349 VAENXLXRXLUVFG-IAGOWNOFSA-N 310.397 2.735 0 50 DFAA COc1cccc(CC(=O)N(Cc2nccs2)C2CC2)c1 74795978 DXEYFAPVPYSUPK-UHFFFAOYSA-N 302.399 2.885 0 50 DFAA Cn1ccnc1-c1nccn1[C@@H](Cn1cccn1)c1ccccc1 72149288 RROUMJASVWWSRR-INIZCTEOSA-N 318.384 2.770 0 50 DFAA CCn1c(CN(C)C)nnc1C1CCN(CC2CCCC2)CC1 77377004 DFXHASRUAWYXJK-UHFFFAOYSA-N 319.497 2.729 0 50 DFAA C[C@@]1(Cc2ccccc2)CCCN1Cc1ncnn1CCF 241338541 MBNIDPWYFOEOKE-KRWDZBQOSA-N 302.397 2.845 0 50 DFAA CN1CC[C@H](NCc2ccc(C(=O)O)cc2)[C@H]1c1ccccc1 263563225 DFCKPTFUNSQGHY-ZWKOTPCHSA-N 310.397 2.920 0 50 DFAA COCCN1C[C@H](Cc2cccc(C(F)(F)F)c2)CC1=O 223209543 HQCZSVYASAVSHR-GFCCVEGCSA-N 301.308 2.743 0 50 DFAA CN(CCC[C@H]1CCCO1)C(=O)NCc1nc2ccccc2o1 426734578 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ATLFVXMBVWNDMS-LBPRGKRZSA-N 321.398 2.743 0 50 DFAA Cc1ccc2[nH]cc(CN(C)C(=O)Nc3nncs3)c2c1 23251603 NTFOZOMAFJQGCW-UHFFFAOYSA-N 301.375 2.992 0 50 DFAA CCn1cnnc1CN(C)C(=O)C1(c2ccccc2)CCCC1 20294284 VZYFJSMXFKBCSA-UHFFFAOYSA-N 312.417 2.768 0 50 DFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101362842 MPKRHHROHHFBBJ-WCVJEAGWSA-N 307.349 2.591 0 50 DFAA COc1cccc(NCc2nn(Cc3cccc(C)c3)c(=O)[nH]2)c1 65365241 XBMRGHOWGADDLS-UHFFFAOYSA-N 324.384 2.549 0 50 DFAA CC[C@H](NCC(=O)N=c1[nH]c2ccccc2[nH]1)c1cccs1 67817000 NREDNFCKDBNYSX-NSHDSACASA-N 314.414 2.726 0 50 DFAA Cn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21 22234220 QXHRGCKVXCATKK-UHFFFAOYSA-N 318.376 2.737 0 50 DFAA CC[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67908102 SHYFVSFRHCRROU-AWEZNQCLSA-N 322.311 2.539 0 50 DFAA C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccccc1 20400149 NPXRVNDJTKDZCH-RYUDHWBXSA-N 302.399 2.744 0 50 DFAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)[C@@H]1CCCO1 20166346 CFMRDEJTNHJHTR-ROUUACIJSA-N 316.445 2.899 0 50 DFAA C[C@@H]1CN(CC2CCCC2)CCN1C[C@@H](O)c1ccccc1 229376399 YRCIFVHAXMVPQE-VQIMIIECSA-N 302.462 2.916 0 50 DFAA O=C(Nc1cccc2cnccc12)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230132946 CKMRAEMRIIHEKQ-VGWHQZGPSA-N 311.385 2.763 0 50 DFAA C=CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 144420742 LMTADZXHTKYUAI-UHFFFAOYSA-N 316.382 2.920 0 50 DFAA Cc1cc(N2CCN(C(=O)OC(C)C)CC2)nc(C(C)C)n1 252494745 ODNFRVLNGMZVPC-UHFFFAOYSA-N 306.410 2.575 0 50 DFAA Cc1ccnc2[nH]c(S[C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)nc12 428189008 GVXDMPNJNUEPHZ-SDDRHHMPSA-N 316.430 2.806 0 50 DFAA O=C(NCCCNC(=O)NC1CCCCC1)NC1CCCCC1 38142566 MAABTDUFGFANLB-UHFFFAOYSA-N 324.469 2.640 0 50 DFAA CCCOc1ccc(CCC(=O)N2CC[C@@H](N)C[C@@H]2C)cc1 236795151 ARECACCOALSPEN-GOEBONIOSA-N 304.434 2.746 0 50 DFAA CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@H](N)C2)c1Cl 158313544 XWEISGSHMFDBTB-GWJCSSMESA-N 324.856 2.608 0 50 DFAA C[C@H](CNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)c(F)c1 241588006 OYWPOUFNVPJIBC-CJIMWGSBSA-N 310.344 2.687 0 50 DFAA 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FMTABEBIGFHZOE-UHFFFAOYSA-N 315.421 2.572 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)Nc2ccc3[nH]ncc3c2)C1 96165438 HBQYTEPSUNJUKO-LBPRGKRZSA-N 313.405 2.653 0 50 DFAA CNC(=O)c1ccc(C[C@H]2COc3c(cccc3OC)C2)cc1 95520425 AMUJGIWRYYHVOX-CQSZACIVSA-N 311.381 2.849 0 50 DFAA Cc1nc(N2CCc3nc(N)sc3C2)c2sccc2n1 91663288 AITLNEIJDRGXBZ-UHFFFAOYSA-N 303.416 2.601 0 50 DFAA C[C@H](C(=O)O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 237444559 LVBWMUHXHBWWDB-PRHODGIISA-N 304.173 2.840 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1Cc2ccccc2O[C@H](C)C1 293630193 FEZRQWPQUPPFIS-VXGBXAGGSA-N 313.401 2.940 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1ccc(C)c(OC)c1 97137632 VZPOOXSWCTWXQY-GFCCVEGCSA-N 317.393 2.888 0 50 DFAA C[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@]1(O)C1CCOCC1 91860501 JGUVNPGIADALAP-KDOFPFPSSA-N 309.450 2.593 0 50 DFAA C[C@H]1CN(C(=O)Nc2cccc(-c3ccn[nH]3)c2)C[C@@H](C)O1 95521775 BRBUWRIBTXGIIJ-TXEJJXNPSA-N 300.362 2.718 0 50 DFAA O=C(O)Cc1ccc(CN2CCC[C@@](CO)(CC3CC3)C2)cc1 91746037 CMFAJLJZETVQHH-LJQANCHMSA-N 317.429 2.688 0 50 DFAA Cc1ccc2[nH]c(SCCCN3CCN(C)CC3)nc2c1 181302184 GPGRUQNYGNKJMS-UHFFFAOYSA-N 304.463 2.601 0 50 DFAA CCc1nc(CN(C)CCC(=O)Nc2cc(C)cc(C)c2)no1 244828648 UABJJCFXHQWVBE-UHFFFAOYSA-N 316.405 2.709 0 50 DFAA C[C@@H](OC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 243391355 MMLRXHIMAWZNLD-LLVKDONJSA-N 312.410 2.911 0 50 DFAA Cc1c[nH]nc1CN[C@@H]1CCN(c2ccc(Cl)cc2F)C1 623756918 JJPIWTVHUKDXBS-GFCCVEGCSA-N 308.788 2.879 0 50 DFAA CC(C)SCCNC(=O)N1CC[C@H](Oc2ccccc2)C1 521430513 QXFDMBJVVQFEMB-HNNXBMFYSA-N 308.447 2.991 0 50 DFAA C[C@H](c1ccc(-c2ncc(C(=O)O)s2)cc1)N1CCOCC1 534664272 QCIJABDQBYANLJ-LLVKDONJSA-N 318.398 2.902 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)Nc2cccc3cn[nH]c23)C1 299757487 KGAWNTAPDSFNFZ-CYBMUJFWSA-N 302.378 2.986 0 50 DFAA O=C(Cn1cccc1)NC[C@H](c1ccccc1)N1CCCCC1 299773031 CAMLYTRGKVICKA-GOSISDBHSA-N 311.429 2.832 0 50 DFAA COCc1nc(CCc2scnc2C)n(CC(F)(F)F)n1 670444677 LQDWJKJNGLEYAL-UHFFFAOYSA-N 320.340 2.537 0 50 DFAA Oc1nc2ccc(CNC3CCC4(CCNCC4)CC3)cc2[nH]1 952975944 MGNCQPKPXPQUPK-UHFFFAOYSA-N 314.433 2.671 0 50 DFAA CC[C@H](C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)n1cccn1 952977364 AQDBSGAASXBYME-CQSZACIVSA-N 310.361 2.566 0 50 DFAA N[C@H]1CCCC[C@@H]1NC(=O)c1csc(-c2ccccc2)n1 185379207 XLKNAOFOXRONTP-STQMWFEESA-N 301.415 2.810 0 50 DFAA O=C(CC1CCCC1)NCC1CCN(C[C@H]2CCCOC2)CC1 952990652 WWMJJTDBKXLLSH-GOSISDBHSA-N 322.493 2.822 0 50 DFAA CNc1nc(C)cc(C(=O)N2CCCC(C)(C)c3ccccc32)n1 408410352 OOTOCIFLLLRWSL-UHFFFAOYSA-N 324.428 3.545 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N(C)C[C@H]1CCCN1C 408521793 INFZBRRHGISNOA-HUUCEWRRSA-N 304.434 2.741 0 50 DFAA CCc1ccc2occ(C(=O)N(CCOCCO)C(C)C)c2c1 408517374 DNGBRDGDQHVDKV-UHFFFAOYSA-N 319.401 2.855 0 50 DFAA COc1cccc([C@H](C)C(=O)Nc2nc(C)cc(OC)n2)c1 410660082 YETRTIFNSDKQAJ-NSHDSACASA-N 301.346 2.544 0 50 DFAA CNC(=O)c1cccc(CCNc2ncnc3ccccc23)c1 169993339 UKWBMTJVKDHUDK-UHFFFAOYSA-N 306.369 2.644 0 50 DFAA O=C(O)Cc1cccc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1 630145126 WYOXMKOESGSTIP-RYQLBKOJSA-N 307.349 2.838 0 50 DFAA COC[C@@H](Nc1ncnc2c1cnn2C)c1ccc(Cl)cc1 278266826 OKPGGQMAQJLJDA-CYBMUJFWSA-N 317.780 2.816 0 50 DFAA O=C(NCc1ccccc1-n1ccnc1)c1coc(CC2CC2)n1 170597894 UUSIPRSWQYTLKJ-UHFFFAOYSA-N 322.368 2.743 0 50 DFAA COc1cnccc1[C@H](C)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C 170603158 VIQHOWUIVQUWDC-MQYQWHSLSA-N 305.422 2.529 0 50 DFAA CC(C)c1nnc([C@H]2CN(C(=O)Nc3ccsc3)CCO2)o1 275714285 GUSVMOZKXITIRT-LLVKDONJSA-N 322.390 2.860 0 50 DFAA Cc1nc(CCCC(=O)Nc2ccc(O)c(C(=O)O)c2)cs1 633138749 WHWBXHXWQNJSGH-UHFFFAOYSA-N 320.370 2.817 0 50 DFAA COc1ccc(OS(=O)(=O)C[C@@H]2CCC(F)(F)C2)cc1 585084133 CKJQKUMQISHNJV-SNVBAGLBSA-N 306.330 2.839 0 50 DFAA CC(C)[C@H](C)NC(=O)c1nscc1I 585135492 NBACDSIFUCYVMN-LURJTMIESA-N 324.187 2.522 0 50 DFAA CC(C)c1nccn1CC(=O)NC[C@@H](C)Oc1cccc(F)c1 585132313 TXPJLEISLBIHGX-CYBMUJFWSA-N 319.380 2.729 0 50 DFAA CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccccc1C(N)=O 191007683 YPEQUBJBUZAHRJ-KRWDZBQOSA-N 322.408 2.692 0 50 DFAA O=C(O)[C@H]1C[C@@H]1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 191632067 MKUOQDCOKYCRKT-GJZGRUSLSA-N 321.336 2.685 0 50 DFAA Cc1nnc(CC(=O)N2CCN(C(C)(C)C)c3ccccc32)o1 192095202 RWUVWIMFCUMQJZ-UHFFFAOYSA-N 314.389 2.572 0 50 DFAA CN(C(=O)c1scnc1C1CCCC1)C1(C(N)=O)CCCC1 195576469 OURDNLBQRFKBOO-UHFFFAOYSA-N 321.446 2.671 0 50 DFAA C[C@H](NCCC1OCCO1)c1nc(-c2ccc(Cl)cc2)no1 195565998 NQANTYIYXFTPKV-JTQLQIEISA-N 323.780 2.804 0 50 DFAA Cc1cnc([C@H](NC(=O)N(C)CC2=CCCOC2)C2CC2)s1 664221798 HJTSUPPDFZYKBL-CQSZACIVSA-N 321.446 2.891 0 50 DFAA Cc1csc(CN2CCCN(c3ccncc3C)CC2)n1 1529177736 FIMJPJYHIUBSAE-UHFFFAOYSA-N 302.447 2.867 0 50 DFAA CCOC(=O)c1c(OCC)ccn(-c2ccc(F)cc2)c1=O 146184068 ALNPUAXQKPJOHV-UHFFFAOYSA-N 305.305 2.552 0 50 DFAA Cc1ccc(N2C[C@H](Nc3nc(C)ncc3Cl)CC2=O)cc1 1772708757 JORNVRVXFPVHGX-GFCCVEGCSA-N 316.792 2.964 0 50 DFAA COc1ccc(CN2C[C@H]3C[C@@H](O)[C@H]3C2)c2c(OC)cccc12 1772702877 XZAYANKYPSWYPC-VNQPRFMTSA-N 313.397 2.670 0 50 DFAA OC[C@H]1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1 12298288 IDURMONQMFKYQB-LBPRGKRZSA-N 321.808 2.518 0 50 DFAA CCn1cc(C(=O)Nc2cccc(CC(=O)O)c2)c(C2CC2)n1 630144848 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Cc1cc(C[C@H]2CCC[C@H]2NCc2scnc2C)n(C)n1 850397913 KCWQLEWAXNSXNQ-UKRRQHHQSA-N 304.463 2.994 0 50 DFAA c1ccc2nc(NCc3nnc([C@@H]4CCCOC4)o3)cnc2c1 886079132 MMQMWDHIDHYCCG-LLVKDONJSA-N 311.345 2.519 0 50 DFAA Cc1nnc(CN(C)C(=O)Nc2cccc3c2COCC3)s1 888102400 VHGGGFSHQRPWKV-UHFFFAOYSA-N 318.402 2.583 0 50 DFAA O=C(CSc1nc2ccccc2s1)Nc1ncccn1 34980 YALAFJCQBRIWRE-UHFFFAOYSA-N 302.384 2.817 0 50 DFAA N[C@@H]1Cc2cc(-c3cccc(-c4ccncc4)c3)cnc2NC1=O 2325856980 LACOTMVOVDKVAC-QGZVFWFLSA-N 316.364 2.633 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2)n1 83662 KSQSSJGVALRBIK-UHFFFAOYSA-N 304.371 2.809 0 50 DFAA COc1ccc(OC)c(NC(=O)Cc2ccccc2OC)c1 121823 OQPRIKIMELLDFU-UHFFFAOYSA-N 301.342 2.894 0 50 DFAA COc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187757 PVTSPWQHECKMLA-DLBZAZTESA-N 322.364 2.865 0 50 DFAA biogenic O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccncc1 611112 DFNXVWCXNOEUPR-LBPRGKRZSA-N 300.745 2.857 0 50 DFAA CCCCNC(=S)NC(=O)c1ccccc1Br 1794164 XKGXJYULYOXNIA-UHFFFAOYSA-N 315.236 2.854 0 50 DFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1sccc1C 2480752 OZMRLACVWBNMCP-UHFFFAOYSA-N 321.398 2.637 0 50 DFAA CCOc1cc(C=O)cc(Br)c1OC(=O)CC 2873613 QUKLZJBTRFIFJB-UHFFFAOYSA-N 301.136 2.976 0 50 DFAA CCN1Cc2nnc(-c3ccc(O)cc3)n2[C@@H](CC(C)C)C1=O 2356155911 NLTWBKVGOWQBQT-AWEZNQCLSA-N 314.389 2.600 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl 4185154 IGSVIAOPKPIFKU-LLVKDONJSA-N 315.156 2.794 0 50 DFAA CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(C(N)=O)cc1 6702397 IKBGCAKVRWVBLK-MRXNPFEDSA-N 312.369 2.890 0 50 DFAA CC[C@H](NC(=O)C1CCN(C(C)=O)CC1)c1ccc(C)cc1 6741230 DVZKZQCCKWBDSA-KRWDZBQOSA-N 302.418 2.821 0 50 DFAA Cc1cnccc1CC(=O)N[C@H]1CCOc2ccc(F)cc21 225447432 AMVHGJAJVBKDNY-HNNXBMFYSA-N 300.333 2.712 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)C2C=CC=CC=C2)c1 225490449 RQWUUCOSPWAVRN-AEFFLSMTSA-N 311.381 2.628 0 50 DFAA COC1([C@@H](C)NCc2ccc(Cn3cncn3)cc2)CCCC1 421820221 LJYXNMVWUHTOCX-OAHLLOKOSA-N 314.433 2.764 0 50 DFAA COCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 22064365 GXLDVUUHPNMKGP-UHFFFAOYSA-N 324.424 2.621 0 50 DFAA Cn1ccc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc21 170625475 FCSKIEZLPKEYIE-INIZCTEOSA-N 322.364 2.604 0 50 DFAA biogenic c1ccc(OC2CC2)c(CN2CCN(Cc3ccncc3)CC2)c1 347770809 YLQHYNDWWJJYSN-UHFFFAOYSA-N 323.440 2.941 0 50 DFAA CC[C@@H](C)NC(=O)CN1CCC[C@H]1Cc1ccccc1OC 250216497 VCDRZDQBGHASIH-ZBFHGGJFSA-N 304.434 2.617 0 50 DFAA COc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F 20397958 MFCSKJYSDGHBBN-LLVKDONJSA-N 316.332 2.591 0 50 DFAA CCc1noc([C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 229133800 DLDQGZJTUVYGTP-SMDDNHRTSA-N 305.353 2.906 0 50 DFAA C[C@@H](C(=O)O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 67847031 DLGDBIOXGUERQM-VIFPVBQESA-N 306.749 2.826 0 50 DFAA Cc1ccc(Cl)cc1N1CCN(CCc2cn[nH]c2)CC1 219544983 TURQJQHOOWQWIB-UHFFFAOYSA-N 304.825 2.736 0 50 DFAA Cc1cc2c(N[C@H]3CCO[C@@H]3c3nccn3C)ncnc2s1 328644923 ZNKAJUHBEKJQFX-RYUDHWBXSA-N 315.402 2.675 0 50 DFAA COC1(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCCC1 329408741 DGTLJBDJBXEDEO-AWEZNQCLSA-N 304.438 2.821 0 50 DFAA C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ncc[nH]1 72423935 YZJAXFQDOJTXNS-GFCCVEGCSA-N 301.390 2.604 0 50 DFAA O=c1c2cccnc2ncn1Cc1scnc1-c1ccccc1 32565413 IGZMRUKIVSGZKN-UHFFFAOYSA-N 320.377 2.963 0 50 DFAA COC(=O)N1CCC(OC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 151849088 REBNVQJWHOFCPR-UONOGXRCSA-N 309.406 2.999 0 50 DFAA CC(C)COc1cncc(N2CC[C@]3(O)CCCC[C@H]3C2)n1 241371296 MMGXWGNQCGQBLE-WMLDXEAASA-N 305.422 2.643 0 50 DFAA O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc2n(n1)CCCC2 333530330 IUPKYFQDURZWJV-AWEZNQCLSA-N 315.348 2.612 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 237522901 CZPQHUZTBNZELW-ZFWWWQNUSA-N 311.385 2.826 0 50 DFAA Cc1cc(C(=O)NCCc2cn[nH]c2)c2ccc(C)c(C)c2n1 77380010 RNYFRYZUFDALNI-UHFFFAOYSA-N 308.385 2.856 0 50 DFAA COC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)OCC(C)C 44124364 KUQWPVGGEFDPDX-LBPRGKRZSA-N 311.353 2.982 0 50 DFAA Cn1cc(-c2ncccc2C(=O)NC2CC(C(F)(F)F)C2)cn1 614885687 XDWCJJNSBOYOBO-UHFFFAOYSA-N 324.306 2.553 0 50 DFAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)O)cc2)C1(C)C 236980086 MIIDGSVYRCBXCH-KBPBESRZSA-N 305.374 2.660 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)C2CCNCC2)C12CCCCC2 162030170 VBYSWRIWCNMQFW-JKSUJKDBSA-N 308.466 2.572 0 50 DFAA O=C(Nc1cccc(Cl)c1F)N1CCC(n2cnnc2)CC1 97272481 DMLRMLSGFZMRSQ-UHFFFAOYSA-N 323.759 2.940 0 50 DFAA c1ccc([C@@H]2CN(c3nccc(-c4ccccn4)n3)CCN2)cc1 97657229 PLXQIBMKHQZGKK-SFHVURJKSA-N 317.396 2.690 0 50 DFAA Cc1n[nH]c([C@H]2CCCN2C(=O)c2csc(C(C)C)n2)n1 244887876 YQACXFRCWSXROB-LLVKDONJSA-N 305.407 2.670 0 50 DFAA CCc1nnc(CN(C)Cc2cncn2Cc2ccccc2)o1 244734393 NESWSLKXNYPSRO-UHFFFAOYSA-N 311.389 2.509 0 50 DFAA Nc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccn1 298563934 PSHYJGPFPDUQSV-KURKYZTESA-N 309.413 2.668 0 50 DFAA C[C@@H](NC(=O)N1CCCC1)c1cnn(-c2ccc(F)cc2)c1 534661141 HWIVHSQJZQVRLU-GFCCVEGCSA-N 302.353 2.878 0 50 DFAA OCc1cccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c1 828827557 BBWBHDVDFATJOE-QGZVFWFLSA-N 300.377 2.687 0 50 DFAA CCn1ccc(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)n1 952969948 DIIKXJVLXHRAMC-LBPRGKRZSA-N 312.373 2.671 0 50 DFAA N[C@H](N=O)c1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 957950721 UXKPHAQMWCBYAM-ZIAGYGMSSA-N 310.317 2.677 0 50 DFAA Cc1ccc2[nH]c(CN(C)C[C@H](C)N3CCOCC3)c(C)c2c1 952972393 GSFLEODSWFQZRI-HNNXBMFYSA-N 315.461 2.937 0 50 DFAA Cc1cc(CN(C)C(=O)c2cccc([C@@H]3CCOC3)c2)no1 270498876 MBMYCEISVZHQMN-OAHLLOKOSA-N 300.358 2.759 0 50 DFAA Cc1cc(C)c(C(=O)NC[C@@H](C(=O)O)c2ccccc2)s1 630139464 DSWDBEXYTRLXMT-CYBMUJFWSA-N 303.383 2.963 0 50 DFAA O=C1CN2C(=Nc3ccccc3[C@@H]2c2ccc(Cl)cc2)CN1 170619433 GWCYAKBHSZFQNY-KRWDZBQOSA-N 311.772 2.905 0 50 DFAA CS(=O)(=O)N1N=C(c2ccsc2)C[C@H]1c1ccsc1 170618105 NHQCSOSDDRNPCI-LBPRGKRZSA-N 312.441 2.920 0 50 DFAA COC1CC(CCNC(=O)N2CC(Cc3cccs3)C2)C1 637260406 MCZUTVSKBHTMJX-UHFFFAOYSA-N 308.447 2.747 0 50 DFAA O=C1[C@H](NCc2ccsc2)CCN1Cc1ccc(F)cc1 191768509 YROPQAKZUMYGST-OAHLLOKOSA-N 304.390 2.778 0 50 DFAA CN(C)c1cccc(C(=O)NC[C@@](C)(O)C2CCCCC2)c1 191779073 QDJLNAOPXMRYNL-GOSISDBHSA-N 304.434 2.814 0 50 DFAA CC(C)[C@](C)(CC(=O)O)NC(=O)c1cccc2c1ccn2C 648341504 LSLJUQFLBWOXAI-KRWDZBQOSA-N 302.374 2.798 0 50 DFAA O=C1[C@@H](N[C@@H]2CCCn3nccc32)CCCN1C1CCCCC1 657986351 VYUSLWXQZYDLTL-CVEARBPZSA-N 316.449 2.631 0 50 DFAA Cc1c(C(=O)N[C@@H](C)CCCC(C)(C)O)nc2ccccn12 1149274142 DSXKUAYOCVNKQF-LBPRGKRZSA-N 303.406 2.702 0 50 DFAA CCn1c(O)nc2cc(C(=O)Nc3cnn(C(C)C)c3)ccc21 668018692 VPAYWFGPQRWOQU-UHFFFAOYSA-N 313.361 2.792 0 50 DFAA O=C(C1CCCCCC1)N1CCCN(C[C@H]2CCCOC2)CC1 980821800 ARFCVZMGIXWKPO-QGZVFWFLSA-N 322.493 2.918 0 50 DFAA COc1ccc(F)c(CN[C@H]2CCOc3ccc(F)cc32)n1 1616029381 CRXOHNVURJNOAD-ZDUSSCGKSA-N 306.312 2.982 0 50 DFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)Cn1cccc1 1529168774 LDFZCCCMHHOOKE-UHFFFAOYSA-N 324.384 2.844 0 50 DFAA Cc1cccn2ncc(C(=O)N(C)CCC[C@@H]3CCCO3)c12 1772707240 ZVXWKDGNGILSII-CQSZACIVSA-N 301.390 2.674 0 50 DFAA COc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3ccccn3)C2)c1 11699911 RQZBVQXHGPZKBH-OAHLLOKOSA-N 324.380 2.825 0 50 DFAA O=C(COc1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 12585468 UZYLVZYNVUXUOB-SFHVURJKSA-N 311.381 2.536 0 50 DFAA c1ccc2c(c1)Cc1cc(CN3CCc4nncn4CC3)ccc1-2 14880211 BJBSFVNLAKIVKT-UHFFFAOYSA-N 316.408 2.908 0 50 DFAA Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2C)cc1 15975954 BIPGSSZLPRESGP-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA CCCNC(=O)c1cc2c(s1)CCOC21CCN(CC)CC1 1857681233 DMLNOTOQKKRXLN-UHFFFAOYSA-N 322.474 2.772 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CCC1CCOCC1 237271937 RYJGFXQKXQZYTQ-UHFFFAOYSA-N 305.374 2.550 0 50 DFAA C[C@H]1CCC[C@@H](CC(=O)N(CCC(=O)O)C2CCOCC2)C1 237516801 LBJZNZKEHWTCTP-UONOGXRCSA-N 311.422 2.685 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 132392698 CEDVAXOUBFPERN-JKSUJKDBSA-N 318.417 2.507 0 50 DFAA in-vitro c1ccc(-c2nnn(Cc3noc(C4CCCCC4)n3)n2)cc1 158977745 CVIVUBITTFDRNN-UHFFFAOYSA-N 310.361 2.819 0 50 DFAA Cc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3Cl)C2)on1 377107540 YQWDFVVFGCJGOB-AWEZNQCLSA-N 319.792 2.765 0 50 DFAA COc1cc(CO)ccc1C(=O)NCCOC1CCCCCC1 585129557 NOQKBFVPPPUQAN-UHFFFAOYSA-N 321.417 2.657 0 50 DFAA C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@@H](C)N1CCCC1=O 585131963 KQZWYVCIHQFYJK-PJIJBLCYSA-N 314.429 2.827 0 50 DFAA CC(C)CCn1ncc(NC(=O)N2CC[C@@H](CO)C2)c1C(C)C 390833126 CLRDFXQJTDJUIX-CQSZACIVSA-N 322.453 2.899 0 50 DFAA COCCN(C)C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 952878081 YPCMSDVDZRDDTA-CQSZACIVSA-N 316.323 2.678 0 50 DFAA Cn1nc(C2CCC2)cc1NC(=O)c1ncnc2ccsc12 1875267840 YMXXZPWGGJARAU-UHFFFAOYSA-N 313.386 2.945 0 50 DFAA CN(C)C(=O)C1(NCc2ccc3c(c2)CCCC3)CC(F)(F)C1 1875286247 OLXWFWQXJYGGDT-UHFFFAOYSA-N 322.399 2.911 0 50 DFAA Cc1cc(=N[C@@H]2CCC[C@@H](O)C2)[nH]c(N(C)c2ccccc2)n1 1875358720 HMCWSPQCKCLVAC-GDBMZVCRSA-N 312.417 2.690 0 50 DFAA CC(=O)N1CCC[C@H](c2nnc(/C=C/c3ccccn3)o2)[C@@H]1C 886084573 KWSRXIAGXHNQLK-ITVHKWEYSA-N 312.373 2.749 0 50 DFAA Cc1c(C(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)nnn1C 887581063 MTAJRSMQEHJFMY-OAHLLOKOSA-N 312.417 2.779 0 50 DFAA CC1=Nc2ccccc2C12CCN(C(=O)NCc1cc[nH]n1)CC2 892062485 DBEAHASSYBJPIS-UHFFFAOYSA-N 323.400 2.759 0 50 DFAA O=C(Cc1cc(C2CC2)no1)N1C[C@H]2C[C@@]2(C(F)(F)F)C1 1776007336 XUHZDJKCRPAPFW-NOZJJQNGSA-N 300.280 2.505 0 50 DFAA CCn1c(SCC(=O)O)nnc1-c1c[nH]c2ccccc12 2881098 DGEJWPQKLSCVKQ-UHFFFAOYSA-N 302.359 2.623 0 50 DFAA C[C@H]1CN(C2CC2)CCN1Cc1cc(F)ccc1-n1cccn1 2100557461 TZVIMLSSRJLASC-AWEZNQCLSA-N 314.408 2.680 0 50 DFAA O=C([C@@H]1CCCc2n[nH]cc21)N1CCC(Cl)=C(Cl)C1 2325749076 AVPQURFNALUPKJ-MRVPVSSYSA-N 300.189 2.751 0 50 DFAA CN(Cc1cc2ccccc2o1)C(=O)C[C@H](N)c1nccs1 2325768372 MLUADOZKMRMCRJ-ZDUSSCGKSA-N 315.398 2.938 0 50 DFAA Cn1cnc(CN[C@@H]2CCCc3c2cnn3-c2ccccc2)c1 2325820679 DRNARKQJVNRTPR-QGZVFWFLSA-N 307.401 2.773 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccnc(CN)c3)cc2)c1C 2325824632 KESPXEIJZHLIGV-UHFFFAOYSA-N 321.384 2.595 0 50 DFAA C[C@@H](NC(=O)c1ccn2ccnc2n1)c1nc2ccccc2s1 2325876402 UKJZXMOMZJMLMV-SNVBAGLBSA-N 323.381 2.830 0 50 DFAA O=C(CSc1nnc(-c2ccncc2)o1)NC1CCCCC1 459928 LVBPLGPHYMGUOA-UHFFFAOYSA-N 318.402 2.673 0 50 DFAA CCOCCn1nc(C)nc1-c1cnc(-c2ccccc2)n1C 2356157492 NIGYFIKMGWJTIK-UHFFFAOYSA-N 311.389 2.691 0 50 DFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1 3905797 NCKJPDLWDVILNU-CQSZACIVSA-N 320.414 2.529 0 50 DFAA O=C(N[C@H](CO)c1ccccc1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 245552037 QBNQOMCVOUOEIV-GRDNDAEWSA-N 317.335 2.918 0 50 DFAA O=C(C[C@H]1C(=O)OCCN1C1CCCCC1)Nc1ccccc1 54253746 OFAPJSYLMOTHNC-INIZCTEOSA-N 316.401 2.575 0 50 DFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1cccc(Cl)c1 100590421 OLXZZHLNFZGPRY-VIRABCJISA-N 319.788 2.522 0 50 DFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@H]1COc2ccccc2O1 247893599 ZCLNEJFFXGCHFK-XQLPTFJDSA-N 301.386 2.769 0 50 DFAA CO[C@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2C1 348663991 NIHROUZOPANEOB-XJKSGUPXSA-N 310.353 2.786 0 50 DFAA COc1ccccc1OCc1cc(C(=O)N(C)C(C)C)no1 67833944 FLBWOYJWJDIJSA-UHFFFAOYSA-N 304.346 2.743 0 50 DFAA COCCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708099 GGTPYCCNOZTULO-ZDUSSCGKSA-N 318.200 2.930 0 50 DFAA O=C(O)c1cccnc1N1Cc2cnc(-c3ccccc3)nc2C1 67678745 ZSEVBOSMSOHTKH-UHFFFAOYSA-N 318.336 2.757 0 50 DFAA Cc1cccc2[nH]c(CCN(C)C(=O)c3cc(C4CC4)n[nH]3)nc12 67834345 CPXAACIQLANPLL-UHFFFAOYSA-N 323.400 2.787 0 50 DFAA O=S(=O)(NCCc1cccc2ccccc12)N1CCCCC1 30430443 NLLONFGGVCAGLD-UHFFFAOYSA-N 318.442 2.703 0 50 DFAA CC(C)c1nc(NCCCc2ccncc2)c2cnn(C)c2n1 72141835 YBJODVHPXGQEHH-UHFFFAOYSA-N 310.405 2.926 0 50 DFAA C[C@H](Cn1cc(Br)cn1)NCCC(F)(F)F 122758181 QNHDOFCOJDPGGR-SSDOTTSWSA-N 300.122 2.576 0 50 DFAA CC1CCC(=CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 253395792 HGAQWTZEZMIORD-SDAGNLPFSA-N 307.434 2.511 0 50 DFAA Cn1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)n1 253432114 VXXVFJMQUPREPU-CYBMUJFWSA-N 324.350 2.807 0 50 DFAA COc1ccc(O)c(NC(=O)Cc2sc(S)nc2C)c1 153905314 GKBQHJDNBHDLTL-UHFFFAOYSA-N 310.400 2.636 0 50 DFAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCC2(CCCO2)CC1 71763614 LEHVALUARUCYCR-CYBMUJFWSA-N 320.458 2.958 0 50 DFAA O=C(NCCN1CCCOCC1)N[C@@H]1CCCCC12CCCC2 366059544 KJLYOZQTNZODCT-MRXNPFEDSA-N 323.481 2.511 0 50 DFAA CC(C)(NC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCC1 454238137 LWHZKDCTFLCHLI-UHFFFAOYSA-N 310.419 2.790 0 50 DFAA CC(C)(C)n1ncn(Cc2ncc(-c3ccccc3F)o2)c1=O 155892240 MMFFFZACVHRAJP-UHFFFAOYSA-N 316.336 2.642 0 50 DFAA O=C(Nc1ncc(C2CCOCC2)s1)N[C@H]1C[C@@H]2C[C@@H]2C1 333327520 CBYWBVODHRSGFV-ZSBIGDGJSA-N 307.419 2.957 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCO[C@H](C2CCC2)C1 333990321 JOKNEGGEOISGON-NHYWBVRUSA-N 305.422 2.548 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc3ccccc3o2)C1 379165669 ZIKIYZZHPUHARI-GXFFZTMASA-N 312.291 2.927 0 50 DFAA CCO[C@H]1C[C@]2(NC(=O)N(c3cscc3C)C2=O)C1(C)C 286014097 MOHFTCUEHXGEOF-XHDPSFHLSA-N 308.403 2.687 0 50 DFAA C[C@@H]1CN(S(=O)(=O)c2cccnc2C(F)(F)F)C(C)(C)C1 288340837 XRRNHEKLSHZBJZ-VIFPVBQESA-N 322.352 2.910 0 50 DFAA CC1(C)CCN(S(=O)(=O)Cc2ccon2)c2ccccc21 288402272 MSXGOLCSQKULHV-UHFFFAOYSA-N 306.387 2.692 0 50 DFAA Nc1nc(NCCCCc2ccccc2)cc(C2CC(N)C2)n1 223044184 SEOKLONHINDRQS-UHFFFAOYSA-N 311.433 2.698 0 50 DFAA CCN1CCC[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 426494029 KPBXOJSHXONGKP-SFHVURJKSA-N 315.461 2.595 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)C(=O)C2CCNCC2)C12CCCCC2 162030426 VBYSWRIWCNMQFW-HZPDHXFCSA-N 308.466 2.572 0 50 DFAA 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322.836 2.999 0 50 DFAA CCOCC(=O)Nc1nc2ccccc2n1CCc1ccccn1 267370738 XRDIGZPHEQBQDM-UHFFFAOYSA-N 324.384 2.649 0 50 DFAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 1704324827 FKOGNFYYPNHQAU-INIZCTEOSA-N 323.820 2.876 0 50 DFAA CCc1cc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)no1 906234073 OKSYFHCFYTXXQN-QMMMGPOBSA-N 308.284 2.943 0 50 DFAA OC1CC(CNc2nc(-c3ccccn3)nc3sccc23)C1 858803098 UZLXUEPXKKPNFG-UHFFFAOYSA-N 312.398 2.936 0 50 DFAA COC(=O)CC[C@H]1CCN(c2ccnc(-c3ccccc3)n2)C1 1875299906 ZVKXHFGKBWRXEM-AWEZNQCLSA-N 311.385 2.923 0 50 DFAA CCn1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cn1 1306935505 OTWYMJPVSSLHOF-UHFFFAOYSA-N 323.335 2.890 0 50 DFAA Cc1conc1C(=O)N1CCC(F)(Cc2ccccn2)CC1 1775990958 GQWUSSLWPQJDDY-UHFFFAOYSA-N 303.337 2.565 0 50 DFAA COc1ccc(-c2cn(Cc3cccnc3N)nn2)cc1Cl 2325860475 JFJVWRRGWJKJRZ-UHFFFAOYSA-N 315.764 2.633 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1Cl 203908 MUQGXYPVZDQBRQ-LLVKDONJSA-N 315.156 2.794 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 203926 YHGBEXBOTMKLNV-LKFCYVNXSA-N 306.337 2.795 0 50 DFAA COc1ccc(NC(=O)[C@@H](C)n2cnc3ccccc3c2=O)cc1 306897 QWXLIOXJSYENRI-GFCCVEGCSA-N 323.352 2.605 0 50 DFAA COc1ccc2cc(S(=O)(=O)NCc3ccco3)ccc2c1 367732 ZDEQQBGYLHCXQI-UHFFFAOYSA-N 317.366 2.920 0 50 DFAA COC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 390218 RZILZFXOFUKDCM-UHFFFAOYSA-N 312.373 2.999 0 50 DFAA O=C(Oc1ccc(Cl)cc1N1C(=O)CCC1=O)c1ccco1 521927 SMNNXQHUQDZNHL-UHFFFAOYSA-N 319.700 2.806 0 50 DFAA O=C(NCc1ccccn1)C(=O)Nc1cccc(Cl)c1Cl 2357632 TXNDOSTYDCZIGA-UHFFFAOYSA-N 324.167 2.643 0 50 DFAA Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 2684120 DWWWGKOMZKSOKG-UHFFFAOYSA-N 310.382 2.852 0 50 DFAA CCOc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1 2812042 YSDYKSYKJZPAJR-UHFFFAOYSA-N 312.369 2.649 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3ccc(F)cc3F)C[C@H]21 2356167785 BRRWXOTZTPVKKW-JOQOYGCGSA-N 323.383 2.907 0 50 DFAA CC(=O)NCCc1nc2ccccc2n1CCOc1ccccc1 4385676 UDKDAHHFVFOFHJ-UHFFFAOYSA-N 323.396 2.794 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)Nc2cccc(C)n2)c1 8714948 HYOPCNUCWISGKV-UHFFFAOYSA-N 306.387 2.762 0 50 DFAA Cc1cccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1C 59759647 OTQZFFVCCXSKFQ-UHFFFAOYSA-N 303.406 2.636 0 50 DFAA CCn1nc(C)c(CN(CCOC)Cc2nccs2)c1C 55404914 HLEYHMHPMHUJSC-UHFFFAOYSA-N 308.451 2.625 0 50 DFAA CO[C@@H](CC(C)C)CN1CCC(N(C)c2ccc(C)nn2)CC1 419205269 JPQAXYUVWAKKLI-KRWDZBQOSA-N 320.481 2.747 0 50 DFAA CCCc1cn(C2CCN(C[C@H]3CCCN(CC)C3)CC2)nn1 55168564 XJCQMNHVHYPWTK-INIZCTEOSA-N 319.497 2.599 0 50 DFAA O=S(=O)(Nc1ccccn1)c1ccc(OC(F)(F)F)cc1 10342322 SBSIMUSEKHNNLY-UHFFFAOYSA-N 318.276 2.781 0 50 DFAA Cn1cc(CN(Cc2cccc(-n3cccn3)c2)C2CC2)cn1 65526970 GVBJGMIFCOCJFL-UHFFFAOYSA-N 307.401 2.770 0 50 DFAA C[C@@H]1C[C@@H](c2nc(-c3ccc(Cn4cccn4)cc3)no2)CO1 349944024 SLLSQPNBVAEPRI-IUODEOHRSA-N 310.357 2.874 0 50 DFAA CCO[C@@H]1C[C@@H](N[C@H]2CCN(C(=O)C3CCCC3)C2)C1(C)C 252486914 OEYGDAJVOAEBJB-ARFHVFGLSA-N 308.466 2.571 0 50 DFAA O=C(c1cccc(F)c1F)N1CCCC2(CCNCC2)CC1 67672943 YDRCQYSSHIARLH-UHFFFAOYSA-N 308.372 2.961 0 50 DFAA Cc1n[nH]cc1C(=O)Nc1ccc(OCc2ccncc2)cc1 354940954 FWJHPGZHRLSQAY-UHFFFAOYSA-N 308.341 2.944 0 50 DFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 229431887 SUOCHBDXGDMDIT-YESZJQIVSA-N 311.381 2.649 0 50 DFAA CC1(C)CCc2ccccc2[C@H](NC(=O)CCS(C)(=O)=O)C1 253428314 CTZGNSWGAGGTCI-OAHLLOKOSA-N 323.458 2.641 0 50 DFAA Cc1c(C(=O)Nc2ccc3[nH]nnc3c2)c(=O)oc2ccccc12 153465520 AUQJVZMJXPJCTN-UHFFFAOYSA-N 320.308 2.625 0 50 DFAA C[C@H](C(=O)NCCOc1ccccc1)n1cnc2ccccc21 30647392 IKQDJKOCRLXDMB-CQSZACIVSA-N 309.369 2.793 0 50 DFAA CCCc1cc(C(=O)N[C@@H](C)c2cn3ccsc3n2)no1 77515712 JRDYFUZSZRPGHV-VIFPVBQESA-N 304.375 2.827 0 50 DFAA CCOc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c1 236911584 JLNKOZMPPUDMFB-CQSZACIVSA-N 305.374 2.945 0 50 DFAA CC[C@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)C[C@@H](CC)O1 333892687 XMVYNXPFYRMJJK-OKILXGFUSA-N 303.406 2.992 0 50 DFAA Cc1ccc(NC(=S)N2CCC3(CC2)OCCO3)c(C)c1 13784712 IQJNEGZPFNVCII-UHFFFAOYSA-N 306.431 2.839 0 50 DFAA COc1ccc([C@H](O)[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 71770108 JAYDRSVWHXKNAT-SQNIBIBYSA-N 305.418 2.620 0 50 DFAA CCC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 40456129 HXJJRICOTWYBIL-UHFFFAOYSA-N 308.809 2.605 0 50 DFAA CC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1nccs1 242183882 XCSAQJBKMXLIBY-YVECIDJPSA-N 321.446 2.851 0 50 DFAA O=C(Nc1cc(Br)ccn1)NC1CC(F)(F)C1 285322579 UTQSKACXBLNWBJ-UHFFFAOYSA-N 306.110 2.763 0 50 DFAA COc1ccccc1[C@@H]1CC(=O)Nc2c1ncn2-c1cccnc1 40283552 BIPXQAWFTQPUPQ-AWEZNQCLSA-N 320.352 2.750 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](CCCO)C1 457120931 RAZROLFQIIRIRF-HUUCEWRRSA-N 305.418 2.810 0 50 DFAA CC1(C)CCC[C@@H]1NC(=O)c1ccc(=O)n(-c2ccccc2)n1 174945077 RIWZMVNBLAOKOA-HNNXBMFYSA-N 311.385 2.541 0 50 DFAA Cc1noc([C@H]2CCCCN2C(=O)c2cc(F)ccc2O)n1 286419778 MYDQKQVFDNIVIB-GFCCVEGCSA-N 305.309 2.590 0 50 DFAA Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1C(F)F 426490460 IATFMPKWPFMNRV-LRDDRELGSA-N 312.360 2.959 0 50 DFAA Cc1c(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)ccn1C 426403868 ZGFHGUGCDVJDJS-UHFFFAOYSA-N 300.406 2.598 0 50 DFAA CC[C@@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 426382945 ADZDBOHSTLPLTH-QGZVFWFLSA-N 323.400 2.702 0 50 DFAA Cc1cc(C[C@@H](C)n2cc(-c3cc(CC(C)C)[nH]n3)nn2)[nH]n1 91493723 KNNWXXJSKAJRTH-GFCCVEGCSA-N 313.409 2.702 0 50 DFAA CC[C@]1(C(=O)O)CCCN(C(=O)CCc2ccccc2OC)C1 91444629 JSBZRJWKEHLQQD-SFHVURJKSA-N 319.401 2.731 0 50 DFAA O=C(Nc1cc(C(F)(F)F)ccn1)[C@H]1CCCc2[nH]ncc21 180579915 QQOSLTXTLPACOC-VIFPVBQESA-N 310.279 2.882 0 50 DFAA Cc1cc(C)c2[nH]c(C(=O)NC[C@H](O)c3ccccn3)c(C)c2c1 91594581 LLXYKONXBLETOF-INIZCTEOSA-N 323.396 2.952 0 50 DFAA O=C(CCc1ccccn1)N1CC[C@H](Cc2cccc(CO)c2)C1 91664622 YUUOXTZWOKGLSN-QGZVFWFLSA-N 324.424 2.598 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)c2cc(C(C)C)nn2CC)C1 91725176 PIXOMRWGGOXWPP-CQSZACIVSA-N 307.438 2.915 0 50 DFAA O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCCNC1=O 243914711 BJVGKEHUYBMJDJ-GOSISDBHSA-N 322.408 2.603 0 50 DFAA CCN(Cc1cc(C2CC2)on1)C[C@H](O)c1cccc(O)c1 244874888 XIYOMFVPTXXJLN-INIZCTEOSA-N 302.374 2.813 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)NC[C@H]1CC[C@H](CO)CC1 252550149 SARSDBSJIKKREZ-HAQNSBGRSA-N 311.809 2.503 0 50 DFAA CC(=O)N1CCCC[C@H]1C(=O)NC1(Cc2ccccc2C)CC1 534640922 OQNKDGFGHMYHQC-KRWDZBQOSA-N 314.429 2.587 0 50 DFAA O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1CCCNCC1 534641396 CEXAABURLCNJNF-ZDUSSCGKSA-N 314.351 2.754 0 50 DFAA CCCN(C(=O)c1cccn2cc(C)nc12)[C@@H]1CCCC[C@H]1O 299800317 WRUVXQSHFUTCFT-HZPDHXFCSA-N 315.417 2.798 0 50 DFAA O=C(NC[C@H]1CCOC1)Nc1ccnn1CC1CCCCC1 299796364 MEUFGEUSIPMXRF-CQSZACIVSA-N 306.410 2.621 0 50 DFAA CN(C)Cc1ccccc1CN(C)C(=O)C[C@H]1CCCOC1 584901996 FRKUESVFUFPDIB-OAHLLOKOSA-N 304.434 2.523 0 50 DFAA Cn1cnc(-c2ccc(OCC3(Br)CC3)cc2)n1 585137032 FENOYYZOVDTAOB-UHFFFAOYSA-N 308.179 2.788 0 50 DFAA CC1(C)CN(C(=O)/C=C/c2nc3ccccc3s2)CCO1 492640219 CKQYHUSTGPUVSZ-BQYQJAHWSA-N 302.399 2.947 0 50 DFAA O=C(C1CCCC1)N1CCC(Nc2ncc(Cl)cn2)CC1 584899337 DMXZMRSENLMYKF-UHFFFAOYSA-N 308.813 2.723 0 50 DFAA Cc1cc(C)c(CN[C@H]2CCC(=O)N(CC3CC3)CC2)cn1 584891511 HDHDKHSYBBCXHP-KRWDZBQOSA-N 301.434 2.579 0 50 DFAA Cc1nncn1CCN1CCC(c2nc3ccccc3o2)CC1 670450468 TTYXNVIKHCTKFP-UHFFFAOYSA-N 311.389 2.607 0 50 DFAA Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(C(C)C)=NO3)cc2)n[nH]1 952868380 MJJBWFBWAPPZKH-AWEZNQCLSA-N 313.361 2.520 0 50 DFAA CCSc1ncc(CN[C@H](C)c2nc(C(C)C)no2)cn1 952868844 BERTVZSWVCRCEP-SNVBAGLBSA-N 307.423 2.946 0 50 DFAA COc1ccc2c(c1)[C@@H](C(=O)N[C@H](C)c1cn(C)nc1C)CC2 277239794 LPNIEERXGMJJFK-ABAIWWIYSA-N 313.401 2.644 0 50 DFAA O=C(NCCc1c(Cl)cccc1N1CCCC1)C(F)F 408514898 JWUJPZLZSIVMBZ-UHFFFAOYSA-N 302.752 2.864 0 50 DFAA c1ccc(N2CCCN(c3cc(N4CCCC4)ncn3)CC2)cc1 277344221 FWZRSRXBHMEUKZ-UHFFFAOYSA-N 323.444 2.794 0 50 DFAA CC(C)(C)C[C@H]1CCCN1c1cc(N2CCC[C@@H]2CO)ncn1 169999056 LJZFRGQUAIJVHY-HUUCEWRRSA-N 318.465 2.843 0 50 DFAA COC1(C)CCN(C(=O)c2cccc(Cn3ccnc3)c2)CC1 271687314 PMDFGJJFAXAUOZ-UHFFFAOYSA-N 313.401 2.573 0 50 DFAA O=C(Nc1ccccc1CN1CCNC1=O)c1cccs1 170592846 MKBGDWAUEJNGIH-UHFFFAOYSA-N 301.371 2.526 0 50 DFAA CC(C)(C)c1nc2ccc(I)cn2n1 91691265 HMWUSSZGJVKWNS-UHFFFAOYSA-N 301.131 2.631 0 50 DFAA in-vitro CN(Cc1cc(O)cc(F)c1)C[C@H]1COc2ccccc2O1 186160481 XSNXSVYLMDCJJM-HNNXBMFYSA-N 303.333 2.803 0 50 DFAA CCOc1ccc(NS(=O)(=O)CC2(OC)CCC2)c(C)c1 585118859 FQAVRCNTSNMABF-UHFFFAOYSA-N 313.419 2.705 0 50 DFAA C[C@@H]1OCCC[C@H]1C(=O)NC(C)(C)c1nc2ccccc2n1C 190332278 CEAMNCHFCJJZBR-QWHCGFSZSA-N 315.417 2.740 0 50 DFAA CN(Cc1nnc([C@H]2CCCOC2)o1)Cc1cc(Cl)cn1C 644250924 NMCDVHNGGYLTML-NSHDSACASA-N 324.812 2.588 0 50 DFAA N[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)C1 191331351 HCVWMBMCMWZDQK-CYBMUJFWSA-N 318.348 2.561 0 50 DFAA Cc1cc(NC(=O)Nc2ccccc2-n2nc(C)nc2C)[nH]n1 192282221 MEWYAJUFXPBRQO-UHFFFAOYSA-N 311.349 2.560 0 50 DFAA CCn1cc(CC(=O)Nc2cnn([C@H](C)c3ccccc3)c2)cn1 648503717 FIHVBRCLPZXJOG-CQSZACIVSA-N 323.400 2.890 0 50 DFAA CCN(CCn1cccn1)C(=O)c1cnoc1-c1ccccc1 1506401271 ZYNILEMHKZOELB-UHFFFAOYSA-N 310.357 2.700 0 50 DFAA Cc1cccc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c1C 1529189086 FPXIYJCOFZNPSA-RTBURBONSA-N 300.446 2.598 0 50 DFAA CO[C@@H]1C[C@H](C(=O)NC2(c3ccc(Cl)cc3)CC2)CC[C@@H]1O 1704306506 NRRVHJISIISMSB-BYCMXARLSA-N 323.820 2.621 0 50 DFAA CN(CC[C@@H]1COCCO1)Cc1ccccc1C(F)(F)F 1800411984 SALPJWYRORTYIB-CYBMUJFWSA-N 303.324 2.943 0 50 DFAA Cc1ccc(OCCCN(C)CC[C@H]2COCCO2)c(C)c1 1775978410 SMEPXPOZDWZPAC-KRWDZBQOSA-N 307.434 2.810 0 50 DFAA Cc1ccc(O)c(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)c1 5029665 PXXODVOUMGFMKN-MRXNPFEDSA-N 314.316 2.971 0 50 DFAA CCCc1noc(CN(C)Cc2n[nH]c3c2CCCCC3)n1 12317254 WBHWHGZRXLMTHQ-UHFFFAOYSA-N 303.410 2.646 0 50 DFAA Cc1ccccc1C(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 14957749 RWVBLPOJRYVQTP-INIZCTEOSA-N 314.429 2.906 0 50 DFAA Cc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CCO)C2)o1 19225162 YMIPVTQINCVMGC-SFHVURJKSA-N 314.429 2.657 0 50 DFAA CCCn1c(=O)n(Cc2nc(C(C)(C)C)no2)c2ccccc21 109522227 AHUFTZQSTVAOEE-UHFFFAOYSA-N 314.389 2.942 0 50 DFAA O=C(NC1CCC(F)(F)CC1)c1ncn(-c2ccccc2)n1 332651553 LMMYVWTZBKFJFI-UHFFFAOYSA-N 306.316 2.575 0 50 DFAA O=C(N[C@H]1CCOc2c(F)cccc21)c1cc2n(n1)CCCC2 333252426 DOYZMHIURQLLGR-AWEZNQCLSA-N 315.348 2.612 0 50 DFAA CS(=O)(=O)c1cc(NC[C@@H]2CCSC2)ccc1Cl 585118658 XQLRZSGJYWINIQ-VIFPVBQESA-N 305.852 2.909 0 50 DFAA O[C@@H](CN1CC[C@@H](OCc2ccncc2)C1)c1cccc(F)c1 805754037 VBJAALFOBGJWPR-MSOLQXFVSA-N 316.376 2.545 0 50 DFAA Cc1csc2ncnc(NC[C@H](C)NC(=O)c3ccoc3)c12 1108245545 HZGBBQUTPAQYNA-JTQLQIEISA-N 316.386 2.823 0 50 DFAA CC1(C)CO[C@H](CCNC(=O)c2ccnc(NC3CCC3)c2)C1 924179119 OTHBOIHAZUILPG-OAHLLOKOSA-N 317.433 2.981 0 50 DFAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)c1ccc2c(c1)CCO2 846716014 JEMBOCWVOAAAQM-JKSUJKDBSA-N 323.348 2.665 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 873281405 IOZGWAFWIVBUMF-MEBBXXQBSA-N 318.352 2.810 0 50 DFAA Cn1ncc(-c2nc([C@H]3CCOC3(C)C)no2)c1C(F)(F)F 1875270431 QAWJDGKOJZCWJX-MRVPVSSYSA-N 316.283 2.771 0 50 DFAA COc1cccc(CN2[C@H](C(F)(F)F)CC[C@@H]2C(=O)O)c1 1875283405 RIQAOVUYVQDCOI-NEPJUHHUSA-N 303.280 2.675 0 50 DFAA COc1cccc(CN=c2cc(-c3ccccn3)nc(C)[nH]2)c1 1875265514 UZZJKAOORRRYDR-UHFFFAOYSA-N 306.369 2.890 0 50 DFAA C=CC(=O)N(Cc1ccon1)Cc1c(F)c(F)cc(F)c1F 1875388402 ZZOGJMYRCIGCPZ-UHFFFAOYSA-N 314.238 2.946 0 50 DFAA CCOc1ncccc1CN(C=O)Cc1nn(C)c2ccccc12 1875325638 RAIMJOAJOJKEIL-UHFFFAOYSA-N 324.384 2.526 0 50 DFAA CCOc1cc(C)c(NC(=O)[C@@]2(C)CCC(=O)NC2)cc1C 886039438 HCQDKDGMGMHCNA-KRWDZBQOSA-N 304.390 2.557 0 50 DFAA COc1cc(Br)cc(CNc2nnc(C)c(C)n2)c1 896008248 GYPZDLYFDAVQBB-UHFFFAOYSA-N 323.194 2.872 0 50 DFAA Cc1ccc(OCCCN2CCOCC2)c(Br)c1 20118532 MKPJULFVGKKVGN-UHFFFAOYSA-N 314.223 2.859 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 99566 LFBBZSPSVRDEOF-NVXWUHKLSA-N 311.337 2.938 0 50 DFAA Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H]1C(=O)O 237700396 BPVZHUHWHZOEBW-MRXNPFEDSA-N 310.353 2.746 0 50 DFAA CO[C@H](C(=O)O)C1CCN(Cc2cc(C(C)(C)C)ccn2)CC1 2325791864 FCTNOUMHCRLMDM-INIZCTEOSA-N 320.433 2.691 0 50 DFAA Cc1c(NC2[C@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]3C[C@H]5[C@H]4[C@@H]23)cnn1[C@@H]1CCOC1 2325830060 ZMSFDMUTIVAZLZ-YEDHWYHPSA-N 311.429 2.711 0 50 DFAA Cc1cc(O)c(C2=NCCS[C@@H](c3cccnc3)C2)c(=O)o1 187799 HYRJBLOKXKEYNW-CQSZACIVSA-N 316.382 2.716 0 50 DFAA Cc1cccc(C)c1NC(=O)Cn1cnc2ccccc2c1=O 389206 FEBSTGSHINGZKS-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA COC(=O)c1ccc(NC(=O)c2ccc3nsnc3c2)cc1 871603 PHQICYBJEZAHDF-UHFFFAOYSA-N 313.338 2.730 0 50 DFAA CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCN(C)CC1 6741619 NJUCKTGVTQLAHS-HNNXBMFYSA-N 310.825 2.662 0 50 DFAA COc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1OC 8495361 CBFOWRQYWRKRPB-ZDUSSCGKSA-N 315.369 2.788 0 50 DFAA Cc1nc(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)cs1 65433210 LUSFIMLTIFWQEW-NSHDSACASA-N 320.418 2.978 0 50 DFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](C(C)C)N(C)C 229431981 JPNHBXSTKDXAHI-XHSDSOJGSA-N 304.434 2.501 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(O)c2)N1 323329 KLUQZQYGFCCIQN-JKSUJKDBSA-N 308.337 2.562 0 50 DFAA biogenic CC1(C)[C@H](NC(=O)c2ncoc2-c2cccs2)[C@H]2CCO[C@H]21 230154248 OBWJRVFPTKFGED-OWYVNGRQSA-N 318.398 2.946 0 50 DFAA CC[C@@H](NC(=O)c1cccc(OC)c1OC)c1ncc(C)[nH]1 216021689 WTCXKCJWUVZXLD-GFCCVEGCSA-N 303.362 2.616 0 50 DFAA O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(F)cn1 328612312 OJDMECQVBIGMKH-CZUORRHYSA-N 300.333 2.728 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(c2nccs2)CC1 328631255 QRYXWSZEJJSZDB-UKRRQHHQSA-N 309.479 2.763 0 50 DFAA O=C1CC[C@@]2(CCCO2)CCN1CCOCc1ccccc1 72161081 TUZKJUDVPFKLKG-SFHVURJKSA-N 303.402 2.765 0 50 DFAA Cc1noc(C)c1[C@H](C)CNC(=O)Cc1c[nH]c2ncccc12 152858644 PKHFPAVKLLDYTI-SNVBAGLBSA-N 312.373 2.630 0 50 DFAA CS(=O)(=O)Cc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC2 363320098 XFANEGMUJBSOAZ-KBPBESRZSA-N 322.430 2.780 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCCO1 155682588 ULSLXHQVCLWGKS-QWHCGFSZSA-N 312.410 2.624 0 50 DFAA O=C(NCCSc1ccccn1)c1cccc(-n2cccn2)c1 77541958 ATCIQUXVBJNPEL-UHFFFAOYSA-N 324.409 2.789 0 50 DFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cnsn1 72420186 GBLILRBIJNXLFO-UHFFFAOYSA-N 316.411 2.934 0 50 DFAA O=C(Nc1nc(C2CCC2)cs1)N[C@@H]1CC[C@H]2CNC[C@@H]2C1 333346845 QTQHYMIKPMPYKB-RWMBFGLXSA-N 320.462 2.920 0 50 DFAA O=C(NCC1CC1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 132198414 QBYQYOIJQNUGMN-IRXDYDNUSA-N 310.401 2.821 0 50 DFAA C[C@H]1COc2ccccc2CN1C(=O)c1cncnc1C1CC1 333868232 ORCFLRYOIRDVGS-LBPRGKRZSA-N 309.369 2.777 0 50 DFAA C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 241587910 OYBMUHGTHNULTI-UKPHBRMFSA-N 304.409 2.952 0 50 DFAA CCCOc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c1 241946769 UNUKDJDUCJMCDN-IAGOWNOFSA-N 302.418 2.718 0 50 DFAA C[C@@H](N[C@@H]1CCOC2(CCC2)C1)c1ccc2c(c1)NC(=O)CO2 449124577 GWWQVPFDTCRGDL-TZMCWYRMSA-N 316.401 2.770 0 50 DFAA O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)[C@H]1CCNC1 237877725 VFNYMYPOVYRUPF-YJBOKZPZSA-N 312.388 2.835 0 50 DFAA Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccnc(C(=O)O)c1 450541374 DCMKWCANRZBDJV-ZDUSSCGKSA-N 312.369 2.791 0 50 DFAA O=C1CC[C@@]2(CCCN(Cc3cccc(O)c3)C2)CN1C1CC1 77427520 YYWAVICCBZBMJU-LJQANCHMSA-N 314.429 2.759 0 50 DFAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1cccc(C(N)=O)c1 284745655 DXZDFPBNKAJXHE-AOIWGVFYSA-N 316.445 2.691 0 50 DFAA CC(C)N1CCN(C(=O)NCc2cc(C3CC3)ccc2F)CC1 458912570 LVDGQNRSYPWHMH-UHFFFAOYSA-N 319.424 2.939 0 50 DFAA Cc1cccc2oc(CNC(=O)[C@H]3Cc4ccccc4O3)nc12 222590419 WKRBIAASFXCDSL-OAHLLOKOSA-N 308.337 2.756 0 50 DFAA O=C(NC[C@H]1CCOC1)c1ccc(-c2cc(F)ccc2O)cc1 426372316 QQTFCKOBNRRHLX-GFCCVEGCSA-N 315.344 2.965 0 50 DFAA CSCCCNC(=O)c1ccc(-c2c[nH]ccc2=N)cc1 426445579 NNAZQBWYCAUYGN-UHFFFAOYSA-N 301.415 2.644 0 50 DFAA NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2Br)C1 178564303 XKPQEYKFCXHHJK-MRVPVSSYSA-N 317.614 2.523 0 50 DFAA CC(C)Nc1ncc(C(=O)NCCCOC2CCCCC2)cn1 97717001 IDGPQRWJNYKYQZ-UHFFFAOYSA-N 320.437 2.766 0 50 DFAA COc1cc(F)ccc1[C@H](C(=O)O)N(C)Cc1csc(C)n1 95381129 NGSSIPJTTOVCKN-CQSZACIVSA-N 324.377 2.857 0 50 DFAA CC1(C)Cc2cc(CNC(=O)[C@H]3CC[C@@H](C(=O)O)C3)ccc2O1 426689372 ZJKTXSJGMSQOPT-QWHCGFSZSA-N 317.385 2.517 0 50 DFAA CCN(C/C=C/c1ccccc1)C(=O)c1cnc(C2CC2)[nH]c1=O 97679885 BSIUDIZQRGSKHF-RMKNXTFCSA-N 323.396 2.823 0 50 DFAA COc1cccc2c1OC[C@@H](Cc1ncc(C)c(N(C)C)n1)C2 95366895 LCSYYYFYHOTCRF-CYBMUJFWSA-N 313.401 2.653 0 50 DFAA COCCN(Cc1ccco1)C(=O)c1cn(C)nc1C(C)(C)C 292652789 LBYHQUXMDPIEMZ-UHFFFAOYSA-N 319.405 2.599 0 50 DFAA COc1ccc2c(=O)n(C[C@H]3CCCCO3)ccc2c1OC 95375790 PXPWDSQDVONCNZ-GFCCVEGCSA-N 303.358 2.588 0 50 DFAA Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccc(Cl)c(F)c2)cn1 181905154 SUCZCUKPQJJJSH-ZDUSSCGKSA-N 322.723 2.738 0 50 DFAA c1cc([C@H]2CCN(c3nc(C4CCOCC4)ns3)C2)ccn1 624359665 SJEJNDQLZVMQIS-AWEZNQCLSA-N 316.430 2.821 0 50 DFAA CC(C)n1ccnc1CNC(=O)[C@H](C)N(C)C1CCCCC1 534675231 MZJRUUFZYDNWQR-AWEZNQCLSA-N 306.454 2.733 0 50 DFAA OCCn1nc(COc2ccc(F)cc2)nc1[C@H]1CC=CCC1 670446885 XGHHXUABTRWDED-ZDUSSCGKSA-N 317.364 2.812 0 50 DFAA CN(C[C@H](O)c1ccc(O)cc1)C(=O)Cn1ccc2ccccc21 888105064 VUSRHLKXQGPVRO-SFHVURJKSA-N 324.380 2.539 0 50 DFAA OC[C@@H]1CCCN(CCNCc2ccc(Cl)c(Cl)c2)C1 952981792 MSXXLCHBPIAWOL-CYBMUJFWSA-N 317.260 2.787 0 50 DFAA Cc1oncc1NS(=O)(=O)c1cc(C(=O)O)ccc1C(C)C 269361326 VTZUQDGWRCLXQO-UHFFFAOYSA-N 324.358 2.605 0 50 DFAA CCCC[C@@H](CC)CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 170600174 QXEBQLOOKVZQCD-VXGBXAGGSA-N 322.371 2.872 0 50 DFAA CCO[C@@H]1C[C@H](NC[C@@H]2Cc3ccccc3O2)C12CCOCC2 170082814 RHMVRDNGUNDKKN-RYQLBKOJSA-N 317.429 2.554 0 50 DFAA C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H](C)N)C1 170070573 QRHOOHSESHMTFI-GIPNMCIBSA-N 300.324 2.962 0 50 DFAA Cc1nc([C@H](NC[C@H]2CCC=CO2)c2ccccc2F)no1 194457554 YROHSMHFGXGMMK-IUODEOHRSA-N 303.337 2.889 0 50 DFAA O[C@@H]1CCc2cnn(Cc3cc(F)ccc3OC(F)F)c2C1 664008077 YAEUJYRSKWRBRB-GFCCVEGCSA-N 312.291 2.522 0 50 DFAA COCc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)o1 584907960 VFOGNLGENXQSPB-ZROIWOOFSA-N 320.414 2.816 0 50 DFAA CCOc1cccc(CN(C)C[C@@H](O)C2CC2)c1OC(F)F 585084638 XMEYUUZDGWLRPV-CYBMUJFWSA-N 315.360 2.889 0 50 DFAA O=C(NCc1cccs1)[C@H]1CCCN(Cc2ccccn2)C1 585135335 CIAZALGMSLUJIA-AWEZNQCLSA-N 315.442 2.672 0 50 DFAA COc1cccc(C(=O)NCCc2coc(-c3ccccc3)n2)n1 1318998087 LSIVLZBREYXGCC-UHFFFAOYSA-N 323.352 2.718 0 50 DFAA CCc1nn(C)c(NC(=O)[C@@H](C)N(C)C2CCCCC2)c1C 1529154269 IOUYFVPVZOFZJL-CYBMUJFWSA-N 306.454 2.882 0 50 DFAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1ccccc1-n1cnnc1 1529127047 YAGWCJQOZBZVHK-CYBMUJFWSA-N 324.388 2.996 0 50 DFAA O=C1[C@@H]2CC[C@@H](CN(c3ncccc3Cl)C2)N1CC1CCC1 213378462 IKTNFFBSBNGBNG-KGLIPLIRSA-N 319.836 2.962 0 50 DFAA O=C(O)c1cc(O)cc(C(=O)N2CC[C@H]2c2cccs2)c1 1772706641 KDFZRGIUJPIBIL-LBPRGKRZSA-N 303.339 2.739 0 50 DFAA Cc1cccc(N2CCN(C(=O)c3c(C)noc3C)CC2)c1C 5094386 CIAIEJISYKOGCY-UHFFFAOYSA-N 313.401 2.871 0 50 DFAA CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2C)n1C 5209562 FBVCDXHQHMQWAL-GFCCVEGCSA-N 318.446 2.797 0 50 DFAA Cc1noc(C)c1C(=O)NCc1cccc(Br)c1 13746775 MVBCXIUYPMIDKE-UHFFFAOYSA-N 309.163 2.984 0 50 DFAA C[C@]1(CCC(=O)N2CCC[C@H](c3ccccc3)C2)CCC(=O)N1 14878806 CWIQVKSNMQYVLT-QFBILLFUSA-N 314.429 2.842 0 50 DFAA CCOc1ccc(C(=O)NCCN2CCCCC2)cc1OCC 16580070 AIPWNYZQTPKHTL-UHFFFAOYSA-N 320.433 2.700 0 50 DFAA Cc1csc2ncnc(N3CCC[C@@](O)(C(F)(F)F)C3)c12 413161387 VRABEGPVEUDGGR-LBPRGKRZSA-N 317.336 2.893 0 50 DFAA O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1ccon1 126399007 ZUHGWWYAZXGNJZ-NSHDSACASA-N 305.765 2.727 0 50 DFAA COc1ccc2c(c1)CCN2C(=O)c1ccc(C(=O)O)s1 237536758 DETJZXRSJAOCMD-UHFFFAOYSA-N 303.339 2.658 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1cc(F)ccc1F 237986179 YIIMZMFPJJNAAG-CYBMUJFWSA-N 311.328 2.753 0 50 DFAA CN(C)C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 252504016 VHVGRZFXXQEOCZ-LSDHHAIUSA-N 310.825 2.628 0 50 DFAA COc1ccc(C)cc1CCNS(=O)(=O)CCC1CCC1 253430665 RUUMCDUCEAMVLG-UHFFFAOYSA-N 311.447 2.656 0 50 DFAA COC(=O)c1ccc(CNCc2cnc(C)cc2C)cc1F 397580578 DXHTXCGECQFMJM-UHFFFAOYSA-N 302.349 2.914 0 50 DFAA CN(Cc1ccc(F)cc1)Cc1cc(C2CCNCC2)no1 1875266304 VSVGINBMYBJRJD-UHFFFAOYSA-N 303.381 2.913 0 50 DFAA Oc1n[nH]c([C@@H]2[C@H](C3CC3)CCN2c2ccncc2Cl)n1 1875400088 QLXHNYLDZLSRDC-CABZTGNLSA-N 305.769 2.536 0 50 DFAA CC(=O)N1CCC[C@H](c2nnc(/C=C/c3ccco3)o2)[C@@H]1C 886084596 NKLLNHKRPFHEBA-XNHDODSBSA-N 301.346 2.947 0 50 DFAA O=C(c1ncc2ccccc2c1O)N1C[C@H]2C[C@@]2(C(F)(F)F)C1 888092884 NDFFVPYDWSSCJN-MEBBXXQBSA-N 322.286 2.965 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1c2ccccc2OC[C@H]1F 899836443 VHJIXBSJLBQZIF-KFNAQCHYSA-N 323.364 2.711 0 50 DFAA CC1=NOC2(C1)CC(C(=O)N[C@@H]1CCCc3nc(C)sc31)C2 2325784937 VGJKMHXICYTZQW-RYCVTPFZSA-N 319.430 2.890 0 50 DFAA COc1cccc([C@@H](CN)NC(=O)c2cc3c(o2)CCCC3)c1 2325792240 OQGAUHUAVRIOOA-OAHLLOKOSA-N 314.385 2.597 0 50 DFAA O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)c3cccc1c23 134865 RTWGCGSQEXTAJJ-UHFFFAOYSA-N 316.382 2.580 0 50 DFAA C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)C[C@@H](C)O1 456976 DTCOTJYVYOSXAV-GHMZBOCLSA-N 312.207 2.627 0 50 DFAA O=C(O)CCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 462499 HCLCYIGHCKYEQX-UHFFFAOYSA-N 316.313 2.725 0 50 DFAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 608849 ILPXQJQZMLEDCR-VIFPVBQESA-N 323.805 2.851 0 50 DFAA Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 1386234 FLFFUOCCWRXKSU-UHFFFAOYSA-N 313.140 2.673 0 50 DFAA COc1ccc(CCN[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC 4325891 ASIXXJPWMHNLIN-IJEWVQPXSA-N 306.450 2.565 0 50 DFAA Cc1ccc(-c2noc([C@H](C)NC(=O)c3ccncc3)n2)cc1 4998280 JEADZWMIVPHTAQ-LBPRGKRZSA-N 308.341 2.931 0 50 DFAA CCOc1cc(C)c(S(=O)(=O)Nc2cccnc2)cc1C 6721150 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CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 252516739 WGZIWVIDGVQGEM-YQQAZPJKSA-N 320.408 2.644 0 50 DFAA C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(-c2ccco2)cc1 252500313 SRYRSEYFTLQEGZ-NHYWBVRUSA-N 313.357 2.593 0 50 DFAA C[C@@H]1CNCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12 124445061 CMOHKLABDPSKGH-LLVKDONJSA-N 313.376 2.685 0 50 DFAA CCOc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C)c32)cc1OC 35171246 CVEBBDSVSHCUQE-NSHDSACASA-N 301.346 2.600 0 50 DFAA C[C@H]1CC(C)(C)C[C@](CO)(NCc2cn(C(C)(C)C)nn2)C1 359732497 QRPQXCRRALBHTG-SUMWQHHRSA-N 308.470 2.700 0 50 DFAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H]1COCCO1 240551556 GUPQIIZJHHPVCO-YWPYICTPSA-N 311.809 2.706 0 50 DFAA Cc1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)nc1 157472117 IIVGLXRAGXAMME-HNNXBMFYSA-N 302.422 2.730 0 50 DFAA Cc1ccnn1-c1ccccc1NC(=O)N1CCOC[C@@H](C)C1 374939088 ZGYHAKWSHZORLA-ZDUSSCGKSA-N 314.389 2.681 0 50 DFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H]1C(C)(C)O 128585712 RAFABJJGLWFOCB-CQSZACIVSA-N 318.373 2.547 0 50 DFAA 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C[C@@H]1CC[C@@H](CCC(=O)N[C@H](CC(=O)O)c2ccccc2)O1 268894608 BYOGKWOTBUVTRE-VHDGCEQUSA-N 305.374 2.666 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ccncc2)CC1 277616342 RDGAYEJQHHJHNW-SJORKVTESA-N 302.418 2.993 0 50 DFAA CC(C)(C)C[C@@H]1CCCN1c1cc(N2CCC[C@@H]2CO)ncn1 169999053 LJZFRGQUAIJVHY-LSDHHAIUSA-N 318.465 2.843 0 50 DFAA CC(C)(C(=O)Nc1cccc(OCC(=O)O)c1)[C@@H]1CCCCO1 630135312 KQACMKDSFTXIMR-AWEZNQCLSA-N 321.373 2.684 0 50 DFAA CC1=C(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CCCO1 190198908 GFYBVPVAJNJZQC-RDJZCZTQSA-N 301.386 2.965 0 50 DFAA C[C@H](CN(C(=O)C[C@H]1CCc2ccccc21)C1CC1)C(=O)O 195552006 AFGDLWLNIUEPGC-TZMCWYRMSA-N 301.386 2.818 0 50 DFAA CN(Cc1cn(C)nc1C1CCCCC1)Cc1nccn1C 195563216 NSWDOMRJYUCRQW-UHFFFAOYSA-N 301.438 2.833 0 50 DFAA CCN1CC[C@@H](Sc2n[nH]c(/C=C/c3ccc(C)o3)n2)C1=O 657243521 WOCZPKFMFQGOOE-NNNHXZLVSA-N 318.402 2.589 0 50 DFAA O=C([C@@H]1CCN(Cc2ccc(F)cc2)C1)N1CCCSCC1 585090970 HVQJZVOYYHKHIG-OAHLLOKOSA-N 322.449 2.613 0 50 DFAA O=C(CSC[C@H]1CCCCO1)Nc1c(F)ccnc1F 585124523 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301.346 2.508 0 50 DFAA CC[C@H](c1ccccc1)c1nnc2n1CC[C@H](C(=O)OC)CC2 601043574 DODANLWLYRTYPF-HUUCEWRRSA-N 313.401 2.946 0 50 DFAA CCn1c([C@H]2OCC[C@H]2C)nn(C/C=C/c2ccccc2)c1=O 328639452 PNDABYGDPUCOAW-PPEJIECUSA-N 313.401 2.876 0 50 DFAA O=C(Nc1ccccc1Cl)C1(n2cnnn2)CCCCC1 61719905 SITWNWOGUPZEEB-UHFFFAOYSA-N 305.769 2.625 0 50 DFAA CCn1nccc1C(=O)Nc1scc(C2CC2)c1C(=O)OC 121402285 HWUPJEXBOOSWGK-UHFFFAOYSA-N 319.386 2.881 0 50 DFAA COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 282032203 LNVRGLXGERVUTO-RCCFBDPRSA-N 317.429 2.780 0 50 DFAA COC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041692 GCPWNTOCVXRZQV-UHFFFAOYSA-N 312.152 2.990 0 50 DFAA O[C@@H](CNCc1ccc(OC(F)(F)F)cc1)C(F)(F)F 4060906 NYCAASSIWVAVEJ-VIFPVBQESA-N 303.202 2.598 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccsc1 328614528 AHNHEYIBDMOFDI-HOCLYGCPSA-N 315.442 2.908 0 50 DFAA COc1ccc2nc(NC(=O)CN3CCC(C)CC3)sc2c1 4833459 RITFBPXIZBJILT-UHFFFAOYSA-N 319.430 2.975 0 50 DFAA Cc1ccc(N2C[C@H](n3ccnc3-c3[nH]cnc3C)CC2=O)cc1 77488285 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311.425 2.981 0 50 DFAA O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)n2cccc21 333260164 AWSXUSJYKRMVEJ-QNDJGXFYSA-N 320.392 2.850 0 50 DFAA CCc1nc(C)sc1CN1CCCC[C@@H]1CN1CCOCC1 77554400 GDXPTOPRTWXWFE-OAHLLOKOSA-N 323.506 2.701 0 50 DFAA O=C(c1cnnn1-c1ccccc1)N1CCC[C@@H]1c1ccccn1 71752632 ROROMENWOCIYPI-MRXNPFEDSA-N 319.368 2.640 0 50 DFAA Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H](C)Cn2ccnc2)s1 241961300 URFRBIUUBDEIDJ-IACUBPJLSA-N 303.431 2.809 0 50 DFAA O=C(O)[C@H]1CN(C(=O)CCc2cccs2)c2ccccc21 131956255 BGSTXAWDZSCGQA-ZDUSSCGKSA-N 301.367 2.896 0 50 DFAA CC(=O)Nc1nc(C(=O)N2CC(C)(C)CC(C)(C)C2)cs1 341498418 JOGKBPARPGYZTN-UHFFFAOYSA-N 309.435 3.000 0 50 DFAA COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3CO)o2)cc1 19144074 MPMUAVAFABSGQP-CYBMUJFWSA-N 301.342 2.552 0 50 DFAA Cc1cc(C(=O)N(C)CCc2ncon2)c(-c2ccccc2)o1 426602489 MGGLOANKQYTTAU-UHFFFAOYSA-N 311.341 2.953 0 50 DFAA Cc1cc(C(=O)NC[C@H]2CCOC2)c2cc(Cl)ccc2n1 426652083 UAMJXSSHNRTAQX-LLVKDONJSA-N 304.777 2.963 0 50 DFAA C[C@@H](NC(=O)C(C)(C)N1CCCC1)c1nc2ccccc2[nH]1 426531778 PJECSBUMEADNDM-GFCCVEGCSA-N 300.406 2.615 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1Cl 91645025 IUIVOMRLBJGLEC-NWDGAFQWSA-N 323.776 2.531 0 50 DFAA CO[C@H](CNC(=O)CCC1CCN(C)CC1)c1cccs1 426495619 MXBLASBSLOIZRF-CQSZACIVSA-N 310.463 2.674 0 50 DFAA Cc1cc2[nH]c(CN(C)Cc3cccc(C)c3C)cc(=O)n2n1 334159661 WVLKBJHVHQSSIC-UHFFFAOYSA-N 310.401 2.580 0 50 DFAA COC(=O)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 95516807 PXBGLTQBERZSAY-VIFPVBQESA-N 314.744 2.896 0 50 DFAA Cc1noc2ncnc(NCCc3noc(C4CCCC4)n3)c12 95369816 JGORPTDDSWSYLZ-UHFFFAOYSA-N 314.349 2.621 0 50 DFAA Cc1[nH]c2c(-c3nc(CC4CC4)nn3CCO)cccc2c1C 91656954 FXBAOSPYDMTNMK-UHFFFAOYSA-N 310.401 2.988 0 50 DFAA C[C@H](CN1CCC2(CCc3ccccc32)CC1)N1CCOCC1 244884164 YGPYISMNZHWBKF-QGZVFWFLSA-N 314.473 2.687 0 50 DFAA Cc1cc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)cc(O)n1 293952116 OYNJWVIXIUAJJZ-VIFPVBQESA-N 317.292 2.586 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)c2cnc(-c3cccs3)s2)C1 299743210 KBORBQGLEOYWGC-AWEZNQCLSA-N 322.411 2.808 0 50 DFAA C[C@]12CCC(=O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@H]12 257345953 NRRGYVQICKWYRF-YVIPBEMWSA-N 306.446 2.930 0 50 DFAA Cc1oc(CN(C)C(=O)CO[C@H]2CCC[C@@H](C)C2)cc1C(=O)O 299750470 NNEYIZPAZLAXMN-YPMHNXCESA-N 323.389 2.840 0 50 DFAA Cc1c(C(=O)N2CCC[C@H](CC(=O)O)CC2)cnn1C(C)(C)C 299743902 MPSCIRQALJQHNE-ZDUSSCGKSA-N 321.421 2.664 0 50 DFAA O=C1CC[C@H](NCC2(c3ccccc3F)CCCC2)CCN1 534581850 COCRNCLMKTZWOM-AWEZNQCLSA-N 304.409 2.896 0 50 DFAA Cn1ccnc1[C@@H](NC1CCN(Cc2ccco2)CC1)C1CC1 534639328 WOMXWVFTEKZBKS-KRWDZBQOSA-N 314.433 2.718 0 50 DFAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@@H]1CCCCO1 299759804 PNESZLDDOOBXHS-SFHVURJKSA-N 316.445 2.551 0 50 DFAA COCC1(CNC(=O)CCC(=O)NC2CCCCCC2)CCC1 824347127 PPEFEVUOCSJUSJ-UHFFFAOYSA-N 324.465 2.539 0 50 DFAA CC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)c1nc(C)c(C)s1 670448721 ZFFGMKYDDDKNSC-CYBMUJFWSA-N 306.435 2.910 0 50 DFAA Cc1ccc(-c2cccc(CN3CCN4C(=O)OC[C@@H]4C3)c2)o1 670462961 RETFXQQGIGNLMZ-INIZCTEOSA-N 312.369 2.891 0 50 DFAA C[C@@H]1Oc2ccc(F)cc2N(Cc2ccc(C(=O)O)cc2)C1=O 57766274 QHQKNSONNKFGNC-JTQLQIEISA-N 315.300 2.838 0 50 DFAA in-vitro CC1(C)C[C@H](NC(=O)c2ccc3oc(S)nc3c2)CCO1 408517942 QAJIFFDMLVDPJQ-SNVBAGLBSA-N 306.387 2.804 0 50 DFAA COCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCc2occc21 170088913 HDMCQUVOUGMZNY-QWHCGFSZSA-N 302.378 2.520 0 50 DFAA COc1ccc([C@@H](C)CN[C@H]2CCO[C@@H]2c2nccn2C)cc1 275413254 DEJWABWMMMYSLT-JQFCIGGWSA-N 315.417 2.652 0 50 DFAA O=C(O)c1cnc(C2CCN(C(=O)c3cccs3)CC2)s1 630241582 BGPLJEQOIMKFRB-UHFFFAOYSA-N 322.411 2.923 0 50 DFAA O=C(c1ccccc1)N(Cc1ccccn1)[C@@H]1CCCNCC1 186572303 BHSILCCXYMOLIT-GOSISDBHSA-N 309.413 2.866 0 50 DFAA CCc1cc(NC(=O)c2ccc(=O)n(CCOC)c2)ccc1C 679212492 ODIAHHKOQFMYCP-UHFFFAOYSA-N 314.385 2.618 0 50 DFAA COc1cc(OC)cc(N(C)C(=O)Cc2c(C)noc2C)c1 190081338 DSQBYLMHPRCUEX-UHFFFAOYSA-N 304.346 2.514 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1 190484078 TZNRXVUTOBAFDU-LLVKDONJSA-N 323.339 2.710 0 50 DFAA CCNCc1cccc(NC(=O)[C@@]2(C(=O)O)CC=CCC2)c1 656852682 CVFVHCKKOSUQRO-QGZVFWFLSA-N 302.374 2.546 0 50 DFAA COc1ncccc1CN(Cc1ccncc1)C[C@H]1CCCO1 1506417391 JCMAZSMOJVBJGB-QGZVFWFLSA-N 313.401 2.666 0 50 DFAA Cc1ccc(-c2cc(NCCO)ncn2)c(-n2nc(C)cc2C)c1 1506405658 WGXJFFJEPLQGRA-UHFFFAOYSA-N 323.400 2.659 0 50 DFAA Cn1nc2c(c1NC(=O)CCCOc1ccccc1)CSC2 1506415858 BCFHRUOYIKLHBV-UHFFFAOYSA-N 317.414 2.965 0 50 DFAA CCN(C)c1cc(NCc2ccc3c(c2)OCCCO3)ncn1 1529197796 WKMFSRKTRJXJRE-UHFFFAOYSA-N 314.389 2.706 0 50 DFAA COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 5185224 BXYDRXXLNSREMP-HZPDHXFCSA-N 311.337 2.690 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCCN2)cc1OCC(C)C 5380649 NXHDCLSFNGUNBX-CQSZACIVSA-N 306.406 2.811 0 50 DFAA C[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]c(=O)c2ccccc12 18124607 NPJKHBDODNYACS-LBPRGKRZSA-N 307.353 2.756 0 50 DFAA CCCn1c(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(O)nc21 18270677 JRRRCMBVKRFSHK-UHFFFAOYSA-N 318.764 2.566 0 50 DFAA c1nc(N2CCC(C3CCNCC3)CC2)c2sccc2n1 1857670049 NBTPBKWYZLHVBJ-UHFFFAOYSA-N 302.447 2.907 0 50 DFAA O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CCc2cn[nH]c2C1 119819327 JFGLKEKXEFBAGR-LRDDRELGSA-N 313.376 2.848 0 50 DFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)C1 237298892 GTXSECSWFPONHH-ZIAGYGMSSA-N 324.852 2.874 0 50 DFAA CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C2CC2)cc1 241317042 LXHJEAWYNYEZJI-KRWDZBQOSA-N 314.429 2.971 0 50 DFAA C[C@H](Sc1nccn1C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 241317010 LWZHPTIQMHHHPG-HTVCTNPSSA-N 307.463 2.842 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)C1 133978075 WNRDAUIONWZFJM-GFCCVEGCSA-N 319.430 2.844 0 50 DFAA Brc1cnc([C@@H]2CCCCN2Cc2ccno2)nc1 932519755 CJBWZZHRBKLCJL-LBPRGKRZSA-N 323.194 2.954 0 50 DFAA O=C(NCc1nnc(C2CC2)o1)c1ccc(F)c2occc12 935482812 RTEUKBWFWWFXIU-UHFFFAOYSA-N 301.277 2.762 0 50 DFAA CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1CC(=O)O 846231615 JPGUGZQUPCTKST-UHFFFAOYSA-N 313.353 2.674 0 50 DFAA C[C@@H](C(=O)N1CCC(c2cc(O)no2)CC1)c1cccc(O)c1 1875296444 XNLFESUEOGDYHZ-LLVKDONJSA-N 316.357 2.596 0 50 DFAA C[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc(C3(C)CC3)nn2)c1 1875323517 KOPOMHHWHZPWSH-WFASDCNBSA-N 310.401 2.591 0 50 DFAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1cccc(C2CC2)c1 1875400065 QGCMNESFKYLKPD-ATZDWAIDSA-N 311.429 2.690 0 50 DFAA CC[C@H](Nc1nc(C)nc2c1cnn2C)c1c(C)nn(C)c1C 956944796 RPBITZYXEPFKSH-ZDUSSCGKSA-N 313.409 2.585 0 50 DFAA CCCNC(=O)c1cccc(CN[C@@H](C)c2conc2C)c1 888098487 JULQLIISSRKWCI-LBPRGKRZSA-N 301.390 2.974 0 50 DFAA COc1ccc(S(=O)(=O)N2CCC(C)CC2)c2cccnc12 4776427 CIRRPHZZHMRWFD-UHFFFAOYSA-N 320.414 2.664 0 50 DFAA CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccccc2)CC1=O 1857796597 RJZXWWIPHLPCEQ-SFHVURJKSA-N 303.402 2.667 0 50 DFAA CN(CC(C)(F)F)C(=O)N=c1[nH]nc(-c2ccsc2)s1 2325807908 GFOPOOWMNPPACD-UHFFFAOYSA-N 318.374 2.807 0 50 DFAA O=C(CC1CC1)N1CC(n2cc(-c3ccc(Cl)cc3)nn2)C1 2325822848 RTYRNSTVWSKTGB-UHFFFAOYSA-N 316.792 2.782 0 50 DFAA C[C@@H](NC(=O)Nc1ccc2ncnc(O)c2c1)c1nccs1 2325879029 FYQBKJYOHSGDTH-MRVPVSSYSA-N 315.358 2.675 0 50 DFAA COc1ccc(CNCc2cc(OC)c(O)c(OC)c2)cc1 172102 DXFDCRAUONKSFT-UHFFFAOYSA-N 303.358 2.708 0 50 DFAA Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 617842 QVMMYSCIXIFTPY-HNNXBMFYSA-N 323.396 2.998 0 50 DFAA COc1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)ccc1C(=O)O 2356140186 XYERBCHTMMBONX-CQSZACIVSA-N 311.337 2.664 0 50 DFAA COC(=O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F 2831535 QZQGTUFXOOSYAO-UHFFFAOYSA-N 311.206 2.664 0 50 DFAA CCCN1CCC[C@]2(CCCN2C(=O)c2ccccc2)C1=O 2356153035 OEAVDNHVRRROJV-SFHVURJKSA-N 300.402 2.694 0 50 DFAA CCCc1cnc(C)nc1N1CCC2(CC1)C[C@](C)(O)CCO2 2356161563 ABICNEDDYKAHPX-QGZVFWFLSA-N 319.449 2.638 0 50 DFAA CCCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)no1 3908924 JTYLVBNAVMNLFX-UHFFFAOYSA-N 318.373 2.617 0 50 DFAA CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12 4199922 YRRWQMBIMZMVDB-UHFFFAOYSA-N 312.373 2.744 0 50 DFAA in-vitro CCn1c(S[C@H](C)C(=O)O)nc2sc3c(c2c1=O)CCC3 4339196 BWDMSMJXEZXAPE-SSDOTTSWSA-N 324.427 2.532 0 50 DFAA COc1cc(S(=O)(=O)NC2CCCCC2)c(OC)cc1C 6698072 QLDOWIPVHWXYGH-UHFFFAOYSA-N 313.419 2.623 0 50 DFAA COc1ccc(CCCNS(=O)(=O)Cc2ccccc2)cc1 10543188 QTIMWIUTJZWEJN-UHFFFAOYSA-N 319.426 2.747 0 50 DFAA CCCN1CCC(NC(=O)COc2ccc(C)c(C)c2)CC1 8130650 BZZUQNAEROEWMI-UHFFFAOYSA-N 304.434 2.673 0 50 DFAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1cnn2cc(C)cnc12 55415083 BKTXZIXHFIDJJV-AWEZNQCLSA-N 323.400 2.874 0 50 DFAA CCN(CCN1CCCCCC1)C(=O)c1cn2ccsc2n1 55575707 AECFCOIEWOJVEV-UHFFFAOYSA-N 320.462 2.734 0 50 DFAA CC(C)C[C@@H](CN)NC(=O)NC[C@H]1CSc2ccccc21 418270293 ZRQDYTNLQLTDDR-STQMWFEESA-N 307.463 2.549 0 50 DFAA CN1CCN(CCCCOc2ccc(Cl)cc2C=O)CC1 20652704 QXCULIYJLJTIEF-UHFFFAOYSA-N 310.825 2.559 0 50 DFAA CCOC(=O)CC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 35633115 JDIFHIYGJWKGHP-UHFFFAOYSA-N 313.394 2.546 0 50 DFAA Cc1ccc(NCCNC(=O)Nc2cccc(Cl)c2)nn1 65365685 YPWWWRGHFKHALC-UHFFFAOYSA-N 305.769 2.672 0 50 DFAA Cc1ccc2cc(CN3CCC(C(C)(C)O)CC3)c(=O)[nH]c2c1 67946841 GZCHAUWYRLQUBL-UHFFFAOYSA-N 314.429 2.819 0 50 DFAA COc1ccccc1-n1nc(CC(C)C)nc1[C@H]1CCOC1 65499597 DOXKDTQIEYJAER-ZDUSSCGKSA-N 301.390 2.978 0 50 DFAA COC1(CC(=O)N2CCC([C@H]3N=C(O)C3(C)C)CC2)CCC1 329433824 IIISAPPUTNZJRM-CQSZACIVSA-N 308.422 2.549 0 50 DFAA O=C(O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 109845 BGEBUJJAUHQRGW-UHFFFAOYSA-N 300.701 2.737 0 50 DFAA Cc1noc2nc(C(C)C)cc(C(=O)NC[C@H]3CCCO3)c12 36353216 QJXQNAXGZUHBRV-LLVKDONJSA-N 303.362 2.563 0 50 DFAA CN(c1ncc(C(F)(F)F)cc1Cl)N1CC(C)(C)C1=O 1383260 QYOXXTANKOVETI-UHFFFAOYSA-N 307.703 2.973 0 50 DFAA CCOc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 35099160 XUWJWXDWWZWLLR-UHFFFAOYSA-N 312.778 2.935 0 50 DFAA Cc1nccc(C2CCN(C(=O)CCc3cccnc3)CC2)n1 215855643 MLEWIBLXPXFOKU-UHFFFAOYSA-N 310.401 2.519 0 50 DFAA CCc1ncc(S(=O)(=O)N[C@H](c2ccccc2)C(C)C)[nH]1 70420508 ZURLVLWPEUIWJA-HNNXBMFYSA-N 307.419 2.648 0 50 DFAA O=C(N[C@@H]1CCCNC1)c1cnc2ccccc2c1C(F)(F)F 428122152 ROMGXYOXCTYCBQ-SNVBAGLBSA-N 323.318 2.735 0 50 DFAA CCCOC(=O)N1CCC[C@@]2(C1)C(=O)N(C)c1ccccc12 72161584 WCRLRLWSMMPPRY-KRWDZBQOSA-N 302.374 2.543 0 50 DFAA Cc1[nH]c2ccc(C(=O)N3CCC[C@](F)(CO)C3)cc2c1C 367817451 YLSQHVQAPSXMRC-QGZVFWFLSA-N 304.365 2.721 0 50 DFAA COc1ncc(C)cc1NC(=O)C[C@@H](C)c1c(C)n[nH]c1C 156714294 OQRYLQIPBGMRML-SNVBAGLBSA-N 302.378 2.871 0 50 DFAA CC(C)c1ncsc1C(=O)N1CC[C@@H](Oc2ccccn2)C1 331514526 YBDZCOLQOYSEMN-GFCCVEGCSA-N 317.414 2.955 0 50 DFAA Cc1cc(NCCCSc2nnc(C)s2)n2nccc2n1 72481527 CESKRKGFBWOPEH-UHFFFAOYSA-N 320.447 2.792 0 50 DFAA O=C(Cc1cccs1)N1CCC[C@H](OCc2cccnc2)C1 77554983 CDIVVBCKWLKJRW-HNNXBMFYSA-N 316.426 2.893 0 50 DFAA CCc1nnc(CNC(=O)CCCc2ccc(Cl)cc2)o1 77521462 BUUBRPVYXQSJOT-UHFFFAOYSA-N 307.781 2.925 0 50 DFAA C[C@@H](CN(C(=O)[C@@H]1SCCc2ccccc21)C1CC1)C(=O)O 237453015 QMAPQVHQSYMDNJ-XHDPSFHLSA-N 319.426 2.729 0 50 DFAA Cn1nc(C(=O)N2CC[C@@H]2c2cccs2)c2c1CCCC2 215466510 FUYXUCITJDKNAE-CYBMUJFWSA-N 301.415 2.948 0 50 DFAA O=C(O)c1cnn(C2CCN(C(=O)CC3=CCCCC3)CC2)c1 263089445 DMYVQOSTDOFPBE-UHFFFAOYSA-N 317.389 2.635 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 237612692 DJGWTGBPAGHBFV-CYLBZQBVSA-N 307.463 2.792 0 50 DFAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)c2cccs2)c1 263196297 NAZKKXFENINALL-MRXNPFEDSA-N 319.382 2.877 0 50 DFAA Cc1ccc(Cn2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 17056536 YLTLJTWXLMISEA-IYBDPMFKSA-N 323.396 2.919 0 50 DFAA CCc1cc(Cl)ccc1NC(=O)N(CC)[C@H]1COC[C@@H]1O 426575138 QIAHRWZJELYSQK-KBPBESRZSA-N 312.797 2.516 0 50 DFAA Cc1nn(C(C)C)c(C)c1CNC(=O)CCc1cccn1C 426628749 KGBQRBSTQIAHFO-UHFFFAOYSA-N 302.422 2.668 0 50 DFAA O=C(NC1CCN(C2CCCC2)CC1)c1cc(C2CC2)on1 177434474 INFTXJQSITUUPK-UHFFFAOYSA-N 303.406 2.689 0 50 DFAA CCc1cc(CN(C)C(=O)[C@H](C)n2ccnc2C(C)C)on1 95526801 QZLDJFBISNZXRI-LBPRGKRZSA-N 304.394 2.777 0 50 DFAA Cc1nc(N[C@@H](CC(C)C)c2ncnn2C)c2c(C)noc2n1 95360601 JFRCEJYNRVKBGU-NSHDSACASA-N 315.381 2.562 0 50 DFAA Cn1cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c(C2CC2)n1 292663242 WWOPJBSHGSAWLP-AWEZNQCLSA-N 315.348 2.690 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)C[C@@H](C)CN2CCCC2)on1 91635718 HLODHXXJEDRPGT-CQSZACIVSA-N 307.438 2.677 0 50 DFAA Cc1noc(C(C)C)c1C(=O)N1C[C@H](CO)c2ccccc21 293910472 MHDYBEGLSTULHW-GFCCVEGCSA-N 300.358 2.843 0 50 DFAA 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302.403 2.667 0 50 DFAA COCCc1nc(Cc2cccs2)nn1-c1cccnc1 670453959 XYSZWQNKGAKFJN-UHFFFAOYSA-N 300.387 2.504 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@H](C)Cc2ccsc2)nc(N)n1 952989060 GYKMBGZUFPNNLB-LLVKDONJSA-N 318.446 2.680 0 50 DFAA O=C(C[C@H](c1ccc(O)cc1)C1CC1)NC[C@H]1CCCOC1 408521244 NJDBVLGTQMGYES-DYVFJYSZSA-N 303.402 2.819 0 50 DFAA O=C(NC1(C2=CSC3=NCCN23)CCCCC1)C(F)(F)F 408524446 UPAQSKUXNFIILN-UHFFFAOYSA-N 319.352 2.628 0 50 DFAA Cc1nc(C)c(CNC(=O)c2cc(O)nc(C(C)C)c2)s1 271807662 QYJDHMBZHLDVKJ-UHFFFAOYSA-N 305.403 2.914 0 50 DFAA O=C(Nc1ccc(-c2ccco2)cc1F)N1CC[C@H](CO)C1 279821572 YGAMQBUXTUQQLB-NSHDSACASA-N 304.321 2.932 0 50 DFAA C[C@@H](c1nc(-c2cccc(NS(C)(=O)=O)c2)no1)C1CC1 273734843 NEDPUTIGSBQOTG-SECBINFHSA-N 307.375 2.622 0 50 DFAA COc1ccc(OC)c(CNc2ncn(-c3ccccc3)n2)c1 170607155 XQJUZDDXBMOEKU-UHFFFAOYSA-N 310.357 2.897 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(C(=O)O)co1 191672029 ZSIYXENKXBSJCU-STQMWFEESA-N 309.362 2.644 0 50 DFAA CN(C)c1nc(CNC(=O)[C@@H]2CCc3ccccc3C2)cs1 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2.650 0 50 DFAA Cc1c(N[C@@H]2CCC[C@@H]2[C@H]2CCCN2)cnn1C1CCOCC1 333794841 GUIKQCSSBXGHOC-BRWVUGGUSA-N 318.465 2.876 0 50 DFAA CN(Cc1c[nH]nc1-c1ccc(F)cc1F)Cc1nccn1C 72426832 VUJKWAGJXHURTJ-UHFFFAOYSA-N 317.343 2.720 0 50 DFAA C[C@H]1CCOCCN1C(=O)Nc1ccccc1N1CCCC1 378518946 MJRCHOCXUNCVOO-AWEZNQCLSA-N 303.406 2.930 0 50 DFAA CC(C)[C@H](CNCc1cn(C(C)(C)C)nn1)c1cccnc1 240900767 ITRSSXYZOZSIRK-INIZCTEOSA-N 301.438 2.958 0 50 DFAA CC(C)C[C@H](O)C1CCN(Cc2ccc(N(C)C)nc2)CC1 77428167 PQVGSDQLQDSVMJ-KRWDZBQOSA-N 305.466 2.767 0 50 DFAA CCOc1cc(Cl)ccc1NC(=O)NCCCC(=O)OC 241837541 SKYUTNSFFBPWOO-UHFFFAOYSA-N 314.769 2.813 0 50 DFAA C[C@H]1CCN(C(=O)CCCc2cc(F)ccc2F)[C@@H](C)[C@H]1N 457366084 UUQSEDSWXFIZQX-PRXAMGSTSA-N 310.388 2.872 0 50 DFAA Cc1nn2c(nnc3c(=O)n(C(C)C)ccc32)c1-c1ccccc1 40390864 RUQUHIOSHDOCCC-UHFFFAOYSA-N 319.368 2.996 0 50 DFAA O=C(Cc1cccc(C(=O)O)c1)NC1(Cc2ccccc2)CC1 263533476 NMDWBCMWCGJEBT-UHFFFAOYSA-N 309.365 2.819 0 50 DFAA CN(C)c1ccc(-c2nccn2[C@@H](CO)Cc2ccccc2)cn1 82128048 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0 50 DFAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(O)c1)C2 91951645 ZCPRXGZXXYRZPT-NVXWUHKLSA-N 314.429 2.895 0 50 DFAA Cc1sc2nc(CNC(=O)[C@H]3CCCCCN3C)cn2c1C 91644116 JEDFRESCGGADSQ-CQSZACIVSA-N 320.462 2.503 0 50 DFAA COc1cccc(/C(C)=C/C(=O)N2CCC[C@H]([C@H](C)N)C2)c1 237351716 BTHGNVVGGPTDRR-HUUYWPLNSA-N 302.418 2.684 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)Nc2cccc(N(C)C)c2)C1 96136364 ZXQAABUFUIDFNG-AWEZNQCLSA-N 316.449 2.843 0 50 DFAA Cc1ncncc1C(=O)N[C@@H](c1ccccc1)c1ccncc1 97679896 PCMAFUMNXIWCPV-KRWDZBQOSA-N 304.353 2.699 0 50 DFAA CCc1nnc(CNC(=O)c2ccc3ccn(C)c3c2)s1 95526296 PXALLEYQNOHCPI-UHFFFAOYSA-N 300.387 2.522 0 50 DFAA Cc1ccc(NC(=O)CN2CC[C@@H](N3CCCCC3)C2)cc1F 341141787 FUTKEKAIWOEECT-MRXNPFEDSA-N 319.424 2.633 0 50 DFAA CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245231294 BHUWYHGAMQJNGC-JQVOGXOBSA-N 309.365 2.643 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)CCn1cnc2ccccc21 244564002 CKZOLSFZCAMAQQ-UHFFFAOYSA-N 311.433 2.941 0 50 DFAA C=Cc1ccc(S(=O)(=O)Nc2nnc(CCCC)o2)cc1 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Cc1cc(=O)oc2ccc(OCCCC(=O)N3CCCC3)cc12 5678819 XMPOHDOTLJXQKH-UHFFFAOYSA-N 315.369 2.883 0 50 DFAA CCCC(=O)Nc1ccc(Br)cc1C(=O)OC 5524536 SSMXFHUKPWQNHF-UHFFFAOYSA-N 300.152 2.974 0 50 DFAA CCc1cccc(C)c1NC(=O)c1nnn(-c2ccccc2)c1N 11690536 YFBOFCVIKACRLW-UHFFFAOYSA-N 321.384 2.973 0 50 DFAA CCSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C 12123111 DPMKZZORRGPPIN-VIFPVBQESA-N 308.382 2.557 0 50 DFAA O=C(CCn1cccn1)N[C@H]1CCCN(C2CCCCCC2)C1 12191893 KQNAMVWUKANJCD-INIZCTEOSA-N 318.465 2.577 0 50 DFAA CC(=O)N1CCCN(Cc2nc(-c3cccs3)oc2C)CC1 12372987 IGPUNJVFKSOYTL-UHFFFAOYSA-N 319.430 2.766 0 50 DFAA CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2CCCO2)s1 13327135 PQWLLUVTHWIRHH-GFCCVEGCSA-N 311.403 2.995 0 50 DFAA Cc1ccc(OCCN(C)C[C@@H]2CCC(=O)N(C)C2)c(Cl)c1 1857685978 CQXPOKGNOFDVHV-AWEZNQCLSA-N 324.852 2.827 0 50 DFAA CC[C@@H](C)NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 1857677949 GKQMKELORXWELG-CYBMUJFWSA-N 312.417 2.761 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C)c(F)c1 404888890 WKDBIPYVBSSFNR-UHFFFAOYSA-N 322.405 2.997 0 50 DFAA C[C@@H](NC(=O)N[C@H]1CSc2ccccc21)c1cnn(C)c1 408513027 LLGJHSSVJPOTHY-MFKMUULPSA-N 302.403 2.627 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3F)C2)n1 331573655 MHZWLGPFCSJPIZ-GFCCVEGCSA-N 321.327 2.605 0 50 DFAA Cc1cc(C)c(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)o1 643890008 RQBCBFMTNBJJCN-CQSZACIVSA-N 314.389 2.730 0 50 DFAA c1ccc(-n2ncc3c2CN(c2ncnc4[nH]ccc24)C3)cc1 338831274 CBASRZNHOYQBTQ-UHFFFAOYSA-N 302.341 2.664 0 50 DFAA O=C(O)CC1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 262461457 QUXNOWGWHOZYDH-UHFFFAOYSA-N 304.321 2.634 0 50 DFAA Cn1nc(C(F)(F)F)cc1-c1cnc(C2CCOCC2)o1 904786840 CTWLUUIHOVLBDB-UHFFFAOYSA-N 301.268 2.988 0 50 DFAA CCN(C(=O)c1nn(C)c(C)c1Cl)c1cccc(C(=O)O)c1 910967566 ORHHZNIFHAZWFB-UHFFFAOYSA-N 321.764 2.747 0 50 DFAA Cc1cn2nc(N[C@@H]3CCN(CC4CC(F)(F)C4)C3)ccc2n1 852081906 VUOKFOAAARHHPG-CYBMUJFWSA-N 321.375 2.569 0 50 DFAA COC[C@H](NC(=O)c1ccc(-c2ccccc2CN)cc1)C1CC1 1875287791 ZPOUNRHQKPHCSV-IBGZPJMESA-N 324.424 2.967 0 50 DFAA Cc1ccccc1[C@H](C)NC(=O)[C@H](N)Cc1n[nH]c2ccccc12 1875294223 NKKTWWPJNBHJKH-XJKSGUPXSA-N 322.412 2.619 0 50 DFAA Cc1nc([C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C2CC2)n[nH]1 1775987495 ILQDYSZMXHLCHT-JKSUJKDBSA-N 310.401 2.687 0 50 DFAA Cc1ccnc(C(C)C)c1NC(=O)N1C[C@H](C)O[C@@H](CCO)C1 2325794606 JZGNCDKGZXDTMU-KBPBESRZSA-N 321.421 2.517 0 50 DFAA CC[C@@H](C)CC(=O)C(=O)N[C@H](C)CCc1ccc(O)c(OC)c1 2325813746 BBALEHFNFZMRNO-CHWSQXEVSA-N 321.417 2.843 0 50 DFAA Cc1cc(NC(=O)CCSCC(=O)Nc2ccccc2)no1 225691749 NVWOLEMICKCCMC-UHFFFAOYSA-N 319.386 2.684 0 50 DFAA COc1cccc(-c2noc(CCC(=O)NC3CCCC3)n2)c1 2215848 AYPARIJVPCWKHE-UHFFFAOYSA-N 315.373 2.737 0 50 DFAA O=C(Cc1cccc2ccccc12)N1CCC[C@]12CCCNC2=O 2356147924 YWIHUCZVIVMHDS-FQEVSTJZSA-N 322.408 2.654 0 50 DFAA CCc1noc(C)c1C(=O)N1CCC(OC(F)(F)F)CC1 2356161878 NMHVGOPGGOXYIF-UHFFFAOYSA-N 306.284 2.686 0 50 DFAA CCCOc1ccc(CC(=O)NCc2ccco2)cc1OC 2887746 AEAZQGFADFBAIE-UHFFFAOYSA-N 303.358 2.936 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1 4141122 WZQJAJDSWMWITL-HNNXBMFYSA-N 302.374 2.966 0 50 DFAA CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 4414374 SHFQBVGISRIZLE-UHFFFAOYSA-N 323.352 2.852 0 50 DFAA COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)C(C)C 4842861 WISTZFCQXZWINH-UHFFFAOYSA-N 313.357 2.937 0 50 DFAA COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OC 6556076 KRJPWSDKKBLTLE-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic O=S(=O)(Cc1ccc(F)cc1)NCCCc1ccccc1 10110362 BXSIGGFSHUVNLW-UHFFFAOYSA-N 307.390 2.878 0 50 DFAA O=C(NC[C@@H]1C[C@]12CCc1ccccc12)NO[C@H]1CCCCO1 225389391 HSQISFMLKCXBNQ-QILLFSRXSA-N 316.401 2.648 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCCCCO 225665189 ZDUPNHPGCQFRLV-UHFFFAOYSA-N 302.374 2.809 0 50 DFAA CCOC(=O)CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 9259172 DFHIUKSOCSKZFQ-UHFFFAOYSA-N 320.389 2.953 0 50 DFAA CCCOc1cccc(OCCCCN2CCN(C)CC2)c1 20639586 YUCXOHQJAKRYMX-UHFFFAOYSA-N 306.450 2.882 0 50 DFAA CCCOc1cccc2c(N3CCCO[C@H](CN)C3)ccnc12 420275361 FWHDKOHGPOSTAE-CQSZACIVSA-N 315.417 2.578 0 50 DFAA Cc1nn(C)c(Cl)c1CN(C)Cc1noc(CC(C)C)n1 65394311 VBIVWYKVDDHHNR-UHFFFAOYSA-N 311.817 2.595 0 50 DFAA c1ccc([C@@H]2CCCN(c3ncnc4c3CCNC4)CC2)cc1 67786892 BAVKMPFJHVXLLW-MRXNPFEDSA-N 308.429 2.896 0 50 DFAA COc1csc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 250378181 JTGMRIPHCPWFJV-WCQGTBRESA-N 309.387 2.615 0 50 DFAA O=C(CCn1cnc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 67894125 AIKBDODGPCVTPP-CQSZACIVSA-N 323.400 2.556 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F 20251852 DNNFBVBEQORSGT-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA Cc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 28290976 LCICITLMEQFCAY-IBGZPJMESA-N 324.424 2.798 0 50 DFAA CC(C)(C)c1cc(Cl)ccc1OCCOCCNCCN 20118695 BWZLXNYSTWGWFO-UHFFFAOYSA-N 314.857 2.581 0 50 DFAA COc1cc(Cc2nc(CC(C)C)n[nH]2)cc(OC)c1OC 65372761 CKKPQQAADVIGPX-UHFFFAOYSA-N 305.378 2.620 0 50 DFAA Cc1ccc(OC[C@@H](C)Nc2nc(C)nc3c2cnn3C)cc1 67384000 ZAUARRXSSKIQMZ-GFCCVEGCSA-N 311.389 2.860 0 50 DFAA CSc1cccc(NC(=O)C2(n3cnnn3)CCCCC2)c1 36358085 FXUMFIZDDFBMTP-UHFFFAOYSA-N 317.418 2.693 0 50 DFAA O=C(O)COn1c(-c2ccccc2)nc2ccc(Cl)cc21 2508519 KWURJTBVNPJIGP-UHFFFAOYSA-N 302.717 2.870 0 50 DFAA O=C1c2ccncc2C(=O)N1c1cccc(Br)c1 4717390 LVOLKPWSJMGHNH-UHFFFAOYSA-N 303.115 2.645 0 50 DFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCS[C@H]2CCCC[C@H]21 253429774 IIVRKJFTLHMONZ-OAGGEKHMSA-N 324.490 2.568 0 50 DFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2ncc(Cl)cn2)cn1 328640565 XMEADHCPIVGQIR-QWHCGFSZSA-N 307.785 2.679 0 50 DFAA CC(C)[C@]1(CO)CCN(Cc2nc(-c3ccccc3)no2)C1 368055711 PENKXWHANXANCV-QGZVFWFLSA-N 301.390 2.577 0 50 DFAA Cc1nc2c(C(=O)N3Cc4ccccc4OC[C@H]3C)ccnc2[nH]1 369065741 PSPMZZCVVWGLAU-LLVKDONJSA-N 322.368 2.690 0 50 DFAA COC[C@H]1CCCN(C(=O)NCc2cccc(OC)c2)CC1 454363450 OHALTEMPTANCAW-AWEZNQCLSA-N 306.406 2.653 0 50 DFAA Cc1ccnc(NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)c1 333132758 JTMFNCAAVPCINI-UHFFFAOYSA-N 314.433 2.665 0 50 DFAA CSCc1noc(CN2CCCC[C@H]2CCn2cccn2)n1 77285959 XTDCKAMXDDDUSC-ZDUSSCGKSA-N 321.450 2.574 0 50 DFAA CCc1cc(CN(Cc2ccncc2)C2CCN(C)CC2)on1 77321739 FZSFJMPLQGFSSP-UHFFFAOYSA-N 314.433 2.728 0 50 DFAA CCn1ccc2c(CN3CCO[C@@H](CCOC)C3)cccc21 215476738 GSZRZUHVYQUOKR-INIZCTEOSA-N 302.418 2.899 0 50 DFAA C[S@@](=O)c1ccc(CN2CCOc3cccc(F)c3C2)cc1 338966408 VOPOXOGJCUQQSI-JOCHJYFZSA-N 319.401 2.958 0 50 DFAA COc1ccc([C@H](NC(=O)CC2=CCCC2)[C@H]2C[C@@H](O)C2)cn1 219196557 XXNXTKMWFUMIIB-MPGHIAIKSA-N 316.401 2.519 0 50 DFAA COc1ccc(C2(C(=O)N3CC(c4ccncc4)C3)CC2)cc1 72147335 AFISHXBGTWARLN-UHFFFAOYSA-N 308.381 2.748 0 50 DFAA FC(F)(F)[C@@H]1CCC[C@H](NCCn2cnnc2C2CC2)C1 129978102 UQRLJWDEFSNRJJ-NEPJUHHUSA-N 302.344 2.866 0 50 DFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccnc1Cl 241630910 PMIUXZUZSJTYLS-NTZNESFSSA-N 324.808 2.833 0 50 DFAA Cc1cccnc1N1CCN(c2noc(-c3ccccc3)n2)CC1 77486763 FEWAGCRWDJPFJI-UHFFFAOYSA-N 321.384 2.767 0 50 DFAA Cc1ccc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)cc1F 178072075 OQDNXQUYQHOXRB-UHFFFAOYSA-N 319.357 2.716 0 50 DFAA O=C(c1c[nH]c(=O)[nH]1)N1CCCCC[C@@H]1c1cccc(F)c1 222798319 INOWKMGEMJCZBU-CQSZACIVSA-N 303.337 2.600 0 50 DFAA COc1cccc(CCC(=O)N2CCCC[C@H](N(C)C)C2)c1 82099097 QOPIMAUWEVGOCZ-INIZCTEOSA-N 304.434 2.571 0 50 DFAA O=S1(=O)CC[C@H](n2nc(-c3ccccc3)nc2C2CCC2)C1 91973667 OEVUCUAZYNYXPK-AWEZNQCLSA-N 317.414 2.572 0 50 DFAA CC[C@H](NC(=O)c1cnc(C2CC2)nc1O)c1ccc(C)cn1 426562992 AOUPKHYIINVLMU-ZDUSSCGKSA-N 312.373 2.644 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(Cl)cc2O)C1 95357309 SEZBHYZBYUSKOA-LLVKDONJSA-N 308.809 2.744 0 50 DFAA CC1(C)COCCN1C(=O)c1ccc(Cl)c(Cl)c1O 179467306 JXLLSUVFFWGQMK-UHFFFAOYSA-N 304.173 2.950 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@H]1CCOC1 252502642 USGDWENMTQZLAW-NSHDSACASA-N 306.793 2.825 0 50 DFAA CC(C)(C)c1noc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)n1 299744380 SELQUAFSLJWFTF-WOPDTQHZSA-N 307.394 2.585 0 50 DFAA Cc1ccc2c(c1)c(C(=O)NCCCOC1CCCC1)nn2C 299755811 FDNSSNZXTUICAE-UHFFFAOYSA-N 315.417 2.961 0 50 DFAA COc1ccc(C)c(NC(=O)N2CCN(CCSC)CC2)c1 299782200 SEHCNAUKKUGIEA-UHFFFAOYSA-N 323.462 2.516 0 50 DFAA Cc1n[nH]c(C2CC2)c1C(=O)NC1CCN(c2ccccc2)CC1 299759692 QKZWAKDMXWFEJM-UHFFFAOYSA-N 324.428 2.994 0 50 DFAA CN(C(=O)NCc1cc(C2CC2)on1)C1Cc2ccccc2C1 584902335 HUVFIHFSERULJS-UHFFFAOYSA-N 311.385 2.861 0 50 DFAA CC(C)[C@H]1NC(=O)N(Cc2cscc2Br)C1=O 585137131 JRELFAKUAWMWAU-SECBINFHSA-N 317.208 2.587 0 50 DFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@@H]1CCCOC1 952984449 VYRGVMRUIDZOGC-ZDUSSCGKSA-N 315.373 2.512 0 50 DFAA Cc1ocnc1C(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 952983171 OHUUFHISOULAIO-LBPRGKRZSA-N 318.377 2.584 0 50 DFAA CC1=C(C(=O)N2CC=C(c3ccc(F)cc3)CC2)OCCO1 952978673 RKBDWZYOLGCVSG-UHFFFAOYSA-N 303.333 2.720 0 50 DFAA FC(F)(F)c1cnc([C@@H]2CCCN(Cc3csnn3)C2)[nH]1 278647099 JKGVDPQFNOBXKE-MRVPVSSYSA-N 317.340 2.660 0 50 DFAA CCOC[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)C1 408522181 FDOHTXHUZGGEJV-CYBMUJFWSA-N 300.358 2.840 0 50 DFAA C[C@@](O)(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC1 270012161 FTVPTCDWYGFIIA-DOTOQJQBSA-N 323.820 2.791 0 50 DFAA COc1cc(C(=O)Nc2cnc3onc(C)c3c2)ccc1F 170038872 ROQDZGPSAYEKLQ-UHFFFAOYSA-N 301.277 2.931 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CCCC3(CCOCC3)C2)c1 634691441 HDDKTUWDSVIGOG-MRXNPFEDSA-N 319.401 2.714 0 50 DFAA CC(C)(C)OC(=O)N1Cc2ccc(CN[C@H]3CCOC3)cc2C1 189578582 KQCYIZHSCORHRH-INIZCTEOSA-N 318.417 2.816 0 50 DFAA Cc1ccc(C(=O)N2CCC(Cn3cncn3)CC2)c(Cl)c1 191312756 WTRBTXSTSYCRBH-UHFFFAOYSA-N 318.808 2.792 0 50 DFAA CC1CCN(C[C@@H](O)CN2CCc3cc(Cl)ccc3C2)CC1 192240158 TXRTWBRMTKPQTE-GOSISDBHSA-N 322.880 2.791 0 50 DFAA COC(=O)[C@H](CNC(=O)c1cccs1)c1ccc(F)cc1 192761436 IYSFMRDJIZXMMI-GFCCVEGCSA-N 307.346 2.574 0 50 DFAA CC(=O)NC(C)(C)c1noc([C@@H]2C[C@@H]2c2ccc(F)cc2F)n1 193202972 ZHTKSYSMTJTVBS-VXGBXAGGSA-N 321.327 2.990 0 50 DFAA O=C(O)c1cnc(-c2ccccc2)nc1/C=C/c1csnn1 193405110 HSMWTSXIMAGQLA-VOTSOKGWSA-N 310.338 2.864 0 50 DFAA NCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 1649107358 DFFUAHJGMYZDCX-UHFFFAOYSA-N 312.388 2.958 0 50 DFAA CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 469936 CHEPIYWIJYHOPN-UHFFFAOYSA-N 324.265 2.931 0 50 DFAA COc1ccc2c(c1)CCOC21CCN(C[C@H]2CCOC2)CC1 1704338827 GWGDXSQXECHSHE-OAHLLOKOSA-N 317.429 2.596 0 50 DFAA O=C(Nc1ccc(F)cc1F)N1CCN(Cc2ccco2)CC1 5041466 QUIXOZCNJFDRFD-UHFFFAOYSA-N 321.327 2.908 0 50 DFAA COC1CCN(C(=O)c2cc(COc3ccccc3)on2)CC1 12457813 PHTZGBSYTRYXEH-UHFFFAOYSA-N 316.357 2.505 0 50 DFAA CCCN1CCN(C(=O)[C@@H](CC)Oc2ccc(C)cc2)CC1 13745235 ALCKQVCKQXBZLJ-QGZVFWFLSA-N 304.434 2.707 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(-c3cccc(Cl)c3)n2CC1 601043965 LAWIYSYIVVCUKX-SNVBAGLBSA-N 305.765 2.724 0 50 DFAA C[C@@H](C(=O)NCCc1cccc(C(=O)O)c1)c1cccs1 225553448 RHVLJSBIUMRKAO-LLVKDONJSA-N 303.383 2.909 0 50 DFAA Cc1ccc(C(=O)CSc2nc3c(c(=O)[nH]2)CCCC3)cc1 8844231 DPRDYCPYCHPGFD-UHFFFAOYSA-N 314.410 2.932 0 50 DFAA CC(C)c1noc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)n1 248203804 YHILWDMHSPKEBG-CVEARBPZSA-N 318.465 2.889 0 50 DFAA Cc1c[nH]ccc1=NS(=O)(=O)c1cc(F)ccc1OC(C)C 903604719 HATDTIOIUCHRNP-UHFFFAOYSA-N 324.377 2.539 0 50 DFAA CC1(C(=O)O)CN(C(=O)Cc2coc3cc(Cl)ccc23)C1 910059751 JXCBMICGENZATB-UHFFFAOYSA-N 307.733 2.562 0 50 DFAA CC(=O)NC1CCC(NCC[C@@H]2OCCc3ccccc32)CC1 927115859 NKVZYPJHZJEQTE-TVPLGVNVSA-N 316.445 2.727 0 50 DFAA CCO[C@@H](CCNC(=O)N1CCC(=O)[C@H](C)C1)C1CCCC1 864094112 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302.378 2.589 0 50 DFAA Cc1cccc([C@H](Nc2ncc(F)c(N(C)C)n2)C2CC2)n1 95366649 HHDWMRVCEXUYCS-CQSZACIVSA-N 301.369 2.948 0 50 DFAA CCn1nc(CCOC)nc1[C@H](C)Oc1ccc(F)cc1F 96149077 XSRYGKNDKYVAFC-JTQLQIEISA-N 311.332 2.905 0 50 DFAA CN(Cc1nccs1)C(=O)[C@H]1CCCN(Cc2ccco2)C1 95353317 FYSBKRHZNBZMBG-ZDUSSCGKSA-N 319.430 2.607 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 237529127 KQVFMMGTZOUBEO-CYBMUJFWSA-N 317.263 2.522 0 50 DFAA O=C1NCCCc2[nH]c(-c3cc(C(F)(F)F)ccc3F)nc21 95365853 NWZMRNCXFDIZRU-UHFFFAOYSA-N 313.254 2.911 0 50 DFAA Cn1ccnc1C1CCN(C(=O)c2cnc3c(c2)CCCC3)CC1 97733037 IVDACBHMUAZGCD-UHFFFAOYSA-N 324.428 2.714 0 50 DFAA Cc1noc(-c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)n1 263619460 YTCFDOPOMNRYFQ-CYBMUJFWSA-N 300.293 2.652 0 50 DFAA O=C(CCc1cccc(O)c1)NC[C@H]1CCN(C2CCCC2)C1 299787274 VSBKJTZGZJMHOV-MRXNPFEDSA-N 316.445 2.706 0 50 DFAA Cc1c(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)ccn1C 299797487 NDKQZFSSEVRVQP-HNNXBMFYSA-N 303.450 2.860 0 50 DFAA Cc1nc(O)c(Cl)c(NC[C@@H]2Cc3ccccc3CN2C)n1 823806202 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C=Cc1cccc(CN2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)c1 1529158676 IOGPDWRQSMFKNP-MJGOQNOKSA-N 314.429 2.701 0 50 DFAA Cc1cc(C)c(-n2cccn2)c(CN2CCC[C@@H]2C2(O)CC2)c1 1772803904 ACTWCGUXMKMKSA-QGZVFWFLSA-N 311.429 2.978 0 50 DFAA CC(C)CN(Cc1cnc(C(=O)O)cn1)Cc1cccs1 1772704784 HPDRXCHIFOVKQF-UHFFFAOYSA-N 305.403 2.895 0 50 DFAA CN(C)[C@@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 1772702022 OJFYCQUMMJPLIH-CYBMUJFWSA-N 315.373 2.570 0 50 DFAA CCCN1CCN(C(=O)c2ccccc2Br)CC1 16603530 TZBRCTPRNKEHPH-UHFFFAOYSA-N 311.223 2.617 0 50 DFAA Cc1cccc(Cl)c1-c1nccn1C[C@H]1CN(C)CCO1 1857675260 PUPIOJZZAKXOFC-CYBMUJFWSA-N 305.809 2.843 0 50 DFAA COc1ccc(CNC(=O)c2c[nH]c(=O)c3ccccc23)cc1C 225538791 FWGBZSCGZZAWOY-UHFFFAOYSA-N 322.364 2.775 0 50 DFAA OCCSc1nnc(-c2ccccc2F)n1Cc1ccco1 122744201 CCMAZPPIQAWXHT-UHFFFAOYSA-N 319.361 2.810 0 50 DFAA O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2ccon2)C1 122850377 IFUZOAWSRRYLCW-NSHDSACASA-N 320.780 2.574 0 50 DFAA O=C(O)CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 238162017 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312.344 2.905 0 50 DFAA C[C@@H](C(=O)NCC(=O)Cc1ccc(Br)cc1)C1CC1 408516521 BMESXOMMTAWPMU-SNVBAGLBSA-N 324.218 2.723 0 50 DFAA CCOC[C@@H]1CCN(C(=O)c2c(F)cccc2-n2cccn2)C1 408522420 IRFPIMHIFZDGJP-CYBMUJFWSA-N 317.364 2.510 0 50 DFAA CCN1CC[C@@H](NCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 221888570 WVHQVHABHLBNEB-GOEBONIOSA-N 306.450 2.566 0 50 DFAA COc1cccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1F 272022167 NEFDZEAAVFGDOT-UHTWSYAYSA-N 321.348 2.692 0 50 DFAA Cc1cc(NC(=O)/C=C/c2cncc(F)c2)ccc1C(=O)O 170591070 AAIXIAZCTDGXHV-GORDUTHDSA-N 300.289 2.879 0 50 DFAA COc1ccc(NC(=O)c2ccc(Cn3ccnn3)cc2)cc1 170599463 AUDRIIDRECDAHQ-UHFFFAOYSA-N 308.341 2.587 0 50 DFAA COCCN1CCC(CNc2ncnc3c(F)cccc23)CC1 170606591 IVXAQTDXMTUGKJ-UHFFFAOYSA-N 318.396 2.539 0 50 DFAA CNc1cc(N2CCC[C@H]2CN[C@@H]2CCC23CCCC3)ncn1 189161752 TYQVBMGKTODCOF-LSDHHAIUSA-N 315.465 2.800 0 50 DFAA Cc1cc(CNc2cc(C3CC3)ncn2)cc(N2CCCC2)n1 641601027 BMCQFTVYSDBOOG-UHFFFAOYSA-N 309.417 3.270 0 50 DFAA CO[C@@H]1CN(C(=O)NC2CCC(OC(C)C)CC2)CC[C@@H]1C 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DFAA CN(CCn1cnc2ccccc21)C(=O)c1ccc2c(c1)CCO2 1857673146 MYCIVMNZZJZUDA-UHFFFAOYSA-N 321.380 2.743 0 50 DFAA COc1cccc2c1OC[C@H](Cn1ccnc1-c1cncnc1)C2 1857728249 UCISZTPKGWJBCB-ZDUSSCGKSA-N 322.368 2.600 0 50 DFAA CCCO[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)CC1 236902660 YFJJTEVMWOIDDA-HNNXBMFYSA-N 305.374 2.806 0 50 DFAA C[C@@H](NC(=O)N1CC[C@@H](C2CCOCC2)C1)c1cccc(O)c1 339101442 DDEWJLZZRJPQHW-CZUORRHYSA-N 318.417 2.911 0 50 DFAA C[C@@H](Cc1ccc(Cl)cc1)N(Cc1nccn1C)C[C@@H](C)O 252507672 WRDWLCGARPQSDM-UONOGXRCSA-N 321.852 2.888 0 50 DFAA CC(C)Oc1ccccc1CCNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 253376819 VBNNFJTUGKGORW-CABCVRRESA-N 319.401 2.633 0 50 DFAA CCc1nc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)co1 821818436 GUQFRQQVFZXAGX-KRWDZBQOSA-N 300.358 2.559 0 50 DFAA Fc1nccnc1N1CCC(Oc2ccc(Cl)cn2)CC1 858568688 PBOFBOIBZGZKGV-UHFFFAOYSA-N 308.744 2.712 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(F)cc2)C1 1875360882 LDGZWOPGXHKXRA-INIZCTEOSA-N 314.316 2.966 0 50 DFAA C=CC(=O)NCCCN(C)C(=O)/C(C)=C/c1ccc(F)c(F)c1 1875389387 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CCCc1nc(CN(CC)C(=O)c2ccc3[nH]cnc3c2)no1 55120604 VADAXDCDXYWTFT-UHFFFAOYSA-N 313.361 2.561 0 50 DFAA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccncc1 63848080 GCUZMHQGWYIRBN-UHFFFAOYSA-N 306.369 2.748 0 50 DFAA CCOc1ccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)cc1 68071150 FCKCYFQHOSMCID-UHFFFAOYSA-N 312.369 2.905 0 50 DFAA CN(C(=O)CCCN1CCOCC1)[C@@H]1CCCc2ccccc21 67956320 URLLONAYOKVQEM-GOSISDBHSA-N 316.445 2.635 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc2c1OCO2 249693070 NNAZCPAYBQNHCJ-LSDHHAIUSA-N 316.401 2.504 0 50 DFAA O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccoc1 140107568 IGOXNSNEJJNIKT-ZDUSSCGKSA-N 304.415 2.983 0 50 DFAA Nc1c(F)cc(Cl)cc1C(=O)N[C@H]1CCO[C@H](C2CC2)C1 253408064 UPDNSTSGPKISOE-GWCFXTLKSA-N 312.772 2.749 0 50 DFAA O=C(NCCF)N[C@@H]1C[C@H]1c1ccc(Br)cc1 280659927 KYQNOPCBNTZMRE-WDEREUQCSA-N 301.159 2.574 0 50 DFAA COc1ccc(Sc2cc3c(cc2N)n(C)c(=O)n3C)cc1 67640786 DJXPKVDNEPTFRQ-UHFFFAOYSA-N 315.398 2.619 0 50 DFAA C[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](Cn2cncn2)C1 229499475 IVGRXQYHFUNSOK-HNAYVOBHSA-N 322.412 2.893 0 50 DFAA O=C(OC1C[C@@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 2688 UKTAZPQNNNJVKR-AKJUYKBHSA-N 324.380 2.519 0 50 DFAA biogenic,fda COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C 2763158 AYJAZOLGYRVNRQ-UHFFFAOYSA-N 313.279 2.858 0 50 DFAA CCOc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)o1 218815116 IIARQDQLWIWTEX-UHFFFAOYSA-N 316.357 2.757 0 50 DFAA CCc1cc(=O)oc2cc(OC[C@@H](O)C(F)(F)F)ccc12 158403935 QIWWORZDZCZQKW-GFCCVEGCSA-N 302.248 2.657 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](Cn3cnc4ccccc43)C2)on1 373468064 WEOMYOUQHWVPEA-CQSZACIVSA-N 324.384 2.885 0 50 DFAA Cn1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c2ccccc21 262398700 HCDWKDSHMWJAPF-CQSZACIVSA-N 312.369 2.505 0 50 DFAA CNC(=O)CN(C)Cc1nc(-c2ccc3ccccc3c2)oc1C 71712179 XLEUOEWNQLYNBH-UHFFFAOYSA-N 323.396 2.981 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CC[C@H]1CCCCO1 237646981 XFRRXGVLSYQYOC-ZBFHGGJFSA-N 319.401 2.976 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](C(=O)O)c2ccccc21 262850796 WWQUEXNLZBNZSB-GFCCVEGCSA-N 312.325 2.689 0 50 DFAA C[C@H](OC[C@H](O)CNC[C@H]1CCCO1)c1ccc(Cl)cc1 241171015 KDOQIASTJZFSMJ-APHBMKBZSA-N 313.825 2.547 0 50 DFAA O=C(c1ccc(N2CCCCC2)cc1)N1[C@H]2CC[C@H]1CC(O)C2 174253069 HJAJULKIMQARKY-IRXDYDNUSA-N 314.429 2.805 0 50 DFAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc(F)cc2Cl)C1 284637513 UETJIMXASYOQRY-YPMHNXCESA-N 310.760 2.559 0 50 DFAA CCCn1ccnc1CNC(=O)Cc1ccc(F)cc1Cl 222338705 BXUKYNJDQFBRCD-UHFFFAOYSA-N 309.772 2.945 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(CCCN(C)C)CC1 132399514 WHGLJYAQHAWKGP-ZDUSSCGKSA-N 320.481 2.710 0 50 DFAA Cc1ncsc1CNC(=O)N[C@@H]1c2ccccc2O[C@@H]1C 341268306 DRULBRQPPLEYKB-YGRLFVJLSA-N 303.387 2.773 0 50 DFAA COc1cc(F)ccc1CNC(=O)CC[C@@H](C)N1CCCC1 426470861 ONHORHQGBGKCEB-CYBMUJFWSA-N 308.397 2.715 0 50 DFAA OCc1ccc(C[C@@H]2CCN(Cc3cccc4nonc34)C2)cc1 91526218 FKPWGBXEUUKHBG-INIZCTEOSA-N 323.396 2.780 0 50 DFAA CCc1nccn1CCCNc1ncnc2nc(C)cc(C)c12 95387105 IFXMDBSKXRRENK-UHFFFAOYSA-N 310.405 2.903 0 50 DFAA CCc1nnc(CN(C)C(=O)NCc2c(F)ccc(C)c2F)o1 426707300 YGCGELHGUZTFGU-UHFFFAOYSA-N 324.331 2.560 0 50 DFAA Cc1cccc2cc(C(=O)NCc3cnc4cnccn34)oc12 426566763 AHJXWTIROUWNIH-UHFFFAOYSA-N 306.325 2.714 0 50 DFAA CCCc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)[nH]n1 91907827 OHWMIYKCNAPPLZ-UHFFFAOYSA-N 309.373 2.578 0 50 DFAA CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 239402552 QUAVWZJBASPHIB-KLHDSHLOSA-N 307.349 2.591 0 50 DFAA O=C(CC(F)(F)F)N1CCC[C@H](c2nccn2CC2CC2)C1 95526685 RRCNHRYFXOYTQK-LBPRGKRZSA-N 315.339 2.952 0 50 DFAA CC[C@@H](NC(=O)c1ccc(Cn2cccc2)cc1)[C@H]1C[C@H](O)C1 244724559 MWHIQTLFISDYSD-KZNAEPCWSA-N 312.413 2.816 0 50 DFAA CCn1ccc(CN2CCC([C@H](O)Cc3ccccc3)CC2)n1 244691970 JMBXZQKUODGKEV-LJQANCHMSA-N 313.445 2.719 0 50 DFAA CO[C@@H]1Cc2ccccc2N(C(=O)c2cnc(C3CC3)nc2)C1 296274565 OPHIZWNHGKDPMZ-OAHLLOKOSA-N 309.369 2.572 0 50 DFAA Cc1nn(C[C@H](C)NCc2cccc(CO)c2)c(C)c1Cl 534590278 HMZKWFOPNSYTIG-NSHDSACASA-N 307.825 2.824 0 50 DFAA CCn1cc(C(=O)N2CCOc3ccc(Cl)cc3C2)cn1 584899636 FLURYBMAKBDJCW-UHFFFAOYSA-N 305.765 2.591 0 50 DFAA CC(=O)Nc1ccc2nc(CN3CCOC(C)(C)C3)ccc2c1 670447703 PFFKBMOIGWWRDC-UHFFFAOYSA-N 313.401 2.804 0 50 DFAA CC(C)CN1C[C@@H](c2nc(-c3c[nH]c4ccccc34)n[nH]2)CC1=O 670468909 LDZQRIKOHDDKSC-LBPRGKRZSA-N 323.400 2.925 0 50 DFAA O=C1CC[C@@H](N2CCC(CCc3ccccc3)CC2)CCN1 670445977 ZPTNFIPXIJPBDP-GOSISDBHSA-N 300.446 3.000 0 50 DFAA CC1(C)CC2(CCC(NCC[C@]3(O)CCCOC3)CC2)CO1 1414097563 YGTXNAHKXFLHQL-VMWRSERWSA-N 311.466 2.636 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)CO1 1363045380 SCNUHGUTRIOALJ-ZNMIVQPWSA-N 317.433 2.736 0 50 DFAA C[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@]1(O)C1CC1 1565529312 QFMFPWWIFBXEFH-HNAYVOBHSA-N 300.446 2.748 0 50 DFAA CC[C@H]1[C@H](NC(=O)CCc2ccccc2OC)[C@H]2CCO[C@@H]12 1565513975 PTPCFGXRVDOOEZ-DACLVMHWSA-N 303.402 2.558 0 50 DFAA CC[C@H]1[C@@H](CO)CCN1C(=O)c1oc(Br)cc1C 408465775 KWJLXLMFTCMWJL-ZJUUUORDSA-N 316.195 2.584 0 50 DFAA CCOc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1OC 268802288 BLJJLEYWXAWJJH-CQSZACIVSA-N 301.390 2.984 0 50 DFAA Fc1ccc2c(c1)CCC[C@@H]2NCCn1cnnc1C1CC1 170064083 LYTGDVJNCNDFEG-INIZCTEOSA-N 300.381 2.962 0 50 DFAA c1cc2c(o1)CCC[C@@H]2NCc1ccc(N2CCOCC2)nc1 278163453 BUADEJYSBRUVHZ-INIZCTEOSA-N 313.401 2.678 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)cc1 139292 QFKFKEHEANZRMH-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA COc1ccc(CN2CCC[C@@H](N(C)C)CC2)c(OC)c1OC 277473653 MFOZOYWQVOYNQX-OAHLLOKOSA-N 322.449 2.629 0 50 DFAA CCc1cc(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)n(C)n1 636128861 XFVFPOCBBBJQEH-GFCCVEGCSA-N 315.392 2.924 0 50 DFAA COc1ccc([C@@H]2CCCN2C(=O)NCC2CCOCC2)cc1 194809134 RWCKGDODRWIGHW-KRWDZBQOSA-N 318.417 2.968 0 50 DFAA Cc1cnc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)o1 195263124 SSAWQMXEIKDFIB-CQSZACIVSA-N 320.462 2.702 0 50 DFAA CC(C)(NC(=O)c1nccc2ccsc12)[C@H](O)C(F)(F)F 1615547614 KBMSENHILSYBCN-NSHDSACASA-N 318.320 2.728 0 50 DFAA CC[C@@H](Oc1ccccc1C)c1nnc([C@@H]2CC(=O)N(C)C2)o1 1616025811 XQYPFUAMSLSPNK-CHWSQXEVSA-N 315.373 2.854 0 50 DFAA O=C(Cc1ccc2n[nH]cc2c1)OC[C@H]1CCC2(CCC2)CO1 1647383506 NSNCMEVLCFWUOA-OAHLLOKOSA-N 314.385 2.998 0 50 DFAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1ccn(CC)c(=O)c1 1529173062 LSTRSRCQCZODIF-GFCCVEGCSA-N 302.378 2.596 0 50 DFAA CC(C)Nc1cc(N2CCC(c3ccnc(O)c3)CC2)ncn1 1772816109 IKZOANKJKANZGT-UHFFFAOYSA-N 313.405 2.782 0 50 DFAA Cc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 168193280 IMDFZIJZZVRMEW-YDMUCJKGSA-N 301.386 2.919 0 50 DFAA COc1cnc(C)cc1C(=O)N[C@H](C)c1cn2ccsc2n1 1857676439 HEDRJPAUUDSKBV-SNVBAGLBSA-N 316.386 2.599 0 50 DFAA CN(CCn1cc(Cl)cn1)CCn1cnc2ccccc21 1857690810 MLGUTGFRNNKWQU-UHFFFAOYSA-N 303.797 2.518 0 50 DFAA CO[C@H]1COCC[C@@H]1CNc1cnc2cc(Cl)ccc2n1 624249966 CDLKECQJSXEAJP-YGRLFVJLSA-N 307.781 2.747 0 50 DFAA CN1CC[C@@H](CNCc2cnn3ccccc23)[C@@H]1c1cccnc1 328654389 XIXSBMBOYFJALA-LPHOPBHVSA-N 321.428 2.512 0 50 DFAA Cc1cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)c(C)o1 678946902 RMIGBXGAVCKPGC-HNNXBMFYSA-N 306.387 2.721 0 50 DFAA O=C(Nc1ccnnc1)NC1(c2c(F)cccc2F)CCC1 585123680 LPIZIPJERKIORS-UHFFFAOYSA-N 304.300 2.956 0 50 DFAA COCc1cc(CS(=O)(=O)c2ccc(F)cc2Cl)no1 1875282331 XWIUSFLHSLTTDY-UHFFFAOYSA-N 319.741 2.587 0 50 DFAA Cc1nc2c(s1)CN(C(=O)C[C@@](C)(O)c1ccccc1)CC2 1875319558 HRHGMJOXKXDHND-QGZVFWFLSA-N 316.426 2.634 0 50 DFAA COc1ccccc1O[C@@H]1CCCN(c2cccc3nncn23)C1 893842715 URZRPMHTHYSZAG-CQSZACIVSA-N 324.384 2.786 0 50 DFAA COc1cc2c(cc1-c1nc(N(C)C)nc(C)c1C)OCO2 2100548274 XHJQAGFPORKJME-UHFFFAOYSA-N 301.346 2.564 0 50 DFAA Cn1c(N[C@@H]2C3C[C@H]4[C@@H](C3)C42CO)nc2ccc(Cl)cc21 2325809795 NIWYLWAPZYXIOD-JLTJYGDCSA-N 303.793 2.656 0 50 DFAA CCCOC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)o1 2377246 WUBKFDXKTFGWGQ-UHFFFAOYSA-N 321.402 2.848 0 50 DFAA O=C(NCc1cccnc1)c1c(F)c(F)c(F)c(F)c1F 2754628 XKBWKSXIKDPKIQ-UHFFFAOYSA-N 302.202 2.707 0 50 DFAA C[C@@]1(C(=O)N=c2[nH][nH]cc2-c2ccc(F)cc2)CCCCO1 2356167991 LFNHDKQNJHDHAB-INIZCTEOSA-N 303.337 2.535 0 50 DFAA O=C(CSc1nnc2sc3ccccc3n12)N1CCCC1 4188727 MQRJVHRGUWZVKM-UHFFFAOYSA-N 318.427 2.659 0 50 DFAA C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 4520250 XVLCLMUDRXFEFJ-OLZOCXBDSA-N 320.820 2.951 0 50 DFAA CCOc1ccccc1C(=O)Nc1ccc(C(=O)O)c(O)c1 6704120 QNUDQSBNMWOUBM-UHFFFAOYSA-N 301.298 2.741 0 50 DFAA CCc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1 8261758 MRICHWIJLYOVCL-HOCLYGCPSA-N 314.429 2.860 0 50 DFAA CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC 8722962 CTPRWLWXSZYTEY-INIZCTEOSA-N 312.369 2.842 0 50 DFAA CC[C@H]1CN(CCCCC2CCOCC2)C[C@@]2(CCOC2)O1 225629387 JAGPXAFKKYMNQE-ZWKOTPCHSA-N 311.466 2.853 0 50 DFAA CN(C)[C@H]1CCN(C(=O)CCSCc2ccc(F)cc2)C1 55341210 XWHUHLPJIHVPMG-HNNXBMFYSA-N 310.438 2.612 0 50 DFAA O=S1(=O)CCN(CC[C@@H](c2ccccc2)c2ccco2)CC1 20166169 YOYJTWUPDCVBQT-INIZCTEOSA-N 319.426 2.532 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc3nc(S)oc3c2)CC(C)(C)O1 118780429 FBVAXNKFNWGBKS-SECBINFHSA-N 306.387 2.756 0 50 DFAA CC(=O)Nc1cccc(C(=O)N(C)CC[C@H](C)N2CCCC2)c1 67843081 NFAJTOMDMAALOX-AWEZNQCLSA-N 317.433 2.591 0 50 DFAA CCn1ncnc1CN1CCC(c2cc(C(C)C)[nH]n2)CC1 67587202 NTUZXPIJTJFEJC-UHFFFAOYSA-N 302.426 2.524 0 50 DFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 229352755 FQBSWYQFSUKGNR-MCIONIFRSA-N 322.792 2.530 0 50 DFAA Cn1ccc2c(C(=O)N3CCC[C@H](c4cn[nH]c4)C3)cccc21 119783850 UHVRBMJEUMQQEV-ZDUSSCGKSA-N 308.385 2.921 0 50 DFAA O=C(N1CCOCC1)N1CCCC[C@H]1CCc1cccc(O)c1 72144902 PGONVDNALHMATI-INIZCTEOSA-N 318.417 2.632 0 50 DFAA Cc1ccc(O)c(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 281825449 RLIMKSALPKPXKD-ZBFHGGJFSA-N 302.349 2.543 0 50 DFAA CCC1(CC)[C@H](NC(=O)c2c(C)cc(C)nc2O)[C@H](C)[C@H]1OC 253534471 KBSJNXCFXGOQAC-NWANDNLSSA-N 320.433 2.974 0 50 DFAA Cc1nc(CCN(C)C(=O)c2ccn(Cc3ccccc3)c2)no1 356720671 FMMWETLUISYKIX-UHFFFAOYSA-N 324.384 2.543 0 50 DFAA CC[C@H](C)Oc1cc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ccn1 122480102 CYSSYWIUDDQXJE-MAZHCROVSA-N 318.417 2.946 0 50 DFAA O=C(c1c[nH]nc1C1CC1)N1CCC[C@H](NCc2ccccc2)C1 364484784 ZVDPGYZNJZVOBT-INIZCTEOSA-N 324.428 2.682 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3cccnc3O)cc2)c1C 360951699 RNWQGNVPQLCQMH-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA Cc1cc(CO)oc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 368549851 GWOAMHILYQZKQX-ZDUSSCGKSA-N 307.390 2.692 0 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Cc1cc(C)nc(SCC(=O)N2CCc3c(F)cccc32)n1 184291662 HYGJRQRMNLNIBH-UHFFFAOYSA-N 317.389 2.914 0 50 DFAA CCN1CCC(NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 534670846 UUOPSDMXHATCIM-HNNXBMFYSA-N 305.441 2.726 0 50 DFAA Cc1c(CNC(=O)Cc2csc(CN)n2)oc2ccccc12 1340713434 WMCUMSNSZWWYCC-UHFFFAOYSA-N 315.398 2.515 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCCCn2ccnc2C(C)C)n1 952984077 NNHIRZCKWOTZDQ-HNNXBMFYSA-N 303.454 2.888 0 50 DFAA COc1cc([C@H](C)N2C(=O)[C@H]3CCCCN3C2=O)ccc1F 170068339 YSTBMCDFVQZKOW-GXFFZTMASA-N 306.337 2.712 0 50 DFAA COc1cccc(F)c1[C@H](C)NC(=O)C1CCC(C(=O)O)CC1 194422845 PWGNKJGYGHKZTO-UNXYVOJBSA-N 323.364 2.903 0 50 DFAA c1cc(-n2nccc2CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccn1 668179840 DRSFRFYPYRHWDY-MSOLQXFVSA-N 324.428 2.801 0 50 DFAA C[C@H](c1nncn1C)N1CCC[C@@H](Cn2cnc3ccccc32)C1 585117913 BFJWHJSGYYTIFZ-HUUCEWRRSA-N 324.432 2.638 0 50 DFAA CCC(CC)[C@@H]1C[C@@H](NC(=O)NCC2CSC2)CCO1 585137800 UJAFUWNEVRZUHK-KBPBESRZSA-N 300.468 2.632 0 50 DFAA Cn1c(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc2ccccc21 585118069 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Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C(N)=O)nc2)c1 118997429 LNTKOYAISBTPEU-MRXNPFEDSA-N 324.384 2.858 0 50 DFAA Cc1nc(COc2ccc(NC(=O)[C@H]3CC3(C)C)cc2)no1 122490005 KYQUUBCAYPDHAK-CYBMUJFWSA-N 301.346 2.942 0 50 DFAA CCCc1nc(-c2noc([C@H]3CC(=O)N(C(C)(C)C)C3)n2)co1 350389864 KUTRJRWERDOOPX-JTQLQIEISA-N 318.377 2.792 0 50 DFAA Cc1cccc(-c2cccc(C(=O)N3CCCNC(=O)C3)c2)c1 906516026 ZSIYTMPMTQEIAU-UHFFFAOYSA-N 308.381 2.624 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCn2ccnc21 931525407 DGSAGZFQJDELQM-LLVKDONJSA-N 304.781 2.692 0 50 DFAA COc1cc([C@@H]2C[C@H]2c2ccccc2)cc(S(N)(=O)=O)c1 952879982 TWXQYMMBQRHYHM-HOTGVXAUSA-N 303.383 2.614 0 50 DFAA Cc1cnccc1[C@@H](C)NC1CCN(C(=O)c2ccoc2)CC1 1875285561 QVMHGROLBZEIJV-CQSZACIVSA-N 313.401 2.938 0 50 DFAA NCc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2F)o1 1875277885 LSDVSYNSSHURCY-LBPRGKRZSA-N 320.339 2.864 0 50 DFAA Cc1ccc(O[C@H]2CCN(c3nnccc3C(F)(F)F)C2)nc1 1875286971 PCNHXBSYJZQHNL-NSHDSACASA-N 324.306 2.857 0 50 DFAA COc1nscc1[C@H](C)NCc1ccc2cnn(C)c2c1 1875285179 FXEOMOXKUBDRGM-JTQLQIEISA-N 302.403 2.889 0 50 DFAA Cn1cc(C[N@]2C[C@@H]2COc2ccc(-c3ccncc3)cc2)cn1 1875384338 FKTGLTXBINZPCU-WZONZLPQSA-N 320.396 2.745 0 50 DFAA C[C@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccsc2[C@H]1C 882190023 ZHCQDVKFRAKIFC-WDEREUQCSA-N 318.398 2.605 0 50 DFAA COCC1(c2noc([C@H](C)n3ccc(C(F)(F)F)n3)n2)CC1 897055178 ODOCSIYIEDQBNF-QMMMGPOBSA-N 316.283 2.572 0 50 DFAA CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)O 426386255 CXPGWYQTTKPVFZ-VIFPVBQESA-N 309.671 2.952 0 50 DFAA Cc1cnc(CCCC(=O)N2C[C@H](CCN)c3ccccc32)o1 2325795113 GFTJOAQSFKUVQO-AWEZNQCLSA-N 313.401 2.785 0 50 DFAA Cc1cc(O)c(C2=NCCS[C@@H](c3ccccn3)C2)c(=O)o1 187474 HDIZXGJIYPVAGN-CQSZACIVSA-N 316.382 2.716 0 50 DFAA CC(=O)Nc1ccc(-c2n[nH]c(Nc3nc(C)cc(C)n3)n2)cc1 544902 UUDOKGIPSBENDW-UHFFFAOYSA-N 323.360 2.581 0 50 DFAA COc1ccc(NC(=S)NCc2ccncc2)c(OC)c1 611433 YTZDJESLKDOEIF-UHFFFAOYSA-N 303.387 2.585 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)cc1 613845 LORAZYWMEPWIRY-MRXNPFEDSA-N 319.719 2.892 0 50 DFAA Cc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 1834075 BXYCPOXKZDUWHS-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA O[C@@H](CNC[C@@H]1CCCO1)Cn1c2ccccc2c2ccccc21 2326760 JPUNTPUYBIWRFB-HOTGVXAUSA-N 324.424 2.924 0 50 DFAA COC(=O)Cc1cc(Br)c(O)c(Br)c1 2529170 OXEQAKXFKIZTCQ-UHFFFAOYSA-N 323.968 2.633 0 50 DFAA Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1NS(C)(=O)=O 10314830 JCTJZRPNGDKFIX-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA COC[C@H]1CCCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 112943982 NRYGDNZEWTXDGR-LBPRGKRZSA-N 319.430 2.945 0 50 DFAA c1ccc(CN2CCC[C@@H]3CN(c4cnccn4)CC[C@@H]32)cc1 133885138 GIFYVXWVIATAFK-MSOLQXFVSA-N 308.429 2.968 0 50 DFAA CC(C)N1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO 104402659 JCMPIWLFAZATLO-MRXNPFEDSA-N 302.418 2.710 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1 248090499 CCWINNWKLXKXFS-IAGOWNOFSA-N 316.420 2.943 0 50 DFAA CCCN1CC[C@@H](CNC(=O)N[C@H]2CCOc3ccccc32)C1 249733115 BWAOXLKDYTZITL-HOCLYGCPSA-N 317.433 2.541 0 50 DFAA O=C1CCN(Cc2ccc(-n3cncn3)cc2)c2ccccc2N1 356343422 CLOUPHAAGQUSOP-UHFFFAOYSA-N 319.368 2.616 0 50 DFAA CC(C)Oc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1 350875168 WYDQGOLKGSGKSB-UHFFFAOYSA-N 322.328 2.629 0 50 DFAA COc1c(F)cc(NC(=O)N2CCN(C)CC[C@H]2C)cc1F 252495000 OKJFXVFVWXRVRJ-SNVBAGLBSA-N 313.348 2.531 0 50 DFAA COc1c(F)cc(COc2ccc(OCCO)cc2)cc1F 252508713 XRLRNXANBLHDFO-UHFFFAOYSA-N 310.296 2.924 0 50 DFAA CCc1ccc(N2CCN(CC[C@@H]3CCCN3C)CC2)cc1 124733949 YBFLCLMWPSSVSW-SFHVURJKSA-N 301.478 2.855 0 50 DFAA COc1ccc(-n2ccnc2CN(C)C[C@H]2CCCCO2)cc1 215513185 XEUZEZYZHLVXFI-QGZVFWFLSA-N 315.417 2.882 0 50 DFAA CCCn1c(CNC[C@@H]2CCCN(C)C2)nc2ccccc21 121204032 XVKTUDLZSFDRCY-HNNXBMFYSA-N 300.450 2.878 0 50 DFAA CC(C)CN1CC[C@H](C(=O)N2CCCCC[C@H]2C[C@H](C)O)C1 253418032 GEVZIWRUEJEWAV-ULQDDVLXSA-N 310.482 2.506 0 50 DFAA CC[C@H](O)CN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 253417175 NPHVQZHBYSHOQP-MISXGVKJSA-N 303.324 2.584 0 50 DFAA CCc1ccc(CN(C)C(=O)CSc2ccncc2)nc1 218905238 IWHFLUZSGQHYDK-UHFFFAOYSA-N 301.415 2.790 0 50 DFAA Cc1ccc2nc(N(C)CC3(CO)CCOCC3)sc2c1 77486709 PKMPTVMLMJNWLG-UHFFFAOYSA-N 306.431 2.830 0 50 DFAA COCCN(Cc1c(F)ccc(OC)c1F)C[C@@H]1CCCO1 215809466 RIYBVSIXQJOLKP-LBPRGKRZSA-N 315.360 2.601 0 50 DFAA Cc1nnc(CN(C)Cc2ccc(CCC(C)(C)O)cc2)o1 72423674 AFNQDMDJCNFXSY-UHFFFAOYSA-N 303.406 2.714 0 50 DFAA Cc1cc(N(C)CCc2c(C)n[nH]c2C)n2nc(C)c(C)c2n1 72407861 QOOPOGOGOGETFJ-UHFFFAOYSA-N 312.421 2.673 0 50 DFAA O=C(Nc1cccc2c1OCCO2)N1CCC[C@@H]1[C@H]1CCCO1 375368069 RMXPRBUNFRSUAI-ZIAGYGMSSA-N 318.373 2.633 0 50 DFAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cccc(C)c2C)C1 286552952 XJIKQHNWURVRLL-IRXDYDNUSA-N 316.445 2.629 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)cn1 237980806 JVUBTNHFUKIYDU-LBPRGKRZSA-N 302.355 2.819 0 50 DFAA CC1CCC(=CC(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)CC1 286227618 CVBDHPUVHWRZMD-HJOYEKEDSA-N 303.406 2.503 0 50 DFAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1ccccn1)C1CC1 178524658 ZZZPAAITBVAMHN-UHFFFAOYSA-N 322.412 2.882 0 50 DFAA COCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(C)nc21 20605509 LTMSMWMCLLZUGV-UHFFFAOYSA-N 315.345 2.737 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)cn1 91725348 DUOPDWMOXOBOAO-DLBZAZTESA-N 324.380 2.639 0 50 DFAA C[C@@H]1CCCN(Cc2ccccc2CNCc2cncn2C)C1 237474702 BAUNCDIGCVRQCQ-MRXNPFEDSA-N 312.461 2.942 0 50 DFAA OC1(CN2CCN(c3ccncc3Cl)CC2)CCCCC1 162479457 RODKJGKMHFBIBA-UHFFFAOYSA-N 309.841 2.552 0 50 DFAA Cc1ccc(SCCCN(C)C(=O)CN2CCCC2=O)cc1 95531495 YIGUIASQXNJJHN-UHFFFAOYSA-N 320.458 2.558 0 50 DFAA CCc1csc(CNC(=O)[C@@H](C)n2ccnc2C(C)C)n1 95371153 YAECHBDFKLEELJ-LLVKDONJSA-N 306.435 2.903 0 50 DFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc(C)oc1C)C2 91794398 VCMKJCIJYKDHCN-ZDUSSCGKSA-N 315.369 2.886 0 50 DFAA CN1CCCCC[C@@H]1C(=O)N(CCO)Cc1ccccc1Cl 97475073 KDMJOYAWVHKIEA-MRXNPFEDSA-N 324.852 2.535 0 50 DFAA O=C(C[C@H]1CCOC1)N1CCC(Oc2cccc(F)c2)CC1 529626926 CWCGLRHZESXUBZ-CYBMUJFWSA-N 307.365 2.622 0 50 DFAA Cc1cccc(C)c1CC(=O)N1CCCc2c(C(N)=O)cccc21 182960545 HYHNWXJMHUBBGM-UHFFFAOYSA-N 322.408 2.924 0 50 DFAA Cc1cc(S(=O)(=O)Nc2noc(C3CC3)n2)cc(C)c1F 183403619 LOCGJVLRXZZSCD-UHFFFAOYSA-N 311.338 2.504 0 50 DFAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCCc1ccc(OC)cc1 1074584790 IZXKKTXGHHFEIG-ISARSNTHSA-N 317.429 2.948 0 50 DFAA COc1ccc2oc(CN[C@H](C)CCn3cccn3)nc2c1 534575260 YCQMSEOMUAOHLY-GFCCVEGCSA-N 300.362 2.601 0 50 DFAA CCn1cc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(C)n1 299792072 DAIAFOWIGWOSEN-UHFFFAOYSA-N 324.388 2.719 0 50 DFAA CC(=O)c1c(C)nn(CC(=O)NCCC2=CCCCC2)c1C 827864422 MWKATEUWXWCUCP-UHFFFAOYSA-N 303.406 2.709 0 50 DFAA c1coc(CN2CCC(N[C@@H]3COc4ccccc4C3)CC2)c1 670450636 WQDQPYFWVHROCI-KRWDZBQOSA-N 312.413 2.837 0 50 DFAA Cc1cc(CNc2ccc(CN3CCOCC3)cn2)cc(C)n1 1414090076 JHPUGMNGXKLSFL-UHFFFAOYSA-N 312.417 2.538 0 50 DFAA Cc1cc(C(=O)N2CCCN(c3ccncc3C)CC2)cc(C)n1 952990175 KXYDKAVBYHLGJK-UHFFFAOYSA-N 324.428 2.754 0 50 DFAA CCc1noc(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 408261530 QEZBZCOCIPBCGI-BPLDGKMQSA-N 306.406 2.701 0 50 DFAA C[C@H](CC(=O)Nc1cccc(CO)n1)c1ccc(F)cc1F 170088547 RPOJMKYBBDGSLV-SNVBAGLBSA-N 306.312 2.984 0 50 DFAA Cc1nc(C)c(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 246059891 BCNAIMLASQAXKQ-TZMCWYRMSA-N 316.492 2.548 0 50 DFAA COC[C@]1(C)CC(=O)N(CN(C)C2C3CC4CC(C3)CC2C4)C1 170650406 UZBULNAARBPRHJ-JGQSZJPNSA-N 320.477 2.585 0 50 DFAA Cn1c(NCc2cc(C(N)=O)cs2)nc2cc(Cl)ccc21 167766788 GRHRTDOGGVCSRU-UHFFFAOYSA-N 320.805 2.999 0 50 DFAA CC1(C)C[C@]1(C(=O)NCCCn1ccnc1)c1ccc(F)cc1 91270304 MBTXJGAIMKPLBE-GOSISDBHSA-N 315.392 2.896 0 50 DFAA in-vitro COCc1nocc1C(=O)N1CCc2cc(F)ccc2[C@@H]1C 585085527 XUYMVESDBSVZLH-JTQLQIEISA-N 304.321 2.720 0 50 DFAA CCOc1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)cc1OC 188638997 ZEPCAWWVHLSESJ-OCCSQVGLSA-N 307.390 2.525 0 50 DFAA Cn1nccc1-c1ccc(N2CCC[C@H]2c2cccnc2)nn1 641268360 IIJIFZFBZRNNSP-HNNXBMFYSA-N 306.373 2.614 0 50 DFAA CCc1cnccc1[C@@H](C)NC(=O)N1CC[C@@H](n2cccn2)C1 643414846 ZHSNVZNVGHQTQL-UKRRQHHQSA-N 313.405 2.558 0 50 DFAA O=C(c1ncc(F)cc1F)N1CCCCC[C@@H]1c1ncon1 192207962 DQBYOSXKKFFKAM-LLVKDONJSA-N 308.288 2.500 0 50 DFAA COc1cccc2c1CC[C@H](NCCc1nc(C(C)C)no1)C2 192445361 UVBDCLKHZQBLCL-AWEZNQCLSA-N 315.417 2.891 0 50 DFAA Cc1csc2ncnc(NCc3nnc(C(C)C)n3C)c12 665710525 JYEMFLRUJFZGHK-UHFFFAOYSA-N 302.407 2.864 0 50 DFAA Cc1cc2ccc(C(=O)N[C@@H](C)[C@H](O)Cc3ccccc3)cn2c1 673031409 BDABGLBXXDRHEO-HNAYVOBHSA-N 322.408 2.970 0 50 DFAA Cc1nnc2n[nH]c(NC(=O)Cc3cccc(Cl)c3)c2c1C 673456804 BHWCWMFGTQWVDG-UHFFFAOYSA-N 315.764 2.804 0 50 DFAA CC(C)CCn1c(CN2C[C@H](O)[C@@H](F)C2)nc2ccccc21 1616122990 JPBGNUYGFCANHN-BBRMVZONSA-N 305.397 2.597 0 50 DFAA CCCC[C@@H]1C=CCN1C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 1506400970 LTEFDRGWQPNKJW-CQSZACIVSA-N 311.385 2.736 0 50 DFAA O=C1[C@@H]2CCCCN2C(=O)N1c1ccccc1Br 225559029 AAXACVZYOYBPDT-NSHDSACASA-N 309.163 2.770 0 50 DFAA Cc1nc(C)c(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)s1 1800410008 MYNYJLMPANLXLK-INIZCTEOSA-N 316.430 2.603 0 50 DFAA Cc1csc(C(=O)N2CCC[C@@H](C)S2(=O)=O)c1Cl 1875285322 JZQNJIKMADJDDO-MRVPVSSYSA-N 307.824 2.664 0 50 DFAA CC(C)(C)c1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 5015472 OVRUXSCPHSSOBG-UHFFFAOYSA-N 316.386 2.922 0 50 DFAA COc1cc(C=O)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 5064245 UCPCDIOINZGODM-TZMCWYRMSA-N 305.374 2.581 0 50 DFAA CC(C)(C)OC(=O)CCCCSc1ncnc2nc[nH]c12 5349683 KLQKANQDBIPTIO-UHFFFAOYSA-N 308.407 2.957 0 50 DFAA CCCN(CCC)C(=O)c1ccc(NC(=O)CCC(=O)O)cc1 12138724 QLPRCSGDZKJSNX-UHFFFAOYSA-N 320.389 2.752 0 50 DFAA O=C(COc1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 12585475 UZYLVZYNVUXUOB-GOSISDBHSA-N 311.381 2.536 0 50 DFAA COc1ccc([C@@H]2NC(S)=NC3=C2N2CCC3CC2)cc1 13687853 XXELOQLZKYLESI-ZDUSSCGKSA-N 301.415 2.563 0 50 DFAA CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 16580741 OWOCSXVXYVESHJ-OAHLLOKOSA-N 304.434 2.741 0 50 DFAA O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cc1 16848201 BFUWLZNXKOUWJR-UHFFFAOYSA-N 305.717 2.841 0 50 DFAA OCCOc1ccccc1-c1nccn1[C@@H]1CCC[C@H](CO)C1 1857706210 KRGVQTYCORIYHM-LSDHHAIUSA-N 316.401 2.645 0 50 DFAA Cc1[nH]c2ccc(C(=O)N3CC[C@](C)(C(=O)O)C3)cc2c1C 237726686 PWQRWCQHIIDDIF-KRWDZBQOSA-N 300.358 2.722 0 50 DFAA CCOc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100274867 RXPRTPLKUKKLMV-AZHAFVHUSA-N 301.342 2.547 0 50 DFAA Cc1nc([C@H]2CCCCN2C(=O)Cc2cccc(F)c2F)n[nH]1 408469697 KYERFBIUPMQZDY-CYBMUJFWSA-N 320.343 2.688 0 50 DFAA CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)c1ccc(-n2ccnc2)cc1 230092112 FQOCGKCEYOAICD-ARFHVFGLSA-N 312.369 2.843 0 50 DFAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1cc(Cl)ccc1O)[C@@H]1C[C@@H]31 239173585 OFHLMVJQLYKWLM-XQLQCCRHSA-N 315.756 2.603 0 50 DFAA CC[C@](NC(=O)c1ccc(F)cc1)(C(=O)O)c1ccccc1 362339654 MBKVWUPTVTZKNL-QGZVFWFLSA-N 301.317 2.946 0 50 DFAA O=C(Nc1ccc(F)cc1F)c1cccc(-n2ccnn2)c1 157834920 OUJVFPNCXDMXGE-UHFFFAOYSA-N 300.268 2.798 0 50 DFAA O=C(O)CC1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 263225653 CDOBVPQFMPSCJG-INIZCTEOSA-N 317.385 2.517 0 50 DFAA O=C(NCCC1SCCS1)N[C@@H](C1CC1)C(F)(F)F 852343939 GGSGOZQGVJKHCD-VIFPVBQESA-N 314.398 2.823 0 50 DFAA NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)[C@H](O)CCCC3)cc1 855553921 OXXXQEZLRXRYCD-QGZVFWFLSA-N 324.380 2.798 0 50 DFAA Cn1ccnc1C1(O)CCN([C@@H]2CCc3ccc(F)cc32)CC1 952881326 LIBIHQBXGQTQLS-MRXNPFEDSA-N 315.392 2.530 0 50 DFAA C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)NC(c1ccco1)=NO2 1875392331 WAMTYKPWOMWNOE-KGLIPLIRSA-N 303.406 2.932 0 50 DFAA O=C(N[C@@H]1CCCC2(C1)N=N2)c1cnn(-c2ccccc2F)c1 1875396591 OBBUBVPFEHFJLL-GFCCVEGCSA-N 313.336 2.846 0 50 DFAA CCc1cc(N2CCC3(CC[C@@H]3N)CC2)nc(-c2ccncc2)n1 1875316005 QJVXABLURSMHLB-INIZCTEOSA-N 323.444 2.809 0 50 DFAA Cn1nc(C(=O)N[C@H](c2ccncc2)C2CC2)cc1C(F)F 890922489 AQTBMRCLNMGDGZ-ZDUSSCGKSA-N 306.316 2.634 0 50 DFAA C[C@]1(c2cccnc2)OC(=O)N(CCc2ccccc2)[C@]1(C)O 4709118 ACFVCYZIRGWJBP-QZTJIDSGSA-N 312.369 2.700 0 50 DFAA Cc1c(C2CCOCC2)noc1NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 2325793928 LUCGLRNNMNYFNF-WUWHUORYSA-N 322.405 2.875 0 50 DFAA N[C@@H]1Cc2ccc(C(=O)NCC[C@H]3CCc4ccccc43)cc2C1 2325796014 MAXJXGGQVIFZPX-DNVCBOLYSA-N 320.436 2.962 0 50 DFAA CC1(C)C[C@](C)(C(=O)NCc2ccccc2N2CCCC2)CN1 2325809156 KWBLDJMJGBSZST-IBGZPJMESA-N 315.461 2.681 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3C[C@@H](N)C34CCC4)cc2)c1C 2325840812 RRGJUJXFQYSWHA-IAGOWNOFSA-N 324.428 2.945 0 50 DFAA CCOC(=O)CCSc1nnc2c3ccccc3n(C)c2n1 797136 DYLIEQZZVZBQEU-UHFFFAOYSA-N 316.386 2.562 0 50 DFAA S=C(NCc1ccco1)N1CCN(C2CCCCC2)CC1 4750565 PFLWPCDQKTZGGC-UHFFFAOYSA-N 307.463 2.604 0 50 DFAA Cc1cccnc1OC1CCN(CCc2cncs2)CC1 411647879 ZBCPYYPFKMJHSC-UHFFFAOYSA-N 303.431 2.932 0 50 DFAA COc1cccc(CN2CCC[C@H](N3CCCC3=O)CC2)c1 412043485 WLBAIKGKLROTPJ-INIZCTEOSA-N 302.418 2.672 0 50 DFAA O=C(Cc1ccccc1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100641727 FIOPMBNBJLVGJI-GBESFXJTSA-N 310.441 2.586 0 50 DFAA O=C1[C@H]2CCCCN2C(=O)N1[C@H](c1ccccc1)c1ccccn1 225554729 DQCGRKJNUZGYFU-IAGOWNOFSA-N 321.380 2.988 0 50 DFAA O=C(NC[C@@H]1COCCO1)c1ccccc1Oc1ccccc1 54619339 RFHXXINBYIIVPO-OAHLLOKOSA-N 313.353 2.624 0 50 DFAA C[C@H]1CCN(C(=O)c2ccc3nn[nH]c3n2)CC12CCCCC2 416202824 KHPFEBILLZVCDG-LBPRGKRZSA-N 313.405 2.785 0 50 DFAA CC[C@H](NC(=O)Nc1cccn(CC)c1=O)c1c(C)noc1C 417241888 SMQSKUHFFJXGGE-LBPRGKRZSA-N 318.377 2.746 0 50 DFAA CCOC(=O)/C(=C/Nc1ccc2nc(C)sc2c1)C(=O)OC 102265418 RCTNUTWESZMXOE-DHZHZOJOSA-N 320.370 2.637 0 50 DFAA O=C(c1ccncc1Cl)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348259586 MDBRWBNRKXAIAN-DOMZBBRYSA-N 320.751 2.822 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cc(C#N)c[nH]1 328616446 BSCKTROSIWZWDC-GFCCVEGCSA-N 314.414 2.843 0 50 DFAA CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc(Cl)nc1 65371830 JBISUSYSAQXUEQ-UHFFFAOYSA-N 324.833 2.771 0 50 DFAA Cc1noc(C)c1CNC1CCN(C(=O)c2cccs2)CC1 67772949 YEATUPXFMHQQNV-UHFFFAOYSA-N 319.430 2.747 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2cnc3ccccn23)c1C 20167156 QLKDGYBREAPQTE-UHFFFAOYSA-N 324.384 2.754 0 50 DFAA COc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1 171790191 GKFMCISAHYWIQS-OLZOCXBDSA-N 305.374 2.545 0 50 DFAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCC[C@@H]1c1cccs1 229506093 YYPCDLFCLXCLOA-MGPQQGTHSA-N 316.426 2.794 0 50 DFAA Cc1cc(C(=O)NCc2c(F)cccc2Cl)c(=O)n(C)c1C 215879723 LLHNTXOESKKTPB-UHFFFAOYSA-N 322.767 2.725 0 50 DFAA CCOC(=O)CC[C@H](C)NC(=O)c1ccc2nc(S)oc2c1 121401254 YQXULWHVZWJTPZ-VIFPVBQESA-N 322.386 2.578 0 50 DFAA FC(F)n1ccnc1Cn1nnc(-c2ccc(Cl)cc2)n1 328592508 CANZZVDHQFEJQS-UHFFFAOYSA-N 310.695 2.633 0 50 DFAA CN(Cc1ccc2c(c1)OCCO2)Cc1n[nH]c2c1CCCC2 215172928 JVPUOOLMAGGDTI-UHFFFAOYSA-N 313.401 2.692 0 50 DFAA CN(C)[C@H]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 215125068 DMTJQEVFANHAPT-INIZCTEOSA-N 316.836 2.933 0 50 DFAA COc1cccc(C2=CCN(C(=O)[C@@]3(C)CCCN=C3O)C2)c1 330303675 KANPDBLEZSYUFS-SFHVURJKSA-N 314.385 2.677 0 50 DFAA CC(C)c1nc(CCNC(=O)c2cn3c(n2)CCCC3)cs1 331569920 ZIOCEECHODNHJI-UHFFFAOYSA-N 318.446 2.772 0 50 DFAA C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC(CCCO)CC1 242155953 WURNTVQAHDIKIZ-HLLBOEOZSA-N 310.482 2.554 0 50 DFAA Cc1cccc([C@@H]2CCCN(Cc3cn(CCO)nc3C)C2)c1 215815788 VKSWHRBDOUBHGD-GOSISDBHSA-N 313.445 2.872 0 50 DFAA CCCc1cc(C(=O)NCc2sc(C)nc2CC)n(C)n1 77469908 BNPNCQQRFPEMPZ-UHFFFAOYSA-N 306.435 2.630 0 50 DFAA CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@@H]2CCc3nncn3C2)C1 333529288 XULQUNLETAIJML-HZPDHXFCSA-N 324.428 2.840 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H](F)C1 72432003 AVBXATGSTOTTGI-AWEZNQCLSA-N 301.365 2.602 0 50 DFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC(c2ccncc2)C1 72134603 TUYYBGLIVUPJKW-UHFFFAOYSA-N 304.353 2.711 0 50 DFAA CC(C)c1nnc(CN(C[C@@H]2CCCO2)C2CCCC2)n1C 173837768 STIMSEHDLIWNLB-HNNXBMFYSA-N 306.454 2.862 0 50 DFAA O=C1CC[C@H]2CN(C3CCCCCC3)CC[C@H]2N1CCCCO 72430490 ZOOVTDOYZJHBNE-FUHWJXTLSA-N 322.493 2.795 0 50 DFAA Cc1noc(C)c1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 173934308 NSKOUGMAQNYAML-LLVKDONJSA-N 310.357 2.968 0 50 DFAA O=C(Cc1ccsc1)N1CCCC[C@H]1CCn1ccnc1 77425895 XZOYQLINJJBJMW-HNNXBMFYSA-N 303.431 2.959 0 50 DFAA COc1cc(OC)c(N2C(=O)N(C)C3(CCCC3)C2=O)cc1F 286099321 RGHFLYLRYZLSSD-UHFFFAOYSA-N 322.336 2.554 0 50 DFAA CC(C)(C)c1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)o1 131831629 NDKKAIAOWVQWHK-UHFFFAOYSA-N 318.417 2.919 0 50 DFAA CCCCc1ccc(NC(=O)Nc2cnn(C)c2C(N)=O)cc1 17053295 CEZAMYGJBRKMPC-UHFFFAOYSA-N 315.377 2.506 0 50 DFAA COc1ccc(NC(=O)N(Cc2ccccn2)C2CC2)c(C)n1 178035189 UACANMTXGWPNLB-UHFFFAOYSA-N 312.373 2.990 0 50 DFAA Cn1cc(CNC(=O)N2CC[C@H](c3ccccc3Cl)C2)cn1 426406017 BMVNZGTYMRHLLC-ZDUSSCGKSA-N 318.808 2.773 0 50 DFAA CCc1cc(Cl)ccc1NC(=O)N1CCNC(=O)[C@H]1C(C)C 426371079 OBTIDAQBPHHCEH-CQSZACIVSA-N 323.824 2.891 0 50 DFAA O=C(NCc1cc(-c2ccccc2)on1)c1n[nH]c2c1CCCC2 96162884 NDCBBBRJEHOAOS-UHFFFAOYSA-N 322.368 2.874 0 50 DFAA C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@]1(O)C1CC1 92066821 YEPHRSZSCLJVOA-DIFFPNOSSA-N 305.443 2.860 0 50 DFAA Cc1ccc2nc([C@@H](C)NC(=O)c3cc(C)c(C)[nH]c3=O)[nH]c2c1 91468976 KODQBJGGMPXIMX-GFCCVEGCSA-N 324.384 2.667 0 50 DFAA C[C@H]1CCc2sc(C(=O)NCCc3cnccn3)cc2C1 91411628 NDWWJSPMVVIXHM-NSHDSACASA-N 301.415 2.635 0 50 DFAA CS(=O)(=O)c1ccc(C(F)(F)F)cc1Br 97743303 JSNFBVZXUNPLTN-UHFFFAOYSA-N 303.099 2.871 0 50 DFAA Cc1ccc(C2(O)CCN(c3nnc(C4CCC4)o3)CC2)nc1 95385012 DKEDTOMBNXQRNX-UHFFFAOYSA-N 314.389 2.529 0 50 DFAA O[C@H]1C[C@H]([C@@H](Cc2ccccn2)Nc2cnc3ccccc3n2)C1 244899751 ZPKUBPRSGGTWFR-DDUZABMNSA-N 320.396 2.819 0 50 DFAA O=C(COC[C@H]1CCCCO1)NCc1ccc2c(c1)CCCC2 244899481 ZKOOSWZJJYRTMQ-GOSISDBHSA-N 317.429 2.767 0 50 DFAA CC(C)(C)c1cc(Cn2c(=O)sc3ccccc3c2=O)no1 295354333 NZWHQWKTUDDCIM-UHFFFAOYSA-N 316.382 2.757 0 50 DFAA C[C@H](NC(=O)N1CCN(c2cccnc2)CC1)c1ccsc1 534635552 CZUKVJFBXPKBGH-ZDUSSCGKSA-N 316.430 2.736 0 50 DFAA CCN(CC)Cc1ccc(C(=O)OCCc2cnoc2)cc1 585136260 YHPABHCXRSQUJI-UHFFFAOYSA-N 302.374 2.916 0 50 DFAA Cc1nc(CC(=O)Nc2cc3c(cc2F)NC(=O)CC3)cs1 163205919 DXOVCFVWBPQWCZ-UHFFFAOYSA-N 319.361 2.657 0 50 DFAA O=C(CCc1c[nH]c2ccccc12)N1CCOc2cccnc21 408513083 DKDCBNHJHHSKML-UHFFFAOYSA-N 307.353 2.921 0 50 DFAA COCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCc2occc21 170088910 HDMCQUVOUGMZNY-STQMWFEESA-N 302.378 2.520 0 50 DFAA Cc1nnnn1-c1nc(C2CC2)nc2sc3c(c12)CCCC3 274006908 KJEBCUCJYMSVAM-UHFFFAOYSA-N 312.402 2.732 0 50 DFAA CNC(=O)c1cccc(CCN[C@H]2CCCc3ncccc32)c1 631583863 VCGJCLLBNQQUNN-SFHVURJKSA-N 309.413 2.651 0 50 DFAA CC[C@@]1(C)CN(C(=O)NCc2ccc(F)c(COC)c2)CCO1 188015669 RGPYIXUOMMFVFG-KRWDZBQOSA-N 324.396 2.683 0 50 DFAA Cc1nc2c(C(=O)N3C[C@H](C)OC4(CCC4)C3)cccc2o1 648638653 KGBKISXQBPOKHT-NSHDSACASA-N 300.358 2.920 0 50 DFAA COC[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 193688614 DLJHPNBBYZCZJQ-SNVBAGLBSA-N 307.781 2.837 0 50 DFAA C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1cccc(O)c1 194940239 AAZCUKYARGEOOH-ZIAGYGMSSA-N 323.396 2.841 0 50 DFAA CCN1CCC[C@@H](N[C@@H]2CCc3ncnn3C2)c2ccccc21 1616031723 QCUWJMNDWIDZGR-GDBMZVCRSA-N 311.433 2.544 0 50 DFAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCNC[C@@H]1F 1616039948 ZZUZIRLOQCANJL-ZWKOTPCHSA-N 312.388 2.712 0 50 DFAA COC(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)O)c1 1616035344 YAPYUQQLZLUEKL-SMDDNHRTSA-N 321.377 2.632 0 50 DFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)c1ccncc1 1506400705 GNFAHEVYVBGUQD-UHFFFAOYSA-N 306.325 2.805 0 50 DFAA C[C@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@]1(O)C1CCC1 213458830 FSBQQBZJNARQSL-IINYFYTJSA-N 315.339 2.873 0 50 DFAA Cc1ccc(-c2nnc(SCC(=O)N(C)C)n2C)cc1Cl 4843166 FBGLYGIAWSHBAO-UHFFFAOYSA-N 324.837 2.624 0 50 DFAA CCOC(=O)[C@H]1CCCN(Cc2ccc(Br)o2)C1 5326323 MQCCHAQUWNKQPN-JTQLQIEISA-N 316.195 2.817 0 50 DFAA CC(C)(C)C(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 5198101 JNOVBOHSWIHFKC-AWEZNQCLSA-N 304.390 2.580 0 50 DFAA CCCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(Cl)c21 18240365 JZEBJTVKBBFCLM-LLVKDONJSA-N 301.173 2.927 0 50 DFAA Cc1ccoc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 19595045 GMEGGWHSSAQGTL-UHFFFAOYSA-N 311.341 2.692 0 50 DFAA COc1cc(-c2nc3c([nH]2)c(C2CC2)nn3C)cc2c1OCO2 19842323 MXGVJGCTRKINSB-UHFFFAOYSA-N 312.329 2.578 0 50 DFAA O=Cc1c2c(cc3c1=Nc1ccc(O)cc1-3)=Nc1ccc(O)cc1-2 169725888 UIVBYDODYNAQRV-UHFFFAOYSA-N 314.300 2.774 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(C(C)=O)c1 1857672608 HVALXRQVMNNZON-HDMKZQKVSA-N 315.369 2.747 0 50 DFAA CN(CCn1cnc2ccccc21)C[C@@H]1COc2ccccc2O1 1857690731 QJZYZJVQVOMBCC-OAHLLOKOSA-N 323.396 2.808 0 50 DFAA O=C1C[C@@H](c2ccc(-c3ccc(=NC4CCCC4)[nH]n3)cc2)CN1 1875241542 XFDPZFJQYFYURZ-OAHLLOKOSA-N 322.412 2.524 0 50 DFAA CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCC=C(C)C1 614378278 DIJYCOOLFFKNLW-HUUCEWRRSA-N 303.406 2.549 0 50 DFAA CCN(CC)CC[C@H](C)OC(=O)[C@@H]1OCCc2ccccc21 3190311 MHORGFUSENCQGH-WMLDXEAASA-N 305.418 2.964 0 50 DFAA CCN1CCN(C(=O)CC2=CCCCC2)C[C@@H]1c1nccn1C 328630077 PMWYZXGGDRBUPH-MRXNPFEDSA-N 316.449 2.516 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2cccc3cc[nH]c23)cnn1C 328614237 ACMPELYTHCADMR-FUHWJXTLSA-N 310.401 2.830 0 50 DFAA CC[C@@H](NC(=O)NCC1(COC)CCC1)c1c(C)nn(C)c1C 252479963 BQVIZNHBNIUDLA-CQSZACIVSA-N 322.453 2.604 0 50 DFAA Cc1ccc(F)c(C(=O)N2CCC[C@H]2c2nc(N(C)C)no2)c1 253426496 QVHBDKLCCCLCKH-ZDUSSCGKSA-N 318.352 2.560 0 50 DFAA Cc1c(F)cccc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 263145533 HBUAJQKLHWBZKG-ZDUSSCGKSA-N 319.254 2.613 0 50 DFAA Cc1ccc([C@H](CNC(=O)C2(C)CCOCC2)N2CCCC2)o1 588649191 MODATZGTYHVEAA-HNNXBMFYSA-N 320.433 2.658 0 50 DFAA Cc1cccc(-c2noc([C@@H]3CS[C@@]4(C)CCC(=O)N34)n2)n1 952993792 JZLSJLISZSKUJD-NHYWBVRUSA-N 316.386 2.567 0 50 DFAA O=C(NS(=O)(=O)CC1CCCCC1)[C@@H]1CCC[C@@H]1C(F)F 1875252118 LKYRIKFERWUORL-NWDGAFQWSA-N 323.405 2.694 0 50 DFAA CC(C)c1ccc(NC(=O)[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1 1875274237 XLRFCCGJAUHPPF-HUUCEWRRSA-N 309.431 2.962 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(C(F)(F)F)CC3)n[nH]c21 1875294232 NSRIRWYJFYFQSO-SFYZADRCSA-N 317.311 2.504 0 50 DFAA CCn1nccc1[C@@H](C)Nc1cnn(-c2ncccc2F)c1 1875285221 HCDFYDSHUCUMTC-LLVKDONJSA-N 300.341 2.796 0 50 DFAA CCOC(=O)c1c[nH]nc1SC[C@]12CCCC[C@H]1CC(=O)O2 1875307166 VQHFZJGHJJVCFI-ZUZCIYMTSA-N 324.402 2.554 0 50 DFAA O=C(O)c1coc(-c2cc(F)ccc2OC[C@H]2CCOC2)n1 888096175 WMQKGBHXDRPZRH-VIFPVBQESA-N 307.277 2.594 0 50 DFAA CCc1cc(C(=O)Nc2ccnc(N3CCCCC3)c2)no1 888577436 FSCZEQLVSSIELV-UHFFFAOYSA-N 300.362 2.875 0 50 DFAA C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1c(O)cc(F)cc1F 1775999058 PEDKYCCPKWYMOZ-ONGXEEELSA-N 315.316 2.583 0 50 DFAA CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21 973866 QHBZKFMIACFJST-UHFFFAOYSA-N 309.365 2.821 0 50 DFAA COc1cc(OC)cc(-c2nnc3c4ccccc4cnn23)c1 13718711 GXILBPKYHOIYCJ-UHFFFAOYSA-N 306.325 2.962 0 50 DFAA CC1(C)C[C@@](CC(=O)N2CCOCC2)(c2ccccc2)CCO1 90295 NNJXOMCHXNHMDQ-LJQANCHMSA-N 317.429 2.762 0 50 DFAA O=C(CCc1nc(-c2ccccc2F)no1)Nc1cccnc1 428187 HNHWKAJHFZEHHS-UHFFFAOYSA-N 312.304 2.842 0 50 DFAA COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c(OC)c1 2910112 LDNMVXGPFKHGRA-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA biogenic CCOc1c(Cl)cc(CNCC2CCNCC2)cc1OC 10434684 JWWHCAUZWBXPNI-UHFFFAOYSA-N 312.841 2.837 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3cc4ccccc4s3)C[C@H]12 102653629 YFMYSLSPANJQDQ-ZSOGYDGISA-N 300.427 2.781 0 50 DFAA CCc1cccc2c(=O)cc(C(C)C)n(CC(=O)NC3CC3)c12 225655391 ALHBHOCNAKUONU-UHFFFAOYSA-N 312.413 2.966 0 50 DFAA CC(C)c1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1 246829132 URVMTYCEWDSBTK-FZMZJTMJSA-N 323.343 2.779 0 50 DFAA Cc1noc(C)c1Cn1ncc(N(C)Cc2ccccc2)cc1=O 20572928 OPWNPQPDVCPTDM-UHFFFAOYSA-N 324.384 2.533 0 50 DFAA Cc1cc(-c2noc(-c3cccc(=O)n3C)n2)nc2ccccc12 350778229 RCLZYTQJSKSGQS-UHFFFAOYSA-N 318.336 2.959 0 50 DFAA OC[C@@H]1CN(Cc2nc(-c3ccccc3)no2)c2ccccc21 433293919 IUFDECBMQJLOOR-AWEZNQCLSA-N 307.353 2.833 0 50 DFAA Cc1cc(-c2nnc3sc(-c4ccccc4F)nn23)[nH]n1 22501513 CWNGDAFPLFHATE-UHFFFAOYSA-N 300.322 2.690 0 50 DFAA Cc1cccc(CN2CCN(Cc3ccc(N(C)C)nc3)CC2)c1 72163261 JBDGDLCWUMFGEF-UHFFFAOYSA-N 324.472 2.774 0 50 DFAA Cc1cc(N2CCN(Cc3c(C)noc3C)CC2)cc(C)n1 216080727 MJLOBHSFOQOFSS-UHFFFAOYSA-N 300.406 2.625 0 50 DFAA O=C(c1ccc(Cl)cc1)N1CCN(CC2CCOCC2)CC1 171823451 BCOMEJIGAKRYKI-UHFFFAOYSA-N 322.836 2.524 0 50 DFAA Cc1ccc(NC(=O)NCCCN2CCCC2=O)cc1Cl 6449835 OWSHUQGRZXBNAC-UHFFFAOYSA-N 309.797 2.782 0 50 DFAA CO[C@@H]1CCC[C@H](OC(=O)C[C@@H](C)NC(=O)c2ccccc2)C1 229579525 PNWNRODDXOGSHJ-BMFZPTHFSA-N 319.401 2.696 0 50 DFAA OCc1ccc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 253394673 IRPHOQWQIQTLNK-QAPCUYQASA-N 319.351 2.765 0 50 DFAA Fc1cnc(N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)nc1 253630275 VLIRVDMRZXYCIL-ZDUSSCGKSA-N 324.363 2.785 0 50 DFAA O=C(N[C@@H]1CCCCC[C@H]1C(=O)O)c1csc(C2CC2)n1 120178296 DKXPKXLFWPWUCH-GHMZBOCLSA-N 308.403 2.784 0 50 DFAA O=C(NOCc1ccc(C(F)(F)F)cc1)[C@H]1CCCCO1 152124612 YUAQUPYEAOWHAN-GFCCVEGCSA-N 303.280 2.822 0 50 DFAA C[C@H](NC1CCC(O)(c2cccnc2)CC1)C1CCOCC1 364180308 LDWINULQWGMMLH-NNGSBXSVSA-N 304.434 2.617 0 50 DFAA COC1(CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CCOCC1 154843348 UOCNWQZXNORHRF-NWDGAFQWSA-N 323.355 2.667 0 50 DFAA CC(C)c1ccc(C(=O)NCc2cccc(-n3cncn3)c2)nc1 377960093 YUZNZFCYBQBMSM-UHFFFAOYSA-N 321.384 2.716 0 50 DFAA Cc1ccc(C[C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c(C)c1 237544606 HTLYJSHPIHHBLT-LPHOPBHVSA-N 310.441 2.921 0 50 DFAA CCOC(=O)c1cnn(-c2cccc(Cl)c2Cl)c1N 49906188 WATGHUKQHWSSHX-UHFFFAOYSA-N 300.145 2.938 0 50 DFAA CC(=O)c1ccc(C(=O)NCCCNc2cccnc2)s1 222390102 FIVIFEZYDIYAJB-UHFFFAOYSA-N 303.387 2.578 0 50 DFAA Cc1cn2cc(C(=O)NCc3c(F)cccc3F)ccc2n1 82138798 HZXJMGRSUSZRFQ-UHFFFAOYSA-N 301.296 2.851 0 50 DFAA COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C(=O)O)s1 263482589 AYFQBHGGRVELGV-NSHDSACASA-N 317.366 2.872 0 50 DFAA Cc1ccc2nc(CCn3cc([C@H]4CCOC4)nn3)[nH]c2c1C 92028781 LONMRMYHDIBCED-ZDUSSCGKSA-N 311.389 2.518 0 50 DFAA C=Cc1ccc(NC(=O)N(C)CCN2CCCCC2=O)cc1 96151279 FCLGIBSKOUUCCC-UHFFFAOYSA-N 301.390 2.806 0 50 DFAA NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 95920747 IIRWNGPLJQXWFJ-KRWDZBQOSA-N 313.788 2.925 0 50 DFAA in-man C[C@H](C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1)N(C)C 426567146 UBRPAEMHCJPURK-LLVKDONJSA-N 303.406 2.692 0 50 DFAA COc1cccc2c1OC[C@H](Cc1ccc(NC3CC3)nn1)C2 95364184 FAGSBEMCPLNKNS-LBPRGKRZSA-N 311.385 2.853 0 50 DFAA Cc1cc(-n2cccn2)ccc1-c1cn(CCCCCO)nn1 91535794 VNDVVCBOGYMMPZ-UHFFFAOYSA-N 311.389 2.602 0 50 DFAA OC[C@]1(Cc2ccccc2)CCCN(c2ncnc3[nH]ccc23)C1 292382935 QJMRWBMUOSDWCF-IBGZPJMESA-N 322.412 2.780 0 50 DFAA CCOCCOc1ccccc1-c1nc([C@H]2CCOC2)no1 96179994 YLXMKZKMGZHBLG-LBPRGKRZSA-N 304.346 2.656 0 50 DFAA CCCc1cc(NC(=O)N2CCOC3(CCCCC3)C2)n(C)n1 179668790 DXZWVSJYDRMFGD-UHFFFAOYSA-N 320.437 2.940 0 50 DFAA c1csc(CN(Cc2noc([C@H]3CCCO3)n2)C2CC2)n1 244633416 GCPKVLMUSDTKSX-LLVKDONJSA-N 306.391 2.542 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)CCCC(=O)O)cc1 299750781 OJAACGWVJLBNCM-WBVHZDCISA-N 319.401 2.786 0 50 DFAA CCc1n[nH]c([C@H]2CN([C@H]3CCCc4ccccc43)CCO2)n1 299754020 LNFOGTPUJVYHDK-JKSUJKDBSA-N 312.417 2.818 0 50 DFAA C[C@@H]1CN(C(=O)c2ccco2)C(C)(C)CN1C(=O)c1ccco1 297690943 HGSCZWHKRCEPSD-GFCCVEGCSA-N 316.357 2.638 0 50 DFAA CC(C)(C)C(=O)NCCc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299742024 ARYKAXMBGCSBNU-AAEUAGOBSA-N 323.437 2.693 0 50 DFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1 824313389 RKWQYNBQNKFLNY-UHFFFAOYSA-N 308.721 2.770 0 50 DFAA O=C(NC1(c2cc(F)cc(F)c2)CC1)N1CCCC[C@@H]1CO 584895607 LPWPYOAZLJBIOR-CQSZACIVSA-N 310.344 2.510 0 50 DFAA c1cc([C@@H]2CCCN(Cc3noc(C4CCCC4)n3)C2)n[nH]1 670473735 VACQMABEFWJHGV-CYBMUJFWSA-N 301.394 2.830 0 50 DFAA CCc1ccc2c(CN3CCC[C@@H]3c3nc[nH]n3)cc(=O)oc2c1 408524468 USGPPCSKTWRYIF-OAHLLOKOSA-N 324.384 2.811 0 50 DFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1cc[nH]n1 170604549 FCDPWRRFECBDSQ-UHFFFAOYSA-N 312.295 2.736 0 50 DFAA O=C(CCc1ccc(F)cc1)NCc1ccnc(-n2cccn2)c1 170605838 XHEAEPOOOPBWRR-UHFFFAOYSA-N 324.359 2.655 0 50 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LHNCFNFLSYGGMF-UHFFFAOYSA-N 324.432 2.651 0 50 DFAA CCC[C@H]1COC[C@H]2CN(Cc3ccc(OC)c(F)c3)CCN12 1529090340 GWHVQDVPIKVBGP-JKSUJKDBSA-N 322.424 2.519 0 50 DFAA CCNC(=O)N(CC)Cc1nc(-c2ccc(Cl)cc2)no1 5451005 BCWZUAJEJHQMAC-UHFFFAOYSA-N 308.769 2.941 0 50 DFAA COc1ccc(OCc2nc(C(=O)NC(C)(C)C)co2)cc1 12441146 KMACJHWHLWIVRV-UHFFFAOYSA-N 304.346 2.791 0 50 DFAA CC(C)(C)C1CCC(C(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)CC1 1857668763 NGWPISSPAUGBHP-IADFQQGMSA-N 323.477 2.696 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)CCOc1ccccc1F 237981961 KKFDRUXNRFCDPB-CYBMUJFWSA-N 323.364 2.841 0 50 DFAA Cc1cnc(C(=O)Nc2nc(C)cc(-c3ccccc3)n2)cn1 1875248838 RMXSQYXCDNADOQ-UHFFFAOYSA-N 305.341 2.803 0 50 DFAA CCCC[C@@H]1CN(c2cncc3nccn23)C[C@H](C2CC2)O1 1875243909 DCGIIMOGWVKMSJ-HUUCEWRRSA-N 300.406 2.903 0 50 DFAA O=C1C[C@H](c2noc(C3(c4ccccc4)CC3)n2)CN1CC1CC1 225599243 RKAPNACESKDUKL-AWEZNQCLSA-N 323.396 2.875 0 50 DFAA Cc1nc(CNC(=O)C[C@@H]2CCCC(C)(C)C2)sc1C(N)=O 636158794 FOLWAPOLCQBOCP-NSHDSACASA-N 323.462 2.773 0 50 DFAA 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317.385 2.748 0 50 DFAA CC(C)[C@@H](CC(=O)O)NC(=O)/C=C/c1ccc2ccccc2n1 1776006150 NHGJMQIEXOMCSQ-ZNFPLGDCSA-N 312.369 2.864 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)CCCN1CCc1cnn(C)c1 265853788 IUZUVODKNCHKFY-QGZVFWFLSA-N 312.461 2.559 0 50 DFAA CC(C)(NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)O 426419973 CJAYXKWDJAFXEG-UHFFFAOYSA-N 309.671 2.952 0 50 DFAA COc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)c(OC)c1 528025 IYWDMELAVILDBK-QGZVFWFLSA-N 313.353 2.956 0 50 DFAA COc1ccc2c(c1)[C@H](c1nc([C@@H]3C=CC=NC3=O)no1)CCC2 2325762164 IMPHIBLDJOAATM-KGLIPLIRSA-N 323.352 2.797 0 50 DFAA C[C@@H]1CNCCN1C(=O)N1CC=C(c2ccccc2Cl)CC1 2325870493 ZRJQLACZTYDIMN-CYBMUJFWSA-N 319.836 2.843 0 50 DFAA O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccco2)c1 359714 XYMQCNOMJGUHCX-UHFFFAOYSA-N 324.745 2.758 0 50 DFAA COC(=O)[C@]1(CC(=O)C(C)(C)C)NN=C(c2ccccc2)S1 366869 ANBKYTUNLYQFKG-MRXNPFEDSA-N 320.414 2.559 0 50 DFAA COc1ccc(S(=O)(=O)N2CCCC2)c(Cl)c1Cl 382516 AGRILMMGJONFRV-UHFFFAOYSA-N 310.202 2.787 0 50 DFAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCCc1cccc(Cl)c1 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C[C@@H]1C[C@@H]1c1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)o1 252146413 NYSWQDJLNDEQKW-FTGAXOIBSA-N 307.357 2.849 0 50 DFAA CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(-c2ccco2)nn1C 252485040 GMUVQFZIXZFIHX-LBPRGKRZSA-N 318.377 2.713 0 50 DFAA COCc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 252508990 YAFVDDAEPFHZTP-ZDUSSCGKSA-N 312.369 2.590 0 50 DFAA Cn1nc(C(C)(C)C)cc1C(=O)N1CCO[C@@H](c2ccco2)C1 253427931 ONDOXXHFGOKSQU-CQSZACIVSA-N 317.389 2.524 0 50 DFAA O=C(Cc1cccc2cccnc12)N1CCCC[C@H]1c1ncon1 122694488 URDLEVJEFQHTIJ-HNNXBMFYSA-N 322.368 2.914 0 50 DFAA CCN1CCC[C@@H](CN(C)CCCSC)[C@@H]1c1cnn(C)c1 328643523 RIKYGQRINOVJIS-DOTOQJQBSA-N 324.538 2.878 0 50 DFAA CN(Cc1ncccn1)[C@@H]1CCN(C/C=C/c2ccccc2)C1 328655383 YHEHZRWAJODODT-QKYXPGDISA-N 308.429 2.696 0 50 DFAA Cn1cc([C@@H]2N=C(O)CC[C@H]2NC/C=C/c2ccccc2)cn1 328625376 DCBJGIOFRSGFIT-QWYBNYMASA-N 310.401 2.883 0 50 DFAA COc1cccc(C(=O)Nc2cccc(N3CCC3=O)c2)c1F 253430158 IDXPZZDOFWHHFJ-UHFFFAOYSA-N 314.316 2.823 0 50 DFAA O=S(=O)(NCc1ccccc1)N1CC[C@H]1c1cccs1 71707891 YZGVVAKOFACSOP-ZDUSSCGKSA-N 308.428 2.530 0 50 DFAA CC(C)C[C@@H](O)C1CCN(Cc2cccc(CCN)c2)CC1 77422200 JVKVXKHAZPCASB-LJQANCHMSA-N 304.478 2.807 0 50 DFAA COCc1ccccc1CNC(=O)[C@H](C)[C@H](N)c1ccccc1 237172898 FRICFQUUSUFSCS-KDOFPFPSSA-N 312.413 2.785 0 50 DFAA CCCc1cnc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)s1 333567291 XIYIZKZJHDYOLE-FDYHWXHSSA-N 305.403 2.513 0 50 DFAA CC(C)[C@H](CNCc1cc2ccccc2[nH]c1=O)N1CCCC1 74337336 USRKKIMVILJIIG-SFHVURJKSA-N 313.445 2.738 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CC[C@H]1CCCO1 237647013 HOSKVYIAAWJVNI-HIFRSBDPSA-N 305.374 2.586 0 50 DFAA Cc1nc2ccccc2n1CCC(=O)N1CC(c2ccccn2)C1 72162699 ATSZBELCDVROLI-UHFFFAOYSA-N 320.396 2.756 0 50 DFAA CCc1c(C)cc(C(=O)N(C)Cc2ccsc2)c(=O)n1C 71708058 FTMYEKLMDCAFEB-UHFFFAOYSA-N 304.415 2.590 0 50 DFAA Cc1cc(NCCSc2nccn2C)n2nc(C)c(C)c2n1 72434774 HBRKYRIMMKKZKQ-UHFFFAOYSA-N 316.434 2.592 0 50 DFAA CC[C@H](C)N(CC(=O)O)C(=O)c1ccc(-n2ccc(C)n2)cc1 262185166 PEMXNYNRLGEGIV-ZDUSSCGKSA-N 315.373 2.506 0 50 DFAA CC[C@@H]1c2cccn2CCN1C(=O)Cc1cnc2ccccn12 77486221 WEFYCSJUFWAKAQ-OAHLLOKOSA-N 308.385 2.672 0 50 DFAA COc1ccccc1CN[C@H]1CCN(Cc2ccccc2)C1=O 374021972 LBJHOALTMHZJHT-KRWDZBQOSA-N 310.397 2.586 0 50 DFAA COc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C1=O 374021973 LBJHOALTMHZJHT-QGZVFWFLSA-N 310.397 2.586 0 50 DFAA C[C@@H](Cc1ccccn1)N(C)C(=O)CN1CCCCCCC1 222776146 IDTYFWRNBYHBSL-INIZCTEOSA-N 303.450 2.737 0 50 DFAA O=C(NCCNc1ccc2ccccc2n1)c1ocnc1C1CC1 289660385 YOPBVHUHGNYYIL-UHFFFAOYSA-N 322.368 2.942 0 50 DFAA CC(C)Oc1ccc2ccccc2c1CNC(=O)[C@@H](C)C(=O)O 263537473 AIDFIARTVBACGK-GFCCVEGCSA-N 315.369 2.964 0 50 DFAA CC[C@@H]1Cc2ccccc2CN1C(=O)c1ccnc(C(=O)O)c1 263578705 SYGSQGZKWBWKAW-OAHLLOKOSA-N 310.353 2.757 0 50 DFAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1ncccc1C 41096138 BLCCSDGBISHBOO-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA CN1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)CCC1=O 133554892 DPQKDARGEMKPDH-HNNXBMFYSA-N 308.381 2.704 0 50 DFAA CN(C)C/C=C/C(=O)N(C)Cc1ccccc1C(F)(F)F 264654160 TWSCBAPSIIJFLN-RMKNXTFCSA-N 300.324 2.782 0 50 DFAA O=C(NCCc1ccco1)N1CCO[C@H](c2ccccc2)C1 339512554 HUFLNIIWJKKDHG-INIZCTEOSA-N 300.358 2.605 0 50 DFAA O=C(O)Cn1ccc([C@@H]2CCCN(Cc3ccc(Cl)o3)C2)n1 426597281 UHUJQQXWNOFZEW-LLVKDONJSA-N 323.780 2.594 0 50 DFAA CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)o1 265358070 WCDCOEPMLZMYKY-AWEZNQCLSA-N 314.341 2.913 0 50 DFAA Cc1nc(N(C)C)ncc1C(=O)N(C)C/C=C/c1ccccc1 95372270 CUMOLAWMKQVARV-DHZHZOJOSA-N 310.401 2.636 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)NCc1cn2c(n1)SCC2 91575417 SBQBYNNPPGCWDU-ZDUSSCGKSA-N 313.426 2.725 0 50 DFAA C[C@@H]1CN(Cc2noc(C3CCCC3)n2)C[C@@]1(O)C1CCC1 92066185 RORZOCSZXDEYHG-PXAZEXFGSA-N 305.422 2.710 0 50 DFAA Cc1c(NC(=O)N(C)CC[C@@H]2CCCCO2)cccc1C(N)=O 96139449 RKWWEIYWDBBQOP-ZDUSSCGKSA-N 319.405 2.517 0 50 DFAA Cc1cc(C)cc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2O)c1 244795039 QYNDLZFKOMCRBM-HYVNUMGLSA-N 305.418 2.833 0 50 DFAA O=C(COc1ccc(Cl)c(Cl)c1)NCC[C@@H]1CCOC1 344262306 GZABWQJPESDFCZ-SNVBAGLBSA-N 318.200 2.915 0 50 DFAA Cc1nc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c(C)s1 183719034 ZHMYSTHMKUDKIW-UHFFFAOYSA-N 313.386 2.808 0 50 DFAA CSc1ncc(C(=O)O)c(-c2ccc(-n3cccn3)cc2)n1 534632959 FSVGPAZMGIOYJA-UHFFFAOYSA-N 312.354 2.749 0 50 DFAA CCc1cccc(NC(=O)CCC(=O)NCCc2ccco2)c1 823531383 LJFYITNEBOHCOS-UHFFFAOYSA-N 314.385 2.920 0 50 DFAA Cc1cc(-c2nc(Cc3cccs3)nn2CCO)cnc1C 828778471 QYTOQJUHYJPDCE-UHFFFAOYSA-N 314.414 2.602 0 50 DFAA O=C(N1CC(c2ccncc2)C1)C1(N2CCCC2)CCCCC1 952873519 KZOMPKLCGSPAQD-UHFFFAOYSA-N 313.445 2.806 0 50 DFAA C[C@@H](NCc1cc2ccc(Cl)cc2nc1O)c1nncn1C 952966629 XRRDGNTYOJUOLF-SECBINFHSA-N 317.780 2.573 0 50 DFAA Cc1cccn2cc(CCN[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)nc12 170065582 SAIPLCBEXLQQNO-BBWFWOEESA-N 313.445 2.978 0 50 DFAA CCCN(C)C[C@H]1CCN(C(=O)N2CCc3ccccc32)C1 170654544 LPTQIDFSRGHZBX-OAHLLOKOSA-N 301.434 2.833 0 50 DFAA CN(C)S(=O)(=O)N(C)c1ccc(OCc2ccccc2)cc1 170602176 RKAACVKHKQEKSV-UHFFFAOYSA-N 320.414 2.508 0 50 DFAA CCn1c(CC(F)(F)F)nnc1N1CCCC[C@H](COC)C1 647391354 HQAHPDWVPOJFRD-NSHDSACASA-N 320.359 2.656 0 50 DFAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1 195077907 IQLPKAZSOLXFAM-MWDXBVQZSA-N 318.392 2.938 0 50 DFAA CCS(=O)(=O)c1ccc(N2CCC[C@@H](n3cccn3)C2)cc1 195576159 JIAFCCIHZBHYRJ-OAHLLOKOSA-N 319.430 2.518 0 50 DFAA O=S(=O)(/C=C/c1ccccc1)NCc1ccc2c(c1)OCO2 103090 CRGQZKDNDYCZPE-CMDGGOBGSA-N 317.366 2.506 0 50 DFAA CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 11774433 LLJFAZUFZUXTNU-CYBMUJFWSA-N 320.820 2.699 0 50 DFAA COc1cccc2c(C)cc(NCCCN3CCOCC3)nc12 16671078 NEEWWWCPSJQAOS-UHFFFAOYSA-N 315.417 2.686 0 50 DFAA O=C(c1ccco1)N1CCN(Cc2cccc(Cl)c2)CC1 19789388 UTTLUPCTIOOPQD-UHFFFAOYSA-N 304.777 2.891 0 50 DFAA CCOC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 169805815 QHPHBTMMKKWYDP-SNVBAGLBSA-N 307.337 2.832 0 50 DFAA Cc1nnc([C@@]23CCC[C@H]2CN(C(=O)c2cc(C)c(C)o2)C3)o1 1857529800 JBZOYGRTFBMCJB-SUMWQHHRSA-N 315.373 2.782 0 50 DFAA COC[C@H](Nc1ncnc(N)c1Cl)c1ccc(F)c(F)c1 302849672 PISGPBSBGSDZKQ-JTQLQIEISA-N 314.723 2.790 0 50 DFAA C[C@H](NC(=O)NC(C)(C)COCc1ccccc1)c1cn[nH]c1 225583074 NHQPXNGEHONMGD-ZDUSSCGKSA-N 316.405 2.765 0 50 DFAA O=C1CCCCN1[C@H](c1ccccc1)n1nnc2ccccc21 5489645 MDNXXHAZUMJOLJ-SFHVURJKSA-N 306.369 2.991 0 50 DFAA COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](N)C2)c1 237302339 MHZQCRXZYZJPPM-UXLLHSPISA-N 302.418 2.876 0 50 DFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2cnccn2)C1 343572494 XREIQDDYYGWMNW-SNVBAGLBSA-N 311.311 2.613 0 50 DFAA O=C(NCc1cc2ccccc2o1)N[C@H]1CC[C@H](CO)CC1 247690857 SPEQHYPHFYQSSX-MQMHXKEQSA-N 302.374 2.783 0 50 DFAA O=C(O)Cc1ccccc1NC(=O)c1cc2c(s1)CCOC2 262123025 JVGLENYCLWASHE-UHFFFAOYSA-N 317.366 2.700 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)c2cccc3c2CCCCC3)C1 907598803 WEKHITWFNDEUMH-SFHVURJKSA-N 301.386 2.892 0 50 DFAA CC(C)(O)CNC1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1252370075 JCPLWFSKOMJEMK-UHFFFAOYSA-N 312.454 2.527 0 50 DFAA Cc1nnc([C@H]2CCCN(C(=O)Nc3cncc(Cl)c3)C2)o1 932125826 AJLSFUVAIOQAHH-JTQLQIEISA-N 321.768 2.838 0 50 DFAA CC1(C)Cc2cccc(CC(=O)Nc3cnn(CCF)c3)c2O1 1875294992 AKFMXSJBGBAOND-UHFFFAOYSA-N 317.364 2.747 0 50 DFAA CC1(C)CC(C(=O)N2[C@@H](c3ccccc3)CCS2(=O)=O)C1 1875319602 JXVCIIXTQDKBBW-CQSZACIVSA-N 307.415 2.726 0 50 DFAA FC(F)C(F)(F)COCc1noc(/C=C/c2cocn2)n1 1775997934 PPKLRWJDHJUJLF-OWOJBTEDSA-N 307.203 2.645 0 50 DFAA Cc1cc(CNCc2cccn3ccnc23)cc(N2CCCC2)n1 2325777654 SFJAGJHVWLYMES-UHFFFAOYSA-N 321.428 2.928 0 50 DFAA c1ccc(-c2cnc(CNC[C@@H]3CCCc4nccn43)[nH]2)cc1 2325777916 OPLQDBZRGNVEAA-HNNXBMFYSA-N 307.401 2.940 0 50 DFAA CC1=N[C@@](C)(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)CS1 2325803678 UWPFJLHXECEEHV-ZBFHGGJFSA-N 306.479 2.769 0 50 DFAA CN(C)[C@@H](CN=c1ccc2ncccc2[nH]1)c1ccc(F)cc1 2325855871 SAPOZOZBLVQMHK-KRWDZBQOSA-N 310.376 2.906 0 50 DFAA CCOC(=O)C[C@H]1CSc2nc3sc(C)c(C)c3c(=O)n21 151950 DAMAEDPXQRVOFW-VIFPVBQESA-N 324.427 2.675 0 50 DFAA OC[C@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 211686 HKOZFWCLALXQAN-NSHDSACASA-N 302.187 2.793 0 50 DFAA COc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 243065 XETHJVRMRSTDSY-AWEZNQCLSA-N 312.369 2.793 0 50 DFAA COc1cc(C(=O)Nc2ccc(O)cc2)ccc1OC(C)=O 313510 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O=C(c1ccc(Oc2cccnc2)cc1)N1CC[C@@](O)(C2CC2)C1 373250722 SEXBKTOJSRPOPW-IBGZPJMESA-N 324.380 2.861 0 50 DFAA CC(C)CNC(=O)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 71375658 BSGISHYOBQSCDS-UHFFFAOYSA-N 321.380 2.772 0 50 DFAA COc1ccc(OC[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)cc1 77422867 XRYVKLCXIKGVFI-AWEZNQCLSA-N 314.385 2.955 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@H]([C@H]2CCNC2)C1 449193097 QIAZOQVAVZEHHJ-KBPBESRZSA-N 315.442 2.758 0 50 DFAA Cc1c(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cccc1N(C)C 241515721 OHKXRSMQBGEUNW-GJZGRUSLSA-N 317.433 2.951 0 50 DFAA COc1ccc(C2CCN(CCN3CCO[C@H](C)C3)CC2)cc1 241693943 QIZHKJGOJLESDE-MRXNPFEDSA-N 318.461 2.595 0 50 DFAA Cc1cccc(OC[C@H](O)CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 245289784 FCELHKBLYVYJCE-VDHUWJSZSA-N 319.445 2.528 0 50 DFAA Cc1nc(CCC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)n[nH]1 426406303 OXKRTZXDMYVZRU-HNNXBMFYSA-N 312.417 2.698 0 50 DFAA O=C(CCCOc1ccccc1)NCc1ccc2nonc2c1 223340339 BGPHSAJATOJWSQ-UHFFFAOYSA-N 311.341 2.698 0 50 DFAA COCC[C@@H]1CCCCN(C(=O)c2ncnc3ccsc23)C1 613577376 QGMJFOWVTNIUKG-LBPRGKRZSA-N 319.430 2.970 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cncn2-c2ccc(F)cc2)CCO1 178971322 NMLQSSXXECOFFA-CYBMUJFWSA-N 317.364 2.699 0 50 DFAA c1ccc(C2CCN(Cc3nc([C@H]4CCOC4)no3)CC2)cc1 96148910 DFQZVFBQWYGRGS-INIZCTEOSA-N 313.401 2.953 0 50 DFAA O=C(O)[C@@H]1CN(C2CSCCSC2)C[C@H]1c1ccccc1 91664817 AMQQVHMRIKMQDO-LSDHHAIUSA-N 323.483 2.635 0 50 DFAA O[C@@H]1CCCOC12CCN(c1cccc(C(F)(F)F)n1)CC2 91364601 VZZHLHYEZPDHOM-GFCCVEGCSA-N 316.323 2.611 0 50 DFAA Cc1nc(COC[C@H]2CCCCO2)n(-c2ccc(F)cc2F)n1 96150691 OADIMFQSCKPGQM-CYBMUJFWSA-N 323.343 2.940 0 50 DFAA O=C(CN1CCC(c2ncco2)CC1)NCC1CCCCC1 585136714 QEPJWAXKBQBMPB-UHFFFAOYSA-N 305.422 2.551 0 50 DFAA Cc1ccccc1NS(=O)(=O)[C@@H]1C(=O)[C@H]2C[C@H]1C(C)(C)[C@H]2C 584904290 IENVFXXCBDGHFQ-JFILPPLUSA-N 321.442 2.986 0 50 DFAA CSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1cccc(C)c1F 670416151 RTYJTNAWGWOYLV-SECBINFHSA-N 319.361 2.826 0 50 DFAA CN1CCC(CCc2ncnn2Cc2ccc(F)cc2)CC1 670468407 YKXRGMSETMOVSG-UHFFFAOYSA-N 302.397 2.740 0 50 DFAA CCc1oc2ccccc2c1C(=O)N1CC[C@H](C(=O)N(C)C)C1 1412176133 COUKQXRKCRUYMG-LBPRGKRZSA-N 314.385 2.546 0 50 DFAA O=c1c(I)c[nH]c2ccc(Cl)cc12 72207189 VBUAJWSVMGQENU-UHFFFAOYSA-N 305.502 2.786 0 50 DFAA in-vitro CC(C)=CCO[C@H]1COCC[C@@H]1NC1CSCCSC1 1565510751 XQTDMIBJLXBJNK-GJZGRUSLSA-N 317.520 2.565 0 50 DFAA CC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1cccc(OC)c1 952981020 BJLZRJOFSSIRQW-INIZCTEOSA-N 320.414 2.862 0 50 DFAA Cc1c(Cl)cc(NC(=O)N2CC(=O)N(C)C2)cc1Cl 408147663 HGVKWEQZKZRAGF-UHFFFAOYSA-N 302.161 2.565 0 50 DFAA COCc1nc2n(n1)C[C@H](N[C@@H](C1CCCCC1)C1CC1)CC2 170074095 CEWRZEDVUQKRSX-QAPCUYQASA-N 318.465 2.688 0 50 DFAA O=C(NCCc1nnc(S)n1C1CC1)C1CCCCCCC1 170639022 VQCNCLGRLQUVKZ-UHFFFAOYSA-N 322.478 2.921 0 50 DFAA CN1CC[C@H](NC(=O)Nc2ccon2)[C@@H]1c1ccc(F)c(F)c1 170606456 ZUEBRSRTZBWOJN-JSGCOSHPSA-N 322.315 2.520 0 50 DFAA CSCc1nnc(S[C@@H]2CCc3ccccc3NC2=O)o1 187824612 RUTYUERPBFAGON-LLVKDONJSA-N 321.427 2.978 0 50 DFAA O=C(Nc1ncc2c(n1)COC2)[C@@H]1C[C@H]1c1cc(F)ccc1F 637739218 MDCAUIXAGMPOPI-CMPLNLGQSA-N 317.295 2.527 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CCN1 188457816 UPFWWRJUWQVBOH-DDTOSNHZSA-N 312.335 2.629 0 50 DFAA Cc1nc([C@@H]2CCCN2CC(=O)N2CCCC[C@@H]2C)cs1 189794862 ALPAMLHLXGEYCV-WFASDCNBSA-N 307.463 2.989 0 50 DFAA O=C(c1cc2sccc2[nH]1)N1CCSC2(CCOCC2)C1 192214081 KFBBBDZTUAOEDB-UHFFFAOYSA-N 322.455 2.968 0 50 DFAA C[C@H]1CN(CCN2CC[C@H](C(F)(F)F)C(C)(C)C2)CCO1 192845839 VVNTVVJJHRQINM-STQMWFEESA-N 308.388 2.618 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 194676984 YVIOJZFICFUOAU-CYBMUJFWSA-N 318.808 2.792 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2cnc(Br)s2)CCO1 585085949 DMFGHFPYAJPNJW-ZETCQYMHSA-N 319.224 2.593 0 50 DFAA c1ccc(CNCc2nnc3n2-c2ccccc2COC3)cc1 1772813315 WZMYJVXMFVQUAV-UHFFFAOYSA-N 306.369 2.587 0 50 DFAA O=C(c1cccc(OCCCn2ccnc2)c1)C1CCOCC1 1772814694 NZTIPESQHCWZDH-UHFFFAOYSA-N 314.385 2.962 0 50 DFAA Cc1ccccc1N1C[C@@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1=O 13518843 KWNZVABICVIOKB-LZWOXQAQSA-N 314.429 2.852 0 50 DFAA O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1cccc(Cl)c1 16346387 VOYQNPJTXSZKFC-CYBMUJFWSA-N 310.781 2.608 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 17043898 GANMHZSSAYDDPJ-SNVBAGLBSA-N 323.274 2.571 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3nc4ccccn4c3C)C2)n1 1857696475 CEJDSAMKFLDPLN-OAHLLOKOSA-N 323.400 2.543 0 50 DFAA CCOc1ccccc1C(=O)N1[C@H]2CC[C@@H]1[C@](CC)(C(=O)O)C2 1857699893 CJRIKBCKBGNEEM-WBHUJUFNSA-N 317.385 2.943 0 50 DFAA O=C(c1ccncc1C(F)(F)F)N1CCC(c2cnc[nH]2)CC1 328652044 BTGXZCRKBJZWCO-UHFFFAOYSA-N 324.306 2.843 0 50 DFAA CC(C)c1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)CN3C)cc1 1875244241 OHNBCOJHVNEBPH-PBHICJAKSA-N 317.433 2.604 0 50 DFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@H](N)C[C@H]2C)c1 408519192 QAAORLABUYSDIT-UPJWGTAASA-N 310.825 2.754 0 50 DFAA Cc1ccc(OC2CCN(C(=O)[C@H]3CC[C@@H](N)C3)CC2)cc1C 237778357 AELUJIUFTZXPEL-JKSUJKDBSA-N 316.445 2.801 0 50 DFAA CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 585126355 XDWOWJDPEGUVLY-GRYWWWGRSA-N 311.397 2.562 0 50 DFAA CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 905032212 AVYLMMPUXHOLEW-LLVKDONJSA-N 301.173 2.943 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)COc1cc(Cl)ccc1Cl 237475764 BMTMMCZWNADLGK-KOLCDFICSA-N 317.216 2.710 0 50 DFAA C[C@H](NC[C@H]1CCn2ccnc2C1)c1ccc2c(c1)OCCO2 952877370 PATRNLDFEIFKDK-KBPBESRZSA-N 313.401 2.568 0 50 DFAA C[C@H]1C[C@H](c2noc(-c3cc(C(N)=O)cs3)n2)CCS1 1875298826 OWBCUHRYYXTYNO-JGVFFNPUSA-N 309.416 2.896 0 50 DFAA C[C@@]1(CO)CCN1C(=O)Nc1cccc(OC(F)(F)F)c1 1775989998 HPLYHZPIWOULIS-LBPRGKRZSA-N 304.268 2.574 0 50 DFAA Cc1ccc(Cl)c(OC[C@@H](O)Cn2nnc3c2CCCC3)c1 899906337 UYMJMIOUDOFTSA-LBPRGKRZSA-N 321.808 2.559 0 50 DFAA O=S(=O)(NCc1ccccc1)c1ccc(Br)o1 353411051 JFZHIRHRQNYRFM-UHFFFAOYSA-N 316.176 2.521 0 50 DFAA COc1cc(COc2ccc([C@@H]3CCOC3)cc2)nc(OC)n1 2325787891 AEOURNSFINWKLR-CYBMUJFWSA-N 316.357 2.577 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CNC[C@@H](C)C3)cc2)c1C 2325795509 JKJYSFUTVOLALE-SWLSCSKDSA-N 312.417 2.673 0 50 DFAA Cc1ccc(NC(=O)c2csc([C@H](C)N)n2)c2[nH]ncc12 2325856829 DSWZEMFGHGNCMD-QMMMGPOBSA-N 301.375 2.600 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2cccc3c2CCO3)cc1 904900900 NGEBFPCODBSBGK-CYBMUJFWSA-N 309.365 2.634 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 340571 DFXHCIKTPSDMOT-UHFFFAOYSA-N 321.789 2.870 0 50 DFAA O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccnc1 556496 LGAHTWPNOHWKMR-UHFFFAOYSA-N 317.776 2.824 0 50 DFAA O=C(O)CCCCCNC(=O)c1cccc(Br)c1 2058467 BGMANTURRAJJCV-UHFFFAOYSA-N 314.179 2.824 0 50 DFAA O=C(c1cccc2c1COC2)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356159977 XWUJVZIYVPTVLM-IBGZPJMESA-N 323.396 2.560 0 50 DFAA Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1 2812150 CABJZWGGVZTFGY-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2F)NC(=O)N1 4144160 IYHDAOBCZVTOLI-CYBMUJFWSA-N 306.337 2.795 0 50 DFAA O=C(CSc1ncnc2sc3c(c12)CCC3)N1CCCC1 4284319 OLAQDLQOCNTLSK-UHFFFAOYSA-N 319.455 2.895 0 50 DFAA O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccco1 4870328 MVIDYDSKEFMPJE-AWEZNQCLSA-N 300.314 2.649 0 50 DFAA CCn1cc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cn1 6699599 WBRIWOSEPKXMBS-LLVKDONJSA-N 323.393 2.572 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl 6729946 ACGVFLYWPNSCGQ-UHFFFAOYSA-N 315.778 2.810 0 50 DFAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCCCC1 6731711 IAUAMHNXWSUNFV-UHFFFAOYSA-N 324.446 2.912 0 50 DFAA COc1ccc(C)cc1NC(=O)CNC(=O)c1ccccc1F 8082384 SLZQKADSYHNRSY-UHFFFAOYSA-N 316.332 2.511 0 50 DFAA CC(C)(C)c1ccc(OC[C@@H](O)CSc2ncn[nH]2)cc1 8580113 GELABSIHEHAUTB-GFCCVEGCSA-N 307.419 2.634 0 50 DFAA NC(=O)[C@@H]1CCCN(C(=S)Nc2cccc3ccccc23)C1 8682434 UHNBDHKSCJWKKS-CYBMUJFWSA-N 313.426 2.734 0 50 DFAA CC1(C)[C@H](NCCOc2ccc3c(c2)OCO3)[C@H]2CCCO[C@H]21 245845507 FKARSUZTEWLKFX-KBRIMQKVSA-N 319.401 2.587 0 50 DFAA CCOc1cccc(OCCN(C)C(=O)[C@@H](C)OC(C)C)c1 55359757 OJFPYZSGWCNANV-CQSZACIVSA-N 309.406 2.736 0 50 DFAA Cc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)oc1C 225500371 XJXYYYUKIQRXGB-WFASDCNBSA-N 308.328 2.878 0 50 DFAA O=C(N[C@@H](C(=O)c1ccccc1)N1CCCCC1)c1ccco1 53151175 FHKCUEBDIMJMSN-QGZVFWFLSA-N 312.369 2.704 0 50 DFAA O=C(c1ccnnc1)N1CCC(Oc2ccccc2Cl)CC1 134036126 MSZHRJSEQGXCGH-UHFFFAOYSA-N 317.776 2.814 0 50 DFAA CCN(CC)Cc1nnc2sc(-c3ccc(F)cc3)nn12 65364687 JYKYXZLVEDHASG-UHFFFAOYSA-N 305.382 2.834 0 50 DFAA Cc1ccsc1CN(CCN(C)C)C(=O)c1ocnc1C 20166492 AOKKTUUGXYXIPQ-UHFFFAOYSA-N 307.419 2.557 0 50 DFAA COc1cc(-c2noc([C@]3(C)C[C@H]4CC[C@H]3O4)n2)cnc1C 351160225 IKPPWJRSTNRYNY-AXAPSJFSSA-N 301.346 2.658 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)OCO3)C12CCC2 127469401 DALYLOLCEAPWTR-HZPDHXFCSA-N 317.385 2.835 0 50 DFAA c1ccc(N2CCc3nc(NCCN4CCCC4)ncc32)cc1 65529398 XYVLMEVIKPOYJY-UHFFFAOYSA-N 309.417 2.679 0 50 DFAA CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(CC)cc1 252536312 IDMKRMYSZVDTQN-INIZCTEOSA-N 302.418 2.656 0 50 DFAA O[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cn3ccccc3n2)C1 281894622 QFDJZEUMCMJKNR-IAGOWNOFSA-N 311.360 2.781 0 50 DFAA O=C(CN1CCC[C@@H]1/C=C/c1ccccc1)NCc1cccnc1 253425834 RPOGXOUOPVLDBJ-GNISGLHKSA-N 321.424 2.876 0 50 DFAA CC(C)(C)[C@@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C[C@@H]1O 332160021 QQJJENFSYNOIPF-GRYCIOLGSA-N 322.371 2.766 0 50 DFAA O=C(Nc1ccc(N2CCC2=O)cc1)c1ccncc1Cl 337097544 BHCLKBNIKWESKP-UHFFFAOYSA-N 301.733 2.724 0 50 DFAA CN(Cc1cccc2cnccc12)C(=O)c1ccc2[nH]nnc2c1 77439020 VUVOPMWSKNCULD-UHFFFAOYSA-N 317.352 2.778 0 50 DFAA COc1cccc([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)c1 215597317 LZHHUIJNQFXRGM-KRWDZBQOSA-N 312.417 2.888 0 50 DFAA CCc1cc(NCCCn2ccnc2C)n2nc(C)c(C)c2n1 72422167 BNHPQOCTYSXRRZ-UHFFFAOYSA-N 312.421 2.916 0 50 DFAA Cc1ccc(F)c(CCNC(=O)[C@H]2CCn3c(cnc3C)C2)c1 456333362 QOQNEGOXROEQBB-HNNXBMFYSA-N 315.392 2.560 0 50 DFAA CN(Cc1nccs1)c1nncc(-c2ccccc2F)n1 15074810 JJPNEXKSZHSDBJ-UHFFFAOYSA-N 301.350 2.771 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286138594 GHSQOKLBLIFEEA-OAGGEKHMSA-N 323.820 2.650 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 44791138 PCXISWPOAGRSOJ-CQSZACIVSA-N 306.406 2.881 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1 263405012 HLHHRRSXJINCPP-UHFFFAOYSA-N 310.353 2.800 0 50 DFAA Cc1ccc(C)c(CNC(=O)N2CCCN3CCC[C@H]3C2)c1 426641500 XMJZMLKQOBENQA-KRWDZBQOSA-N 301.434 2.683 0 50 DFAA Cc1nnc(-c2ccccc2C(=O)Nc2cnn(CC3CC3)c2)o1 178625216 VOIKOOQPZKZREK-UHFFFAOYSA-N 323.356 2.904 0 50 DFAA CCCCc1ccc(NC(=O)NCCc2n[nH]c(C)n2)cc1 95517446 CPUVZJSUHXGUPB-UHFFFAOYSA-N 301.394 2.820 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1 179002189 ONONTHZCSHPQLH-VIFPVBQESA-N 317.216 2.684 0 50 DFAA CCN(CC1CCOCC1)C(=O)[C@@H](c1ccc(C)cc1)N(C)C 91452544 JNCLGXCWORGEDG-GOSISDBHSA-N 318.461 2.873 0 50 DFAA CCCCOCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95356225 DGIGBXONFFIUEQ-INIZCTEOSA-N 319.401 2.908 0 50 DFAA COc1cc(C)ccc1OCCN(Cc1nccn1C)C1CC1 244741864 NYDQZRJYVJJMHR-UHFFFAOYSA-N 315.417 2.781 0 50 DFAA CO[C@H]1CCN(C(=O)c2cc3nccnc3cc2F)CC1(C)C 295982930 JSQGVRKVGJTYEF-HNNXBMFYSA-N 317.364 2.656 0 50 DFAA C[C@@H](c1nc(C2(c3ccc(F)cc3)CCC2)no1)n1cncn1 621809647 GTEBANRCHKKNRQ-NSHDSACASA-N 313.336 2.880 0 50 DFAA C[C@@H](Cn1cncn1)NCC1(c2ccc(F)cc2)CCCC1 534651522 GZWFSKCAEAAIRI-AWEZNQCLSA-N 302.397 2.907 0 50 DFAA CCc1noc(CCNC2CCN(c3ccc(C)cc3)CC2)n1 584901828 ADXCHMXDBGEWKP-UHFFFAOYSA-N 314.433 2.742 0 50 DFAA CCc1ncc(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)cn1 584888928 CMGYMUCVOBVYFA-UHFFFAOYSA-N 311.385 2.683 0 50 DFAA NC(=O)Cc1nc(C2CCC2)n(-c2cccc(C(F)(F)F)c2)n1 670451327 QFXQRVRANUSJMD-UHFFFAOYSA-N 324.306 2.581 0 50 DFAA Cc1ccnc2sc(C(=O)N3CC(C(C)(C)O)C3)c(C)c12 408444452 UAZBOUBHNSFQJP-UHFFFAOYSA-N 304.415 2.756 0 50 DFAA Cn1ccc(N2CCC[C@H](N[C@@H](c3ccccc3)C3CC3)C2=O)n1 170065236 YYOOTZSVSWAKTJ-WMZOPIPTSA-N 324.428 2.656 0 50 DFAA CN(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 275344953 VPPISKMCHRTICV-CTYIDZIISA-N 304.390 2.719 0 50 DFAA CCc1cc(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)n(C)n1 636128862 XFVFPOCBBBJQEH-LBPRGKRZSA-N 315.392 2.924 0 50 DFAA O=C(CN1CCCC1=O)Nc1nc2c(Cl)cccc2s1 192171556 DSLCEVPFOYVFDQ-UHFFFAOYSA-N 309.778 2.511 0 50 DFAA Cc1ccc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)o1 194815027 QIVYJZZZCJOUKF-UHFFFAOYSA-N 304.321 2.816 0 50 DFAA CC(C)CCCN1CCC(NC(=O)Cc2cccc(O)c2)CC1 1615586706 QWYFETIHOIJWBF-UHFFFAOYSA-N 318.461 2.952 0 50 DFAA O=c1oc(CN2CCOCC3(CCC3)C2)c(-c2ccccc2)o1 1615552999 UDRYREVUAVYOPO-UHFFFAOYSA-N 315.369 2.902 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCCc2nc3c(s2)CCC3)n1 1506405147 IMPAOPJVZQEWAP-LBPRGKRZSA-N 304.463 2.666 0 50 DFAA Cc1cncc(N2CCC[C@H](c3nc(CC(C)C)no3)C2)n1 1704335349 DUURGOBXKCTESE-ZDUSSCGKSA-N 301.394 2.751 0 50 DFAA Cc1cc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)[nH]n1 11935119 SJBOTWBTMHTKMJ-LJQANCHMSA-N 313.445 2.925 0 50 DFAA Cc1ncoc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12440764 CPHVXQBYEZQBNN-CQSZACIVSA-N 317.364 2.517 0 50 DFAA Cc1cc(C(=O)NCCc2ccccc2)c2c(C)nn(C)c2n1 14815109 LZGQBKFLDDTZAH-UHFFFAOYSA-N 308.385 2.558 0 50 DFAA CN=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2ccccc2C)C1 1857528016 VOMULVWWWPRWOU-VGSWGCGISA-N 320.458 2.861 0 50 DFAA Cc1ccc(Cl)c(CN2C[C@@H]3CCOC[C@]3(CO)C2)c1F 1857669703 ZSXFFPNPDDRAPQ-BLLLJJGKSA-N 313.800 2.618 0 50 DFAA CNC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)C1 237189089 GTXSECSWFPONHH-KBPBESRZSA-N 324.852 2.874 0 50 DFAA NC(=O)Nc1cccc(C(=O)OCc2cnccc2Cl)c1 242339229 ZGBXMOXUTLIKIT-UHFFFAOYSA-N 305.721 2.583 0 50 DFAA O=C(COc1ccccc1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348266352 XWMMIRNFTPBMST-RDJZCZTQSA-N 315.344 2.539 0 50 DFAA CN(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c(F)c1 262749145 AEIFZYNQIFQSLS-GFCCVEGCSA-N 322.380 2.609 0 50 DFAA Cc1c(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc(Cl)nc1Cl 1875369593 XKVTVTRBBFSPGO-ULHKAFAUSA-N 313.184 2.602 0 50 DFAA COC(=O)/C=C/CCNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 1875312278 YYYGQKAGKUXWQR-ZPSXMKBBSA-N 305.374 2.571 0 50 DFAA O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1coc(CO)c1 889084515 GXTQLYPAIMUZHS-OTCDBFHCSA-N 307.296 2.726 0 50 DFAA Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2cc(F)c[nH]2)n1 1775986258 GKSLHLBSBRKONW-LBPRGKRZSA-N 323.393 2.740 0 50 DFAA C[C@@H](NC(=O)c1ccc2cnccc2n1)[C@H](O)C1CCCCC1 2325782839 JZOZAMWYJYYXJG-PXAZEXFGSA-N 313.401 2.689 0 50 DFAA O=C(CS(=O)(=O)C1CCCC1)Nc1csc2ncccc12 2325802461 IRPSWCFAADDCRO-UHFFFAOYSA-N 324.427 2.592 0 50 DFAA C[C@H]1c2ccccc2C[C@H]1N(C)C(=O)c1cc(C(=O)O)sn1 2325802968 HYTDWGQGUMEIRN-TVQRCGJNSA-N 316.382 2.642 0 50 DFAA CCn1ncc2cc(C(=O)N3C[C@@H](C)Nc4ccccc43)cnc21 2325813544 XHEKYVRQIBLBGZ-GFCCVEGCSA-N 321.384 2.912 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3C[C@H](N)C34CCC4)cc2)c1C 2325840814 RRGJUJXFQYSWHA-SJORKVTESA-N 324.428 2.945 0 50 DFAA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1 184450 CUOXDRIVQZAHTF-CMPLNLGQSA-N 324.306 2.951 0 50 DFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(OC)cc2)C1 240255 NSZDGCWLNXOVFB-MRXNPFEDSA-N 304.434 2.776 0 50 DFAA COc1ccc([C@@H]2[C@@H]3COC(C)(C)CC3=NN2C(C)=O)cc1 379359 DEYWYIBQEVBCGD-GDBMZVCRSA-N 302.374 2.770 0 50 DFAA COc1ccc([C@@H](NC=O)c2ccc(OC)c(OC)c2)cc1 448647 BLYCAFFURMKTNW-QGZVFWFLSA-N 301.342 2.548 0 50 DFAA O=C(CSc1nc2ccccc2[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 101331617 HCPVRENOBXLPIP-MJVIPROJSA-N 301.415 2.960 0 50 DFAA C[C@H](CCCO)NC(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 246187378 HSVWRMWVLKQPNF-HSMVNMDESA-N 308.397 2.909 0 50 DFAA Cc1cccc(C)c1OCCCN(C)C(=O)c1cc(N)ccn1 55225814 ACZZSERBKPOTMS-UHFFFAOYSA-N 313.401 2.822 0 50 DFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](c3ccccc3)C2)C1 246842063 BDTHSAWIHTZPBR-OAGGEKHMSA-N 301.386 2.894 0 50 DFAA C[C@@H](c1ccc(C(=O)NCCc2c[nH]cn2)o1)N1CCCCC1 55153144 XQHBYMNZUFERNA-ZDUSSCGKSA-N 316.405 2.522 0 50 DFAA CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cccnc2S)C1 137054503 WBZYWNPBYMHVJP-LLVKDONJSA-N 322.430 2.564 0 50 DFAA CC(=O)c1cccc(OCc2cc(C(=O)NCC(C)C)n[nH]2)c1 67588721 ULFFIJJIMTXOPJ-UHFFFAOYSA-N 315.373 2.577 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc2c1OCCO2 248611605 XOFHIPOYWKVBAU-CFVMTHIKSA-N 317.385 2.676 0 50 DFAA CCc1cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)ccn1 67878594 FEOUROJXFRTIPV-UHFFFAOYSA-N 310.401 2.789 0 50 DFAA Cc1ccc(CN2CCC(C(=O)NCc3cccnc3)CC2)cc1 20102875 VXWKMKOVVKGWBW-UHFFFAOYSA-N 323.440 2.918 0 50 DFAA O=C(Nc1sccc1C(=O)NC1CC1)c1ccc(Cl)cn1 119382436 WFMOFMZWJBLHFU-UHFFFAOYSA-N 321.789 2.941 0 50 DFAA COc1ncc(C(=O)Nc2cc(C3CC3)nc(C)n2)cc1Cl 253416495 ICNDJQIMQPQDDQ-UHFFFAOYSA-N 318.764 2.972 0 50 DFAA FC(F)(F)CN1CCOC[C@@H]1c1nc(-c2ccsc2)no1 252489916 KEWOTDXTRKASEE-SECBINFHSA-N 319.308 2.734 0 50 DFAA O=C(O)Cc1cc(Br)c(O)c(Br)c1 1566328 WZHLZXHHXUHDDU-UHFFFAOYSA-N 309.941 2.544 0 50 DFAA biogenic C/C(=C\C(=O)N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1 229781971 SPQCDDPPVFCYBG-DCVVVBLRSA-N 302.393 2.972 0 50 DFAA CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](c1nccs1)C1CC1 230091979 MGFMBUFPNATOFM-RDBSUJKOSA-N 323.462 2.955 0 50 DFAA CC(C)(CN1CCO[C@@H](c2cccnc2)C1)N1CCCCC1 215713760 LWXOUFIZPKZMFY-QGZVFWFLSA-N 303.450 2.719 0 50 DFAA Cc1cscc1NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 123439100 QDIUWMZQHHSFDO-UHFFFAOYSA-N 309.435 2.779 0 50 DFAA O=C(Nc1ccc2[nH]nnc2c1)c1cc(F)c(F)c(F)c1F 153956727 APZVBQXWDRXAKL-UHFFFAOYSA-N 310.210 2.767 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)n1 332294104 JSHBVPHTHYQWJE-ZDUSSCGKSA-N 314.389 2.612 0 50 DFAA O=C(Cc1ccncc1)NC[C@H](c1ccccc1)N1CCCCC1 215531589 BEZHQMVNPBDBCV-LJQANCHMSA-N 323.440 2.968 0 50 DFAA COCCC[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 77520639 QXBYTFVJKXYELL-INIZCTEOSA-N 311.447 2.798 0 50 DFAA Cc1cnc([C@H](C)NC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)o1 332846079 HEBKQDLPPLESPW-YNEHKIRRSA-N 307.394 2.643 0 50 DFAA O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCCOC1 332826405 KGSUTZYZKAGKBY-UTUOFQBUSA-N 308.344 2.833 0 50 DFAA NC(=O)CC[C@H]1CCCN(c2nccc(C3CCCC3)n2)C1 77357476 OHCYIZKTNIXGMH-CYBMUJFWSA-N 302.422 2.616 0 50 DFAA CCn1cnnc1NC(=O)c1ccc(Cl)c2cccnc12 241720940 QTNXYBYMBINPCG-UHFFFAOYSA-N 301.737 2.752 0 50 DFAA COCCOC(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 72167469 NHPOQGBQLFPPMQ-OAHLLOKOSA-N 307.390 2.962 0 50 DFAA Cc1ccc(CN(C)C(=O)c2ccc(C(=O)O)c(C)n2)s1 262946374 BXDPQTZANDMEBK-UHFFFAOYSA-N 304.371 2.730 0 50 DFAA CC(=O)N(C)[C@@H]1CCN(C(=O)c2oc3c(F)cccc3c2C)C1 77488322 SHUPPYOMWVWPAK-GFCCVEGCSA-N 318.348 2.573 0 50 DFAA CN1CCC[C@H](NC(=O)Cc2cscn2)c2ccccc21 615996479 ZJKCQAJZGGPUNT-AWEZNQCLSA-N 301.415 2.773 0 50 DFAA O=C(NCCc1ncc[nH]1)c1ccc2cccc(Cl)c2n1 426693670 FUFSYWZYIPDXKL-UHFFFAOYSA-N 300.749 2.584 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)c2ccccc21 177470166 LDCPQPVAECDATD-WBVHZDCISA-N 323.348 2.515 0 50 DFAA C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 229219794 HNORXKKNZQNNBZ-GOEBONIOSA-N 324.428 2.567 0 50 DFAA CCO[C@H](C)CNC(=O)c1cc(C)nc2cc(OC)ccc12 426517818 JJMCSWZYAZCJPW-GFCCVEGCSA-N 302.374 2.707 0 50 DFAA O=C(NCCC1(O)CCCC1)c1ccc(-c2cncnc2)cc1 426623175 FZDSXBSGHCVWBB-UHFFFAOYSA-N 311.385 2.569 0 50 DFAA O=C(C[C@H]1CCOC1)NCCc1cccc(C(F)(F)F)c1 426374136 GOPVXOOGTAAEEU-GFCCVEGCSA-N 301.308 2.791 0 50 DFAA c1cnc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)nc1 91907896 XKJBZJBWYAFJHS-INIZCTEOSA-N 320.400 2.500 0 50 DFAA Cc1ccnc([C@@H](NC(=O)c2cn3ccsc3n2)C2CC2)c1 97635143 YQFMIENHFONJRH-AWEZNQCLSA-N 312.398 2.980 0 50 DFAA c1ccc(-c2ccnc(NC[C@@H]3COc4ccccc4O3)n2)nc1 96147926 MGWHULAAJMAJAO-CYBMUJFWSA-N 320.352 2.791 0 50 DFAA CC(C)CC[C@H](C)NC(=O)Cn1cc(Br)cn1 298671433 IOPUTBZSRBLJSS-JTQLQIEISA-N 302.216 2.587 0 50 DFAA CCOc1ccc([C@@H](C)NC(=O)CCc2ccnn2C)cc1F 534635066 CVARNMWQUGHQGM-GFCCVEGCSA-N 319.380 2.768 0 50 DFAA CCCc1nc(CNC(=O)c2ccn(C(F)F)n2)cs1 534656660 OXAGTCYJLIOBAR-UHFFFAOYSA-N 300.334 2.617 0 50 DFAA CN(Cc1ccc2ccccc2n1)C(=O)NCCCCCO 534589615 JODATIOPCDUWEK-UHFFFAOYSA-N 301.390 2.539 0 50 DFAA Cc1cnc(-n2ncc(C(=O)O)c2C)nc1-c1cccs1 299799494 GSNDLNMGMDMNRG-UHFFFAOYSA-N 300.343 2.706 0 50 DFAA Cc1nc(CCNC(=O)C[C@@H](C)n2ccnc2C)sc1C 299777224 KDPPTUVDIBYOAT-SNVBAGLBSA-N 306.435 2.575 0 50 DFAA CN1CCC[C@@H](NC(=O)Nc2cc3c(cc2Cl)CCC3)C1=O 685940233 VCAKSIUXBYXFPS-CYBMUJFWSA-N 321.808 2.571 0 50 DFAA O=C(NCC1CCN(Cc2cncs2)CC1)c1cccs1 952983954 XPJZALBGELLSRE-UHFFFAOYSA-N 321.471 2.847 0 50 DFAA c1ccc2nc(N3C[C@H]4CC[C@@H](C3)N(CC3CC3)C4)cnc2c1 1565527864 UVCGGBFJDYMPFW-HOTGVXAUSA-N 308.429 2.940 0 50 DFAA CN(C(=O)CN)[C@@H](c1ccccc1)c1ccc(F)cc1Cl 170046656 LIWREKZQEMYVCS-INIZCTEOSA-N 306.768 2.986 0 50 DFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN[C@@H](C)C1 170048349 ZZMUXLQROJCOGR-NSHDSACASA-N 301.415 2.552 0 50 DFAA O=C(NC[C@@H]1COCCO1)N1CCC[C@H]1CC1CCCCC1 170601386 PMPFYBCJUCKODF-JKSUJKDBSA-N 310.438 2.546 0 50 DFAA Oc1cccc(CNc2ccn(-c3ncccc3F)n2)c1Cl 645169292 PDQHTHNKWCKDPD-UHFFFAOYSA-N 318.739 3.378 0 50 DFAA CC1(C)[C@H]2CCCN(C(=O)c3ccc(S(C)(=O)=O)cc3)[C@H]1C2 650848190 TVFBVKQBVAWWHF-ZFWWWQNUSA-N 321.442 2.741 0 50 DFAA NCCc1nc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cs1 194786654 PSFHUJGYTMNLPJ-LBPRGKRZSA-N 321.833 2.715 0 50 DFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)c1cc(C2CC2)on1 653332655 GNYIVPNZGRLHGR-CHWSQXEVSA-N 312.325 2.595 0 50 DFAA COC[C@H](C)N(Cc1cnn(C)c1)Cc1cc(F)ccc1F 1506406840 PANPGDNGKLFWOI-LBPRGKRZSA-N 309.360 2.735 0 50 DFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cccc(Cl)c3)CCN12 1529114240 NLBJYPALJSFECG-JKSUJKDBSA-N 322.836 2.665 0 50 DFAA Cc1nn2c(NC(=O)CCC3CCCCC3)csc2nc1=O 1529155416 SDDNRBJNGAYYOG-UHFFFAOYSA-N 320.418 2.758 0 50 DFAA CCC[C@H]1COC[C@H]2CN(Cc3cccc(F)c3F)CCN12 1529113816 JUDMJGVSGJSPJH-LSDHHAIUSA-N 310.388 2.650 0 50 DFAA Cc1c(Cl)cc(C(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)cc1Cl 1772711567 DMSGEXOCVDVPMG-GBIKHYSHSA-N 300.185 2.755 0 50 DFAA CCc1ccc(CN2CCC(CCC(=O)NCCOC)CC2)o1 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XBKZURQRJQSUNR-UHFFFAOYSA-N 309.373 2.595 0 50 DFAA Cc1ccc(NC(=O)CN2CCC(=O)Nc3ccccc32)cc1 118846391 JVKQBXMBEGIJOW-UHFFFAOYSA-N 309.369 2.782 0 50 DFAA CC1(C)CN(Cc2nc(CC(F)(F)F)no2)[C@@H]1[C@@H]1CCCO1 329768393 DRJGWMJOQFJYNT-JOYOIKCWSA-N 319.327 2.564 0 50 DFAA CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 2538914 QXVPOGYCXMJHRE-UHFFFAOYSA-N 316.304 2.956 0 50 DFAA Cc1noc(CNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)n1 354526238 NPLLIOORBSNGRP-UHFFFAOYSA-N 324.262 2.808 0 50 DFAA CC1=NN(C(=O)c2ccc(C)c(C)c2)[C@](O)(C(F)(F)F)C1 4179012 YHQVUFJVNZBMBW-CYBMUJFWSA-N 300.280 2.776 0 50 DFAA O[C@@]1(CN2CCCCC2)CCN(Cc2ccc(Cl)s2)C1 77421711 SCKYVZBEPXGUIM-OAHLLOKOSA-N 314.882 2.824 0 50 DFAA CC(C)n1ncnc1CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 331361913 ZRAOTZXMTFLBLO-MNOVXSKESA-N 318.343 2.844 0 50 DFAA Cc1cccc(C)c1NCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 153247915 KTZDEOZWLTVYES-QGTPRVQTSA-N 314.429 2.789 0 50 DFAA FC(F)Oc1cccc([C@H]2CN(CCn3cccn3)CCO2)c1 127332783 DFSRVTDZAKQKPA-OAHLLOKOSA-N 323.343 2.558 0 50 DFAA CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 448660945 MHOGKTWTCXXEOY-YWPYICTPSA-N 309.431 2.656 0 50 DFAA CC(C)(C)c1ncc(C(=O)N2CCC([C@@H]3CCNC3)CC2)s1 377755673 JSJWCVAQLRYZLE-CYBMUJFWSA-N 321.490 2.902 0 50 DFAA CC1(C)COc2c(C(=O)N3CC[C@]4(CCCOC4)C3)cccc21 375339118 WJPDLZGIMAALMM-LJQANCHMSA-N 315.413 2.999 0 50 DFAA C=CC(=O)NCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 159198777 RERYFWMQXRSQST-AWEZNQCLSA-N 306.793 2.696 0 50 DFAA Cn1cc(Br)c(CN[C@@H]2CCc3ccc(O)cc32)n1 690735397 CVQGOKVRGXWSGU-CYBMUJFWSA-N 322.206 2.665 0 50 DFAA CN1CCCC[C@H]1CCNC(=O)c1ccc(-c2ccncc2)nc1 71315579 CBWCOXBSEBBQDT-KRWDZBQOSA-N 324.428 2.748 0 50 DFAA Nc1nccc(-c2ccc(C(=O)N3C[C@H]4CCC[C@H](C4)C3)cc2)n1 426373600 JSJPOMVJGLJOOK-OKILXGFUSA-N 322.412 2.988 0 50 DFAA CC[C@@H](CNC(=O)N1CCCO[C@H](C)C1)Oc1ccccc1C 176910055 YDGKAIMCKCJVKP-CVEARBPZSA-N 320.433 2.973 0 50 DFAA CC1(C)CN(C(=O)c2cccn3cnnc23)C[C@@H]1c1ccccc1 426726898 OIDPKLHRZZFLOD-MRXNPFEDSA-N 320.396 2.995 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)NCC(C)(C)CN(C)C)c1 426433534 DEBUMOJOVLXUSF-HNNXBMFYSA-N 320.481 2.550 0 50 DFAA O[C@H](c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2)C1CC1 221435397 PVQJBRQLTOLPMY-QTWIXLPOSA-N 309.413 2.856 0 50 DFAA CCc1nnc(NCC2CCN(CCc3ccccc3)CC2)o1 91645710 LFKNOYCHCLJTOC-UHFFFAOYSA-N 314.433 2.999 0 50 DFAA CCC1=NO[C@H](CNC(=O)c2cnc(C)nc2-c2ccccc2)C1 426621601 JAYAULYUTXGQJE-HNNXBMFYSA-N 324.384 2.737 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)on1 91602606 RIVBPQMUYDZDAG-CYBMUJFWSA-N 319.409 2.519 0 50 DFAA Cc1ccc(C(=O)N(C)Cc2noc(C3CC3)n2)n1C(F)F 426414663 OWTYVKXMZNFBPF-UHFFFAOYSA-N 310.304 2.724 0 50 DFAA CCc1cccc(OCCCN(C)C(=O)C2CCOCC2)c1 97527373 QPRHAGRMVJOZDS-UHFFFAOYSA-N 305.418 2.903 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1N 91952259 KQHNHWPHQKTFQG-KBPBESRZSA-N 315.442 2.929 0 50 DFAA Cn1ccnc1[C@H](Nc1nccc(-c2ccccn2)n1)C1CC1 97655356 DEFACTHSLSEFBZ-OAHLLOKOSA-N 306.373 2.835 0 50 DFAA C[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@@]1(O)C1CCC1 91830041 JBVWJFZKFIBXAM-YJYMSZOUSA-N 314.429 2.668 0 50 DFAA CC[C@@]1(C(=O)O)CCCN(C(=O)CCc2ccccc2OC)C1 91444630 JSBZRJWKEHLQQD-GOSISDBHSA-N 319.401 2.731 0 50 DFAA COCCn1ccnc1[C@@H]1CCCN(c2cc(C)ccn2)C1 95498673 SBWAXWKAJPDGSA-OAHLLOKOSA-N 300.406 2.617 0 50 DFAA O=C(c1scnc1C1CCCC1)N1CCN2CCC[C@@H]2C1 184800486 NUUQABRIPRUHAC-CYBMUJFWSA-N 305.447 2.721 0 50 DFAA CC(=O)N[C@@H](C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 534652381 JETDMMJDLYLAOB-LBPRGKRZSA-N 317.410 2.954 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)CCc2ccc(N(C)C)cc2)C1 584899166 QYISJVNIZAGFBD-QGZVFWFLSA-N 318.461 2.960 0 50 DFAA CC(=O)[C@@H]1[C@@H](c2ccccc2F)c2c(noc2C)C[C@]1(C)O 584904447 RYOXSGBQXZYRKQ-BBWFWOEESA-N 303.333 2.766 0 50 DFAA O=C(NCc1ccc2nsnc2c1)c1cnc2ccccc2n1 670446615 WKSRMBKKALHONE-UHFFFAOYSA-N 321.365 2.565 0 50 DFAA CC(C)(C)n1nc(-c2ccccc2)nc1CCCn1cncn1 670451369 KWBFGMSANPQHBE-UHFFFAOYSA-N 310.405 2.924 0 50 DFAA CNC(=O)C[C@@H]1CCN(Cc2cccc(OCC(C)C)c2)C1 670461990 LYLWDHZBNCVZFT-INIZCTEOSA-N 304.434 2.679 0 50 DFAA CCC(=O)Nc1cccc(OCC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)c1 1565515301 GIUUDZODPOVJCY-WWGRRREGSA-N 316.401 2.719 0 50 DFAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@H]1C=CCN1 952873132 GXGBVLZLIPPNMR-OAHLLOKOSA-N 313.401 2.590 0 50 DFAA CN(C)C1CCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 170623217 RWZDZSOYHPQLGO-UHFFFAOYSA-N 319.405 2.752 0 50 DFAA COc1ccc2c(c1)C[C@@H](NC[C@H]1CCc3nccn3C1)CC2 275613916 REFIKHXSUACGSU-PBHICJAKSA-N 311.429 2.601 0 50 DFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2ccsc2)nn1 276258282 ARMFMPMUMUJSRP-UONOGXRCSA-N 320.462 2.841 0 50 DFAA Fc1ccc(Cl)c(CN2CCC(Cn3ccnn3)CC2)c1 189268160 DLUDXUDEUQEIMJ-UHFFFAOYSA-N 308.788 2.983 0 50 DFAA CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CC[C@@H]1N 647003237 RGZOYCOZDUPUNH-QAPCUYQASA-N 300.446 2.694 0 50 DFAA CC1(C)C[C@H](NCc2ncc[nH]2)CCN(C(=O)OC(C)(C)C)C1 710366896 JJCSEHCYIWPIOH-CYBMUJFWSA-N 322.453 2.925 0 50 DFAA C[C@@H]1[C@H](O)CCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1 654166490 BCJWTSJTCHCKSC-BDJLRTHQSA-N 316.788 2.997 0 50 DFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccc(C(F)F)cc1F 655544845 TZNMUSBQQVELLC-UBHAPETDSA-N 313.275 2.841 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccon2)CCO1 669181874 PVQCAPMXDLGJTN-INIZCTEOSA-N 300.358 2.516 0 50 DFAA C[C@H](Cc1ccc(F)cc1Cl)NCC1(O)CCOCC1 585087377 DBQLONYZUUECMA-LLVKDONJSA-N 301.789 2.541 0 50 DFAA OCC[C@@H](Nc1cc(N2CCCC2)ncn1)C1CCCCC1 585082478 YAVRIXMNGNNFLV-OAHLLOKOSA-N 304.438 2.820 0 50 DFAA C[C@@H]1C[C@@H](C(=O)NCc2cc(O)nc(S)n2)CC(C)(C)C1 585130541 TYFMCPBGNHZKGM-NXEZZACHSA-N 309.435 2.550 0 50 DFAA CC[C@H](NC(=O)CSc1nncn1C)c1ccc(C)c(C)c1 1506400305 CEADUZSWNQYSSE-AWEZNQCLSA-N 318.446 2.792 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2ccc(NC(C)=O)cc2Cl)C1 1506416980 HJMRJUHQSGSKRB-GFCCVEGCSA-N 310.781 2.549 0 50 DFAA CN(C)c1nc(NC[C@H]2CCCN(C3CCCC3)C2)ncc1F 1529098791 KWORUIPRXSMTGE-CYBMUJFWSA-N 321.444 2.748 0 50 DFAA Cc1occc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709964929 PQKCDNDWTZAYLR-IRXDYDNUSA-N 315.369 2.692 0 50 DFAA Fc1ccc(CN2CCC[C@H](NCc3ncc[nH]3)C2)c(Cl)c1 111392387 LLDMYQWDEFPMMK-AWEZNQCLSA-N 322.815 2.956 0 50 DFAA O=C(CNC1CC1)N1CCC[C@H](COc2ccccc2Cl)C1 237925403 RNNQFXRQKREIMP-ZDUSSCGKSA-N 322.836 2.709 0 50 DFAA CN(Cc1nc(-c2ccccc2)no1)[C@H]1CCCc2c1cnn2C 135638329 RZTVRFJUJFGQFI-HNNXBMFYSA-N 323.400 2.980 0 50 DFAA CCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 250705844 WDAVNFVFHOYWEZ-GZBFAFLISA-N 310.438 2.796 0 50 DFAA COc1ncccc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 253394523 ZYLUHQIXARLRFZ-BBRMVZONSA-N 320.339 2.676 0 50 DFAA C[C@@H]1OC(=O)N[C@H]1c1nc(-c2ccc(Br)cc2)no1 585133502 JXAMIHOZSROVIY-IMTBSYHQSA-N 324.134 2.669 0 50 DFAA CN(C)Cc1ccc(-c2noc([C@@]34CCCN(CC3)C4)n2)cc1 952962954 AOAYSHKCOVXWNJ-SFHVURJKSA-N 312.417 2.536 0 50 DFAA C[C@@H](Nc1ncnc2cc(Br)ccc12)c1nc[nH]n1 1875333099 APDCNSJWBLLKDH-SSDOTTSWSA-N 319.166 2.684 0 50 DFAA C[C@@H](c1ccco1)N(C(=O)N1CCN(C)CC1)c1ccccn1 1875379560 WFJGCROYKCBUBX-AWEZNQCLSA-N 314.389 2.610 0 50 DFAA Cc1ccc(N2CCC[C@H](Nc3cc(C(F)F)ncn3)C2)nn1 892348516 KVOGRDWYESEURR-NSHDSACASA-N 320.347 2.594 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)s1 238000020 SUMHECRCMPFUPM-UWVGGRQHSA-N 311.428 2.947 0 50 DFAA CN(CCc1ccccc1)C1=CC(=O)N(c2ccccc2)C1=O 2325826239 VMHLXGHDUSPLDJ-UHFFFAOYSA-N 306.365 2.618 0 50 DFAA COc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 285181 LVGPCKYLFFFSIU-UHFFFAOYSA-N 302.418 2.786 0 50 DFAA O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 553045 DARXOOJRTADIPS-NSHDSACASA-N 318.354 2.884 0 50 DFAA OCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2541925 LFXGGWQGSIEWLR-UHFFFAOYSA-N 308.337 2.803 0 50 DFAA CC(C)(CSc1ccccn1)NS(=O)(=O)c1ccccc1 2708591 LZAUSSNBJFNXEA-UHFFFAOYSA-N 322.455 2.931 0 50 DFAA C[C@@H](O)CNCCCOc1ccc(Br)cc1Cl 2880716 HEWUCOCVVMTRDA-SECBINFHSA-N 322.630 2.842 0 50 DFAA O=C(c1c[nH]c2ccncc2c1=O)N1CC[C@@H](c2ccccc2)C1 342245243 QHSSLIRCEGMHEY-CQSZACIVSA-N 319.364 2.553 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cccs1 7310072 JJOKJAGWZWHFIL-NSHDSACASA-N 312.416 2.879 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7475111 VXIUAUUOZSBWPU-CYBMUJFWSA-N 316.401 2.733 0 50 DFAA Cc1ccc(F)c(NC(=O)CCC(=O)NCc2ccncc2)c1 55036237 QRCBMOURNUKAPS-UHFFFAOYSA-N 315.348 2.564 0 50 DFAA COc1cc(-c2n[nH]c(-c3cccnc3)n2)cc(OC)c1OC 8048414 XZTAYQJLCZUMHG-UHFFFAOYSA-N 312.329 2.560 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccn2)c1 8714957 WEDYFINXQZLJGO-UHFFFAOYSA-N 306.387 2.762 0 50 DFAA O=C(Cn1nnc2ccccc21)Nc1nc2ccccc2s1 8744399 WEVKKXOGMLBKAR-UHFFFAOYSA-N 309.354 2.680 0 50 DFAA Cc1csc([C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)n1 111211884 HCVKWXTUYJUONE-MRXNPFEDSA-N 316.426 2.960 0 50 DFAA CC[C@H](NC(=O)CCC(=O)NC1CCCC1)c1ncccc1C 55199854 VSJXKJGHVQZMHT-HNNXBMFYSA-N 317.433 2.796 0 50 DFAA CC(=O)Nc1cccc(-n2c(CCCO)nc3ccccc32)c1 65407329 PKBGYKDACXTZFH-UHFFFAOYSA-N 309.369 2.909 0 50 DFAA C[C@@H](CC1=CCN(C)CC1)NC(=O)CSc1ccccc1 67642005 OGZLAWFPMWOJPF-AWEZNQCLSA-N 304.459 2.935 0 50 DFAA O=C(c1ccnnc1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 253416398 QGVPPHMKTOPZRD-LSDHHAIUSA-N 315.373 2.578 0 50 DFAA Cc1ccc(Cl)cc1CNC(=O)CNC(=O)c1cccs1 252536321 IDXOGNUJLADJLG-UHFFFAOYSA-N 322.817 2.756 0 50 DFAA Cc1cc(C)n(CCN2CCO[C@@H](c3ccc(F)cc3)C2)n1 68804653 WSHDHTBKSRABQU-QGZVFWFLSA-N 303.381 2.713 0 50 DFAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1ccncc1 12596301 GUTRFHIMVIGNRE-QGZVFWFLSA-N 301.434 2.856 0 50 DFAA CC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1 1690586 UUAGPGQUHZVJBQ-UHFFFAOYSA-N 316.397 2.755 0 50 DFAA biogenic,in-vitro CN1Cc2ccc(CN(C)Cc3ccccc3C(=O)O)cc2C1 216537477 QHQWXIIOLOHJDA-UHFFFAOYSA-N 310.397 2.962 0 50 DFAA CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(NC)ccc1Cl 425263091 TWWYQIAFHCVLOA-NSHDSACASA-N 324.730 2.767 0 50 DFAA Cc1ccc(N2C[C@@H](n3ccnc3-c3[nH]cnc3C)CC2=O)cc1 77488288 BYLCYCZSMMBUBX-HNNXBMFYSA-N 321.384 2.868 0 50 DFAA Cc1ccc(C)c(OC[C@H](O)CN2CCOC3(CCC3)C2)c1C 154226088 DGAPFNJCOYKEDA-QGZVFWFLSA-N 319.445 2.606 0 50 DFAA O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@@H]1c1ccccn1 77376050 VJEOXZLXXIWZRP-MRXNPFEDSA-N 322.368 2.897 0 50 DFAA CCCn1ccnc1-c1cccc(N2C(=O)[C@H](C)N(C)C2=O)c1 373093154 RYMIBJKQYXHLPB-LBPRGKRZSA-N 312.373 2.747 0 50 DFAA COc1cc(CN2C[C@@H]3CNC[C@@H]3C2)c(Cl)cc1OC(C)C 215815180 RSASCEDVDXRGPG-OKILXGFUSA-N 324.852 2.787 0 50 DFAA O=C(NCc1ccc2ccccc2c1)c1ccc(C(=O)O)nc1 238023643 ACYVXPSOKJLJRO-UHFFFAOYSA-N 306.321 2.863 0 50 DFAA COc1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCO1 284607858 IFOQHYFYUKUAIJ-WBVHZDCISA-N 303.402 2.798 0 50 DFAA Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)o1 265254385 HEBAXPVKJUEOEO-CYBMUJFWSA-N 300.314 2.659 0 50 DFAA C[C@@H](C(=O)N(C)Cc1noc2c1CCCC2)n1cc(Cl)cn1 426422857 ISTWXJVTDRYTIS-JTQLQIEISA-N 322.796 2.623 0 50 DFAA O=C([C@H](c1cccnc1)N1CCCC1)N1C[C@H]2CC=CC[C@H]2C1 97528960 VSLQSGCLAKYQST-KSZLIROESA-N 311.429 2.643 0 50 DFAA Cc1ccccc1[C@@H](C(=O)N(C)CCC1(O)CCCC1)N(C)C 95383355 COYFVBYGYXTHMX-KRWDZBQOSA-N 318.461 2.751 0 50 DFAA Cc1ccc(Br)cc1OCCCN1CCOCC1 230532891 IYVUCCUWMRVXSS-UHFFFAOYSA-N 314.223 2.859 0 50 DFAA CCCn1ncc(C(=O)N2CCCC[C@@H]2c2ccn(C)n2)c1C 92096532 QUHPEXOUAYDTDW-MRXNPFEDSA-N 315.421 2.702 0 50 DFAA CN1CCCC[C@H]1CCC(=O)N1CC(Oc2ccccc2F)C1 95364666 WCODWCGUHJUJBL-AWEZNQCLSA-N 320.408 2.680 0 50 DFAA c1ccc2c(c1)C[C@@H](CN1CCC(c3ncon3)CC1)CCO2 95524997 DMOPBXFRPGHOLK-AWEZNQCLSA-N 313.401 2.890 0 50 DFAA Cn1cc(CN2CC[C@H](N3CCCC3)C2)c(-c2ccccc2)n1 97480247 HRLJLNBFLBDISZ-SFHVURJKSA-N 310.445 2.757 0 50 DFAA CC[C@@]1(CO)CCCN(C(=O)Cc2cc(F)c(C)cc2F)C1 295813893 ULHFWJOWHZIVHJ-QGZVFWFLSA-N 311.372 2.827 0 50 DFAA CC(C)(CN[C@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 182682585 KDXXYTZGJASONI-AWEZNQCLSA-N 315.866 2.784 0 50 DFAA O=C(NCCCOC1CCCC1)[C@@H]1CCCN2CCCC[C@H]12 534634175 USOCMUIPSFIPMM-IAGOWNOFSA-N 308.466 2.716 0 50 DFAA O=C(O)[C@@H]1COCCN(Cc2ccc(Cl)c(Cl)c2)C1 700462444 SWIBDCFVBYBQAN-JTQLQIEISA-N 304.173 2.526 0 50 DFAA Cc1nccn1CCCNC(=O)Nc1ccnn1[C@H](C)C(C)C 299755920 FEALKJGQKMQYDM-CYBMUJFWSA-N 318.425 2.817 0 50 DFAA COC(=O)N[C@H](C)c1nc(C(C)C)nn1-c1cccc(F)c1 824156259 ZWRYWQZOJDKUNY-SNVBAGLBSA-N 306.341 2.947 0 50 DFAA Cc1nc2ccc(C(=O)N[C@H](C)c3nncn3C(C)C)cc2o1 670452066 PETABBJYLVQYPX-SNVBAGLBSA-N 313.361 2.800 0 50 DFAA C[C@H]1CN(C(=O)CCc2cccc(F)c2)C[C@]1(O)C1CCC1 1565512971 PNQUKTNQGQTUKU-SCLBCKFNSA-N 305.393 2.768 0 50 DFAA O=C(Cc1ccncc1Cl)N1CCOC2(CCCCC2)C1 408517983 QVEJEXPRNAKNOF-UHFFFAOYSA-N 308.809 2.839 0 50 DFAA CC[C@H](C)Oc1cc(CNC(=O)c2cncc(F)c2)ccn1 170592311 VGTMJROPDAJXPK-NSHDSACASA-N 303.337 2.723 0 50 DFAA CCc1nc(CNCc2ccnn2-c2ccccc2OC)co1 1474149412 MTHCKPWRZCYCBQ-UHFFFAOYSA-N 312.373 2.721 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2F)c1 170672188 GKPSPKSCTHUJDN-CABCVRRESA-N 313.328 2.944 0 50 DFAA O=C(Cc1cccs1)N[C@H]1CCCO[C@@H]1c1ccncc1 275321632 CSLUMNUFNBAVNK-GOEBONIOSA-N 302.399 2.722 0 50 DFAA CC(C)=CC(=O)NC[C@H](C)N(CC(F)F)C(=O)C=C(C)C 585079642 VMDCJSLZKCDSQR-LBPRGKRZSA-N 302.365 2.517 0 50 DFAA C[C@H](CC(=O)N[C@H](C)c1cc(O)n[nH]1)Cc1cccc(F)c1 585127496 BPLUXZVKCSADIL-WDEREUQCSA-N 305.353 2.701 0 50 DFAA C[C@@]1(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)CCNC1 638604702 HOQUVDWXBNZBCT-OAHLLOKOSA-N 312.335 2.590 0 50 DFAA Cc1nc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c(C)o1 645958824 PBKSDBVCUZCCDL-HOCLYGCPSA-N 300.358 2.799 0 50 DFAA C[C@H]1CN(C(=O)CCc2ccon2)C[C@H](c2ccccc2)O1 646756430 RDKCHQIRQGEEPN-XJKSGUPXSA-N 300.358 2.596 0 50 DFAA O=C(Cc1cc(F)ccc1F)NCc1cccc(C(=O)O)c1 195541961 WVRALAQKEWCAID-UHFFFAOYSA-N 305.280 2.522 0 50 DFAA Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C(=O)O)o2)cc1 195551752 ZUNCVIADACXKMC-GFCCVEGCSA-N 301.342 2.989 0 50 DFAA Cn1cc([C@@H]2OCCC[C@H]2CNc2cn(C)nc2C2CC2)cn1 657472224 JSAWCLJWKMWRQS-SUMWQHHRSA-N 315.421 2.611 0 50 DFAA CCc1nc(C)cc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1 672160288 PDDGSZNZEQIOHB-UHFFFAOYSA-N 324.428 2.876 0 50 DFAA Cc1cn2nc(N[C@@H]3CCN(Cc4ccsc4)C3)ccc2n1 780059696 QWTQAOYXQRLZJC-CQSZACIVSA-N 313.430 2.786 0 50 DFAA COc1nn(C)cc1CNC(=O)N[C@@H](C)c1cc(C)sc1C 1615057091 UWFLPZUJEBWMEC-JTQLQIEISA-N 322.434 2.667 0 50 DFAA CCOCCCC(=O)N1CCC(c2ccnc(Cl)n2)CC1 1615415414 QEVILYMEMGGFGZ-UHFFFAOYSA-N 311.813 2.653 0 50 DFAA Cc1nn(C(C)C)cc1CN1CCc2occc2[C@@H]1C(=O)O 1615617592 DNPURXGYYWUEJV-OAHLLOKOSA-N 303.362 2.549 0 50 DFAA COCc1nc(C(=O)Nc2cncc(C(F)(F)F)c2)cs1 1615615266 NUGONCGMLFUPEZ-UHFFFAOYSA-N 317.292 2.956 0 50 DFAA O=C(O)c1nccnc1N1CC[C@H](c2cccc(Cl)c2)C1 1506422962 BOMHIJSROZDHAF-NSHDSACASA-N 303.749 2.822 0 50 DFAA OCCc1nnc(NCc2cccc(Cl)c2Cl)s1 630958190 MSKXRECVTFYLIY-UHFFFAOYSA-N 304.202 2.992 0 50 DFAA C[C@H]1CCCN(C(=O)c2csc(Br)c2)[C@H]1CN 226267003 SCVPUNYMFIAUQH-WPRPVWTQSA-N 317.252 2.710 0 50 DFAA C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1F 120893235 NCWSBJNUISJDFP-RKDXNWHRSA-N 303.736 2.994 0 50 DFAA CCc1ccc(NC(=O)N2CCC3(CC2)CN(C)CCO3)cc1 1775982943 VQRUKHMUAZXETH-UHFFFAOYSA-N 317.433 2.578 0 50 DFAA CC(C)c1noc(C2CCN(c3ncnc4cc[nH]c34)CC2)n1 1772810720 PCTIGVHXBFTGNA-UHFFFAOYSA-N 312.377 2.848 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)no1 11878248 HSANZQANNODWAJ-AWEZNQCLSA-N 303.337 2.839 0 50 DFAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3)C2)c1 12028512 LXCOFECGXREDHN-MRXNPFEDSA-N 313.401 2.524 0 50 DFAA Cc1nc2cc(C(=O)NCCN3CCc4ccccc43)ccc2[nH]1 12143771 CJXRRLLTDVTWHE-UHFFFAOYSA-N 320.396 2.664 0 50 DFAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1ccc(-n2ccnc2)cc1 1857693610 DUEOHQHBUDNVIL-IRXDYDNUSA-N 313.401 2.686 0 50 DFAA CCCn1[nH]c(=NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1C 1875242498 VVTURTYCWQJAAU-UHFFFAOYSA-N 312.373 2.766 0 50 DFAA CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc21 408512968 KBVUTIBGNWOKAC-CQSZACIVSA-N 314.772 2.978 0 50 DFAA O=C(Nc1ccc(F)c(Cl)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 219629823 XUKVLLMZTCYHIQ-QQXRRDQMSA-N 309.724 2.941 0 50 DFAA O=C1CC[C@@]2(C(=O)N3C[C@H]4CC[C@H]3C4)Sc3ccccc3N12 110568271 KFVYIRDSMGSDJY-PRXAMGSTSA-N 314.410 2.626 0 50 DFAA CCSc1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)cn1 229890556 MWHSJLTVTMBVKQ-KBPBESRZSA-N 305.447 2.550 0 50 DFAA COc1cnc(NC(=O)N[C@@H]2CCc3ccccc3C2)s1 332145514 MNZRNPFMIHEAMD-GFCCVEGCSA-N 303.387 2.831 0 50 DFAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1CCc2cc(F)ccc21 669355497 RUVLBCUWDOWBTD-HNNXBMFYSA-N 301.365 2.522 0 50 DFAA O=C(c1cc2c(cn1)OCCC2)N(c1ccccc1)[C@@H]1CCOC1 253427782 ARKVOHCNGKFGMA-MRXNPFEDSA-N 324.380 2.842 0 50 DFAA Cc1nc(CNC(=O)OC2CCCCC2)sc1CC(=O)O 952993678 PIAHVMQODQCBQS-UHFFFAOYSA-N 312.391 2.638 0 50 DFAA O=C(NC12CC(C(=O)O)(C1)C2)c1ccc2[nH]c3c(c2c1)CCCC3 1875286850 JLBNERVBIPNZPC-UHFFFAOYSA-N 324.380 2.784 0 50 DFAA C[C@H]1CC2(CC[C@H]1NC1CC(C)(C)NC(C)(C)C1)OCCO2 1875298995 VNEDTUFCZDAMRF-DZGCQCFKSA-N 310.482 2.817 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2c(C)coc2C)C1 888103037 AYAGWBRJNVWYKF-KGLIPLIRSA-N 317.389 2.839 0 50 DFAA COC(=O)C[C@@H]1CN(c2ccnc(-c3ccccc3)n2)C[C@H]1C 895619027 QBYXMKKXOBOVPO-UKRRQHHQSA-N 311.385 2.779 0 50 DFAA Cc1nccn1C[C@@H](C)CNC(=O)c1cccc2sncc12 2325776095 JNSIQVCSBGGKAM-NSHDSACASA-N 314.414 2.867 0 50 DFAA CC[C@@H]1CN[C@H](c2nc(-c3ccccc3-n3cccn3)no2)C1 2325777249 ONBGONRZZNQPFG-JSGCOSHPSA-N 309.373 2.983 0 50 DFAA c1ccc2c(c1)C[C@@H](CNCc1ccnn1-c1ccncc1)CO2 850014091 UBHYOQZEIUPUGP-HNNXBMFYSA-N 320.396 2.608 0 50 DFAA COc1cc(C)c(NC(=O)[C@@H](O)c2cccc(C)n2)cc1C 2325811431 ZKPWPONJJZFUGS-INIZCTEOSA-N 300.358 2.688 0 50 DFAA O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 50630 XBLHSVDLIMTIPF-VIFPVBQESA-N 321.789 2.788 0 50 DFAA Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 337933 FSLXWOQDRSDUFK-KRWDZBQOSA-N 322.408 2.973 0 50 DFAA Brc1n[nH]c(Br)c1Br 2168426 TXQKCKQJBGFUBF-UHFFFAOYSA-N 304.767 2.697 0 50 DFAA in-vitro Cc1ccc(-c2cnc3c(N4CCC(O)CC4)nccn23)cc1C 2356155312 BNDHDSDHFNVUMT-UHFFFAOYSA-N 322.412 2.974 0 50 DFAA COc1ccc(CNC(=O)C(=O)Nc2ccccc2Cl)cc1 2864953 ZPZRZLSZTOCLHB-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCCNC1=O 4021833 DPWPMPRNAHEOPT-FZMZJTMJSA-N 314.351 2.895 0 50 DFAA Nc1nncn1C(=O)c1ccccc1SCc1ccccc1 6728917 CVZXOHBMKYCWDE-UHFFFAOYSA-N 310.382 2.841 0 50 DFAA CCc1noc(C)c1C(=O)Nc1cc(C(=O)OC)ccc1C 8249297 LHWUGYBNVWIUOB-UHFFFAOYSA-N 302.330 2.893 0 50 DFAA COc1ccc(Cl)cc1NS(=O)(=O)N1CCCCCC1 8714300 JJGADGCSDOZELH-UHFFFAOYSA-N 318.826 2.881 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCCO2)ccc1NC(=O)c1ccco1 8910055 WPBXXKYMQAFOFU-CQSZACIVSA-N 314.341 2.958 0 50 DFAA Cc1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)oc1C 225500402 XJXYYYUKIQRXGB-DOMZBBRYSA-N 308.328 2.878 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ncc(F)cc2F)c1 55042364 JMKIGSMQGFPPMM-LLVKDONJSA-N 305.328 2.766 0 50 DFAA COc1ccc(S[C@@H](C)C(=O)NCc2cccnc2)cc1 20457770 DHMDKYCTVFVENP-LBPRGKRZSA-N 302.399 2.887 0 50 DFAA OCC[C@H]1CN(Cc2ccccc2F)CCN1C1CCCC1 23359125 ZFGSMDJNLHNRGS-KRWDZBQOSA-N 306.425 2.637 0 50 DFAA Cc1noc(COCC(=O)N2CC[C@@H](C)CC[C@@H]2C(C)C)n1 117208039 MVKKAMMOSXAACJ-GXTWGEPZSA-N 309.410 2.568 0 50 DFAA CCn1nc(C)c([C@H](C)NC(=O)C2CCC(OC)CC2)c1C 67894454 XOVDPWVLABDMPR-QGLTVNCISA-N 307.438 2.902 0 50 DFAA CC(C)c1nccn1CCCNC(=O)c1ccc2c(c1)CCO2 67758224 SIGPDNZYEXRYLT-UHFFFAOYSA-N 313.401 2.762 0 50 DFAA C[C@@H]1C(=O)N(c2cc(-c3cccc(Cl)c3)on2)C(=O)N1C 348652646 FNEMJFWCWCGHCN-MRVPVSSYSA-N 305.721 2.782 0 50 DFAA CC(C)NC(=O)NC[C@H]1CCCN(C/C=C/c2ccco2)C1 67604762 FQIYEAXVSYYPQQ-NFBGWVBBSA-N 305.422 2.712 0 50 DFAA O=C(NCC[C@H]1CCCN(C/C=C/c2ccco2)C1)C(F)F 67867534 JQIKIYSPIOEABP-ADQTWTKMSA-N 312.360 2.776 0 50 DFAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1Cl)CC2 67756745 DNQLDZYKAZAZSX-VHSXEESVSA-N 314.763 2.927 0 50 DFAA CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 252516740 WGZIWVIDGVQGEM-ZMSDIMECSA-N 320.408 2.644 0 50 DFAA COC(=O)[C@@H](c1ccc(F)cc1)N(C)CCC1CCOCC1 120321185 NJSHMUCTFOQZGY-MRXNPFEDSA-N 309.381 2.788 0 50 DFAA Cc1ccc(-n2cnnc2)c(C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)c1 329487711 GUCWJSKUDKBFHV-NXNVCVFFSA-N 322.412 2.694 0 50 DFAA Cc1ccccc1OC1CN(Cc2ccccc2OCCO)C1 72119564 UBJDJOSQIOHCDP-UHFFFAOYSA-N 313.397 2.629 0 50 DFAA NC[C@@H](NC(=O)c1cc(-c2ccco2)on1)C1CCCCC1 155763272 MNTRUDSMIKYXPG-CYBMUJFWSA-N 303.362 2.572 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)[C@H]1Cc2ccccc2S1 73809327 NFCKDJWOBFUGMK-OAHLLOKOSA-N 302.399 2.967 0 50 DFAA CCc1ccc(-n2cnnc2)cc1-n1ccnc1[C@H]1CCOC1 77470974 NMGMOBTWFJKRDC-AWEZNQCLSA-N 309.373 2.519 0 50 DFAA CC(C)(N)C(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 71576060 BQYBJBYWKDIFCL-CYBMUJFWSA-N 310.388 2.873 0 50 DFAA N[C@@H]1C[C@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 261943351 VAENXLXRXLUVFG-SJORKVTESA-N 310.397 2.735 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)C12CCOCC2 457743661 OYMFPKYXVQEQRU-HUUCEWRRSA-N 318.417 2.596 0 50 DFAA COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)o2)c1 237326918 ZYIVGDDLHBBEOK-CYBMUJFWSA-N 315.325 2.964 0 50 DFAA CCn1cccc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)c1=O 333849103 WWDXYYTWWRXUTF-AJNGGQMLSA-N 313.401 2.544 0 50 DFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNCc2cncn2C)C1 237546059 GTPKTTACHZZFKN-AWEZNQCLSA-N 318.852 2.998 0 50 DFAA C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237582451 CLISDSSLENTREZ-GJZGRUSLSA-N 319.401 2.695 0 50 DFAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC[C@H]1c1ccccn1 215282333 UHTVNXLLNHSADB-AWEZNQCLSA-N 317.776 2.791 0 50 DFAA COc1ccc(-c2nc(CN3CCC(O)CC3)c(C)o2)c(F)c1 71779935 RHJNLZDWAJDFPW-UHFFFAOYSA-N 320.364 2.754 0 50 DFAA CC(C)(C)c1nc(CC(=O)NCCN2CCCC2(C)C)cs1 457085313 ZLGSXLHSXORKDO-UHFFFAOYSA-N 323.506 2.974 0 50 DFAA CC(C)Oc1cccc(-c2noc(C[C@H]3CCCC(=O)N3)n2)c1 288825882 CAHPDHDICWKDIZ-CYBMUJFWSA-N 315.373 2.735 0 50 DFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc2[nH]ccc2c1 97547426 TWMOYMRBHHKOEK-LJQANCHMSA-N 319.408 2.841 0 50 DFAA O=C(NCCc1cn[nH]c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 291009170 ZUBIJBFVXQWQGN-RCCFBDPRSA-N 324.428 2.930 0 50 DFAA C[C@@H](NC(=O)c1cn2ccsc2n1)c1nc2ccccc2[nH]1 91381761 GTSXRLMNQKDQTO-SECBINFHSA-N 311.370 2.763 0 50 DFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1c1cccnc1 91871273 GGHRTHLGTHPGAX-KRWDZBQOSA-N 319.364 2.900 0 50 DFAA CNC(=O)c1cccc(C[C@@H]2COc3cc(OC)ccc3C2)c1 95526575 IXNYUZZBMZSYGD-AWEZNQCLSA-N 311.381 2.849 0 50 DFAA CN1CCC[C@@H](CCC(=O)NCCc2ccc(N(C)C)cc2)C1 95357947 VLYVQYBQZGDJGW-KRWDZBQOSA-N 317.477 2.533 0 50 DFAA Cc1nc(N[C@H]2COC3(CCCCC3)C2)c2cnn(C)c2n1 95370046 CLSQESXSKBPVIS-GFCCVEGCSA-N 301.394 2.575 0 50 DFAA c1ccc([C@H]2CN(c3nccc(-c4ccccn4)n3)CCN2)cc1 97657230 PLXQIBMKHQZGKK-GOSISDBHSA-N 317.396 2.690 0 50 DFAA CC(C)(C)N1C[C@H](CNC(=O)c2sccc2Cl)CC1=O 244716042 LHHDLJSRSDDDDJ-VIFPVBQESA-N 314.838 2.778 0 50 DFAA C[C@H]1Cc2ncn(CC(=O)NOCc3ccccc3)c2C[C@H]1C 295129238 JPWXVKMZZFGPBU-UONOGXRCSA-N 313.401 2.502 0 50 DFAA CC(C)c1noc([C@@H]2CCCN(CCn3cc(Cl)cn3)C2)n1 244626813 FTFLLJSBXDSODJ-GFCCVEGCSA-N 323.828 2.923 0 50 DFAA C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2O 257345819 JVEWXTLFKFWQPU-BJBYXGJTSA-N 306.446 2.930 0 50 DFAA Cc1nc2ccc(CC(=O)NCc3cc(C4CC4)on3)cc2[nH]1 534578921 VUMOAJFXURDHOX-UHFFFAOYSA-N 310.357 2.596 0 50 DFAA Cc1ccc(S[C@H](C)C(=O)NCc2csc(N)n2)cc1 584894025 XTRNSTDTRZERCW-SNVBAGLBSA-N 307.444 2.831 0 50 DFAA CCOC(=O)c1cn(-c2cccc(Br)n2)nc1C 584907004 YXWTXVQEJJIFRW-UHFFFAOYSA-N 310.151 2.515 0 50 DFAA Cn1ccnc1CCN1CCC[C@@H](COc2cccc(F)c2)C1 670444364 OMMLQZRKDWTHFX-OAHLLOKOSA-N 317.408 2.893 0 50 DFAA COC(=O)[C@@H](Cc1cccc2[nH]ccc12)NC(=O)OC(C)(C)C 44138730 RLHGPKYPZQBQSI-CQSZACIVSA-N 318.373 2.777 0 50 DFAA in-vitro CC1(C)COc2c(C(=O)N[C@@H]3CCC[C@]3(C)CO)cccc21 408448097 ORUNBKHAQYQZNL-RDTXWAMCSA-N 303.402 2.638 0 50 DFAA COC(=O)C[C@@H]1CSCCN1[C@@H](C)c1nc2ccccc2o1 221741442 INVQZCLFRWYPHO-NWDGAFQWSA-N 320.414 2.869 0 50 DFAA C[C@@H]1C[C@H](CC(=O)N2CCN(CC(C)(C)O)CC2)CC(C)(C)C1 170622051 TXAPSWXYABNRAE-HZPDHXFCSA-N 324.509 2.754 0 50 DFAA CCCc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)n[nH]1 630327587 NQIFODZSEVLQQL-UONOGXRCSA-N 313.357 2.803 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2c(C)oc3ccccc23)n1 275540231 MQCQTDQOZQIDCX-IUODEOHRSA-N 313.357 2.741 0 50 DFAA C[C@@H](CCn1cccn1)N[C@H]1CCCO[C@@H]1c1ccncc1 275674549 VUMRSEFYHWMAQH-BHYGNILZSA-N 300.406 2.567 0 50 DFAA OCC1(Cc2ccccc2)CCN(CCc2ccncc2)CC1 277658967 DQHNUBQMZKMUSI-UHFFFAOYSA-N 310.441 2.941 0 50 DFAA CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)C1 96372371 OIQHSGKNZYLTPQ-UHFFFAOYSA-N 306.362 2.532 0 50 DFAA in-vitro CC(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1C 193843388 OTBURQAXFWVRLV-DLBZAZTESA-N 301.386 2.981 0 50 DFAA CCC(C)(C)c1ccc(CNC(=O)C2(O)CCOCC2)cc1 195567615 JXSOHPQHQYIKNJ-UHFFFAOYSA-N 305.418 2.532 0 50 DFAA CC[C@H](C)[C@H](NCc1cccc2c1OC(F)(F)O2)C(=O)O 655929683 VOQJIQKFYCLXPI-KWQFWETISA-N 301.289 2.597 0 50 DFAA Cc1ncc(CN2CCCN(c3cccc(F)c3F)CC2)cn1 660664941 NJENPLRKCCTJTN-UHFFFAOYSA-N 318.371 2.776 0 50 DFAA Cc1noc2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)ccc12 585126494 AJKZXMXYJAOTDG-WCQYABFASA-N 304.346 2.659 0 50 DFAA CCOc1ccc(CC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1 1529172467 MPORCTVDLOXZQW-WNKDZCFJSA-N 317.429 2.636 0 50 DFAA Cc1cncc(N2CCC[C@@H](c3nc(CC(C)C)no3)C2)n1 1704335348 DUURGOBXKCTESE-CYBMUJFWSA-N 301.394 2.751 0 50 DFAA Nc1cc(F)c(Br)cc1I 149856069 WRXAKIDFFKPDQR-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA in-vitro CC(=O)NCCC(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1 11662167 YKGDGNJULWYARR-INIZCTEOSA-N 320.408 2.523 0 50 DFAA O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)C1=CCCC1 12244995 VDGYTCGQTMSHQW-HNNXBMFYSA-N 321.380 2.674 0 50 DFAA CCCCN1C(=O)CC[C@H]1CCNCc1cccc(OC)c1 15000488 IZPDUEUIJPRPDQ-INIZCTEOSA-N 304.434 2.966 0 50 DFAA CN(c1ncccc1CNC(=O)[C@H]1CCOC1)C1CCCCC1 15075037 SFRYWUDNGARXGX-HNNXBMFYSA-N 317.433 2.503 0 50 DFAA O=C1C[C@H](c2noc(-c3ccoc3)n2)CN1C1CCCCC1 169762141 MVVLHBORNNJDNS-LBPRGKRZSA-N 301.346 2.978 0 50 DFAA COc1ccc(-c2nccc(N3CCC(C)(CO)CC3)n2)cc1 663802998 KXFLCBWNKQRHJU-UHFFFAOYSA-N 313.401 2.751 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@@H]2CCO[C@H]21 230084894 XIZAGJGNZMAYET-UYJHQMFVSA-N 303.377 2.859 0 50 DFAA COc1ccc(Cl)cc1CC(=O)N[C@H]1CCCC[C@H]1CO 230183723 IBZJPHDRIGDHQX-FZMZJTMJSA-N 311.809 2.558 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ncccc1O 328617783 DAKFUTSFIKIMLF-LLVKDONJSA-N 317.414 2.744 0 50 DFAA COc1ccc(/C=C/CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1 247935629 UOQPRDDIBDUXTF-JQBWTISXSA-N 301.386 2.751 0 50 DFAA Cc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1C(=O)O 16607109 YENPPOUMVKBTPR-UHFFFAOYSA-N 309.318 2.633 0 50 DFAA NC(=O)C[C@@H]1CCN(Cc2cc(Cl)cc3cccnc23)C1 367989267 PHVSWPVLDXFNRI-NSHDSACASA-N 303.793 2.586 0 50 DFAA COCC1(C(=O)N2CCO[C@@H](c3ccccc3C)C2)CCC1 375030302 JHASVAMTWOLPTA-MRXNPFEDSA-N 303.402 2.712 0 50 DFAA O=C(Nc1nccnc1C1CC1)c1ccc(N2CCCC2=O)cc1 906410882 JYULAJGTLTTYMV-UHFFFAOYSA-N 322.368 2.733 0 50 DFAA O=C(O)CN(Cc1ccccc1)c1nc(C2CC2)nc2[nH]ccc12 910395063 GFLNZEJYMFVRAJ-UHFFFAOYSA-N 322.368 2.927 0 50 DFAA O=C(NC[C@H]1CCC12CCOCC2)c1cc2ncccc2o1 828452837 XAJHEZJLHMRJOY-GFCCVEGCSA-N 300.358 2.764 0 50 DFAA Cc1ncccc1CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 829757587 FXTMLBSNUBYECD-ZDUSSCGKSA-N 310.401 2.770 0 50 DFAA CCOC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(=O)O)cc1 952884738 MMHPRZIVPVBZQW-YIONKMFJSA-N 303.358 2.557 0 50 DFAA O[C@H](COc1ccc2cc[nH]c2c1)CSc1nncs1 1875320176 JZCAIJBJTHWMRO-SNVBAGLBSA-N 307.400 2.551 0 50 DFAA Cc1cc(C(C)(C)C(=O)N=c2[nH][nH]c3cc(O)ccc23)cs1 1875314256 OXAHTBCSVYHZOB-UHFFFAOYSA-N 315.398 2.977 0 50 DFAA C=CC(=O)Nc1ccc(C(=O)NC[C@H]2OCC[C@H]2C(C)C)cc1 1875365953 XVDUFRBIBSZALQ-JKSUJKDBSA-N 316.401 2.602 0 50 DFAA O=C(NCC[C@H]1CCCC[C@H]1O)c1ccnc(-n2cccc2)c1 887556695 GODCOHZSIBUHBC-GDBMZVCRSA-N 313.401 2.543 0 50 DFAA Clc1ccc(CN2CCC[C@@H](N3CCOCC3)C2)s1 19841532 ZPIYLBOSGNMWAW-GFCCVEGCSA-N 300.855 2.698 0 50 DFAA Cc1noc(C)c1CSCC(=O)Nc1cc(F)ncc1F 1775997846 NQGIPRWWQZJSGT-UHFFFAOYSA-N 313.329 2.837 0 50 DFAA Cc1nc(NC(=O)c2cnc(Nc3ccccc3)nc2)ns1 2100554980 JNNCVOKZSQEYLJ-UHFFFAOYSA-N 312.358 2.632 0 50 DFAA CC[C@@H](C)c1nccc(=NC[C@H]2CC(=O)Nc3ccccc32)[nH]1 2325775181 HWQADYLLUPDMIM-CHWSQXEVSA-N 310.401 2.950 0 50 DFAA COC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 98511 TWIOLJOWHKKHGX-UHFFFAOYSA-N 314.366 2.606 0 50 DFAA COc1ccccc1CNCc1cc(OC)c(O)c(OC)c1 172122 AGEUHPIALYLEBM-UHFFFAOYSA-N 303.358 2.708 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(O)cc2)N1 281781 OHWUOYUHWJMINH-JKSUJKDBSA-N 308.337 2.562 0 50 DFAA biogenic CC[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)OC 619633 IPCVLLMSMUQAKL-SECBINFHSA-N 307.400 2.988 0 50 DFAA OCC[C@@H]1CCCCCN1Cc1nc(-c2ccsc2)no1 342059392 KHFYTXCXZSIBBL-ZDUSSCGKSA-N 307.419 2.925 0 50 DFAA OC[C@@]12COC[C@@H]1CN(Cc1ccc(-c3ccccc3)cc1)C2 2356144682 ITRVFPAHBOXDAF-PMACEKPBSA-N 309.409 2.794 0 50 DFAA Cn1cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c2ccccc21 2356163929 XKJLAVLCWUJIQY-HAQNSBGRSA-N 300.358 2.552 0 50 DFAA Brc1ccc(OCc2nn3cnnc3s2)cc1 4839003 ZOXMAPNKHHFGPP-UHFFFAOYSA-N 311.164 2.527 0 50 DFAA CC1=C(C)C[C@@H](C(=O)NCCc2ccccc2)[C@H](C(=O)O)C1 4992600 JSSJOPLRIITHQE-HZPDHXFCSA-N 301.386 2.793 0 50 DFAA COc1ccc(-c2noc([C@H](C)NC(=O)c3ccco3)n2)cc1 6678014 YTASPYOLAKXJCT-JTQLQIEISA-N 313.313 2.829 0 50 DFAA CCn1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 6715747 PLHOWOICUCMNRJ-UHFFFAOYSA-N 318.808 2.519 0 50 DFAA COc1cccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c1 412043487 WLBAIKGKLROTPJ-MRXNPFEDSA-N 302.418 2.672 0 50 DFAA O=C(O)[C@@H]1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1 8732558 YTGBPTAQSRHFOK-MRXNPFEDSA-N 309.365 2.752 0 50 DFAA O=C(c1c[nH]cc1-c1ccccc1)N1CCCO[C@@H](CF)C1 412440598 IHTMSRPVQRSWBG-AWEZNQCLSA-N 302.349 2.882 0 50 DFAA CC(C)CCN1CCN(Cc2ccc(F)cc2)C[C@H]1CCO 104397098 USDRMAQWTNGSMN-GOSISDBHSA-N 308.441 2.740 0 50 DFAA C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCC[C@H]1CCCCO1 248410145 GSJDHKBEDRPGKA-QGPMSJSTSA-N 305.418 2.617 0 50 DFAA COC[C@@H]1[C@H](NC(=O)Nc2ccc(C)c(Cl)c2)[C@H]2CCO[C@@H]12 1074585895 DCFWOSCWAZATEO-QHSBEEBCSA-N 324.808 2.820 0 50 DFAA Cc1nccnc1-c1cccc(-c2ccn(CCN(C)C)n2)c1 23619639 NRDNPFSKEDMLDY-UHFFFAOYSA-N 307.401 2.877 0 50 DFAA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2cnccn2)C1 128158991 DBSDIVZNAKKHBZ-QWHCGFSZSA-N 309.291 2.808 0 50 DFAA CCn1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)n1 2091470 FDNOEDLZKLFEBG-UHFFFAOYSA-N 305.206 2.851 0 50 DFAA COc1ccc(OC)c([C@H]2CCN(Cc3coc(C)n3)C2)c1 77287356 LFCFYGCRLKNXAA-ZDUSSCGKSA-N 302.374 2.990 0 50 DFAA C[C@H]1CN(Cc2ncnn2C(C)(C)C)[C@@H](c2ccccc2)CO1 253392766 UZNMJCIOAZVOPJ-GOEBONIOSA-N 314.433 2.995 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(CCCOc2ccccc2)C1 328634266 TXRKLCXVLKEFKQ-HZPDHXFCSA-N 317.389 2.609 0 50 DFAA Cc1cc2c(cc1NC(=O)N1CCOCC3(CCC3)C1)OCO2 253419486 NVTZDPDOVBMQAV-UHFFFAOYSA-N 318.373 2.758 0 50 DFAA O=c1[nH]c(Cn2ccc(=O)c3sccc32)cc2ccccc12 154577465 CWZDNFDBKMROKJ-UHFFFAOYSA-N 308.362 2.953 0 50 DFAA Cc1cccnc1CN1CCC[C@H](C(=O)Nc2ncccc2C)C1 376150975 PLUZYAQLFUQIBQ-INIZCTEOSA-N 324.428 2.944 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc(Cl)c[nH]2)c1 282404308 HSGFHXYUZCPABQ-WFASDCNBSA-N 320.776 2.625 0 50 DFAA Cc1noc(CCC(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)n1 369803581 BKUJXOYOVFPVNL-QGZVFWFLSA-N 317.364 2.640 0 50 DFAA Cc1ccoc1C(=O)N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71750106 GMSPDENKOJYEFH-HNNXBMFYSA-N 318.417 2.697 0 50 DFAA CCN(C)C[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 174471942 NOGWSAXUMDBCDZ-LBPRGKRZSA-N 304.365 2.986 0 50 DFAA CC(=O)c1ccc(N2CC[C@](O)(c3ccc(F)cc3)C2)nc1 241338670 MCWBLERUHUZMNW-QGZVFWFLSA-N 300.333 2.521 0 50 DFAA CCC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)N(CC)C2)c1 241588565 PECDLPVSGJYNBS-LLVKDONJSA-N 322.792 2.740 0 50 DFAA O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1CCCOC1 48831771 YOWAHFAMGNMUBJ-SNVBAGLBSA-N 318.200 2.915 0 50 DFAA COc1ccc(-c2nnc(NC(=O)c3ccncc3)s2)cc1 136351883 ZUSCIANAZMTEGX-UHFFFAOYSA-N 312.354 2.861 0 50 DFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 47977522 HDFYPVQIZTVCPE-NSHDSACASA-N 309.797 2.672 0 50 DFAA COC(C)(C)CNC(=O)N1CCN(c2ccccc2C)C[C@H]1C 426551726 ANCLAIMNYCAVEI-OAHLLOKOSA-N 319.449 2.640 0 50 DFAA Cc1nc2ccc(NC(=O)Nc3cc([C@@H]4C[C@@H]4C)n[nH]3)cn2n1 289307433 AFLCEOVSMODANM-GZMMTYOYSA-N 311.349 2.528 0 50 DFAA COc1ccc(OC)c([C@@H](C)Nc2nc(N)nc(C)c2C)c1 91536665 SIZPNUJGQWLCOR-LLVKDONJSA-N 302.378 2.866 0 50 DFAA Cc1cncnc1C1CCN(c2nccc(C(F)(F)F)n2)CC1 95370775 USVIAWHJNKSEJY-UHFFFAOYSA-N 323.322 2.978 0 50 DFAA Cc1ccc2nc(C(=O)N(C)Cc3cc(C4CC4)on3)cn2c1 92021417 WNNHIXBFRCFNLT-UHFFFAOYSA-N 310.357 2.780 0 50 DFAA Cc1ccc(F)cc1CN1CCCN(Cc2cnn(C)c2)CC1 180111494 UJLVAFWIIXJSBL-UHFFFAOYSA-N 316.424 2.576 0 50 DFAA CO[C@@H]1Cc2ccccc2N(Cc2ccc3c(c2)NC(=O)CO3)C1 294762663 SFNADCCWAWDTSB-OAHLLOKOSA-N 324.380 2.595 0 50 DFAA CC1(C)C[C@@]1(C(=O)N[C@H]1CC[C@H](O)CC1)c1ccc(F)cc1 244652011 GYEWRGNKYYENHW-MPGHIAIKSA-N 305.393 2.913 0 50 DFAA Cc1ccc(NCCCNC(=O)c2ccnc(C(C)C)n2)nc1 244858547 VNEZBLOBKKQHDN-UHFFFAOYSA-N 313.405 2.535 0 50 DFAA Cc1nc(CN(C)CCC(=O)NCc2cccs2)cs1 244691730 JIDKFAXZZPUSCV-UHFFFAOYSA-N 309.460 2.651 0 50 DFAA COCCN1C[C@H](Cc2ccc3cc(OC)ccc3c2)CC1=O 252478845 AVXMFCXBHVTBMJ-OAHLLOKOSA-N 313.397 2.886 0 50 DFAA O[C@@H](CNC1CCN(C2CC2)CC1)c1cc(F)cc(Cl)c1 298203390 YFGBVPFDSHPGRT-INIZCTEOSA-N 312.816 2.729 0 50 DFAA Cc1nc(N)sc1C(=O)NCc1nc(C(C)(C)C)cs1 534585442 YWTWYRCRCVFQCW-UHFFFAOYSA-N 310.448 2.718 0 50 DFAA O=C(C[C@@H]1CCCOC1)NC1(CN2CCCC2)CCCCC1 584900102 CXJBZOYRYYJBOA-INIZCTEOSA-N 308.466 2.718 0 50 DFAA Cc1nnccc1C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1 1358352394 CFTKKBKYOGHWIA-QGZVFWFLSA-N 323.396 2.585 0 50 DFAA O=C(c1cc2n(n1)CCC[C@H]2O)N1CCC[C@@H]1C1CCCC1 1361885895 QJDQEGJEIRWBGC-GDBMZVCRSA-N 303.406 2.505 0 50 DFAA CCCN(CCC)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1C 952975214 MKNSJOCHWZNKIG-AWEZNQCLSA-N 319.449 2.804 0 50 DFAA CCc1ncoc1C(=O)N(C)c1cccnc1N1CCCC1 1457365925 JSNBNBJYJWKNLK-UHFFFAOYSA-N 300.362 2.509 0 50 DFAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)c1ccnnc1 885938886 FPYXZGHFHFJITD-MRXNPFEDSA-N 313.357 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C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1csc(CN)n1 237573583 RPJLJUXCABPRJT-JQWIXIFHSA-N 319.405 2.759 0 50 DFAA CCn1nnc(C)c1CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 449030688 SIBKQWJSZQJCOW-QGZVFWFLSA-N 318.396 2.627 0 50 DFAA COCC1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCC1 263541583 RDQXWFJGUIVYSU-UHFFFAOYSA-N 303.314 2.886 0 50 DFAA C=CC(=O)N(CC)CC(=O)N1CC[C@H]1c1ccc(Cl)cc1 900858821 NXPLXOPDKBRBKP-AWEZNQCLSA-N 306.793 2.648 0 50 DFAA C[C@H]1CN(Cc2cc(C(=O)O)co2)CCN1c1ccccc1 903957615 OYJCSFUWBDSSSZ-ZDUSSCGKSA-N 300.358 2.689 0 50 DFAA CN(C(=O)c1cc(Cl)c(Cl)n1C)[C@@H](CO)C(C)(C)C 128492464 OAMUVCJXVHEIEA-JTQLQIEISA-N 307.221 2.811 0 50 DFAA O=C(Nc1cc(Cl)cc2cccnc12)N[C@H]1C[C@H](C(=O)O)C1 871652947 GVOFADNROJLPLA-HOMQSWHASA-N 319.748 2.873 0 50 DFAA c1ccc(-c2cnc(-n3ccnc3)nc2)c(OC[C@H]2CCOC2)c1 952878526 GCVKJSQFKKJOLF-AWEZNQCLSA-N 322.368 2.745 0 50 DFAA C[C@@H](NCc1ncccc1O)c1cccc(N2CCCC2=O)c1 952845776 QYIUXQSSBKRUIL-CYBMUJFWSA-N 311.385 2.765 0 50 DFAA COCC1CC(n2nnnc2N2CCC[C@@H]2c2ccsc2)C1 952878411 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O=C(O)c1ccc(-n2nnnc2SCc2ccccc2)cc1 268659 KTBJFGYKICDIPM-UHFFFAOYSA-N 312.354 2.653 0 50 DFAA Cc1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)s1 420153 PYHVKGSDLJSQGK-VIFPVBQESA-N 305.428 2.916 0 50 DFAA C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)nnn2C 470121 RCKWBXHABBHXNH-LLVKDONJSA-N 307.357 2.951 0 50 DFAA CC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O 613856 MJYZZNFHUAQBFG-UHFFFAOYSA-N 317.172 2.703 0 50 DFAA Cc1ccnc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)c1 2356143441 HWRDFBYIWKNVEB-LJQANCHMSA-N 323.444 2.730 0 50 DFAA CCOC(=O)[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 4393238 URGGIWHBTZTAKC-AWEZNQCLSA-N 315.373 2.512 0 50 DFAA CC(=O)Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1 4998873 ZZRIYIYLKZORRP-UHFFFAOYSA-N 324.380 2.713 0 50 DFAA CCCc1nnc2sc([C@@H]3COc4ccccc4O3)nn12 6662013 FZDFZYHJXLWXSM-NSHDSACASA-N 302.359 2.651 0 50 DFAA CCCNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 6714514 ZYICKHYSPBFFTR-UHFFFAOYSA-N 315.339 2.947 0 50 DFAA CCc1ccc([C@H]2CCCCN2C(=O)c2cnn(C)c2OC)o1 412124226 IIVOOWNQQGCSQO-CQSZACIVSA-N 317.389 2.952 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740030 DZPFEWGWAYBWQF-CYBMUJFWSA-N 318.417 2.918 0 50 DFAA c1ccc(-c2cn(CC3CCN(Cc4ccoc4)CC3)nn2)nc1 20538723 JAZHGCJKTBHGAM-UHFFFAOYSA-N 323.400 2.845 0 50 DFAA COc1c(F)ccc(C(=O)NCCNc2ccncc2C)c1F 67675370 IYEXLGNGGRHSGP-UHFFFAOYSA-N 321.327 2.519 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1N[C@H]1CCOC(C)(C)C1 248622347 DCRUCYIANAPRHT-BFHYXJOUSA-N 312.454 2.979 0 50 DFAA O=C(Nc1cccc(-n2cccc2)c1)N1CCN2CCC[C@H]2C1 252533048 FUBXWAQQQCMPIZ-KRWDZBQOSA-N 310.401 2.789 0 50 DFAA O=C([C@H]1C[C@@H]1c1cccc(O)c1)N1CCO[C@H]2CCCC[C@H]21 253428012 FZROGWXMTLPSHE-TWMKSMIVSA-N 301.386 2.666 0 50 DFAA Cc1cccc(-n2cc(CN3CC(N4CCCCC4)C3)cn2)c1 215318490 UCBTWIKZSRBLGT-UHFFFAOYSA-N 310.445 2.851 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC[C@H](OCC3CC3)C2)n1 330314219 PBMFWJMLPWLFBX-HNNXBMFYSA-N 318.417 2.900 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)N(C)C2CCCCC2)C1 6738349 JBNHALMYMAAVFP-QGZVFWFLSA-N 316.401 2.979 0 50 DFAA CC(=O)N[C@@H]1CN(C(=O)c2cc(C)c(C)cc2C)C[C@H]1C(C)C 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Cc1ccc(C)c(-n2nc(COc3ccccc3)nc2CCO)c1 828773643 WUAOWZIJXJYOLA-UHFFFAOYSA-N 323.396 2.998 0 50 DFAA Cc1n[nH]c(C)c1CN[C@H]1CCCN(Cc2cccs2)C1 952980404 XDISTVNDCFTECP-AWEZNQCLSA-N 304.463 2.842 0 50 DFAA CC1=C(C(=O)N2CCCC[C@@H]2CCc2ccccn2)OCCO1 952973239 YPKFGDAPIZFULR-MRXNPFEDSA-N 316.401 2.674 0 50 DFAA CC1CCC(=CC(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 170633033 JZXUOKCQUOMKFE-UHFFFAOYSA-N 308.422 2.858 0 50 DFAA Cc1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]c1=O 205828994 DNIANPHZSCJPCI-UHFFFAOYSA-N 314.366 2.637 0 50 DFAA COC(=O)c1ccccc1NC(=O)c1coc(C2CCC2)n1 193746637 NZWQJGWMHYDJBO-UHFFFAOYSA-N 300.314 2.981 0 50 DFAA COC1([C@@H](C)NC(=O)c2ccc(N3CCC(C)=N3)cc2)CCC1 665662122 FAYJYLXUESKPMK-CQSZACIVSA-N 315.417 2.960 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CC2(CCC2)[C@H]1c1cccnc1 585130782 BVNRQTFOBQAZSY-QGZVFWFLSA-N 310.401 2.718 0 50 DFAA O=C(NOC1CCCC1)[C@H]1CCCCN1C(=O)c1ccccc1 775274834 AWTWSKCOBLXQSG-MRXNPFEDSA-N 316.401 2.672 0 50 DFAA C/C=C/CN1CCC[C@@H](CNC(=O)c2cccc(OC)c2F)C1 1506422262 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Cc1nc([C@@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C2)n[nH]1 333998192 PLSXHKKMVUSUOE-GFCCVEGCSA-N 304.781 2.705 0 50 DFAA O=S(=O)(N[C@@H]1C[C@H]2CCC[C@H]21)c1cccc2scnc12 907968142 WEYCHMFZIZPCDN-GMTAPVOTSA-N 308.428 2.763 0 50 DFAA O=C(c1cc2ncccc2o1)N1CCCC2(CCOCC2)C1 933497453 ADLNHFMHQNIOPT-UHFFFAOYSA-N 300.358 2.861 0 50 DFAA CCc1nccn1[C@@H](C)CC(=O)NC1CC(Cl)(Cl)C1 952993433 NGCYSTRNXCAXCF-VIFPVBQESA-N 304.221 2.849 0 50 DFAA CCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H](C)O2 952995581 QIOPKDARFPTCGH-INIZCTEOSA-N 316.445 2.679 0 50 DFAA CC[C@H](NC(=O)NC[C@H]1CNC(=O)C1)c1ccc(C(C)C)cc1 1875266017 ROOFPHVLOAZQIU-CJNGLKHVSA-N 317.433 2.696 0 50 DFAA CCc1ccc2c(Cl)c(C(=O)NS(C)(=O)=O)sc2c1 1875391030 ANSZSRIUMVUOOJ-UHFFFAOYSA-N 317.819 2.807 0 50 DFAA NC(=O)c1cc2c(nc1NC(=O)c1ccc(Cl)cc1)CCC2 1875388048 LDOZSBNVIROWHP-UHFFFAOYSA-N 315.760 2.575 0 50 DFAA CC(C)c1nccc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)n1 896684049 YDWPZRXDWIPZEQ-LBPRGKRZSA-N 309.435 2.512 0 50 DFAA C[C@@H]1CCC[C@H](C2OCCO2)N1C(=O)[C@@H]1C[C@H]1c1ccco1 1775998544 FUEAWDSXSKZGPD-AAVRWANBSA-N 305.374 2.526 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 68851 HUNBERVSMWFRIQ-BONVTDFDSA-N 318.373 2.665 0 50 DFAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21 207098456 BRJQLOLDSUYOHU-MRXNPFEDSA-N 305.381 2.627 0 50 DFAA O=c1cc(Nc2cnn(C[C@H]3CCCO3)c2)c2ccccc2o1 2325784031 VSDPBQNSCIJHOG-CYBMUJFWSA-N 311.341 2.912 0 50 DFAA c1cc(CCCn2cc(-c3ccc4n[nH]cc4c3)nn2)ccn1 2325869230 DFBIYYLUPHEYDZ-UHFFFAOYSA-N 304.357 2.849 0 50 DFAA Nc1ccc(Cl)c(C(=O)N=c2cc(-c3ccccc3)[nH][nH]2)c1 2325869907 AZQBMNBEOXGFEH-UHFFFAOYSA-N 312.760 2.987 0 50 DFAA C[C@H](c1noc([C@@H]2OCCO[C@@H]2C(F)(F)F)n1)c1ccco1 867050979 TUIFTWSGYFEAMA-SFGNSQDASA-N 318.251 2.833 0 50 DFAA CCn1cc(CN2CCCN(Cc3ccc(C)o3)CC2)cn1 121617284 AGLFVFZJKQHWNA-UHFFFAOYSA-N 302.422 2.512 0 50 DFAA COc1ccccc1N1CCN(C(=O)c2cccs2)CC1 67808 OQQADZFNFNHIJO-UHFFFAOYSA-N 302.399 2.719 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1OC 249130 HBPVJAGUZUKLKW-UHFFFAOYSA-N 311.334 2.644 0 50 DFAA CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC 421550 RSAUGBNJBLIMHT-UHFFFAOYSA-N 321.402 2.629 0 50 DFAA CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)NC(=O)[C@@H]12 794556 KTFNUCOMIDBYEJ-MUZJZNNISA-N 303.361 2.730 0 50 DFAA CC1=CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)OCC1 2356141185 XKXIEBKQOILHLX-UHFFFAOYSA-N 304.390 2.562 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1Cl 4542584 YJKAQGXREWXJRG-CYBMUJFWSA-N 324.764 2.540 0 50 DFAA COc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)c(OC)c1 4825603 OIUWNPCMYATEJR-UHFFFAOYSA-N 315.325 2.963 0 50 DFAA CC(C)n1c(SCC(=O)NCc2ccco2)nnc1C1CC1 6698782 ZNFQBWJANJAZOG-UHFFFAOYSA-N 320.418 2.738 0 50 DFAA CC1=C(C)C[C@H](C(=O)NCc2ccccc2F)[C@@H](C(=O)O)C1 6741728 PEJVPQAWKNAIBF-KBPBESRZSA-N 305.349 2.889 0 50 DFAA COc1cccc(NC(=O)CSc2nnc(C(C)C)n2C)c1 6742401 JCJKCOQEBRLVLP-UHFFFAOYSA-N 320.418 2.678 0 50 DFAA CC[C@@H](COC)NC(=O)CCC(=O)Nc1c(C)cc(C)cc1C 55132678 BNTRBQHDMZKYSS-HNNXBMFYSA-N 320.433 2.872 0 50 DFAA Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccccc1)N(C)C 22203760 AHVYZRCZSBDFGN-QGZVFWFLSA-N 307.401 2.930 0 50 DFAA CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc(F)cc1 20026334 BKPAVWMACJMYOK-IAGOWNOFSA-N 301.365 2.569 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccccc1F 248116868 IZGXXZREXZVUFV-DLBZAZTESA-N 304.409 2.844 0 50 DFAA CCCCOc1ccc(OCCCN2CCN(C)CC2)cc1 20652671 NMFLDYXJNWKSHY-UHFFFAOYSA-N 306.450 2.882 0 50 DFAA COc1c(Cl)cc(Cl)cc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074513753 GZBJJWYHRKESBS-XXILOJSOSA-N 316.184 2.909 0 50 DFAA COc1ccccc1Oc1ncccc1CN[C@@H](C)CN(C)C 67847310 MVURSXUBLNRDPT-AWEZNQCLSA-N 315.417 2.922 0 50 DFAA CC(C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1 67676014 FQVZCSSYXSSRKD-AWEZNQCLSA-N 307.413 2.745 0 50 DFAA Cc1nc(-c2cc(C)[nH]c(=O)c2)n(-c2cccc3cccnc23)n1 67846933 AGCPUXBHLINCBF-UHFFFAOYSA-N 317.352 2.788 0 50 DFAA CC1(NC(=O)CSC[C@H]2CCCCO2)Cc2ccccc2C1 120798983 UDAXNNYTNKRDQG-MRXNPFEDSA-N 319.470 2.962 0 50 DFAA Cc1c(CN(C)Cc2cc(F)ccc2-n2cccn2)cnn1C 215284697 MLGYXXHMHORBQG-UHFFFAOYSA-N 313.380 2.685 0 50 DFAA CCCc1ccc(CN2CCCN(c3ncccn3)CC2)o1 215019110 WKWCMNISRFWFPE-UHFFFAOYSA-N 300.406 2.734 0 50 DFAA COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1C(=O)N1CCC1(C)C 328605641 OIXNPYBAICSNDR-RDTXWAMCSA-N 301.386 2.746 0 50 DFAA CC(C)C(=O)NCCNc1cc(-c2ccccc2)nc2ccnn12 72165738 OWLCZDSIAJVWMU-UHFFFAOYSA-N 323.400 2.580 0 50 DFAA CC(C)(C)n1nc(C(=O)N2CCC[C@@](C)(O)C2)cc1C1CC1 152780010 PXFNSSQGROFAJU-QGZVFWFLSA-N 305.422 2.503 0 50 DFAA CCCOc1ccccc1NC(=O)N1CC[S@@](=O)CC[C@@H]1C 240902759 IVENALRXPRJWPL-XMHCIUCPSA-N 324.446 2.850 0 50 DFAA O=C(NC1CCN(Cc2cncs2)CC1)c1ccccc1 123045941 MZAPMGREJWFJQO-UHFFFAOYSA-N 301.415 2.538 0 50 DFAA CCOC(=O)[C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 39351816 JFARWSFILDKQQJ-KRWDZBQOSA-N 305.374 2.988 0 50 DFAA CCCc1cc(C(=O)NCCCNc2ccc(C)cn2)no1 77471346 UZOMMCSFXDJEDO-UHFFFAOYSA-N 302.378 2.563 0 50 DFAA CC[C@](C)(NC(=O)c1ccc(C(=O)O)c(C)n1)c1nccs1 262739529 AEHYFIZOGRIZNB-HNNXBMFYSA-N 319.386 2.600 0 50 DFAA C[C@H](NC(=O)C1(c2ccccc2)CCCCC1)c1ncnn1C 219452019 YOORGEIGSNNDRH-AWEZNQCLSA-N 312.417 2.894 0 50 DFAA O=C(C1CCNCC1)N1CCC[C@@H](Oc2ccccc2Cl)C1 237927691 RWIDRAIZDGQORM-CQSZACIVSA-N 322.836 2.709 0 50 DFAA Cc1cc(F)ccc1CN1CC[C@@](O)(CN2CCCCC2)C1 77489361 ZWAPTUXLWKBVOB-GOSISDBHSA-N 306.425 2.557 0 50 DFAA Cc1ccoc1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 612433255 VYQBGFFAZOCFGA-KRWDZBQOSA-N 312.413 2.863 0 50 DFAA CC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ncc(C)[nH]1 426621633 KNJLBOIVQBPPGZ-OAHLLOKOSA-N 300.406 2.661 0 50 DFAA CC[C@@H](NC(=O)c1cc(Cl)c[nH]c1=O)c1cccc(C)n1 223234981 VOERVMZJZBXPLL-GFCCVEGCSA-N 305.765 2.613 0 50 DFAA O=C1CC2(CCC2)C(=O)N1Cc1cc2c(cc1Cl)OCCO2 333547602 OTGQWDCMMMRNCY-UHFFFAOYSA-N 321.760 2.540 0 50 DFAA Cc1cccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1C 239274670 ANPKQPKERIPPSY-WKLICJCCSA-N 322.408 2.726 0 50 DFAA Cc1ncc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)s1 91486796 MTEPCKJNHCDOCA-AWEZNQCLSA-N 317.414 2.668 0 50 DFAA N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cc(CN3CCCCC3)cs1)C2 426712578 FJFFXQYPVAUDMP-VQFNDLOPSA-N 319.518 2.903 0 50 DFAA O=C(NCc1ccc2nsnc2c1)N1CCC(F)(F)CC1 426597180 FVRSBLCGIKTIBM-UHFFFAOYSA-N 312.345 2.632 0 50 DFAA CCCc1nc(C(=O)N[C@H](C(=O)O)c2ccc(F)cc2)cs1 95527788 MVJIWHLFCDYIBW-ZDUSSCGKSA-N 322.361 2.790 0 50 DFAA CCCN(Cc1nccn1C)C(=O)c1ccccc1-c1ncc[nH]1 97730208 ZRDZUUTUJYWPBP-UHFFFAOYSA-N 323.400 2.863 0 50 DFAA O[C@H]1CCCOC12CCN(c1cccc(C(F)(F)F)n1)CC2 91364602 VZZHLHYEZPDHOM-LBPRGKRZSA-N 316.323 2.611 0 50 DFAA CC(C)NC1CCN(c2nc(-c3ccc(F)cc3)no2)CC1 623932504 QOCPZVMFTBPLCL-UHFFFAOYSA-N 304.369 2.843 0 50 DFAA CN(C(=O)c1ccncc1Cl)[C@H]1CCO[C@@H]1c1cccnc1 299740928 CFXNQTVFHSQLNH-LSDHHAIUSA-N 317.776 2.732 0 50 DFAA CCN(C)C(=O)c1ccc(NCCCOC2CCCC2)nc1 534583269 SUWQYKYYTDNEDG-UHFFFAOYSA-N 305.422 2.935 0 50 DFAA CC(C)[C@@H](O)C(=O)N(CCc1ccccc1)Cc1cccnc1 285162232 CASBFRGYNFKBSV-GOSISDBHSA-N 312.413 2.670 0 50 DFAA CCc1nc(C)c(C(=O)NCc2nc3ccccc3n2CC)o1 299757793 NJGKOKIPQJIDPQ-UHFFFAOYSA-N 312.373 2.845 0 50 DFAA O=C(Nc1ccccc1OC[C@H]1CCCO1)C1CCOCC1 827763904 UWQDJENGJWKFIE-CQSZACIVSA-N 305.374 2.610 0 50 DFAA Cc1cc2c(cc1C)N(C(=O)c1cc(-c3ccn(C)n3)on1)CC2 1337230125 WYMOFCXKRAJRJY-UHFFFAOYSA-N 322.368 2.895 0 50 DFAA Cc1ccoc1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 952980928 LKJBXZSHRSGLMC-GFCCVEGCSA-N 318.339 2.982 0 50 DFAA CCNC(=O)c1ccc(NC(=O)c2ncoc2C)cc1Cl 952963070 FIEFOWLPUMUJTK-UHFFFAOYSA-N 307.737 2.638 0 50 DFAA O=C(Cc1c[nH]c2ccc(Cl)cc12)NC1(CO)CCCC1 305841050 RBKIJQXUDAUKRW-UHFFFAOYSA-N 306.793 2.785 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 268948213 QXUIKFHOJFDUNE-GFCCVEGCSA-N 305.349 2.571 0 50 DFAA COC[C@H](C)C(=O)Nc1n[nH]c2ccc(C(F)(F)F)cc12 170609877 IAOLXEMHLNMWHS-ZETCQYMHSA-N 301.268 2.803 0 50 DFAA CC(C)(F)CNC(=O)c1cc(Br)cc(C(=O)O)c1 630306044 WEPPSQXMGDGCNW-UHFFFAOYSA-N 318.142 2.625 0 50 DFAA O=C(c1cc(F)cc(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](C1)N2 170048534 CWZWRPWHOLOVMI-OLZOCXBDSA-N 316.298 2.811 0 50 DFAA O=C(c1cccc2ncccc12)N1CCc2ccccc2[C@@H]1CO 170084145 CAQZTXTWYVDROI-IBGZPJMESA-N 318.376 2.967 0 50 DFAA Cc1ccc(N2N=C(c3ccc4c(c3)CCC4)CCC2=O)nn1 634600509 JWFQLBLUPWIILK-UHFFFAOYSA-N 306.369 2.805 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1 656248655 GWGGMTKIZMSOTR-AWEZNQCLSA-N 303.358 2.606 0 50 DFAA CN1C(=O)CCc2cc(NC(=O)N[C@H](C(F)F)C3CC3)ccc21 585119808 VETYYHPMWFKUKQ-AWEZNQCLSA-N 323.343 2.761 0 50 DFAA CC[C@@H](C)Oc1cc(-c2nc(CCC[S@](C)=O)no2)ccn1 585120475 PBTKJLOKZNJWTR-XFNZEKPQSA-N 323.418 2.620 0 50 DFAA Cc1ccc(/C=C/C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)o1 585123756 DNJWVRQYYPUADV-HQZHTGGTSA-N 315.251 2.880 0 50 DFAA O=C(c1ccc(F)c2cccnc12)N1CC[C@H](O)C12CCCC2 1615590988 RYTFRAVJBPFWIB-HNNXBMFYSA-N 314.360 2.894 0 50 DFAA CCn1ccnc1CN(CCC(=O)O)Cc1cccc(C)c1 1615553935 UYWOBJAOBYMWND-UHFFFAOYSA-N 301.390 2.688 0 50 DFAA CCc1nc(CN(Cc2cnn(-c3ccccc3)c2)C2CC2)n[nH]1 1506398591 SOJUSNDXPIPUAQ-UHFFFAOYSA-N 322.416 2.717 0 50 DFAA CC(C)[C@@H]1N(C(=O)CCc2nc(C3CC3)no2)CC12CCC2 1615578963 VADULSYJHFSLJA-HNNXBMFYSA-N 303.406 2.917 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(O)cc3C)C[C@@H]21 1704299583 RJUMFZPAPNIKKF-RPVQJOFSSA-N 303.402 2.714 0 50 DFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(-c3cccnc3)cc1)C2 1772710633 YWLBRTKRYMQXCK-WOJBJXKFSA-N 324.424 2.579 0 50 DFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 13745583 MCPHYBYJVAECQD-GFCCVEGCSA-N 322.430 2.598 0 50 DFAA c1ccc(CCN2CN=C(Nc3nc4ccccc4o3)NC2)cc1 17194567 DWOFIMUFCYMGPZ-UHFFFAOYSA-N 321.384 2.659 0 50 DFAA CCOC(=O)[C@H]1C[C@H](F)CN(C(=O)OCc2ccccc2)C1 169805791 COSJPXSPSMFHDG-KBPBESRZSA-N 309.337 2.546 0 50 DFAA CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2n1)C(=O)O 2567262 IKKVPSHCOQHAMU-CQSZACIVSA-N 316.357 2.755 0 50 DFAA in-vitro COc1cc(C(=O)N2CC[C@@H](c3nc(C)no3)C2)ccc1Cl 332088269 SYHINDIVCBJLOE-LLVKDONJSA-N 321.764 2.670 0 50 DFAA CNc1nc(C)cc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)n1 253393884 LCTDNSBVNBXVBO-SNVBAGLBSA-N 316.327 2.630 0 50 DFAA Oc1n[nH]c(CN2CCCC[C@@H]2Cc2cccc(Cl)c2)n1 585140028 JJSOTXDNBNUUDF-CYBMUJFWSA-N 306.797 2.761 0 50 DFAA Cc1cnc(C)c(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1 266695948 WSLQJYSRQPTAAR-UHFFFAOYSA-N 323.400 2.578 0 50 DFAA O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cncc(C(=O)O)c1 902040571 PTSWLKMRMCELJS-BXUZGUMPSA-N 310.300 2.934 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N1C[C@@H]2CCC[C@]2(N)C1 876985708 SODOXNJQJJSEML-ZANVPECISA-N 302.296 2.560 0 50 DFAA Cc1cc(F)ncc1CNC(=O)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 1875300613 KIUIGVXWPQDTRK-NZBPQXDJSA-N 303.381 2.717 0 50 DFAA O=C(NC[C@H](CCO)c1ccncc1)c1cccc(Cl)c1 1875321103 USDZJUCKCLZDBB-AWEZNQCLSA-N 304.777 2.631 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 1875361133 QMPYVBHWRNHYHT-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA F[C@@]1(c2ccccc2)C[C@H]1Nc1ncnc2c1nnn2C1CC1 1875392324 UBWFGGGLLKQSHY-MLGOLLRUSA-N 310.336 2.605 0 50 DFAA Cc1ccnc([C@H](C)N2CC(OCc3nc(C4CC4)no3)C2)c1 888078347 KPRBBFJBIXMRMP-LBPRGKRZSA-N 314.389 2.612 0 50 DFAA Cc1csc([C@@H]2COCCN2Cc2cnc(C3CC3)o2)n1 888100634 XIWZXGMGMLQLKJ-ZDUSSCGKSA-N 305.403 2.890 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccnn1C1CCC1 892226174 UALWVCWUJBKUKP-INIZCTEOSA-N 315.421 2.522 0 50 DFAA Cc1cccn2c(CN[C@@H](C)c3ccc(N(C)C)nc3)cnc12 2325807263 MFRADIWNTVTOIZ-AWEZNQCLSA-N 309.417 2.955 0 50 DFAA COc1ccc(-c2csc(N3CCOCC3)n2)cc1OC 38362 WZTHHDXVZGTKEG-UHFFFAOYSA-N 306.387 2.664 0 50 DFAA CCN(CC)C[C@H](O)Cn1c2c(c3ccccc31)CCCC2=O 74833 VVISDTGHYZBAFN-AWEZNQCLSA-N 314.429 2.863 0 50 DFAA COc1ccccc1CC(=O)Nc1ccc(OC)c(OC)c1 312216 SKVHEGYQHDXIAQ-UHFFFAOYSA-N 301.342 2.894 0 50 DFAA CC(C)(CO)NC[C@H](O)Cn1c2ccccc2c2ccccc21 339502 MDFIURJBFJDUJH-AWEZNQCLSA-N 312.413 2.516 0 50 DFAA CC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 485046 RUOJDQZVSKSUHK-UHFFFAOYSA-N 306.321 2.983 0 50 DFAA O=C(COc1ccccc1Br)Nc1cccnc1 3613442 XJWCVXLPJROOHR-UHFFFAOYSA-N 307.147 2.862 0 50 DFAA COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 4839056 FWVGUHCMTPJSKU-MRXNPFEDSA-N 321.332 2.977 0 50 DFAA O=c1c2ccccc2ncn1CCOc1ccc2c(c1)CCC2 4841882 BLNSBLYOHUHQFG-UHFFFAOYSA-N 306.365 2.964 0 50 DFAA CC[C@@H](CO)NCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7538889 XXPFQQUAJYQFCN-AWEZNQCLSA-N 303.358 2.594 0 50 DFAA COc1ccc(OC)c(CNc2ncnc3onc(C)c23)c1 8595975 HPHWWCGTFRXFSX-UHFFFAOYSA-N 300.318 2.556 0 50 DFAA Cc1cc(C(=O)Nc2nnc(C)s2)c2cnn(C(C)C)c2n1 10962110 CFVBKKCYOAYYKT-UHFFFAOYSA-N 316.390 2.733 0 50 DFAA COc1ccccc1Oc1ncccc1CNCc1cnn(C)c1 12300056 YLKYZMFAKDSCJA-UHFFFAOYSA-N 324.384 2.906 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1coc2ccccc12 344717436 QTOJMEWNRSIQGG-IXDOHACOSA-N 301.386 2.795 0 50 DFAA CCOC(OCC)c1nc2cc(Br)cnc2[nH]1 111347162 JFAQXNSLLVPOMU-UHFFFAOYSA-N 300.156 2.792 0 50 DFAA Cc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)o1 20451009 LFLNIBWCWWUDCE-KRWDZBQOSA-N 306.450 2.789 0 50 DFAA Cc1cc(C)cc([C@H](O)CN2CCC[C@H]2c2noc(C)n2)c1 229285760 GBTHUYUZTUPXKO-JKSUJKDBSA-N 301.390 2.865 0 50 DFAA CCOc1ccc(CN2CC[C@]3(CCCNC3)C2)cc1OC 67676766 VABDJHHSMDXSFY-SFHVURJKSA-N 304.434 2.669 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCCC3)C2)c(C)c1 229473278 FKGPSESATNMOSH-DLBZAZTESA-N 315.461 2.801 0 50 DFAA Cc1cc(N[C@H](C)CN2CCOCC2)nc(-c2ccccc2)n1 65456848 IAPOVWLRSLPCHI-OAHLLOKOSA-N 312.417 2.585 0 50 DFAA O=C(Nc1cncc(F)c1)N1CC[C@@H](CN2CCCCC2)C1 281280805 BUPMUWWYWMFQSW-ZDUSSCGKSA-N 306.385 2.560 0 50 DFAA O=C(NC[C@@H]1CC[C@@H](O)C1)N[C@H]1C[C@H](c2cccc(F)c2)C1 281600516 RKGDNBUTCIFCOW-UIBBOPPKSA-N 306.381 2.532 0 50 DFAA COC(=O)c1ccccc1OCCCCN1C[C@H](C)O[C@@H](C)C1 32670963 OSIHLTHKUWUVDN-GJZGRUSLSA-N 321.417 2.741 0 50 DFAA CC(=O)Nc1cccc(CNCc2cccc(NC(C)=O)c2)c1 4106964 XPEJUKTZDYTUPV-UHFFFAOYSA-N 311.385 2.893 0 50 DFAA Fc1cccc(CN(Cc2cccnc2)C[C@@H]2CCNC2)c1F 328654733 XSSQWTHGNTWODR-OAHLLOKOSA-N 317.383 2.972 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccc3c(C(=O)O)c[nH]c3c2)o1 358567101 NTIDEJDSBXMAQK-UHFFFAOYSA-N 320.326 2.568 0 50 DFAA CC(C)(C)[C@@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C[C@H]1O 332160022 QQJJENFSYNOIPF-IJLUTSLNSA-N 322.371 2.766 0 50 DFAA CCN(Cc1ccc(N(C)C)nc1)Cc1c(C)nn(C)c1C 215672010 KUEJEZUHTHXTFH-UHFFFAOYSA-N 301.438 2.520 0 50 DFAA Cc1ccccc1C1=CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 375276950 VMRUVASCSWXDDK-HNNXBMFYSA-N 323.396 2.761 0 50 DFAA Cc1ccsc1CN1CCCC[C@H]1C(=O)NCC(F)F 449604744 UKCQOHXCAVRAIZ-NSHDSACASA-N 302.390 2.792 0 50 DFAA CN(Cc1ccc(Cl)cc1)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 242088011 WBBVEYYEHCGZMG-HUUCEWRRSA-N 320.820 2.905 0 50 DFAA C[C@@H](CC(=O)O)NC(=O)COc1ccc(Cl)c2ccccc12 263110996 BAJAJGOYXGZTDH-JTQLQIEISA-N 321.760 2.851 0 50 DFAA CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CO 285839695 WHLGIEXCHBRKCG-UHFFFAOYSA-N 315.213 2.675 0 50 DFAA Cc1ccc([C@@H](O)CN2CC[C@@H](OCc3ccncc3)C2)cc1 287975710 ZRKVBEULSWESMY-MOPGFXCFSA-N 312.413 2.715 0 50 DFAA Cc1cccc2c1CN(C(=O)[C@@H]1CCn3c(cnc3C)C1)CC2 290368217 HMTUBGHTWUINRY-MRXNPFEDSA-N 309.413 2.647 0 50 DFAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 229220018 SYMJFFZLYFVGHW-QAPCUYQASA-N 324.428 2.609 0 50 DFAA COCCn1ccnc1[C@H]1CCCN(c2cc(C)ccn2)C1 95498672 SBWAXWKAJPDGSA-HNNXBMFYSA-N 300.406 2.617 0 50 DFAA Cc1nc(CCCNC(=O)[C@H]2CCCCCN2C)sc1C 95523244 YAJLXQOMEZBDPJ-CQSZACIVSA-N 309.479 2.683 0 50 DFAA CC(C)[C@@H]1N(c2ncc(Br)cn2)C[C@]12CCCO2 294159074 RMCZZKSUDCZUDH-WCQYABFASA-N 312.211 2.633 0 50 DFAA CSCc1noc(C2CCN(C(=O)C3CCCC3)CC2)n1 96138651 PCQCPPFDKHQTTN-UHFFFAOYSA-N 309.435 2.829 0 50 DFAA OCCN1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95353208 RPDBGXFTFUETRN-GOSISDBHSA-N 314.473 2.713 0 50 DFAA Cc1ccc2cccc(OCCn3cc([C@@H]4CCOC4)nn3)c2n1 91846798 GGJJSCBDEQFKCB-OAHLLOKOSA-N 324.384 2.718 0 50 DFAA COc1c(F)ccc(-c2cn(Cc3ccncc3)nn2)c1F 95365888 MXQPLWSXGJBFCY-UHFFFAOYSA-N 302.284 2.675 0 50 DFAA CC[C@@](C)(CCO)NC(=O)Nc1ccnc(Br)c1 297457835 QPLUMJVXQMJALU-LBPRGKRZSA-N 316.199 2.517 0 50 DFAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@H](CO)c1ccc(Cl)cc1 299032880 RVMJZMMNTXZHPA-RSUWNVLCSA-N 324.852 2.751 0 50 DFAA C[C@H]1CC[C@@H](CNC(=O)c2nc3ccccc3nc2C2CC2)N1C 626724015 OANKAYXXGNARRR-JSGCOSHPSA-N 324.428 2.720 0 50 DFAA CCc1nc(CCNc2ncc(F)c(N3CCCC3)n2)cs1 534588373 OKIZLVBASSKRRG-UHFFFAOYSA-N 321.425 2.889 0 50 DFAA O=C(O)[C@H]1COCCN(Cc2ccc(Cl)c(Cl)c2)C1 700462445 SWIBDCFVBYBQAN-SNVBAGLBSA-N 304.173 2.526 0 50 DFAA CCCNC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)CC 381917388 LZYZIYPOFBSJPM-UKRRQHHQSA-N 306.406 2.854 0 50 DFAA Cc1cc(S(=O)(=O)NCC(C)(C)N2CCCC2)c(C)s1 821746006 GPULHXQLULWMKD-UHFFFAOYSA-N 316.492 2.518 0 50 DFAA CCCCSCc1cc(C(=O)N2CCN(C)C(=O)C2)oc1C 584900440 DSOAHCNZMONVKA-UHFFFAOYSA-N 324.446 2.536 0 50 DFAA Cc1cc(Cl)cc2c(=O)n(CC[C@H]3CCCN3C)cnc12 584898630 UWCORQBIOJMIAI-CYBMUJFWSA-N 305.809 2.843 0 50 DFAA CCn1cc(CN[C@@H]2CCCN(Cc3cccs3)C2)cn1 952873311 VBLGLBYDPVWCJN-OAHLLOKOSA-N 304.463 2.719 0 50 DFAA O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@H]1CCCOC1 408521243 NJDBVLGTQMGYES-CXAGYDPISA-N 303.402 2.819 0 50 DFAA Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 221868859 HDBDZBJWALLPBT-OUJBWJOFSA-N 321.377 2.757 0 50 DFAA NC(=O)Nc1ccc(-c2csc(N3CCSCC3)n2)cc1 169974913 LKJQASDLLHBTQR-UHFFFAOYSA-N 320.443 2.854 0 50 DFAA C[C@H]1C[C@@H](c2ccccc2)CN1c1cc(N2CCOCC2)ncn1 277929106 WEAVNYSBNNELMO-DOTOQJQBSA-N 324.428 2.696 0 50 DFAA O=C(O)[C@H]1CN(C[C@@H]2CCOc3ccccc32)CCC1(F)F 1614994575 HCQUTVGTLUMRHR-WCQYABFASA-N 311.328 2.595 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c(C)c1 1615695787 FGLOSZWPQNYHQB-ROUUACIJSA-N 324.424 2.994 0 50 DFAA CN1C[C@@H](C(F)(F)F)[C@@H](C(=O)Nc2ccc(F)cc2F)C1 1616037627 DOMMJJYFOSJBNP-DTWKUNHWSA-N 308.250 2.643 0 50 DFAA Cc1noc(NC(=O)[C@H](C)Cn2cncn2)c1-c1ccccc1 1506406185 DSCQDVPDHCSHOT-LLVKDONJSA-N 311.345 2.516 0 50 DFAA Cc1cc(C)n(C[C@H](C)N2CC(Oc3ccccc3F)C2)n1 1506413723 UNKDLSOHALFRKI-AWEZNQCLSA-N 303.381 2.791 0 50 DFAA CN(C)c1nc(CNC(=O)c2cc(Cl)ccc2F)cs1 223054964 CFROIJZPCARMRM-UHFFFAOYSA-N 313.785 2.932 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc(F)c(O)c1)C2 1704341693 ZNZDGFGESOBJTM-NVXWUHKLSA-N 307.365 2.953 0 50 DFAA COc1ccccc1/C=C(/NC(=O)c1ccc(C)cc1)C(=O)O 451989 BVBBGMHGMVPCLH-RVDMUPIBSA-N 311.337 2.859 0 50 DFAA N[C@H]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 132549828 UDWPTZCZSSXVSC-JTQLQIEISA-N 317.216 2.712 0 50 DFAA CC(C)(C)C(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 14988089 IDGIVHQTRPLWER-ZDUSSCGKSA-N 311.385 2.609 0 50 DFAA CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Cl 16577105 ZAEAHXXAXQQBBE-UHFFFAOYSA-N 314.794 2.789 0 50 DFAA Cc1n[nH]c(C)c1CN(C)C[C@H]1CCCN(Cc2ccco2)C1 19745179 RFCUGATYFFEWCN-MRXNPFEDSA-N 316.449 2.964 0 50 DFAA Nc1c(-c2ccc(Cl)cc2)n(O)c2cc(C=O)ccc2[n+]1=O 19799257 JTCGSXKNLDGFIK-UHFFFAOYSA-N 316.724 2.508 0 50 DFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(C(=O)O)c1 319783470 GVQWPKKQWBUOGJ-ZUZCIYMTSA-N 313.309 2.552 0 50 DFAA O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCOCC1 4066109 GNRXNZIMNNDJEE-UHFFFAOYSA-N 317.366 2.607 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2 236869090 JLCQKSBINRXWGY-IAGOWNOFSA-N 316.445 2.955 0 50 DFAA Cc1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)O 237543057 PKKFJNQTZQBQJV-AWEZNQCLSA-N 305.374 2.620 0 50 DFAA C[C@H]1COc2ccccc2CN1Cc1cn(C(C)(C)C)nn1 241135439 JPIQDJSLIGUHPV-ZDUSSCGKSA-N 300.406 2.816 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CCC[C@H](C)[C@H]3CN)co2)cs1 156625039 URJJNQHRGNGTOM-IINYFYTJSA-N 319.430 2.911 0 50 DFAA O=C(O)C1CCN(C(=O)Cc2csc3ccccc23)CC1 262161631 PRNQZUCVOFNZKD-UHFFFAOYSA-N 303.383 2.767 0 50 DFAA CC(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3CNC[C@H]32)cc1 1875267820 PQCONFKXVBYZEN-GVDBMIGSSA-N 301.434 2.607 0 50 DFAA C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cnc[nH]1 1875285364 LGLGBKZTCYGYAI-AWEZNQCLSA-N 312.417 2.887 0 50 DFAA COc1cc2ncnc(N3CCN(C(C)C)CC3)c2cc1Cl 1875304966 ARMDFRBAUQLZOY-UHFFFAOYSA-N 320.824 2.822 0 50 DFAA COC(=O)[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1C 111411 FRZAADRGBQOEKU-SFHVURJKSA-N 310.353 2.957 0 50 DFAA Cc1cnc(C(=O)NC[C@H]2OCCc3sc(F)cc32)c(C)c1 2325722497 WZOQDALUDAVGEU-GFCCVEGCSA-N 320.389 2.943 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CC[C@](C)(CO)C3)c2)cc1 2325737526 WSXIRVCVJCQHKG-IBGZPJMESA-N 310.397 2.902 0 50 DFAA CN(C)Cc1ccc(CNC(=O)N(C)Cc2ccns2)s1 2325769091 GUPDIXTVQMBSKA-UHFFFAOYSA-N 324.475 2.608 0 50 DFAA N[C@H]1CCCN(Cc2ccc(-c3ccc4c(c3)CCCC4)nn2)C1 2325796756 JBDIJQPTQUZEPO-SFHVURJKSA-N 322.456 2.946 0 50 DFAA CCn1cc(NC(=O)N2CCCc3ccccc32)c(C(=O)O)n1 2325797716 NZRAREDWJSGHJO-UHFFFAOYSA-N 314.345 2.586 0 50 DFAA COc1ccc(-c2noc(C[C@@H]3OCCc4ccccc43)n2)cn1 115179051 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DFAA C[C@@H](COc1ccccc1)C(=O)Nc1n[nH]c2cc(F)ccc12 356842309 RIPUTHKBYRIBEB-NSHDSACASA-N 313.332 3.356 0 50 DFAA O=C(O)c1nn2c(c1Cl)N[C@H](C1CC1)C[C@@H]2C(F)(F)F 34928928 YVHBDEDCNAKORF-NTSWFWBYSA-N 309.675 2.932 0 50 DFAA CN(C)C[C@@]1(CO)CCCN(Cc2cc3ccccc3o2)C1 216104782 HWXIPISXONOAAA-SFHVURJKSA-N 302.418 2.569 0 50 DFAA CCCN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 32253636 CZRJGQXHVRNZRZ-RDTXWAMCSA-N 323.440 2.906 0 50 DFAA COc1ccccc1-c1nc(CN2CCC[C@@H]2C(=O)O)cs1 237353213 DFLGVAUDVNWCDQ-CYBMUJFWSA-N 318.398 2.868 0 50 DFAA CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 455954178 GJDJLAYKUXNSPD-QLFBSQMISA-N 320.820 2.571 0 50 DFAA CCC[C@H]1CN(Cc2ncc(C)c(OC)c2C)C[C@@H]1N(C)C 219845990 OCILVDOGBORIHI-RDJZCZTQSA-N 305.466 2.869 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC([C@@H]2CCCOC2)CC1 378570901 LTSDNDZIJQPFAF-MRXNPFEDSA-N 319.449 2.624 0 50 DFAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@H]1COCCO1 240551555 GUPQIIZJHHPVCO-SLEUVZQESA-N 311.809 2.706 0 50 DFAA 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323.327 2.937 0 50 DFAA CCCn1cc(C(=O)NCCCc2nc(C)cs2)c(C)n1 91486782 HPPSGSCMEDYPHU-UHFFFAOYSA-N 306.435 2.729 0 50 DFAA Cc1n[nH]c([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)n1 97446922 JJFMLDMEPWLJBH-ZDUSSCGKSA-N 310.361 2.500 0 50 DFAA CC1(C)CN(C(=O)CCSCc2ccccc2)C[C@@]1(C)O 91906956 KZYQBHKTZNZWST-QGZVFWFLSA-N 307.459 2.929 0 50 DFAA CC[C@@H](NC(=O)CN(C)Cc1ccccc1F)c1nccs1 244794898 QVVYAAMDZQEUEW-CQSZACIVSA-N 321.421 2.982 0 50 DFAA COc1ccccc1OCCN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299744517 SQWLJCOWUWPUAR-ZNMIVQPWSA-N 319.401 2.792 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 299745058 VVHOHRPKZRANJY-BNOWGMLFSA-N 307.777 2.767 0 50 DFAA Cc1ccc(Cn2cnc3c(cnn3C(C)C)c2=O)cc1F 629164090 LMDGYTKXFSVSJQ-UHFFFAOYSA-N 300.337 2.670 0 50 DFAA CCCn1ncnc1[C@H](C)NC(=O)c1cccc2c1NCCC2 534634022 WEBGSJFPZORSGH-LBPRGKRZSA-N 313.405 2.537 0 50 DFAA CC(C)(C)c1cc(CNC(=O)[C@@H](O)c2cccc(Cl)c2)[nH]n1 299795490 LJEUXPKQERMRAY-AWEZNQCLSA-N 321.808 2.710 0 50 DFAA Cc1cccc(C[C@@H](C)NS(=O)(=O)c2cc(C)sc2C)n1 825230605 HZYYDOXLEJSLSZ-LLVKDONJSA-N 324.471 2.978 0 50 DFAA CC(C)(O)CC(=O)N1CCC(Cc2nc(C(C)(C)C)co2)CC1 585139463 ILSDFXYKFJQEBV-UHFFFAOYSA-N 322.449 2.914 0 50 DFAA CCCN1C[C@H](Nc2nnc(-c3ccccc3)s2)CC1=O 822919131 FOPAFFGBINPYFO-GFCCVEGCSA-N 302.403 2.628 0 50 DFAA c1nnn(C23C[C@H]4C[C@@H](CC(NCc5ccsc5)(C4)C2)C3)n1 952991426 RLMZQDRYZOGIJU-FXQLRMTLSA-N 315.446 2.572 0 50 DFAA C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cn1)c1ccsc1 882317896 KSUADAPVCKGYKP-GFCCVEGCSA-N 317.414 2.789 0 50 DFAA O=C1[C@H](Nc2nc(C3CC3)ns2)CCN1c1ccccc1F 301495960 BSRJKPNLDDQXKE-LLVKDONJSA-N 318.377 2.772 0 50 DFAA c1coc([C@H]2CCCN2c2cc(N3CCSCC3)ncn2)c1 302895931 OXZNKUNBWOUDKN-CYBMUJFWSA-N 316.430 2.964 0 50 DFAA CNC(=O)CCCCC(=O)Nc1ccc(F)cc1OCC1CC1 170601899 XVYXWASFOGFJNU-UHFFFAOYSA-N 322.380 2.859 0 50 DFAA CCNC(=O)c1ccc(C)c(NC(=O)c2ccc3nccn3c2)c1 170869285 WFXZISZLEWAPRL-UHFFFAOYSA-N 322.368 2.645 0 50 DFAA CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(N)=O)nc1)CC2 187248205 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319.434 2.789 0 50 DFAA C[C@H](NC(=O)CCCc1ccc2ccccc2c1)c1nnnn1C 252496313 PGLSXZNENOYNBN-ZDUSSCGKSA-N 323.400 2.563 0 50 DFAA CC[C@H](Cc1ccc(C)cc1)NC(=O)NC[C@@H]1CC[C@H](O)C1 252485566 GYYVDEKEWAHVAN-ZACQAIPSSA-N 304.434 2.776 0 50 DFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(N)=O)cc2)C1 262580209 QHMDEAAMULZNDD-HXUWFJFHSA-N 322.408 2.979 0 50 DFAA C[C@@H](CC(=O)N[C@H]1c2ccccc2CC[C@H]1C)N1CCCC1=O 585131961 KQZWYVCIHQFYJK-BIENJYKASA-N 314.429 2.827 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](CN3CCCCC3)C2)c(C)c1 266211879 YCUUCFWTDZSAGH-MRXNPFEDSA-N 316.445 2.952 0 50 DFAA Cc1nc(C)n(C[C@@H]2CCCN2Cc2nc(C(C)C)ns2)n1 931171934 KUMNQIXZNUEHII-ZDUSSCGKSA-N 320.466 2.534 0 50 DFAA CCN(Cc1ccccn1)C(=O)c1ccc(OC(F)F)nc1 934339220 DRYMNNAABSVICF-UHFFFAOYSA-N 307.300 2.740 0 50 DFAA O=C(O)CC1(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 846246726 QWRYACXWUBSSAN-KRWDZBQOSA-N 321.392 2.826 0 50 DFAA Oc1ncc(F)c(SCc2csc([C@@H]3CCCO3)n2)n1 1875282085 MAUCUBKCFDOJTI-VIFPVBQESA-N 313.379 2.922 0 50 DFAA Cc1nnsc1[C@@H](C)NCC1(N2CCCCC2)CCOCC1 1875285103 CJYACXYJGJYEPL-CYBMUJFWSA-N 324.494 2.532 0 50 DFAA Cc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)c(=O)n1C 1875252139 FOKOSFCQOMJLIB-UHFFFAOYSA-N 321.327 2.636 0 50 DFAA c1ccc([C@@H]2C[C@H]2Cc2noc(C3(n4cncn4)CC3)n2)cc1 1875286518 VENUKUVUIJUTRK-KBPBESRZSA-N 307.357 2.545 0 50 DFAA CC(C)c1cccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1 1875306126 UGDUPOVZGZBWGK-TUKIKUTGSA-N 305.374 2.619 0 50 DFAA O=C(N[C@@H]1CCC[C@H]1CO)c1ccc(C(F)(F)F)c(F)c1 1875324809 BROJOTUVWGEDMX-JOYOIKCWSA-N 305.271 2.735 0 50 DFAA Cc1cc(CNC(=O)N2CCCC[C@H]2c2nc[nH]n2)sc1C 1775988209 AYMVMJNDCUMYKS-ZDUSSCGKSA-N 319.434 2.920 0 50 DFAA CCS(=O)(=O)Cc1noc(-c2ccc(C(F)F)c(F)c2)n1 904028229 XRCHGYVKFNTOJL-UHFFFAOYSA-N 320.292 2.748 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2scc3c2OCCO3)cc1 94724 FDLLPEOGFIVUAI-UHFFFAOYSA-N 318.354 2.730 0 50 DFAA Cn1c(N2CC[C@@](N)(c3ccccc3)C2)nc2ccc(F)cc21 2325772581 AIDVRPRWUXSITL-SFHVURJKSA-N 310.376 2.777 0 50 DFAA C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1cccnc1F 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COc1ccccc1Cc1noc([C@H]2CC23CCOCC3)n1 377439267 ZGOYUVBRGJGMJK-CYBMUJFWSA-N 300.358 2.953 0 50 DFAA COc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c1F 237357091 PVLWQUWTNJFGTK-NSHDSACASA-N 309.337 2.694 0 50 DFAA CCCNC(=O)CNc1cc(-c2ccccc2)nc2cc(C)nn12 72432956 PDXKSHGMMGZDMC-UHFFFAOYSA-N 323.400 2.643 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CCC4(CCOCC4)CC3)nc2c1 71440291 BJMRQOKUYZGHGS-UHFFFAOYSA-N 313.401 2.904 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 71754888 RMYVJHJSIWTSAB-UHFFFAOYSA-N 304.390 2.534 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H]1CCCc2ccccc21 241969532 UXDCFTSKUCZVBL-LXZKKBNFSA-N 303.402 2.764 0 50 DFAA O=C(NCC1(C(=O)O)CCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 130656163 SSZWOGQSVLLLLT-VHSXEESVSA-N 307.312 2.726 0 50 DFAA CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCOC2(CCOCC2)C1 82096879 CRVCZURMBFHYIQ-OAHLLOKOSA-N 321.465 2.867 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)c1ccc(C(=O)OC)cc1 82139049 XIVMBFSXMTUYCQ-MRXNPFEDSA-N 319.401 2.895 0 50 DFAA CO[C@@H]1C([C@@]2(O)C(=O)C(OC(C)C)=C2OC(C)C)=CCC1(C)C 43199128 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Cc1ccnc(C[C@H](C)N(C)C(=O)NCc2cscn2)c1 534583257 VBJKGALGHOONNR-LBPRGKRZSA-N 304.419 2.619 0 50 DFAA CCOC(=O)Cc1cc(Br)nc(Br)c1 263623162 FHDQMGYCZAXHDW-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA CCc1cc(C(=O)N[C@@H](CC(C)C)c2ncnn2C)cs1 534664737 NEJZNNOBANIFEB-ZDUSSCGKSA-N 306.435 2.956 0 50 DFAA C[C@H](c1ccc(C(=O)NCCc2cc[nH]n2)o1)N1CCCCC1 534676871 VGGOBJMUJJKSDT-CYBMUJFWSA-N 316.405 2.522 0 50 DFAA Cc1cc(S(=O)(=O)N2CCC(c3ncco3)CC2)ccc1F 585134704 HASCLSUBQRCOAQ-UHFFFAOYSA-N 324.377 2.690 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)n1cnc2cc(Cl)ccc2c1=O 584899679 VKKVHXMMVROMCZ-JTQLQIEISA-N 302.765 2.999 0 50 DFAA CCOCCN[C@@H](C)C[C@@H](C)CCNC(=O)OC(C)(C)C 585134925 PNTITMOIRMTERX-KBPBESRZSA-N 302.459 2.942 0 50 DFAA C[C@@H](CCn1cccn1)n1cnc2ccc(Cl)cc2c1=O 584889668 FHRLMFYIRHMPBK-NSHDSACASA-N 302.765 2.898 0 50 DFAA NC(=O)c1ccc(CCC(=O)N2CC=CC23CCCCC3)cc1 912472575 YGWZABBURZJFLQ-UHFFFAOYSA-N 312.413 2.819 0 50 DFAA Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c(C2CC2)n1 630100846 HTVWVCQPAYFNHI-CQSZACIVSA-N 314.385 2.594 0 50 DFAA CCOc1cc(C)c(CNCc2nc(O)n[nH]2)cc1C(C)C 952970350 IBMPJURLPMJSOR-UHFFFAOYSA-N 304.394 2.631 0 50 DFAA CC(C)(C)c1ccc(SCC(=O)NCc2cnc(O)[nH]2)cc1 408517764 NSJBPDMFMXYUGQ-UHFFFAOYSA-N 319.430 2.821 0 50 DFAA CN(C)c1cccnc1NC(=O)c1ccc(Br)o1 170078661 PUZIPKQRXXIWLA-UHFFFAOYSA-N 310.151 2.755 0 50 DFAA COc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)c1 170313958 VRUPOMRCIGYPJQ-CYBMUJFWSA-N 313.353 2.811 0 50 DFAA Cc1nc(CC(=O)Nc2c(C(F)F)n[nH]c2C)c(C)s1 272410701 FORCMBHHMPVANA-UHFFFAOYSA-N 300.334 2.910 0 50 DFAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@@H](C)C[C@H]1C(N)=O 186993935 POASUNVQSDPELR-XFRGYXEISA-N 320.820 2.856 0 50 DFAA CN=[S@](C)(=O)c1cccc(NC(=O)c2nc(C)oc2C)c1 585087548 IMYLPRVJWDBOBG-OAQYLSRUSA-N 307.375 2.630 0 50 DFAA Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C2)cnn1-c1ccncc1 1615040295 SKYGTRFREZWRHX-LLVKDONJSA-N 324.306 2.600 0 50 DFAA Fc1ccc(OC[C@@H]2CCOC2)c(-c2cnc3n2CCOC3)c1 1616043310 YGUCVPUZYRYOIR-GFCCVEGCSA-N 318.348 2.635 0 50 DFAA O=C1CC[C@H](NCCCOC2CCCC2)CCN1CC1CC1 1506398565 RUNDTRRACZQVBO-INIZCTEOSA-N 308.466 2.716 0 50 DFAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccc(Cl)cc3)C[C@@H]12 1529187331 RWABSIGVISQUNN-WBVHZDCISA-N 322.836 2.711 0 50 DFAA O=C(c1ccc(Cl)cn1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1800416071 SWHZCIZOQIFJDC-INIZCTEOSA-N 316.792 2.578 0 50 DFAA CCc1c(C)cc(C(=O)N2C[C@H]3CC(C)=CC[C@H]3C2)c(=O)n1C 216746300 NNXOTBRQCMCYOA-LSDHHAIUSA-N 314.429 2.684 0 50 DFAA Cc1noc(CCNc2ncc(Cl)cc2Br)n1 225592966 DGBZQWYUKAHNCK-UHFFFAOYSA-N 317.574 2.844 0 50 DFAA Cc1cccc(-c2ncc(CN3C[C@H]4C[C@@H](O)C[C@H]4C3)cn2)c1 1775976897 BOWRSXGURQVOBQ-BCDXTJNWSA-N 309.413 2.655 0 50 DFAA O=C(c1cc(F)c(F)cc1Cl)N1CCC2(CC1)OCCO2 13325973 LROGYIQIURYPTI-UHFFFAOYSA-N 317.719 2.597 0 50 DFAA O=C(c1cc(Cl)cc(Cl)c1)N1CCC2(CC1)OCCO2 13326235 ZNOLBXAGBJWBHK-UHFFFAOYSA-N 316.184 2.973 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 13549266 NETDJVYNLJYFCJ-KBPBESRZSA-N 301.342 2.543 0 50 DFAA CNCCCOc1ccc(C)cc1I 16294300 ACPLELZGEBHZSD-UHFFFAOYSA-N 305.159 2.588 0 50 DFAA CN(Cc1cnn(C)c1)[C@H]1CCCN(CCc2ccccc2)C1 19226197 XKLNCBOCLJWTPG-IBGZPJMESA-N 312.461 2.559 0 50 DFAA CCSc1ccc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)cn1 229890552 MWHSJLTVTMBVKQ-KGLIPLIRSA-N 305.447 2.550 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2CCC[C@@H](OC3CCC3)C2)c1 634692472 BOXQYLWCVVOBLD-SJORKVTESA-N 319.401 2.854 0 50 DFAA C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)[C@@H]1CCCc2sccc21 235592657 UYFUJEIADPYLBV-GMXVVIOVSA-N 307.415 2.880 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)CCCc1c[nH]c2ccccc12 238040638 VOOOLULUVSOSCX-MRXNPFEDSA-N 314.385 2.956 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C)CC1 19811626 RJYXMUNGDDBXHX-SNVBAGLBSA-N 317.216 2.535 0 50 DFAA O=C([C@@H]1CC12CCN(c1nc3ccccc3[nH]1)CC2)N1CCCC1 253422927 KVWGISFIMFWRID-AWEZNQCLSA-N 324.428 2.792 0 50 DFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1[nH]nc(C2CC2)c1Br 265705584 SMCNKOCPGRORBU-UJNFCWOMSA-N 324.222 2.968 0 50 DFAA Cc1nc(N)c2c(C)c(C(=O)N3CCC[C@H]4C[C@H]43)sc2n1 804293142 KGXSDDMBVSCVIL-VHSXEESVSA-N 302.403 2.515 0 50 DFAA O=C(CNC[C@@H](O)c1ccccc1)N1CCCCc2ccccc21 905606926 JWMWETSVTBKEEC-LJQANCHMSA-N 324.424 2.679 0 50 DFAA CC[C@@H](OC1CCCC1)C(=O)N1CCc2nc[nH]c2C12CCC2 829084863 OZKITNGRPCHEKR-OAHLLOKOSA-N 317.433 2.911 0 50 DFAA CCN1CCN(C(=O)c2cc3c(N(C)C)cccc3s2)CC1 929112407 DJCJAROLKZFKSZ-UHFFFAOYSA-N 317.458 2.745 0 50 DFAA CCc1noc(C)c1NC(=O)NCc1c(C)nc2ccccn12 930545409 KGVZUSDMLATISV-UHFFFAOYSA-N 313.361 2.823 0 50 DFAA CCCCNC(=O)N[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 1875276315 AVSFYKGWSLJAJO-LBPRGKRZSA-N 313.442 2.731 0 50 DFAA O=C(Cc1ccc2ncccc2c1)N1CCC([C@@H]2CCNC2)CC1 1875277134 LABLROKBHYUHGK-GOSISDBHSA-N 323.440 2.625 0 50 DFAA c1cc(CNCCn2nnc3ccccc32)cc(-c2cn[nH]c2)c1 1875349640 GVDZKZWJXVRMPA-UHFFFAOYSA-N 318.384 2.611 0 50 DFAA COC(=O)Cc1ccc(OC[C@H]2C[N@@]2CC(C)C)cc1Cl 1875381948 MCADXVHQUAFWOO-FZKQIMNGSA-N 311.809 2.775 0 50 DFAA O=S1(=O)CCN(Cc2sccc2Cl)[C@@H]2CCCC[C@@H]21 338547398 NRTXICOBNGQSNY-YPMHNXCESA-N 319.879 2.943 0 50 DFAA O=C1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N1 1425333 KESJPRFGOKINOT-UHFFFAOYSA-N 320.345 2.511 0 50 DFAA COc1cc(C)c(C(=O)N(CC(F)F)C[C@H](C)O)cc1Cl 2325751311 KOMBHACXJDUATR-VIFPVBQESA-N 321.751 2.745 0 50 DFAA CC[C@H](C)c1nccc(=NC[C@H]2CC(=O)Nc3ccccc32)[nH]1 2325775183 HWQADYLLUPDMIM-QWHCGFSZSA-N 310.401 2.950 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccccc2OC)C1 239263 ZLFLZRVOEKUHNS-INIZCTEOSA-N 304.434 2.776 0 50 DFAA CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1 421965 QJWXCBWWPKZTQI-UHFFFAOYSA-N 316.430 2.680 0 50 DFAA S=C(NCc1ccco1)Nc1ccc(N2CCOCC2)cc1 613063 RBNWQPAPYMXHBT-UHFFFAOYSA-N 317.414 2.603 0 50 DFAA CCn1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)n1 2756981 PGBSSBSXZXFZGK-UHFFFAOYSA-N 301.346 2.721 0 50 DFAA CCc1ccc(CNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 2994300 GETMINKZYJBHBX-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA COc1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 4487468 PQZRXNVNLQNIMI-UHFFFAOYSA-N 300.265 2.880 0 50 DFAA CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4731813 FDCFNEZJEVYIBC-CYBMUJFWSA-N 320.820 2.951 0 50 DFAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(OC)cc1OC 4977579 GPISQNDHYVQUAU-OAHLLOKOSA-N 307.390 2.621 0 50 DFAA CCCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 6039741 HYIOGAOXFACMSQ-UHFFFAOYSA-N 313.375 2.758 0 50 DFAA CC1CCN(C(=O)N2CCN(c3ccccc3F)CC2)CC1 7504448 UMUDIMNTAYRIQG-UHFFFAOYSA-N 305.397 2.800 0 50 DFAA CCCN1CCN(CC(=O)Nc2cc(Cl)ccc2C)CC1 20595135 TUWWZSPCKIIYKB-UHFFFAOYSA-N 309.841 2.615 0 50 DFAA O=C(CCc1nc(-c2ccccn2)no1)NC1CCCCC1 9699726 JNQJCFLLTWYGQM-UHFFFAOYSA-N 300.362 2.513 0 50 DFAA CCNC(=O)CCc1nc(C23CC4CC(CC(C4)C2)C3)no1 113706762 HFCNUTBXRBZVEV-UHFFFAOYSA-N 303.406 2.606 0 50 DFAA CN(CCCn1cccn1)Cc1cc2c(cc1Cl)OCO2 65490058 IDLNTUMVSKQEHE-UHFFFAOYSA-N 307.781 2.787 0 50 DFAA CC(C)=CCC[C@@H](C)CN1CCC(n2cc(CO)nn2)CC1 55309102 SQJWITYGHDVMON-OAHLLOKOSA-N 306.454 2.790 0 50 DFAA COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2 3810794 LITNEAPWQHVPOK-FFSVYQOJSA-N 316.401 2.659 0 50 DFAA in-man CCCN1CCN(c2ccccc2CN(C)C[C@@H](C)OC)CC1 348833959 ONNJZOXESXBIOA-QGZVFWFLSA-N 319.493 2.685 0 50 DFAA Cc1cccnc1C(=O)N1CC[C@@H](c2sccc2C)[C@H](O)C1 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Cc1nc2ccccc2nc1CSCCN1CCCC1=O 288283268 CAABMXJXVHMYQA-UHFFFAOYSA-N 301.415 2.794 0 50 DFAA CCCc1cc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2F)on1 823020312 XSAVCZPXZVSEQA-SNVBAGLBSA-N 324.327 2.989 0 50 DFAA CCc1nccn1CCCn1cnc2c(C)csc2c1=O 584886118 PJEWLVKFULZAII-UHFFFAOYSA-N 302.403 2.616 0 50 DFAA Cc1ccc(Cn2cc3c(n2)CC(C)(C)CNC3=O)cc1F 634559955 NRSJLXYRNRRBFU-UHFFFAOYSA-N 301.365 2.691 0 50 DFAA Cc1nc(C)c(C)c(N2CCN(CCc3ccccc3)CC2)n1 301432837 HSVCFUHKBGLUPX-UHFFFAOYSA-N 310.445 2.767 0 50 DFAA C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ncc[nH]1 170597557 MHDFQSUCEFGVEX-LLVKDONJSA-N 305.345 2.712 0 50 DFAA COc1cnccc1[C@H](C)NC(=O)CCc1nc2ccccc2[nH]1 170603163 SPCMSNIRLAGHOT-LBPRGKRZSA-N 324.384 2.777 0 50 DFAA O=C(NCCc1nc2c(s1)CCCC2)Nc1ncccc1F 193910615 MSULXQFVSASATM-UHFFFAOYSA-N 320.393 2.920 0 50 DFAA Cn1ncc2c(O)nc(N3CCCC[C@@H]3CC3CCC3)nc21 585099521 PWMIMUUQIXAJJX-GFCCVEGCSA-N 301.394 2.618 0 50 DFAA CCS(=O)(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 585114984 IBNZSCXNZBMHIH-MRVPVSSYSA-N 301.799 2.559 0 50 DFAA Oc1nc(CN2CCC[C@@]3(CCC[C@H]3O)C2)nc2ccsc12 1704338561 VCONYYMWLNEINI-WBMJQRKESA-N 319.430 2.524 0 50 DFAA CCc1ccc(OCCCN(C)CC[C@@H]2COCCO2)cc1 1800410904 DDLFBLOTBQWIKW-GOSISDBHSA-N 307.434 2.755 0 50 DFAA COc1cc(/C=C/C(=O)Nc2ccccn2)cc(OC)c1OC 860261 VQKRXBBOESXYPD-BQYQJAHWSA-N 314.341 2.759 0 50 DFAA CCOc1cc(S(=O)(=O)Nc2cccnc2)c(C)cc1C 11566440 UWQWARCMXXWEAB-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCOC2)cc1 13817276 IFUGCVRRQXBYDP-UHFFFAOYSA-N 323.352 2.827 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1 16579672 MFMWQURSYUJKGF-UHFFFAOYSA-N 318.398 2.895 0 50 DFAA C[C@H](Cc1ccccc1)C(=O)N1CCc2c(cccc2C(N)=O)C1 620896704 IJLIQZWJBMPAAG-CQSZACIVSA-N 322.408 2.549 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 239247978 XUKVLLMZTCYHIQ-GYBADROVSA-N 309.724 2.941 0 50 DFAA Cc1cccnc1-c1noc(-c2cc3ccccc3c(=O)n2C)n1 345931957 KXLMPIUKKHANAB-UHFFFAOYSA-N 318.336 2.959 0 50 DFAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1csc(C2CC2)n1 138448716 YUUJSLXODFPARL-GFCCVEGCSA-N 302.355 2.576 0 50 DFAA COC1CN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 358112265 NVHZHZYHIRJZQE-UHFFFAOYSA-N 308.790 2.934 0 50 DFAA COc1cc(C(=O)O)ccc1CCNC(=O)c1cscc1C 263368504 XAISOOCWWHWVDL-UHFFFAOYSA-N 319.382 2.736 0 50 DFAA COC(=O)c1coc(CNC(=O)c2cnc(CC(C)C)s2)c1 828256717 WUWDAUPVAJKGQT-UHFFFAOYSA-N 322.386 2.651 0 50 DFAA CN1CCN(Cc2cccc3ccnn23)[C@@H](c2ccccc2)C1 1138804453 JXZNQNFMFRHMLR-LJQANCHMSA-N 306.413 2.823 0 50 DFAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3cn(C)nn3)C2)C1(C)C 1159128746 WNJRWRBCXPHNPU-SQWLQELKSA-N 316.449 2.760 0 50 DFAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)CCc1ncon1 952995049 BKUZTWWZPKUPBR-QLFBSQMISA-N 323.437 2.548 0 50 DFAA C[C@@H](N=c1cc(Cl)[nH]c(=N)[nH]1)c1cc(F)c(F)c(F)c1 1875256797 YZHMUJSQMODMDO-RXMQYKEDSA-N 302.687 2.555 0 50 DFAA c1ccc([C@H](NCc2nnc3n2CCCCC3)c2cnc[nH]2)cc1 1875285063 BQVDIZOXIZJENS-SFHVURJKSA-N 322.416 2.607 0 50 DFAA CCCCOc1ccc(C(=O)N[C@]2(C)CC[S@@](=O)C2)cc1 1875387353 DBDPDHUOQVAKGG-IIBYNOLFSA-N 309.431 2.506 0 50 DFAA Cc1cc(N2CC[C@H](C3CC3)[C@@H]2c2nc(O)n[nH]2)ncc1Cl 1875400164 SIHRCCKXRFSFCY-ZWNOBZJWSA-N 319.796 2.845 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ncccc2Br)C1 1775960715 FJVPRALWRUWVIC-MWLCHTKSSA-N 323.194 2.534 0 50 DFAA O=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1 136401 NRTVVWXITIPWIQ-UHFFFAOYSA-N 318.373 2.506 0 50 DFAA CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1 373703 LUAXUEONOWBTON-UHFFFAOYSA-N 323.396 2.607 0 50 DFAA CCCOc1ccccc1[C@H]1NC(=O)N(C)C(C)=C1C(=O)OC 2057165 QYQRHZPMQCLGLP-OAHLLOKOSA-N 318.373 2.619 0 50 DFAA CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)o1 4943094 IGDLFBMSKBWHDB-UHFFFAOYSA-N 307.375 2.762 0 50 DFAA CN(c1nc(O)c2cnn(C)c2n1)[C@H]1CCC[C@@H]1c1ccccc1 413410964 DBPWGNONFOMMPN-HIFRSBDPSA-N 323.400 2.841 0 50 DFAA OCc1ccc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1 225650686 GZQNHUWBBUUTJF-QZTJIDSGSA-N 301.361 2.626 0 50 DFAA C/C=C(\C)CN1CC[C@@H](CNC(=O)c2onc3ccccc23)C1 67909870 GHZPAEHWROIYRA-MIJQFGFMSA-N 313.401 2.846 0 50 DFAA CN(C)c1nc2c(c(N[C@@H](CO)c3ccccc3)n1)CCCC2 65406938 VDQDMSVSGXAIAE-INIZCTEOSA-N 312.417 2.567 0 50 DFAA CSc1ccc(CCNC(=O)N[C@@H](C)c2cnn(C)c2)cc1 280938445 IZBDODKILCOAIV-LBPRGKRZSA-N 318.446 2.745 0 50 DFAA Cc1ccc(/C=C/C(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)o1 252510861 CHTAPCTYOXRBKS-RFNRLQJWSA-N 300.402 2.544 0 50 DFAA O=C(N[C@@H](CO)c1ccsc1)c1c[nH]nc1-c1ccccc1 354267099 UAIQXJJNTPLEKJ-AWEZNQCLSA-N 313.382 2.602 0 50 DFAA COc1ccc(Br)cc1C(=O)NCc1ccccn1 4865976 VKQDTFDYBGYHLP-UHFFFAOYSA-N 321.174 2.783 0 50 DFAA Cc1csc(NC(=O)[C@H](C)N2CCc3ccccc3C2)n1 36247453 IXGBVFLENFBQIJ-LBPRGKRZSA-N 301.415 2.837 0 50 DFAA O=C(c1ccc2nc(S)oc2c1)N1CCOC2(CCCC2)C1 151340576 QSQOXZJTIHQOKU-UHFFFAOYSA-N 318.398 2.902 0 50 DFAA CCn1ncc2ccc(NC(=O)CCC3CCNCC3)cc21 155169208 QALZNUACRJPLHX-UHFFFAOYSA-N 300.406 2.775 0 50 DFAA Cc1cc(Cl)cc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c1 331724557 LSDCYFVEFTYWOP-CYBMUJFWSA-N 318.808 2.792 0 50 DFAA C[C@H](CCN1C(=O)c2ccccc2C1=O)Nc1cccc(CO)c1 241775975 RQWBAUBLGHMGBK-CYBMUJFWSA-N 324.380 2.666 0 50 DFAA C[C@@H]1CCCC[C@H]1OCC(=O)NC1[C@H]2CCC[C@H]1CC(N)C2 261703148 UGZFQTWYLGGNCC-UVXMPCKOSA-N 308.466 2.604 0 50 DFAA O=C(NCc1ccnc(OC2CCC2)c1)c1cncnc1C1CC1 456012622 WYYTZWTZIPJYSR-UHFFFAOYSA-N 324.384 2.610 0 50 DFAA CN(Cc1cn(-c2ccccc2)nn1)Cc1noc(C2CCC2)n1 72162216 WOMUZCFUKDSFFJ-UHFFFAOYSA-N 324.388 2.550 0 50 DFAA C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1cccnc1 174635092 JOBYCJTVZAPWKV-LBPRGKRZSA-N 309.369 2.733 0 50 DFAA O=C(NCCc1ccc(OCc2ccccc2)cc1)[C@@H]1CCNC1 178428166 AFDXSZGBWPOMDY-GOSISDBHSA-N 324.424 2.534 0 50 DFAA Cc1noc(CN(Cc2ccc(F)cc2)C2CCOCC2)n1 287824313 PVAGPXANMSBBDG-UHFFFAOYSA-N 305.353 2.698 0 50 DFAA O=C(O)[C@H]1C[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 263568856 HEHYDOPFJISONU-QWRGUYRKSA-N 301.264 2.841 0 50 DFAA Cc1cn2cc(C(=O)NCCCCc3ccccn3)ccc2n1 82091281 URXUEYQIKSPJMZ-UHFFFAOYSA-N 308.385 2.790 0 50 DFAA C[C@@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@@H](C)S1(=O)=O 290800178 OYNBVKFULZDMBY-GHMZBOCLSA-N 324.833 2.900 0 50 DFAA O=C(NC[C@@H](O)c1ccc(O)cc1)NC1CCCCCCC1 426711299 KCUMKHZVXVNEPN-MRXNPFEDSA-N 306.406 2.838 0 50 DFAA OC[C@@]1(Cc2ccccc2)CCCN(c2ncnc3[nH]ccc23)C1 292382941 QJMRWBMUOSDWCF-LJQANCHMSA-N 322.412 2.780 0 50 DFAA CCOc1cc(NCc2cc(Br)ccn2)ncn1 292680722 BEKRTRDQSDUJBP-UHFFFAOYSA-N 309.167 2.645 0 50 DFAA CCN(CCn1cccn1)C(=O)Nc1ccnn1[C@H](C)C(C)C 97495493 SMJMEJWYZJSDJM-CQSZACIVSA-N 318.425 2.851 0 50 DFAA Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H]1CCCNC1 237702683 LAXIRQODSPBIKZ-HNNXBMFYSA-N 309.413 2.786 0 50 DFAA CCc1ccc(CN(C)C(=O)CC[C@@H](C)N2CCCC2)nc1 426503106 GSFNMHAZFIXMRF-OAHLLOKOSA-N 303.450 2.867 0 50 DFAA COc1cc(NC(=O)NC2CCOCC2)c2ncccc2c1 95526900 LFZXVHHRAJKMDP-UHFFFAOYSA-N 301.346 2.544 0 50 DFAA C[C@H](Cc1cnccn1)NC(=O)c1ccc2cccc(F)c2n1 91986935 PPOGNOADRNXMID-LLVKDONJSA-N 310.332 2.525 0 50 DFAA O=C1CCCc2occ(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)c21 294752491 PHNWPUQFDDADGT-GFCCVEGCSA-N 313.357 2.889 0 50 DFAA Cc1ccc(-c2n[nH]cc2CN2CCS[C@H]3COCC[C@H]32)o1 230181771 IWHYDJZQOGBHTM-HIFRSBDPSA-N 319.430 2.684 0 50 DFAA Cc1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cs1 91270395 RARKRRAIJRTWTR-PXAZEXFGSA-N 323.458 2.696 0 50 DFAA N[C@H]1C[C@H](c2cc(NCc3ccc4c(c3)CCCO4)ncn2)C1 244887898 YQEIBDFIYYPGGL-SHTZXODSSA-N 310.401 2.618 0 50 DFAA C[C@@H](Cn1cccn1)NC1CCN(CCc2ccccc2)CC1 274153641 ZMEFBGKLOIKYQA-KRWDZBQOSA-N 312.461 2.568 0 50 DFAA Cc1nccn1CC[C@H](C)N1CCC(CN2CCCC2)CC1 821740556 SHIMRGYPEXSVRB-INIZCTEOSA-N 304.482 2.778 0 50 DFAA C[C@@H](Cn1cncn1)C(=O)N(Cc1cccc(Cl)c1)C1CC1 952965661 BEBAFQHBFCEWEI-LBPRGKRZSA-N 318.808 2.759 0 50 DFAA COC(=O)[C@H](c1ccccc1C)N1CCC[C@@H](n2cccn2)C1 221860550 SPRGYPRTERYQJB-WBVHZDCISA-N 313.401 2.743 0 50 DFAA Cc1cc(NC(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1O 170604248 NUMKJXZLQOAWDW-UHFFFAOYSA-N 311.345 2.935 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)c2cnn(C(F)F)c2)cc1)C(=O)O 630162482 LZRUQQKBRHIAHE-VIFPVBQESA-N 323.299 2.794 0 50 DFAA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cnsn1 187047403 GNNONSOWQKNTKS-ZANVPECISA-N 323.805 2.794 0 50 DFAA COc1ccc(F)cc1CC(=O)NC[C@H]1CCCO[C@@H]1C(C)C 186669218 ZJLZUOZEQPMCHM-FZKQIMNGSA-N 323.408 2.944 0 50 DFAA CC(=O)NC(C)(C)c1noc([C@H]2C[C@H]2c2ccc(F)cc2F)n1 193203002 ZHTKSYSMTJTVBS-RYUDHWBXSA-N 321.327 2.990 0 50 DFAA O=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1Cc2ccccc21 194259407 OJXZVJWILRCEST-AWEZNQCLSA-N 310.353 2.554 0 50 DFAA COc1cc(C)c(NC(=O)[C@@H](C(=O)O)C2CCCC2)cc1F 663052649 VAESSPIYIWCARG-AWEZNQCLSA-N 309.337 2.972 0 50 DFAA Cc1cnccc1CCNCc1ccncc1Br 585117606 NCKCIADTTPUNLB-UHFFFAOYSA-N 306.207 2.880 0 50 DFAA CC(C)C(=O)N1CCCN(CC2([C@H]3CCCO3)CCC2)CC1 1615586010 OLCQYNSUWPFNSF-MRXNPFEDSA-N 308.466 2.526 0 50 DFAA c1ccc2[nH]c(C[C@@H]3CCCN(CCn4ccnc4)C3)nc2c1 1529103589 DQTHEHKMYMUZKY-HNNXBMFYSA-N 309.417 2.714 0 50 DFAA O=C(C[C@H]1CCCO1)Nc1ccc(O)cc1Br 1875273726 OUCUENNBDUIIMG-SECBINFHSA-N 300.152 2.662 0 50 DFAA Cc1ccc(CN(C)C(=O)c2cn(C3CCCCC3)nn2)o1 11842984 PDQXGTQDYSBSDP-UHFFFAOYSA-N 302.378 2.957 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N=c1[nH]oc2ncccc12 1875249833 DQWAKDSUGCVBER-UHFFFAOYSA-N 320.308 2.860 0 50 DFAA COCc1nc([C@H]2CCCCN2Cc2cnoc2C2CC2)n[nH]1 408473679 AQMQSWSCEZEOEC-CYBMUJFWSA-N 317.393 2.544 0 50 DFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[C@@H](N)C1 236644864 RVYOHCFBBSXIKX-ZACQAIPSSA-N 316.445 2.883 0 50 DFAA c1cnc(-c2ccnc(N[C@H]3CCOC4(CCCC4)C3)n2)cn1 333541785 LETAOTTWINZQQA-ZDUSSCGKSA-N 311.389 2.837 0 50 DFAA COC(=O)c1ccc(C(=O)N(C)C[C@H](C)c2ccccc2)[nH]1 240423778 FQTJMDWBHGTCJC-LBPRGKRZSA-N 300.358 2.677 0 50 DFAA COc1ccc(C(=O)C[C@H](O)Cc2ccc3c(c2)OCO3)cc1 253470606 OJYHHDDPFZXRNZ-CQSZACIVSA-N 314.337 2.600 0 50 DFAA biogenic CCC1(CC)[C@@H](NC(=O)N(C)Cc2cscn2)C[C@@H]1OC 158095205 JVNXCBFJZCEXKK-STQMWFEESA-N 311.451 2.878 0 50 DFAA O=C1CCCN1Cc1ccc(Nc2ncnc3c2CCC3)cc1 590493436 AVIFFNOTXDPRSW-UHFFFAOYSA-N 308.385 2.831 0 50 DFAA NC[C@@H]1CC2(CCN(Cc3cncc4ccccc34)CC2)CO1 904391740 JACLMLQMNUFYJT-KRWDZBQOSA-N 311.429 2.565 0 50 DFAA CC(C)c1ocnc1C(=O)NC1(c2c(F)cccc2F)COC1 906453470 HFETWDYCUQCLKR-UHFFFAOYSA-N 322.311 2.732 0 50 DFAA Cc1cccc2oc(C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)cc12 824125859 HBUWNKVJXCMMLC-CZUORRHYSA-N 315.369 2.760 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ncc(C3CC3)o2)C1 888102917 VAXUDCLJOIJKRI-KGLIPLIRSA-N 316.405 2.854 0 50 DFAA O=C(CCCc1cccs1)N[C@H]1CCCC2(C1)OCCO2 253425619 AFJPHUWYZWTYCA-ZDUSSCGKSA-N 309.431 2.873 0 50 DFAA c1cc2c(cc1CNC1CSCCSC1)OCCCO2 584886013 HTMIDADBCWWLHF-UHFFFAOYSA-N 311.472 2.786 0 50 DFAA COC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1 111256 HFFQTXDCNSPSFG-UHFFFAOYSA-N 303.387 2.699 0 50 DFAA COc1ccc(C2(C(=O)NCc3ccco3)CCOCC2)cc1 619236 MAOVZZYAAMFIDU-UHFFFAOYSA-N 315.369 2.653 0 50 DFAA O=C(Nc1ncccn1)c1cnc2ccc(Cl)cc2c1O 12390986 CYBMENRMLFBZFY-UHFFFAOYSA-N 300.705 2.636 0 50 DFAA C[C@]1(CO)C[C@H](O)CN1Cc1cccc2cc(Cl)ccc12 2325793767 HHJVTOUOXKCMNA-DOTOQJQBSA-N 305.805 2.811 0 50 DFAA COc1ccnc([C@H]2CCN(Cc3noc4c3CCCC4)C2)c1 2325802400 FTLBGXZOJHACFY-ZDUSSCGKSA-N 313.401 2.947 0 50 DFAA CCOc1ccc(-c2cn(-c3cncc(C(=O)OC)c3)nn2)cc1 2325820804 DDFFCZPBZBXIEC-UHFFFAOYSA-N 324.340 2.515 0 50 DFAA COc1ccc([C@@H](C)Nc2nccc(=N)[nH]2)c(Br)c1 2325824802 QKKBIUSSISLOKP-MRVPVSSYSA-N 323.194 2.833 0 50 DFAA O=C(O)c1nccnc1C(=O)Nc1ccc(Cl)c(Cl)c1 187138 NZGAAYIBGMFDHO-UHFFFAOYSA-N 312.112 2.734 0 50 DFAA COC(=O)c1c(O)ccc(-c2ccc(OC)cc2)c1C(=O)OC 188759 YCJGBWAHHJYBMC-UHFFFAOYSA-N 316.309 2.641 0 50 DFAA biogenic O=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCCC1 237935 ONHIXJIDMOLMMC-UHFFFAOYSA-N 320.348 2.723 0 50 DFAA Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 466406 LJVZJWNZUXDPQW-UHFFFAOYSA-N 316.426 2.506 0 50 DFAA COC(=O)c1ccc(COC(=O)c2cccc(C)c2O)cc1 471342 MMWZPXIVBPEKOO-UHFFFAOYSA-N 300.310 2.844 0 50 DFAA CC(C)(C)c1ccc(COn2c(=O)c[n+]([O-])c3ccccc32)cc1 547935 DINIAOJMPHZWSF-UHFFFAOYSA-N 324.380 2.561 0 50 DFAA Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 990997 MKKMFXLAESXJNF-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 997779 RYCIWEAFLRNDAG-JTQLQIEISA-N 303.289 2.960 0 50 DFAA CC1=CC2(CCN(c3ncnc4onc(C)c34)CC2)OCC1 2356140034 QUZYECREQHXJIU-UHFFFAOYSA-N 300.362 2.632 0 50 DFAA Cc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1 3200099 DMLZIWRAJRMGEV-UHFFFAOYSA-N 310.397 2.723 0 50 DFAA Cc1cccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 4857772 DVVSRGSSIZPDQF-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA COc1ccc(CNCCc2ccc3c(c2)OCO3)c(OC)c1 4997049 HXWGXTHOJKGWOR-UHFFFAOYSA-N 315.369 2.765 0 50 DFAA COc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1 10543315 LKNAQSHDMFIKQN-UHFFFAOYSA-N 323.389 2.745 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)C(=O)N1c2ccccc2C[C@@H]1C 59769778 HLGBXCSTDYNOED-KBPBESRZSA-N 320.392 2.942 0 50 DFAA Cc1n[nH]cc1C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 345041450 XOPMMYGFOJASOL-NSHDSACASA-N 301.243 2.891 0 50 DFAA CSc1ccc(NC(=O)N[C@@H](CO)c2ccccc2)nc1 345211893 BJVFUSSQNXGWEV-ZDUSSCGKSA-N 303.387 2.659 0 50 DFAA O=C(N[C@@H](Cc1ccccc1)C1CC1)N[C@H]1C[C@H]2CC[C@H]1O2 247560778 KVWUWGRZVDRLTH-LTIDMASMSA-N 300.402 2.627 0 50 DFAA CCc1nc(CNC(=O)[C@@H](c2cccc(C)c2)N(C)C)cs1 65404601 JOFXQHXWZNJFFG-MRXNPFEDSA-N 317.458 2.933 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCc2nc(C)c3c(n2)CCCC3)n1 67688539 NPBAJRZMUWMEFR-CYBMUJFWSA-N 313.449 2.655 0 50 DFAA CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[C@H]1CCCO1 248161694 HKXLHDYVTDAUCF-BZUAXINKSA-N 324.465 2.632 0 50 DFAA CCOc1ccc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)o1 67688528 LOQFMIVNCCPXRH-ZDUSSCGKSA-N 303.362 2.579 0 50 DFAA Cc1cc(-n2cnnc2COc2ccccc2Cl)n(C)n1 67955741 BCXYXGAIKCGIFM-UHFFFAOYSA-N 303.753 2.542 0 50 DFAA C[C@H](CN(C)[C@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 230146810 UVYKQYGTRYBVOX-VXGBXAGGSA-N 303.855 2.808 0 50 DFAA CCc1ccc(O)c(C(=O)Nc2cccc(Cn3cncn3)c2)c1 354523714 YZFHUBDBBKGRFV-UHFFFAOYSA-N 322.368 2.847 0 50 DFAA O=C(O)c1ccn(CSc2c(F)c(F)cc(F)c2F)n1 2782836 OKJSYQVUEKPRDF-UHFFFAOYSA-N 306.240 2.888 0 50 DFAA C[C@H](NC(=O)N1CCCCO1)c1cnn(Cc2ccccc2)c1 253393207 YCKXKBGMRZDDQN-AWEZNQCLSA-N 314.389 2.729 0 50 DFAA Cn1c(Cl)cnc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 253394613 HOEVQTQLDSMHQV-CHWSQXEVSA-N 309.772 2.521 0 50 DFAA Nc1ncnc(N2CC[C@H](Oc3ccc(F)cc3)C2)c1Cl 365227523 FTANFMMIBDZQMH-NSHDSACASA-N 308.744 2.509 0 50 DFAA CSCc1noc(CNC(=O)c2cc(F)ccc2Cl)n1 219303803 SLSGOZHYBBQXNB-UHFFFAOYSA-N 315.757 2.655 0 50 DFAA Cc1c[nH]c(C(=O)NCCCc2nc3ccccc3s2)n1 219805776 BWQWZOBXIDRJEB-UHFFFAOYSA-N 300.387 2.690 0 50 DFAA Cc1cc(C)c2nc(C)cc(C(=O)NCc3nnc(C)o3)c2c1 77438931 YGFJRRGQUXXNIL-UHFFFAOYSA-N 310.357 2.781 0 50 DFAA CC[C@H](NC(=O)c1cccc(OC)c1OC)c1ncc(C)[nH]1 216021639 WTCXKCJWUVZXLD-LBPRGKRZSA-N 303.362 2.616 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cccc(F)c2)c1 282402003 HQRZXJHOQBXCCV-NVXWUHKLSA-N 315.344 2.782 0 50 DFAA Cc1ccccc1-c1noc([C@H](C)N2CCn3c(C)nnc3C2)n1 371847329 KZAQSFJDWKMEJJ-LBPRGKRZSA-N 324.388 2.522 0 50 DFAA CC(=O)c1cc(CN2CCN(Cc3cccnc3)CC2)cs1 215405332 HKANTECVHOMZMH-UHFFFAOYSA-N 315.442 2.664 0 50 DFAA CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c1 236912096 JHXYEGXOESQUSF-CYBMUJFWSA-N 305.374 2.802 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(CN)cc2)C[C@@H](c2ccsc2)O1 237524012 ACQZLHGRKSWAAV-LRDDRELGSA-N 316.426 2.809 0 50 DFAA Cc1ccccc1COc1ccccc1C(=O)N1CC[C@@H](N)C1 237750447 CMUVKAGQQDQJDR-MRXNPFEDSA-N 310.397 2.747 0 50 DFAA Cc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@H]2C3)N2CCCC2)o1 241371319 MMORBWUVDUACID-HRCADAONSA-N 317.433 2.919 0 50 DFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCCSCC(C)(C)O 242048002 VRYBKANDQBZHFT-MGPQQGTHSA-N 314.495 2.853 0 50 DFAA CCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 222293167 VQYRLWVHISGDGK-HUUCEWRRSA-N 323.820 2.682 0 50 DFAA C[C@@H]1CCN(C(=O)[C@H]2CSC(=O)N2)[C@@H]1c1cccc(F)c1 245409587 NAECCYKADFDYNN-WQAKAFBOSA-N 308.378 2.560 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)CSC12CC3CC(CC(C3)C1)C2 426494401 UCHDYFZUGUXVFT-DLUQRMLASA-N 323.458 2.764 0 50 DFAA Cc1cc2nc(CCNC(=O)CCc3cccnc3)[nH]c2cc1C 223239298 DQRNPCQKAVLATE-UHFFFAOYSA-N 322.412 2.866 0 50 DFAA C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2F)CC[C@@H]1O 225611933 JJWUHHCSLWPJMH-YGRLFVJLSA-N 313.800 2.986 0 50 DFAA O=C(COc1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222559946 VDVRJCKEPXQBRN-AITUJVMLSA-N 315.413 2.775 0 50 DFAA Cc1nn(C)c2nc(NCc3cncn3CC(C)C)sc12 95499760 HREICBXETDYGLT-UHFFFAOYSA-N 304.423 2.803 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CC[C@](C)(C(=O)O)C1 237115485 HKZFFPBKFDKAJN-YLZCUGDYSA-N 317.385 2.507 0 50 DFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)NCCc1ccccc1 426423424 MOEBRLPXTVLVFX-UHFFFAOYSA-N 312.417 2.673 0 50 DFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)CCC(F)(F)F 237579709 ATBGRICPKVMVJF-LLVKDONJSA-N 303.280 2.970 0 50 DFAA COCCc1nc([C@@H](C)n2ccnc2)n(C2CCCCC2)n1 96138034 SSVQDQJBXPMTHX-CYBMUJFWSA-N 303.410 2.778 0 50 DFAA Cc1cc(C)c2[nH]c(CNCCNc3cccnc3)cc(=O)c2c1 91435364 SKVZGTPYCDPVSV-UHFFFAOYSA-N 322.412 2.742 0 50 DFAA CC[C@H](C(=O)N1CCOc2ccc(Cl)cc2C1)n1cccn1 91649905 QEWWOSBWEJEKAS-CQSZACIVSA-N 319.792 2.909 0 50 DFAA CC(C)(CN1CCOCC1)CN1CC[C@@H]1c1ccc(F)cc1 97785453 SKWBQKGJPBSXHH-QGZVFWFLSA-N 306.425 2.931 0 50 DFAA CN(c1ccccc1)[C@H]1CCN(C(=O)CCc2cccnc2)C1 619992856 YCQZUYZHLZMFIE-SFHVURJKSA-N 309.413 2.752 0 50 DFAA CN1CCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)nc21 1940198306 DATLFBGURQPMEV-MRXNPFEDSA-N 307.397 2.881 0 50 DFAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1cccc2cn[nH]c12 299765809 XUEJNQMJSRSRJM-CYBMUJFWSA-N 302.378 2.986 0 50 DFAA CCc1c(C)nn(CCNC(=O)c2ccccc2C(C)=O)c1C 299756337 HFIADPVKBMFGLE-UHFFFAOYSA-N 313.401 2.695 0 50 DFAA Cc1cccc(CSCCCNC(=O)N2CCOCC2)c1 584886586 OCYBWESGBRTTOP-UHFFFAOYSA-N 308.447 2.660 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1 241815981 SEQFIFNQUKLQMX-BYNSBNAKSA-N 310.438 2.543 0 50 DFAA CN(C(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccc(C(F)(F)F)nn1 1433464897 CQZSVDHWUZASPB-WDEREUQCSA-N 322.290 2.657 0 50 DFAA O=C(CO)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 408514271 SJBHVDPHIYXRPY-VIFPVBQESA-N 315.213 2.807 0 50 DFAA Cc1csc([C@H]2COCCN2Cc2cnn(C(C)C)c2)n1 170602083 YDLURECZXVAFJB-CQSZACIVSA-N 306.435 2.802 0 50 DFAA O=C(Cc1cccc2ccccc12)NC1(c2nnc[nH]2)CCC1 190367750 XYKKOPJAGIHXQK-UHFFFAOYSA-N 306.369 2.696 0 50 DFAA Cc1cc(C)c(N2CC[C@@H](NC(=O)c3ccoc3)C2=O)c(C)c1 190584389 CQZJGHNKHRBDPT-OAHLLOKOSA-N 312.369 2.740 0 50 DFAA CCn1cc(CC(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)cn1 648503716 FIHVBRCLPZXJOG-AWEZNQCLSA-N 323.400 2.890 0 50 DFAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)C1CCC(O)CC1 194396378 AHHFJJPQVWXEEH-WIHSUSGWSA-N 316.445 2.795 0 50 DFAA CC(=O)N1CCc2cc(Nc3ncnc4onc(C)c34)ccc21 195506400 BHORYQMVSRGOAM-UHFFFAOYSA-N 309.329 2.579 0 50 DFAA Cc1ncc(C)c(NC(=O)N[C@H](CCCO)c2ccccc2)n1 585086465 IIGFIVJKOUZSJM-OAHLLOKOSA-N 314.389 2.729 0 50 DFAA CC(C)CO[C@H](C)C(=O)NCc1nc(-c2ccccn2)cs1 585130127 ISVYZXBUWDXVIZ-GFCCVEGCSA-N 319.430 2.882 0 50 DFAA O=C(CSC[C@H]1CCCCO1)Nc1cnn2ccccc12 585125129 HVDLVVYCTNLWID-GFCCVEGCSA-N 305.403 2.575 0 50 DFAA CSc1cccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1 1704342334 MKLADOVETPULBK-QLFBSQMISA-N 304.459 2.755 0 50 DFAA N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Br)C1 158417677 DBXXCQHEFGEOFO-VIFPVBQESA-N 317.614 2.666 0 50 DFAA CS[C@@H](C)c1nc(-c2ccc(C)o2)nn1-c1ccnn1C 1772806208 WAZXLZUAJKJWAP-JTQLQIEISA-N 303.391 2.993 0 50 DFAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cccc(F)c1O 1772711992 ZIHVKGGCRLFUKI-GFCCVEGCSA-N 314.238 2.960 0 50 DFAA O[C@H]1C[C@@H]2CN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 1772700919 GFZJTYWBOGFOTJ-UGFHNGPFSA-N 303.793 2.543 0 50 DFAA Cc1ccc(NC(=O)CS(=O)(=O)Cc2cccc(C)c2)cc1 5010537 BMISQCOPXHCVRX-UHFFFAOYSA-N 317.410 2.857 0 50 DFAA CCCCc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 11278374 HCZCMSVCGLMGCA-UHFFFAOYSA-N 316.386 2.967 0 50 DFAA Cc1ocnc1C(=O)N[C@H]1CCCN(CC2CCCCC2)C1 12596970 LVSDYFXJCJTFEY-HNNXBMFYSA-N 305.422 2.758 0 50 DFAA COc1c(F)c(F)c(C(=O)Nc2nccs2)c(F)c1F 12651429 GKVODFWJLVHOPU-UHFFFAOYSA-N 306.240 2.960 0 50 DFAA O=C(CN1CCCC1)Nc1ccc(Br)cc1F 7786134 PAZOEUJYJNQEPD-UHFFFAOYSA-N 301.159 2.623 0 50 DFAA CCN1CCC(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)CC1 16580425 UBMBFLQSTGFEMQ-CQSZACIVSA-N 316.445 2.543 0 50 DFAA COc1c(C)cc(C)cc1-c1nccn1C[C@@H]1CN(C)CCO1 1857700459 HZXMPLFTWQJKSZ-HNNXBMFYSA-N 315.417 2.506 0 50 DFAA Nc1c(F)cc(Cl)cc1C(=O)N1CCO[C@@H](c2ccco2)C1 225805532 MGBKRLGREZLFPP-CYBMUJFWSA-N 324.739 2.868 0 50 DFAA C[C@H](Cc1ccc(NC(=O)c2cnn(C3CC3)c2)cc1)C(=O)O 630163340 WDZVHQNVQRDKJK-LLVKDONJSA-N 313.357 2.734 0 50 DFAA O=C(NC[C@@H]1CCCC[C@H]1O)Nc1ccc(C(F)(F)F)nc1 132469609 JJORDHGXFAESMD-GXSJLCMTSA-N 317.311 2.773 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)Nc1cc(F)cc(F)c1O 818028413 OFKCTBKPMROPII-UHFFFAOYSA-N 316.304 2.524 0 50 DFAA Cc1nc([C@H]2CCN(C3CC(OCc4ccccc4)C3)C2)n[nH]1 930727023 ZWAHRXSVCVPTHQ-GTPINHCMSA-N 312.417 2.650 0 50 DFAA Cc1cc(=N[C@H](CCO)C2CC2)[nH]c(N(C)c2ccccc2)n1 1875361088 PMNICKNXZPUTPJ-MRXNPFEDSA-N 312.417 2.548 0 50 DFAA O=C(NCc1ccc(F)cc1)c1nc(-c2cccs2)no1 1428543 QYSNHRPXOFXTMZ-UHFFFAOYSA-N 303.318 2.867 0 50 DFAA Cc1cc(CC(=O)Nc2ccn([C@H](C)c3ccccc3)n2)on1 1445862199 DMGVXKABMVBQJN-CYBMUJFWSA-N 310.357 2.970 0 50 DFAA C[C@@H]1CN(C(=O)Nc2cnc(N(C)C)nc2)[C@@H]1c1ccccc1 120030381 GKXHSHJBBNZROH-DOMZBBRYSA-N 311.389 2.768 0 50 DFAA COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 217013 XSTUNGJHZPJANP-UHFFFAOYSA-N 311.219 2.795 0 50 DFAA Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)c2ccccc2)cc1 1218578 OUIDBQBJLMBIKO-ZDUSSCGKSA-N 318.398 2.744 0 50 DFAA COc1ccc(Cn2cc(-c3c(C)nn4cccnc34)cn2)cc1 2356145823 JVZILTBCLBOCNM-UHFFFAOYSA-N 319.368 2.958 0 50 DFAA O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCCCC1 2838569 QYEMNLZXQXATAD-UHFFFAOYSA-N 301.173 2.944 0 50 DFAA COc1c(C)cc(S(=O)(=O)Nc2cccnc2)c(C)c1C 4970397 VCSMDHJQGUKUHW-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA Cc1cc(C)n(-c2cc(-c3ccccc3)nc3nc(C)nn23)n1 6747644 SDDHTWPXZXCHFT-UHFFFAOYSA-N 304.357 2.902 0 50 DFAA O=C(O)c1cc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1Cl 100556115 GWCWRRPHCPTGIU-AOOOYVTPSA-N 307.733 2.718 0 50 DFAA COc1cc(CNC(=O)c2ccc(C)cc2)cc(OC)c1OC 8062660 FHHCDWMGBPKNMO-UHFFFAOYSA-N 315.369 2.951 0 50 DFAA C[C@@H]1C[C@H]1C(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 225662466 VDJYKSIDUDOJCO-GMSGAONNSA-N 309.728 2.801 0 50 DFAA O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 22016198 MGXFBFVUGSWNKX-UHFFFAOYSA-N 314.728 2.835 0 50 DFAA O=C(NC1CC1)[C@H]1CCCN1c1ccnc2c(F)cc(F)cc12 134896950 WOWPCJJRXZQQEP-OAHLLOKOSA-N 317.339 2.760 0 50 DFAA C[C@@H](NC(=O)[C@H]1CN(C)C(=O)c2ccccc21)c1ccccc1 345911116 SPNDCHYBMSUDFV-DYVFJYSZSA-N 308.381 2.733 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCCn2nc(C)c(Cl)c2C)n1 67725118 JFJAMPNJKYCLNH-LLVKDONJSA-N 309.845 2.645 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2C)c1 27244247 WRVYZRVRCIWSJV-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA CCn1nccc1CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 253396720 FWKWENKZFVCQTQ-PBHICJAKSA-N 321.371 2.532 0 50 DFAA Cc1ccc(CC(=O)Nc2cncnc2N2CCCC2)s1 137375822 REPUDPGBKMXUJH-UHFFFAOYSA-N 302.403 2.628 0 50 DFAA CN(Cc1nccn1Cc1ccccc1)c1ncnc2[nH]ccc12 65410410 HXVVRKYKUYBJHH-UHFFFAOYSA-N 318.384 2.839 0 50 DFAA Cc1nc(/C=C\C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cs1 314534021 SNEYHODWWIAXOM-YYWDSJPTSA-N 320.414 2.709 0 50 DFAA CCCc1ncc([C@@H]2CC(=O)Nc3cc(O)c(OC)cc32)cn1 65397455 NKQDQVPXUHTGKR-NSHDSACASA-N 313.357 2.617 0 50 DFAA CCOc1ccccc1-c1nn([C@@H](C)C(=O)N(C)C)cc1C 60202756 HPTCGJDTEOIKPH-ZDUSSCGKSA-N 301.390 2.906 0 50 DFAA CCC[C@@H](C(=O)NCc1cccnc1-n1ccnc1)n1cccc1 67712933 XQGDLELBSNMYCB-INIZCTEOSA-N 323.400 2.726 0 50 DFAA O=C1CC[C@@H](C(=O)N2CCOCc3ccccc32)n2cccc21 329964724 TZXPXQBMKXPOHK-INIZCTEOSA-N 310.353 2.569 0 50 DFAA CCc1ccc(/C=C/C(=O)NCc2nnc(S)n2C(C)C)o1 125084782 ZJMDUSMCSHFBHH-BQYQJAHWSA-N 320.418 2.633 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccncc3)C2)nc1 125256555 JUXMUJZQUCILKH-MRXNPFEDSA-N 310.401 2.636 0 50 DFAA O=C(NCC1CCCCC1)[C@H]1CCCN1C[C@H]1CCC=CO1 253370362 PVSFBYAHONVDHR-IAGOWNOFSA-N 306.450 2.840 0 50 DFAA CO[C@@H](CNc1ncnc2[nH]ccc12)c1cccc(Cl)c1 361171555 NNOFGLMNPAZIIB-ZDUSSCGKSA-N 302.765 3.411 0 50 DFAA C[C@@H](C(=O)N1CCC([C@@H]2C[C@@H](N)CCO2)CC1)c1ccccc1 333271203 KMRIPJDTHGSFRQ-JLSDUUJJSA-N 316.445 2.535 0 50 DFAA Cc1noc(C)c1C[C@H](C)C(=O)N1CCCC[C@H]1CCC(=O)O 237512127 MQJQVCYHZAFNFR-FZMZJTMJSA-N 322.405 2.716 0 50 DFAA Cc1ccc(SCCC(=O)N[C@H]2CCNC[C@H]2C)cc1C 262700039 ANRRDVXVDHHLDZ-ZBFHGGJFSA-N 306.475 2.900 0 50 DFAA CN(Cc1cn(-c2ccccc2)nn1)Cc1cnc2ccccn12 72126704 HSUUZRCIRNGVEB-UHFFFAOYSA-N 318.384 2.547 0 50 DFAA CN(C[C@@H]1CCCC[C@H]1O)C(=O)N[C@H]1CCc2ccccc21 241171075 KDZUCMDJUGHDJH-BHYGNILZSA-N 302.418 2.866 0 50 DFAA CC(C)[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ncnn1C 223065578 IMBSJXZHEKTVQY-LBPRGKRZSA-N 324.331 2.544 0 50 DFAA CCc1cc2c(=O)n([C@H](C)Cc3cnccn3)cnc2s1 43073332 YFWMDFHQUHEUNY-SNVBAGLBSA-N 300.387 2.614 0 50 DFAA CC(C)=CCN1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 426361281 MEWKEYFIKWVFAG-INIZCTEOSA-N 317.481 2.557 0 50 DFAA O[C@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccccc1F 222199459 FPSLOCIIMRDWCA-WMLDXEAASA-N 315.392 2.688 0 50 DFAA Cc1nccnc1N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 290949721 MQHVDHYKRKGGGB-CQSZACIVSA-N 321.327 2.964 0 50 DFAA Cc1cc(N2CCC([C@@H](C)N3CCN(C)CC3)CC2)cc(C)n1 96159951 MQBDUMLJGLYSEF-QGZVFWFLSA-N 316.493 2.551 0 50 DFAA CC(C)(C)c1csc(Cn2cc([C@H]3CCCNC3)nn2)n1 95386796 QGIUZIAGFAGCQY-NSHDSACASA-N 305.451 2.547 0 50 DFAA COCC[C@]1(O)CCN(c2cc(C(F)(F)F)ccn2)C[C@H]1C 91872749 SUNYPVPJEKKLFX-BXUZGUMPSA-N 318.339 2.714 0 50 DFAA Fc1ccc(-c2cc(-c3nc([C@@H]4CCOC4)no3)[nH]n2)cc1 96151501 MWYFCMWNHZVKJG-SNVBAGLBSA-N 300.293 2.770 0 50 DFAA CN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H]1c1ccccc1 180143968 FWWQUEFQFBDWQC-YOEHRIQHSA-N 311.385 2.727 0 50 DFAA CSCC[C@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 237307955 RTPUWOJNHITMQX-YCPHGPKFSA-N 306.475 2.780 0 50 DFAA CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]2C(C)=NN=C2C[C@]1(C)O 239377505 OATADCACUCTNIL-VQHPVUNQSA-N 302.349 2.716 0 50 DFAA CC(C)[C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1N(C)C 95360232 RHRVKXWWFYENGG-ZWKOTPCHSA-N 318.461 2.890 0 50 DFAA CC(C)c1noc2ncc(C(=O)Nc3cnn(CCF)c3)cc12 628765466 TWTBKXFOUHWFOT-UHFFFAOYSA-N 317.324 2.765 0 50 DFAA Cc1csc(CNC(=O)N2CC[C@@H](Oc3ccccc3)C2)n1 363063895 NQNJEWXUUZMAQJ-CQSZACIVSA-N 317.414 2.814 0 50 DFAA CCc1nccn1CC(=O)N1CC[C@H](c2ccc(F)cc2)C1 299800276 WKFHSVWBOMVLNM-AWEZNQCLSA-N 301.365 2.601 0 50 DFAA CC1=NO[C@@](C)(C(=O)N2CCc3[nH]c4c(C)cccc4c3C2)C1 299786639 XITDHKPSSOXGNT-GOSISDBHSA-N 311.385 2.916 0 50 DFAA CCc1nccn1CCC(=O)NCCn1ccc2ccccc21 823557103 CKQUDFANUXJTOO-UHFFFAOYSA-N 310.401 2.607 0 50 DFAA CCC(=O)Nc1cc(NC(=O)[C@H](C)n2cccn2)ccc1C 822535023 RLKWNSQENDFRBV-LBPRGKRZSA-N 300.362 2.740 0 50 DFAA Cc1ccc(-c2nc(CC(N)=O)nn2C2CCCCC2)s1 584889513 YRMOCKUQJBLLGE-UHFFFAOYSA-N 304.419 2.848 0 50 DFAA CCC[C@@H](CNS(=O)(=O)c1c(C)cccc1Cl)N(C)C 670462981 DHFDUPSGMINDPL-LBPRGKRZSA-N 318.870 2.657 0 50 DFAA Cc1n[nH]c(C)c1CNC1CCN(c2cccc(F)c2)CC1 1434507276 RODGDDXBLJBMRP-UHFFFAOYSA-N 302.397 2.924 0 50 DFAA COc1nc(N[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ncc1F 952869570 VHLHJRUPKJBADX-GSJYNZTBSA-N 321.396 2.756 0 50 DFAA O=C(Nc1ccc(O)cc1)Nc1ccnn1Cc1ccccn1 170604287 PHVPMXAQIPRCBZ-UHFFFAOYSA-N 309.329 2.676 0 50 DFAA CCN1C(=O)N(c2cccc(C)n2)C(=O)[C@@H]1Cc1ccccc1 170613918 UHZHJOMLKRVGAC-HNNXBMFYSA-N 309.369 2.790 0 50 DFAA CC(C)c1ncc(Cl)c(C(=O)N2CCc3ccncc32)n1 272431912 QVZCGSLSTZXYBG-UHFFFAOYSA-N 302.765 2.851 0 50 DFAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2cccs2)C1 275646384 NYZOWXCKPGBIEG-GFCCVEGCSA-N 317.414 2.503 0 50 DFAA CN1CCCC[C@H]1CCN1CCC(Oc2ncccc2F)CC1 278041337 CLQQYCICTZGXKY-HNNXBMFYSA-N 321.440 2.938 0 50 DFAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc2c1OCCO2 188702112 KPVUOPNEZMPHNJ-WBMJQRKESA-N 319.401 2.639 0 50 DFAA CCc1nc(C)ccc1OCc1nnc([C@@H]2CCCOC2)o1 643649715 IAHBUCNLBNAPIN-GFCCVEGCSA-N 303.362 2.808 0 50 DFAA O=C(O)[C@H]1CN(C(=O)CCc2ccsc2)c2ccccc21 192937300 RHLZDOBMFOSTEC-ZDUSSCGKSA-N 301.367 2.896 0 50 DFAA OCCCN1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 585133210 ATBZXZCNQGHRQE-LJQANCHMSA-N 311.425 2.769 0 50 DFAA Cc1nc(N2C(=O)N[C@](C)(c3ccccc3)C2=O)sc1C 761031893 MLXASXDQZDGNTA-OAHLLOKOSA-N 301.371 2.732 0 50 DFAA O=C(NCc1cccc(C(F)(F)F)n1)NC[C@H]1C[C@@H]1C1CC1 1615627514 GWHCCTKGCLHUBE-ZYHUDNBSSA-N 313.323 2.946 0 50 DFAA Cc1ccc(N2C[C@H](NC3CSCCSC3)CC2=O)cc1 1506405585 CRFXSIHDTVTFAP-CYBMUJFWSA-N 322.499 2.539 0 50 DFAA CCCn1nc(C)cc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 1529173620 NNUBNKSXNLNKDC-ZDUSSCGKSA-N 319.405 2.806 0 50 DFAA CCS(=O)(=O)c1ccc(N[C@@H](CO)c2ccsc2)cc1 225523469 KUEZTIVUBSZVJM-AWEZNQCLSA-N 311.428 2.687 0 50 DFAA CC(C)(C)c1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1 1772710346 UODWXXMPCKSRBL-IEBWSBKVSA-N 303.446 2.815 0 50 DFAA CCC1=NO[C@H](CN2CCC(Cc3ccc(O)nc3)CC2)C1 1772816577 WBGOOTHULLPOIC-INIZCTEOSA-N 303.406 2.597 0 50 DFAA CCn1ncc(C(=O)Nc2ccc(Br)cn2)c1C 12649462 QFTPYMFGYQGARX-UHFFFAOYSA-N 309.167 2.621 0 50 DFAA CCc1nccc(-c2nccn2-c2cc(C(=O)NC)ccc2C)n1 1857740778 ZAHBUARJPZUSHE-UHFFFAOYSA-N 321.384 2.560 0 50 DFAA O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1 121416086 CCTSODGRZFZZJK-BXUZGUMPSA-N 321.327 2.533 0 50 DFAA Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 123509801 XTEPZGSJZBTESP-BBRMVZONSA-N 315.417 2.509 0 50 DFAA O=C(N[C@@H]1CCCOc2ccccc21)c1cc2n(n1)CCCC2 333606777 WBSQNTVYKHEGLG-OAHLLOKOSA-N 311.385 2.863 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)CCCc1nc2ccccc2s1 237487772 JYRLLZHVTAMTFM-STQMWFEESA-N 317.458 2.957 0 50 DFAA Cc1cc([C@@H]2CCCN(C(=O)Cc3c(C)noc3Cl)C2)n[nH]1 368660908 WNPMYLQFBWRZBH-LLVKDONJSA-N 322.796 2.617 0 50 DFAA Cn1ccnc(N2CCC(c3ccnc4ccccc34)CC2)c1=O 585092474 YVXIDVMFEPGYBH-UHFFFAOYSA-N 320.396 2.713 0 50 DFAA CN(C)c1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cn1 264437627 MATACMUGADDPLQ-CQSZACIVSA-N 313.376 2.916 0 50 DFAA O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cncc(C(=O)O)c1 902040572 PTSWLKMRMCELJS-FZMZJTMJSA-N 310.300 2.934 0 50 DFAA CC(C)(C)c1cc(CN2CC(=O)NC[C@@H]2c2ccccc2)no1 933325181 JFSWETNUQDHANG-OAHLLOKOSA-N 313.401 2.645 0 50 DFAA CC(=O)Nc1ccc(CN[C@H]2CCOC3(CCCC3)C2)cn1 872066730 LBOLUCSQEHHWMC-HNNXBMFYSA-N 303.406 2.621 0 50 DFAA CNc1cc(N2CC[C@@](F)(c3cccc(OC)c3)C2)ncn1 1875272085 ZUDHILYBPVAPFT-INIZCTEOSA-N 302.353 2.602 0 50 DFAA Cc1ccccc1[C@@H](C)NC(=O)[C@@H](N)Cc1n[nH]c2ccccc12 1875294221 NKKTWWPJNBHJKH-CJNGLKHVSA-N 322.412 2.619 0 50 DFAA CN1C(=O)CCC[C@H]1C(=O)NCc1ccc(-c2ccco2)cc1 1875274502 FBLRIDFSUXYGHG-HNNXBMFYSA-N 312.369 2.574 0 50 DFAA COc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)on2)c1 1875262189 MGJAPUPHRIFBOB-UHFFFAOYSA-N 310.375 2.782 0 50 DFAA Cc1cnccc1N(C)C(=O)c1ccn(CCC(F)(F)F)n1 1875276091 MZNHKYRWVXCXNL-UHFFFAOYSA-N 312.295 2.816 0 50 DFAA C=CC(=O)N[C@@H](CC)C(=O)N[C@H](C)c1ccc(Cl)s1 1875371354 YBGSIHCKFWGDKV-BDAKNGLRSA-N 300.811 2.660 0 50 DFAA O=C(Cc1cn2cc(F)ccc2n1)N1CC[C@H]1C1CC(F)(F)C1 1875308396 DGYMWWCBBSMHPN-ZDUSSCGKSA-N 323.318 2.662 0 50 DFAA CC1(C)CO[C@@H](CN2CCCN(c3ncccc3F)CC2)C1 878484535 QGCHCSRGWQYVGM-CQSZACIVSA-N 307.413 2.548 0 50 DFAA Cc1nnc([C@H]2CCCN(Cc3ccn(C(C)C)n3)[C@H]2C)o1 886078248 QWFSRCJHBPOHMW-WFASDCNBSA-N 303.410 2.924 0 50 DFAA O=C(CC1(CO)CCC1)N1Cc2ccc(Br)cc2C1 1775999462 RPLYCHYXCCFVDO-UHFFFAOYSA-N 324.218 2.844 0 50 DFAA Cc1nc([C@@H]2CN([C@@H](C)c3ncc(C)o3)C[C@H]2C2CC2)n[nH]1 1775985648 COOKHVLURBEEQV-LEWSCRJBSA-N 301.394 2.596 0 50 DFAA O=C(C[C@@H]1CCC2(CCC2)CO1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 899172431 CCOSLAGUUISMCJ-NXOAAHMSSA-N 321.461 2.878 0 50 DFAA COCc1nn2c(=O)cc(C)[nH]c2c1-c1ccc(Cl)cc1 18217626 BGVXOSUGXWRPNY-UHFFFAOYSA-N 303.749 2.798 0 50 DFAA CC(C)(CC1CCOCC1)NCc1cccc(-c2nn[nH]n2)c1 2325812721 BNGUOBFNGZNWPJ-UHFFFAOYSA-N 315.421 2.552 0 50 DFAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncccc1C 104262 PYCYGSLVVOXJHQ-OAHLLOKOSA-N 300.314 2.688 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2ccccc2NC(C)=O)c1 447359 ZWPXOVSHOQRVPU-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA CCOc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21 470065 UJSHFUKDRCJQII-UHFFFAOYSA-N 312.325 2.632 0 50 DFAA biogenic COCc1nnc(NC(=O)CCSc2ccccc2)s1 1061558 WHEVHSWGYOGREI-UHFFFAOYSA-N 309.416 2.805 0 50 DFAA C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)c2ccccc2N1 2463985 DQRJVWQUFDYTEQ-SFHVURJKSA-N 310.353 2.920 0 50 DFAA Cc1nc2ccnn2c(NC[C@H]2COc3ccccc3O2)c1C 2356149901 YDSSKFXYTGYXGI-ZDUSSCGKSA-N 310.357 2.598 0 50 DFAA O=C(NCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 2497350 HHYGDNYIXLLHRB-UHFFFAOYSA-N 315.200 2.668 0 50 DFAA CCOC(=O)[C@](O)(c1ccc(NC(C)C)cc1)C(F)(F)F 2499457 BUGSKODEGJMGJW-CYBMUJFWSA-N 305.296 2.820 0 50 DFAA CCN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 2615804 CZIFVRXGEQFISW-UHFFFAOYSA-N 302.447 2.712 0 50 DFAA COCCCNCCCOc1cccc(Br)c1 3462026 NENMICOIIJAANU-UHFFFAOYSA-N 302.212 2.844 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 20058257 UHCWZRCOXMJPIW-UHFFFAOYSA-N 318.373 2.552 0 50 DFAA Cc1cccc(-n2nc(CC(C)C)nc2CCCC(N)=O)c1 65427188 JFHIETFHLSVFJX-UHFFFAOYSA-N 300.406 2.582 0 50 DFAA O=c1c(CN2CCC[C@H](CO)C2)coc2ccc(Cl)cc12 23281824 BTXZFKMAFSKRMW-NSHDSACASA-N 307.777 2.651 0 50 DFAA COC[C@H](NC(=O)N1CCCO[C@H]2CCC[C@H]21)c1ccc(C)o1 230192875 HHKQVNLTJJXQHS-LZWOXQAQSA-N 322.405 2.629 0 50 DFAA COCc1cc(N2CCCC[C@H]3CCCC[C@H]32)n2ncnc2n1 230203516 NRJSSAWMXMCIHL-UKRRQHHQSA-N 315.421 2.820 0 50 DFAA Cc1nc([C@@H](C)n2cnc3ccccc32)n(-c2ccccn2)n1 65496901 TUJQYOSIWGBSOE-GFCCVEGCSA-N 304.357 2.930 0 50 DFAA COc1cc(C)nc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 253397436 UNESVXKAHKCRRJ-WMZOPIPTSA-N 316.376 2.846 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N1CC[C@](C)(C(=O)O)C1 237246950 LLTDJPYTTKAKLV-PXAZEXFGSA-N 305.374 2.512 0 50 DFAA Cc1cccc2[nH]cc(CC(=O)N3CC[C@@H](c4nccn4C)C3)c12 371044578 RNSIQOQBEDSFSG-CQSZACIVSA-N 322.412 2.768 0 50 DFAA Cc1cccc2ncnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)c12 242284600 YIBGDQDSAMBZGH-KSSFIOAISA-N 313.401 2.713 0 50 DFAA Cn1cc(CC(=O)N(CC2CCCCC2)c2ccccn2)cn1 157517101 LWTBJMBCLAHKFK-UHFFFAOYSA-N 312.417 2.971 0 50 DFAA O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(C(=O)O)nc1 238052334 LXIZDNYDVZYFJU-NXEZZACHSA-N 316.279 2.631 0 50 DFAA CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)on2)C12CCC2 178127145 IQEZMTPNFCCYQP-GJZGRUSLSA-N 304.390 2.972 0 50 DFAA CCc1occc1C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 263557883 ZRKMJVOLPGVUCW-LSDHHAIUSA-N 313.353 2.782 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)s2)C1 178261095 YRYKLELNLZLYEG-GFCCVEGCSA-N 301.367 2.962 0 50 DFAA O=C(NC[C@@H]1C[C@H](F)CN1)C1c2ccccc2-c2ccccc21 82157463 WIZFCFUJVOUJEQ-STQMWFEESA-N 310.372 2.615 0 50 DFAA CCn1nc(C)nc1-c1ccc([C@@H](C)N2CCOCC2)cc1 426538100 NHPPGESBPWYVCF-CYBMUJFWSA-N 300.406 2.667 0 50 DFAA Cn1ccnc1-c1ccc(C(=O)NCc2cc(C3CC3)on2)cc1 426737571 WTJAJUDSLCXKBV-UHFFFAOYSA-N 322.368 2.883 0 50 DFAA Cc1ccccc1[C@@H](O)CNC(=O)CC1CCN(C(C)C)CC1 95518203 MTEPVEXCSKLPPU-SFHVURJKSA-N 318.461 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310.482 2.651 0 50 DFAA OCC[C@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1 12302011 DKIBYVXMQYITLW-OAHLLOKOSA-N 319.380 2.536 0 50 DFAA CC(C)CN1C(=O)CC[C@H]1CCNCCOc1ccccc1 12456053 YKRQZVSVABRUGQ-INIZCTEOSA-N 304.434 2.692 0 50 DFAA CC(C)c1n[nH]cc1NS(=O)(=O)c1cccc2c1O[C@@H](C)C2 1857532397 YLTXYAWFQOOIMZ-JTQLQIEISA-N 321.402 2.657 0 50 DFAA CN(C)C(=O)Cc1ccc(-n2ccnc2-c2cnsc2)cc1 1857693074 HABJFNZSOPWUQE-UHFFFAOYSA-N 312.398 2.627 0 50 DFAA Cc1nc(CC(=O)Nc2nc3c(o2)CC(C)(C)CC3=O)cs1 1875246396 FMHAYMBGMBWOJP-UHFFFAOYSA-N 319.386 2.776 0 50 DFAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 408513204 PLQWPYDGTNTLLV-DVVUODLYSA-N 315.291 2.740 0 50 DFAA Cc1ccnc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)n1 408523896 VZBFQQSBZLLGGC-UHFFFAOYSA-N 320.400 2.954 0 50 DFAA CC(C)N(C)c1ccccc1NC(=O)[C@@H]1CCCCC(=O)N1 424055534 FGRQSZCKAWYUAZ-AWEZNQCLSA-N 303.406 2.529 0 50 DFAA C[C@@]1(CNCc2ccnn2-c2ccccn2)CCO[C@H]1C1CC1 647202785 PUTOBKREHMVXLF-ROUUACIJSA-N 312.417 2.562 0 50 DFAA 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2.837 0 50 DFAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cscn1 264004567 MFUOTABMJLYRIX-ZDUSSCGKSA-N 304.371 2.953 0 50 DFAA O=C(CSCc1ccccc1Cl)N1CCC[C@@H](O)CC1 584898708 LEQZTTBJMDGUIZ-CYBMUJFWSA-N 313.850 2.947 0 50 DFAA O=S(=O)(CC1CCCC1)NCc1ccnc2ccccc12 828387681 KYACMNPCMCFILN-UHFFFAOYSA-N 304.415 2.844 0 50 DFAA O=C(CCc1ccncc1)NCCN1CCCc2ccccc21 586755970 BVJLHDLFSGWUAM-UHFFFAOYSA-N 309.413 2.583 0 50 DFAA CC(C)Cc1nc(CN(C)C(=O)NCc2cccc(F)c2)no1 952965595 AWLAYFIUNARYFN-UHFFFAOYSA-N 320.368 2.749 0 50 DFAA Fc1ccc([C@H](CCNC[C@H]2[C@@H]3CNC[C@H]23)c2ccco2)cc1 952974687 VCJADSWNKHECIL-XLAORIBOSA-N 314.404 2.996 0 50 DFAA CCCOc1c(Cl)cccc1NC(=O)C[C@@H](C)NC(C)=O 952976271 VFUZZMSJHYOCQX-SNVBAGLBSA-N 312.797 2.982 0 50 DFAA Cc1ccsc1[C@H](CNC(=O)CN1CCCCCC1)N(C)C 952980288 ZBHRDFZOGPUMRI-HNNXBMFYSA-N 323.506 2.651 0 50 DFAA CCc1oc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cc1C 408469883 XEPFIFDPOLDUAM-LBPRGKRZSA-N 302.378 2.944 0 50 DFAA COC(=O)c1nc(Cl)cc(N(C)[C@H](C)c2ccccn2)n1 408523917 OLAZJQPRUKFSAT-SECBINFHSA-N 306.753 2.509 0 50 DFAA CC(C)[C@H](N[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1nc(-c2nnc[nH]2)no1 221864861 UWNYRHKNDVSMPA-XQHKEYJVSA-N 318.425 2.966 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)NO[C@@H]1CCCCO1)[C@@H](C)C2 165086599 UEXXXRCMJCUKRE-APHBMKBZSA-N 304.390 2.986 0 50 DFAA Cc1nnc(C(=O)NC[C@H](O)c2cc3ccccc3s2)s1 185478435 GSSZIYAOBQKKKX-JTQLQIEISA-N 319.411 2.525 0 50 DFAA CO[C@@]1(C)CCCN(c2cc(Cl)c3c(C)nn(C)c3n2)C1 893594371 QZMLDJPTBMTUPE-HNNXBMFYSA-N 308.813 2.935 0 50 DFAA Cn1nccc1CN(Cc1ccsc1)[C@H]1CC12CCNCC2 275698251 NGZUNUPDWHDWGT-INIZCTEOSA-N 316.474 2.626 0 50 DFAA COC[C@@H](NCc1c(Cl)cccc1OC)C1CCOCC1 188463094 LPMCQIWGOJGEGK-OAHLLOKOSA-N 313.825 2.880 0 50 DFAA CC(C)(C)OC(=O)N1CCC(C[C@@H]2OCC[C@@H]2C(=O)O)CC1 708210700 JRIYKDUAADDSFJ-STQMWFEESA-N 313.394 2.513 0 50 DFAA Cc1cccc([C@H]2CCCN2C(=O)COCc2nccn2C)c1 666931495 WTYNOVUKZICMMZ-MRXNPFEDSA-N 313.401 2.609 0 50 DFAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCCc1c[nH]c2ccccc12 667762958 LYOPKBJIGJLXEJ-MAUKXSAKSA-N 324.428 2.811 0 50 DFAA Cn1ccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)n1 673941862 DGMXDAHNFTTWRK-UHFFFAOYSA-N 321.380 2.615 0 50 DFAA Cc1cc2c(cc1C)[C@@H](NCc1nnnn1C1CC1)CCCO2 678592221 BDRRTJXYEVFJAT-HNNXBMFYSA-N 313.405 2.628 0 50 DFAA O=C(COC[C@H]1CCCO1)Nc1cscc1Br 606445969 RHIAZIRFKXGUKM-MRVPVSSYSA-N 320.208 2.645 0 50 DFAA COc1ccc(C(=O)O)cc1CN1CCC[C@]2(CCC[C@H]2O)C1 1704298021 BUBZPCILALGRIR-SJLPKXTDSA-N 319.401 2.520 0 50 DFAA CCN1CCC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 11699377 PLUFRFGVJLFCJK-HNNXBMFYSA-N 314.433 2.900 0 50 DFAA COc1cccc2c1OC[C@@H](NCCc1ccccc1F)C2 11816733 DJTLNEQAMWYOJQ-HNNXBMFYSA-N 301.361 2.970 0 50 DFAA COc1ccc(C[C@H]2CN(C(=O)c3ccsc3)CCO2)cc1 12432771 QVOSRFODIIZILZ-INIZCTEOSA-N 317.410 2.840 0 50 DFAA Cc1c(C)n(Cc2ccco2)c2ncnc(N3CCOCC3)c12 13494742 VCSWOROEGLXHNJ-UHFFFAOYSA-N 312.373 2.526 0 50 DFAA N[C@H]1C[C@@H](C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)[C@@H]2C[C@H]12 1857532979 UZHXBXLQZIWGQN-BARDWOONSA-N 324.346 2.573 0 50 DFAA Cn1c(=O)c(-c2nccn2C[C@H]2CCCO2)cc2ccccc21 1857690865 PMSRRTZOCLLVCB-CQSZACIVSA-N 309.369 2.581 0 50 DFAA CN(C)C[C@H]1[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CC[C@H]1O3 1857734315 IJFBLXOIVACVOW-MJSCVDMRSA-N 322.399 2.506 0 50 DFAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)O)s2)C1(C)C 236980480 NZCJGEGRABRABO-RYUDHWBXSA-N 311.403 2.722 0 50 DFAA COc1cccc(C(=O)NC2(C(=O)O)CCC(C)CC2)c1F 237358418 WKTVHGZLUXMAFV-UHFFFAOYSA-N 309.337 2.598 0 50 DFAA CC[C@H](c1nc(-c2cc(OC)c(OC)c(OC)c2)no1)N(C)C 453048712 OWZDGUNUJWLEBR-LLVKDONJSA-N 321.377 2.775 0 50 DFAA CCc1noc([C@H](C)N(C)CCOc2ccc(OC)cc2)n1 152622312 AKSSYBGKRPARCU-LBPRGKRZSA-N 305.378 2.712 0 50 DFAA COc1nc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc2ccccc12 155635408 MJKOYULJCDYIMR-XJKSGUPXSA-N 314.385 2.524 0 50 DFAA CCOc1ccc2cc(C(=O)N3CCC[C@](F)(CO)C3)[nH]c2c1 376498661 YROQFGNPPLXVRN-QGZVFWFLSA-N 320.364 2.503 0 50 DFAA O=C(O)[C@H]1CCN(c2nc(C(F)(F)F)nc3ccccc23)C1 819292618 YLAHDIRYQTZHHH-QMMMGPOBSA-N 311.263 2.560 0 50 DFAA Cc1onc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)O)C2(C)C)c1C 952847848 LYHCUYOTJBGEGY-DVVUODLYSA-N 309.366 2.548 0 50 DFAA CC[C@H]1COC[C@H]1N=c1[nH]c(-c2cccnc2)nc2ccccc12 1875267504 PNRXLGBQTWQJHK-SUMWQHHRSA-N 320.396 2.951 0 50 DFAA NS(=O)(=O)c1cncc(-c2ccc(C3CC3)cc2Cl)c1 1875349644 HGJYGBRVKZIDGW-UHFFFAOYSA-N 308.790 2.927 0 50 DFAA Cc1cc(=N[C@@H]2CCC[C@H](O)C2)[nH]c(N(C)c2ccccc2)n1 1875358723 HMCWSPQCKCLVAC-ZBFHGGJFSA-N 312.417 2.690 0 50 DFAA CC(C)OC(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1073369743 XHTRGSLXWRHSTG-ZBFHGGJFSA-N 316.401 2.768 0 50 DFAA C[C@H](CC(=O)Nc1n[nH]c2c1COCC2)Cc1cccc(F)c1 2325762175 LLCGLQKYVBYANB-NSHDSACASA-N 317.364 2.829 0 50 DFAA COc1ccc(-c2n[nH]c(=NCCCCc3ccncc3)o2)cc1 2325802662 SADJTFRXJDKXPD-UHFFFAOYSA-N 324.384 2.997 0 50 DFAA CC[C@](C)(C(=O)Nc1ccc(C(F)(F)F)cc1)c1nn[nH]n1 2325807105 AFKSTXNUMHHIRO-LBPRGKRZSA-N 313.283 2.525 0 50 DFAA CCc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 44680 KJJJWSXYMYFZOT-GFCCVEGCSA-N 322.364 2.872 0 50 DFAA Cc1ccccc1OC[C@H](O)Cn1c(C)[n+](C)c2ccccc21 98568 SWFSFSHTXXYROQ-MRXNPFEDSA-N 311.405 2.523 0 50 DFAA CC(C)CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)O)cc1 331977 HTFZGKHPEKFNAR-HNNXBMFYSA-N 305.374 2.801 0 50 DFAA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C 379852 RWQFKDZLJKYGAL-UHFFFAOYSA-N 319.382 2.875 0 50 DFAA CCOc1ccccc1N1C(=O)c2ccc(C(=O)O)cc2C1=O 434378 RYZLFUHXAXEDGX-UHFFFAOYSA-N 311.293 2.584 0 50 DFAA CC(=O)Nc1cccc(NC(=O)CSc2ccccn2)c1 453760 CZIJTNGKYYHNDQ-UHFFFAOYSA-N 301.371 2.771 0 50 DFAA CCOC(=O)[C@H]1CCCN(Cc2coc3ccccc3c2=O)C1 4990142 LVHBHBPUCYMFDY-ZDUSSCGKSA-N 315.369 2.568 0 50 DFAA Cc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 6703998 WLGFTCVHCMFQGA-UHFFFAOYSA-N 315.350 2.902 0 50 DFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cn(C)nc1-c1ccccc1)C2 101735629 GGIWQBCHWVUNST-MNZLEMJZSA-N 311.429 2.944 0 50 DFAA CC(=O)c1ccc(N2CCN(CCc3ccccn3)CC2)cc1 57848357 BDYISENFTIPKGK-UHFFFAOYSA-N 309.413 2.649 0 50 DFAA CC(C)CCNC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341456 BMADFYLMVPLLJE-UHFFFAOYSA-N 320.408 2.840 0 50 DFAA C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccncn1 20866237 HYKTVKHSSGNEIZ-AWEZNQCLSA-N 310.401 2.958 0 50 DFAA Cc1ccc(F)cc1NC(=O)CNC(=O)c1ccccc1C 20276143 VITBXWGBFOUIFD-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA Cn1ccnc1CN(Cc1nc2c(s1)CCCC2)C1CC1 65433310 XSLUIHLQSKJJTP-UHFFFAOYSA-N 302.447 2.920 0 50 DFAA CN(Cc1cn(C)nc1-c1cccc(Cl)c1)[C@H]1CCOC1 12574324 HIXAVCTZEQQQPC-HNNXBMFYSA-N 305.809 2.961 0 50 DFAA Cc1cc(C)n2ncc(CN(C)[C@@H](C)Cc3ccccn3)c2n1 65370425 CFOGROFFNXFJLT-AWEZNQCLSA-N 309.417 2.804 0 50 DFAA Cc1cc(I)c(N)cc1Br 306645933 GAHBWANSFWMHRT-UHFFFAOYSA-N 311.948 2.944 0 50 DFAA CN1CCC[C@@H]1CCNCc1c[nH]nc1-c1ccc(F)cc1 67562051 MQDONIGXKAGVCF-MRXNPFEDSA-N 302.397 2.790 0 50 DFAA O[C@H](CNCc1ccc(OC(F)(F)F)cc1)C(F)(F)F 4060907 NYCAASSIWVAVEJ-SECBINFHSA-N 303.202 2.598 0 50 DFAA C[C@H](O)CN1C(=O)CS[C@@H]1c1cccc(C(F)(F)F)c1 4110156 QRRWNECGAUWZFU-QPUJVOFHSA-N 305.321 2.660 0 50 DFAA C[C@H]1CCS(=O)(=O)CCN1CCSC1CCCCC1 253398315 ILQWOKUZCLXCKJ-ZDUSSCGKSA-N 305.509 2.561 0 50 DFAA CC(C)(C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(O)cc1 253404647 CXGBYZYMMCGLSP-ARFHVFGLSA-N 303.402 2.744 0 50 DFAA C[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCC2)c1ccsc1 606202093 VATJKQMRUKPCNI-JTQLQIEISA-N 300.383 2.776 0 50 DFAA Cn1cc(CC(=O)NCc2cnn3ccccc23)c2ccccc21 72139125 HSPHDVFOJQZKSX-UHFFFAOYSA-N 318.380 2.685 0 50 DFAA O=C(COCC(F)(F)F)N1CCc2c(Cl)cccc2C1 153358317 GHUIEIPLRLLMOZ-UHFFFAOYSA-N 307.699 2.804 0 50 DFAA COc1cc(F)c(-c2nccn2Cc2cnn(C)c2)c(F)c1 71758777 GYPGBVHWBWKXAL-UHFFFAOYSA-N 304.300 2.619 0 50 DFAA Cn1c(SC[C@H]2CCCC[C@@H]2O)nc2ccsc2c1=O 332647353 SULKSVUTCNUSJF-KOLCDFICSA-N 310.444 2.638 0 50 DFAA CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)[C@H]1CCO[C@H]1C 241287520 LMDQXASSEABJNJ-BLVATGICSA-N 323.458 2.522 0 50 DFAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(C2CCC2)o1 241383232 MTNVUXRDAXMXHR-MCIONIFRSA-N 319.405 2.643 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCCC[C@H]1CN 237114474 CKFTXNQOUUHVLT-GRNBYLDVSA-N 302.418 2.524 0 50 DFAA C[C@@H](NC(=O)/C=C/c1cccc(O)c1)c1ccc2c(c1)CC(=O)N2 128647560 XWQJTNFRWYGDAD-FZKGZDJFSA-N 322.364 2.777 0 50 DFAA CCC1=C(C(=O)N2CC[C@@H](O)c3ccccc3C2)CCCO1 372779146 DJYNRTXETIKGNH-MRXNPFEDSA-N 301.386 2.927 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)OCc2ccn(C)n2)o1 378556358 WDHPOTKISGLSEC-CABNGKKXSA-N 300.358 2.983 0 50 DFAA CC(C)N(Cc1cccs1)C(=O)c1cc(C(=O)O)ccn1 263387835 FINWGZMHZLDBIJ-UHFFFAOYSA-N 304.371 2.892 0 50 DFAA CCCc1cn(C2CCN(C3CCN(CCC)CC3)CC2)nn1 48175551 FJSDYJBCJZFQJV-UHFFFAOYSA-N 319.497 2.742 0 50 DFAA Cc1cnccc1CNC(=O)CCC(=O)N(C)C1CCCCC1 223372815 NQFBBXDQLXZCEN-UHFFFAOYSA-N 317.433 2.578 0 50 DFAA C[C@H](C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 175309044 UAQVALPXZIULOQ-RDJZCZTQSA-N 300.446 2.713 0 50 DFAA CCN(C[C@@H]1CCCCO1)C(=O)NCCc1ccc(OC)cc1 426382659 JOGQMRHGLFYPQT-KRWDZBQOSA-N 320.433 2.838 0 50 DFAA Cc1ccc2[nH]cc(CCC(=O)N(C)C[C@@H]3CCOC3)c2c1 177287394 KELKEODUZZOFJI-AWEZNQCLSA-N 300.402 2.904 0 50 DFAA COCC1(CNC(=O)[C@@H](c2cccc(F)c2)N(C)C)CCCC1 95376756 VSKJPPGRIZXCCC-MRXNPFEDSA-N 322.424 2.751 0 50 DFAA C[C@@H](CO)CCNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1 426431770 IUARVUKQJMTTPH-GFCCVEGCSA-N 317.360 2.947 0 50 DFAA CCOc1ccc(C)cc1S(=O)(=O)Nc1ccccc1O 230515134 XBGMDVKALMXZQT-UHFFFAOYSA-N 307.371 2.900 0 50 DFAA CCOC(=O)CC1=CCN(C(=O)OC(C)(C)C)CC1(F)F 96028465 SGLSPPJEJLVFGO-UHFFFAOYSA-N 305.321 2.752 0 50 DFAA CC(C)c1nnsc1CN1CCC[C@H](c2cc(O)ncn2)C1 244816960 SRSXKLJSHCTIOH-NSHDSACASA-N 319.434 2.537 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2nnc(-c3ccccc3)o2)C1 244678409 ICDJGYDZYHBJGK-AWEZNQCLSA-N 312.417 2.795 0 50 DFAA CCNc1nc(C(=O)N2CCC3(CCC(O)CC3)CC2)cs1 295595909 PMTWLDIESGVQCG-UHFFFAOYSA-N 323.462 2.732 0 50 DFAA COc1ccc(CCCCC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 299745701 RXEIIGLZCMYAQD-GOSISDBHSA-N 319.401 2.731 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@@H](C)Cn2cccn2)s1 534642924 ZAWPENKAENOFFB-NSHDSACASA-N 306.435 2.553 0 50 DFAA CN(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC23CCCC3)cc1 353873456 CNCSRWPXXDYBKE-OAHLLOKOSA-N 315.417 2.706 0 50 DFAA O=C(NCc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCOC1 534577238 APGXDPVJBIVESZ-LLVKDONJSA-N 306.362 2.602 0 50 DFAA O=C1C[C@H](C(=O)NCCc2ccccc2Cl)C2(CCCC2)O1 828244518 JAAWQMDIBGLLSR-CYBMUJFWSA-N 321.804 2.875 0 50 DFAA COCCCCN1CCN(C(=O)c2ccc(SC)cc2)CC1 584901583 MWIPNRXWEHSXKF-UHFFFAOYSA-N 322.474 2.593 0 50 DFAA COc1ccccc1-c1cccc(C(=O)N[C@H]2CC[C@H](N)C2)c1 1565512848 JNPINKXNLVWZII-HOTGVXAUSA-N 310.397 2.972 0 50 DFAA C[C@@H](CCN1CCN(C)CC1)Nc1cccc(C(F)(F)F)n1 302262014 PWQSYMAOLVFIQT-LBPRGKRZSA-N 316.371 2.538 0 50 DFAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cncnc1 278760178 XIBFBVYXRATZDV-UHFFFAOYSA-N 322.290 2.607 0 50 DFAA O=c1[nH]nc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)s1 170607391 YTADVQBUWBMVGC-INIZCTEOSA-N 323.421 2.979 0 50 DFAA Cc1nn(C)c2ncc(CNC[C@H]3CCO[C@@H]3C(C)(C)C)cc12 189237378 HLPQRRSSYLIXMV-ZBFHGGJFSA-N 316.449 2.818 0 50 DFAA Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c(F)c1 189795241 FGDBNGJCQUMQNM-UHFFFAOYSA-N 324.359 2.892 0 50 DFAA CCc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)c(O)c1 191726334 BIJBUEULNFBJHV-UHFFFAOYSA-N 313.401 2.704 0 50 DFAA O=C(OC[C@H]1CC1(Cl)Cl)c1nnc(O)c2ccccc12 747841713 GPVMNDWSKKQQSV-SSDOTTSWSA-N 313.140 2.686 0 50 DFAA Cc1[nH]c2ccccc2c1NC(=O)[C@H](C)OC[C@@H]1CCCO1 585127249 UPNCGUALCAEWPI-STQMWFEESA-N 302.374 2.999 0 50 DFAA C[C@@H](CC(N)=O)Nc1nnc(-c2ccccc2)cc1C(F)(F)F 1614998085 XMGFJTYRVFHTOX-VIFPVBQESA-N 324.306 2.838 0 50 DFAA O=C(O)[C@H]1CN(Cc2cc3ccccc3o2)CC12CCOCC2 1800411975 RQBYOZLJDPITPK-OAHLLOKOSA-N 315.369 2.746 0 50 DFAA Cc1ccccc1SC1CCN(c2nnc(CN)o2)CC1 1772710899 PUBROCGAMQONFP-UHFFFAOYSA-N 304.419 2.598 0 50 DFAA CC(C)N1C[C@H](CN(C)CCOc2ccccc2)CCC1=O 1775983810 CJRUCGJLXVZDCV-INIZCTEOSA-N 304.434 2.644 0 50 DFAA CCCN1CCN(Cc2c[nH]nc2-c2ccccc2)CCC1=O 11789253 ICZMFSLIYXHQJG-UHFFFAOYSA-N 312.417 2.521 0 50 DFAA CCCN1CCN(C(=O)COc2ccc(Cl)c(C)c2)CC1 13331335 RVTNNEGIBASLNU-UHFFFAOYSA-N 310.825 2.581 0 50 DFAA COC(=O)[C@H]1CCCCN1Cc1nc(-c2ccco2)oc1C 14950700 AEAMBQNYQSMPOW-CYBMUJFWSA-N 304.346 2.771 0 50 DFAA COc1ccc(C(=O)N(C)CCC2CCOCC2)c(OC)c1 154783868 ADMCWRUVHCFHDT-UHFFFAOYSA-N 307.390 2.593 0 50 DFAA COc1ncccc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 225615550 ZYLUHQIXARLRFZ-CZUORRHYSA-N 320.339 2.676 0 50 DFAA O=C(Nc1ccncc1F)N1CCN(Cc2ccccc2)CC1 124882470 PJUIKVNQYUZLSJ-UHFFFAOYSA-N 314.364 2.570 0 50 DFAA CCc1nc(NC(=O)c2cccc(OC)c2)sc1C(=O)OC 127283738 BITXFVKVHYLZNG-UHFFFAOYSA-N 320.370 2.753 0 50 DFAA Cc1nnc(C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)s1 131593829 PMQFSOJCNCMIDH-QMMMGPOBSA-N 307.423 2.597 0 50 DFAA C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)c1cccc(S(C)(=O)=O)c1 247549113 VFQMFUWBNZEUMC-JYAVWHMHSA-N 309.431 2.645 0 50 DFAA COC(=O)[C@H](c1cccc(O)c1)N(C)Cc1ccc(OC)cc1 585116918 MIJJXQNDSXNQOV-KRWDZBQOSA-N 315.369 2.747 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)c(F)c1 263517843 FOWJEVSQYRSLRN-ZDUSSCGKSA-N 321.348 2.555 0 50 DFAA O=C(Nc1ccc(C2CC2)cn1)N1CC[C@@]2(CCCNC2)C1 904549660 VQZCGFYINMWIDS-QGZVFWFLSA-N 300.406 2.566 0 50 DFAA C[C@@H](C(=O)NCCO[C@@H]1CCCC[C@H]1C)n1cc(Cl)cn1 1875253727 RFAWLODTKJXBPU-MBNYWOFBSA-N 313.829 2.809 0 50 DFAA O=C(c1ccc(OC[C@H]2C[N@@]2C2CCC2)cc1)N1CCCC1 1875380562 SBUPYLBBCVDWEP-UZLBHIALSA-N 300.402 2.538 0 50 DFAA Cc1cc2cc(-c3csc(O[C@@H]4CCOC4)n3)ccn2n1 1875404559 MQQMGEWIWXZUNK-CYBMUJFWSA-N 301.371 2.934 0 50 DFAA O=C(NCC1(C2(O)CCC2)CC1)[C@H]1CCCc2c(O)cccc21 887533572 ZEVKNIOJOKKFRL-HNNXBMFYSA-N 315.413 2.624 0 50 DFAA CN(Cc1cnc2ccccc2n1)C1CSCCSC1 91305730 MERXGAVOOWRGAN-UHFFFAOYSA-N 305.472 2.910 0 50 DFAA CCn1cc(NC(=O)N[C@@H](C)c2ccccc2-n2ccnc2)cn1 2325700768 PFTLOHVGTRMJHM-ZDUSSCGKSA-N 324.388 2.971 0 50 DFAA Cc1ncsc1C(=O)NCCCC(=O)O[C@H]1CCC12CCC2 2325754470 QFDAUCZXDUDBJU-LBPRGKRZSA-N 322.430 2.837 0 50 DFAA COc1ccc2sc(CN3CCn4c(cnc4C)C3)nc2c1 2325779583 QDQBAFQMFBKWJE-UHFFFAOYSA-N 314.414 2.826 0 50 DFAA Cc1nccn1CCc1noc(-c2ccc(C(C)(F)F)cn2)n1 2325812539 PJHXHTLAJPGRKV-UHFFFAOYSA-N 319.315 2.991 0 50 DFAA CCC[C@@H](CO)N=c1[nH]c2ccc(Cl)cc2n2cncc12 2325821459 QFIMDYVKTVKFDO-NSHDSACASA-N 304.781 2.531 0 50 DFAA CC(C)N1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2 103575723 VORSMCHHJRVORT-VSZNYVQBSA-N 317.429 2.710 0 50 DFAA in-vitro O=C(c1ccccc1I)N1CCCC1 288524 AMQYMYSSSVQOPE-UHFFFAOYSA-N 301.127 2.527 0 50 DFAA CC(=O)Nc1ccc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)cc1 2356134754 APUJDWSVDUYAFT-WOJBJXKFSA-N 324.424 2.995 0 50 DFAA CCOC(=O)C(CCCOc1ccccc1C)C(=O)OCC 2880407 KXSBGKBFVLEHMU-UHFFFAOYSA-N 308.374 2.896 0 50 DFAA Cc1nn(-c2ccccc2)c(CC(C)(C)C(=O)O)c1C(=O)O 4258612 HARHTDAQMLSUHM-UHFFFAOYSA-N 302.330 2.532 0 50 DFAA Cc1ccccc1N1CCN(CCCN2C[C@@H]3CC[C@@H]2C3)CC1 102442260 AMQKYUMCXQULBU-RTBURBONSA-N 313.489 2.991 0 50 DFAA O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1ccccc1 54993804 OMBYBAHLTBNLBD-MRXNPFEDSA-N 300.402 2.753 0 50 DFAA CCCOc1cccc2c(N3CCCO[C@@H](CN)C3)ccnc12 420275360 FWHDKOHGPOSTAE-AWEZNQCLSA-N 315.417 2.578 0 50 DFAA CCN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1 113727996 DXGMLYMAPAJISM-UHFFFAOYSA-N 316.323 2.541 0 50 DFAA O=C(Nc1cccnc1)c1ccc(-n2ncc3cccnc32)o1 65464724 BIYBDNXMOJUOFS-UHFFFAOYSA-N 305.297 2.661 0 50 DFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC2(CCN2)CC1 424050399 CUUBQKJPXDAXHM-UHFFFAOYSA-N 312.335 2.602 0 50 DFAA CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CSCN2)cc1 120085291 ITDFGKBGTXBCIH-WFASDCNBSA-N 308.447 2.561 0 50 DFAA CC(C)CO[C@H](C)c1noc(CN2CCO[C@@H]3CCCC[C@H]32)n1 230095515 WGFSFRQTMWGHCL-RBSFLKMASA-N 323.437 2.947 0 50 DFAA COC[C@H](O)CN[C@@H](C)CC(C)(C)c1c[nH]c2ccccc12 252485328 GRHZXVNRQAUTOT-UONOGXRCSA-N 304.434 2.821 0 50 DFAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)C2CCOCC2)c1 215319705 FEGGFBAWICIVOC-SFHVURJKSA-N 317.429 2.929 0 50 DFAA O=C(O)CCC1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 324216258 AXTIGBGQHPKPSV-KRWDZBQOSA-N 315.413 2.895 0 50 DFAA CC(=O)N(C[C@H]1CCCN1C[C@@H](O)c1ccc(C)cc1)C1CC1 328623632 CABNXGGOCJTOCW-RTBURBONSA-N 316.445 2.504 0 50 DFAA Cc1cc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)no1 328624245 CIDOQZXOVOGQBG-RDJZCZTQSA-N 300.406 2.503 0 50 DFAA CSc1nc(C(=O)N2CCC(c3ccncn3)CC2)cs1 215536121 VNMWIHOFSRDZRA-UHFFFAOYSA-N 320.443 2.675 0 50 DFAA O=C(CCC1CCOCC1)N1CCN=C(O)[C@@H]1c1cccs1 329788291 ZLEBJYXPBOFZAN-HNNXBMFYSA-N 322.430 2.795 0 50 DFAA Cn1cc(C[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)cn1 362877168 DGDKSCJWWUYULC-ZDUSSCGKSA-N 308.385 2.606 0 50 DFAA CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@H]2CCSC2)no1 365556297 JJXUHBNIFFXLIN-VXGBXAGGSA-N 324.450 2.793 0 50 DFAA O=C(/C=C/c1cccc(O)c1)NCCC[C@@H]1CCCC[C@@H]1O 156451404 GNGDFISDQVNCBF-RAUBDSNISA-N 303.402 2.853 0 50 DFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1CCOC1 72473412 HRMASFHGMGIZEI-CYBMUJFWSA-N 302.399 2.805 0 50 DFAA CCCc1cc(C(=O)N(CC)CCN2CCCCCC2)n(C)n1 77438067 NLBHJHWRIORXKS-UHFFFAOYSA-N 320.481 2.711 0 50 DFAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC1C[C@@H](C)O[C@H](C)C1 239637006 BIEYVDWEWKUBOW-YNEHKIRRSA-N 321.465 2.535 0 50 DFAA C[C@@H](CCN1CCC(n2cc(CCO)nn2)CC1)CC(C)(C)C 48063505 KJUYQLBGBXSMDL-HNNXBMFYSA-N 322.497 2.912 0 50 DFAA Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)O)c1 41532446 VFIGLXALIJUAMY-UHFFFAOYSA-N 305.355 2.518 0 50 DFAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1cc2c(F)cccc2[nH]1 263287047 YDJZDDMOZUTLAT-UWVGGRQHSA-N 304.321 2.632 0 50 DFAA CC(C)(C)c1cc(CNC(=O)CCC(=O)c2ccccc2)[nH]n1 220648603 WVFIBFCWOYSRQO-UHFFFAOYSA-N 313.401 2.987 0 50 DFAA O=C(CCC(=O)c1ccc(F)cc1)NCCc1cscn1 40656700 SCIZNBSIESADIF-UHFFFAOYSA-N 306.362 2.604 0 50 DFAA Oc1cccc(-c2ccc3c(c2)OC[C@@H](N2CCCC2)[C@@H]3O)c1 426575127 PATRJYRGJPSRMO-IEBWSBKVSA-N 311.381 2.949 0 50 DFAA COCCn1cc(C(=O)Nc2cc(C)ccc2F)c(=O)cc1C 287060867 KRTPYLJUYFGDAV-UHFFFAOYSA-N 318.348 2.503 0 50 DFAA CC(C)C1=NO[C@H](C(=O)NCc2coc(-c3ccccc3)n2)C1 222963543 YSBMTTUSEDWJCL-HNNXBMFYSA-N 313.357 2.759 0 50 DFAA Cc1cc(N2CCN(C(=O)N[C@H](C)C(C)C)CC2)cc(C)n1 426619966 DLKVTAGDTKNMLP-OAHLLOKOSA-N 304.438 2.575 0 50 DFAA Cc1csc(CNS(=O)(=O)c2cc(C)sc2C)n1 48665651 ILWOLVSSOUROIP-UHFFFAOYSA-N 302.446 2.608 0 50 DFAA CCN(CCN1CCCCCC1)c1cc([C@H]2CCOC2)ncn1 426746117 PMGXRSPLROYLAI-INIZCTEOSA-N 318.465 2.683 0 50 DFAA C[C@H](O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 41149936 GQINXQVKBAHZIN-LBPRGKRZSA-N 324.384 2.831 0 50 DFAA biogenic Cc1n[nH]c(C)c1-c1ccc(C(=O)N(C)C2CCOCC2)cc1 426652786 AEDWKORVGUICLN-UHFFFAOYSA-N 313.401 2.945 0 50 DFAA COc1ccc(Cn2cc(-c3[nH]nc4ncccc34)cn2)cc1 426656906 HIUTVGSVDXFHSM-UHFFFAOYSA-N 305.341 2.878 0 50 DFAA CN(C)CC[C@H](NC(=O)c1ccn(C(F)F)n1)c1ccccc1 426412820 VOTSAANFMSLNGP-ZDUSSCGKSA-N 322.359 2.701 0 50 DFAA CCCc1nnc(N2CCC[C@H](OCc3cccnc3)C2)o1 95364634 FZVDJZURVCJNGX-AWEZNQCLSA-N 302.378 2.603 0 50 DFAA CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F 91944002 ZQRPBBNGDZBVTC-INIZCTEOSA-N 320.408 2.600 0 50 DFAA CC(C)OCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95359544 AJVJVXSGOGUTAH-OAHLLOKOSA-N 305.374 2.516 0 50 DFAA COC(=O)[C@@H](Cc1ccc(F)c(F)c1)NC(=O)OC(C)(C)C 97756873 BTZZCDKMYKDYQM-GFCCVEGCSA-N 315.316 2.574 0 50 DFAA CN(C)[C@H]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CCCO 91452027 OEYKLZDZDJBFMF-GVKBTVHKSA-N 320.452 2.864 0 50 DFAA Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H]1CCCNC1 237702554 LAXIRQODSPBIKZ-OAHLLOKOSA-N 309.413 2.786 0 50 DFAA COc1cccc([C@@H]2CN(CCCSC)C[C@H]2C(=O)O)c1 91526529 IVEDWUSKUPVWOY-LSDHHAIUSA-N 309.431 2.548 0 50 DFAA CC[C@H](NC(=O)c1ccc(Cn2cccc2)cc1)[C@H]1C[C@H](O)C1 244724558 MWHIQTLFISDYSD-BZSNNMDCSA-N 312.413 2.816 0 50 DFAA CN[C@@H](CC(C)C)C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 244575008 CVDCEGAGULKXQO-AWEZNQCLSA-N 322.840 2.809 0 50 DFAA Cc1ccc(-c2ccnc(N3CCN4CCCC[C@H]4C3)n2)c(C)n1 244884294 YJGXEFVVYMPCKV-INIZCTEOSA-N 323.444 2.830 0 50 DFAA Cc1ccc2ncnc(N3CC(O)(c4ccc(F)cc4)C3)c2c1 184287524 MHRRFRKBBNKXCK-UHFFFAOYSA-N 309.344 2.785 0 50 DFAA CC(C)Oc1cccc(OCCN2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1 252510265 ZFUKTESDVOTLJK-HWWDLCQESA-N 305.418 2.555 0 50 DFAA CC[C@H](NC(=O)c1c(C)nc2ccc(Cl)cn12)[C@H]1C[C@H](O)C1 252549934 RXCUKRSKIYJLJM-DRZSPHRISA-N 321.808 2.575 0 50 DFAA O=C(Cc1cc(F)ccc1F)N1CCCC2(CCOCC2)C1 266327229 UQYKMALEPJNKOE-UHFFFAOYSA-N 309.356 2.927 0 50 DFAA CN(CCOc1cccc(Cl)c1)C(=O)CCc1cn[nH]c1 629944137 KCIAECMWRQAJTN-UHFFFAOYSA-N 307.781 2.533 0 50 DFAA CN(CCCOc1cccc(Cl)c1)c1nc(C(=O)O)co1 567739465 QTYTVLGMXRJAJE-UHFFFAOYSA-N 310.737 2.932 0 50 DFAA O=c1c2cccnc2ncn1CCCc1nc2ccccc2o1 584890085 SYSKNEVQNUNSES-UHFFFAOYSA-N 306.325 2.566 0 50 DFAA Cc1ocnc1C(=O)NCCN1CCC[C@H](c2ccccc2)C1 670458286 LCJBZPBZFXFVSO-INIZCTEOSA-N 313.401 2.592 0 50 DFAA C=CC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1338394497 LPFYKEAQIUMUSX-ZDUSSCGKSA-N 322.327 2.621 0 50 DFAA Cc1cc(C)n(CC(=O)Nc2ccc3nc(S)oc3c2)n1 163640386 MRTOIQQUSJMVOZ-UHFFFAOYSA-N 302.359 2.569 0 50 DFAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1ccccc1N(C)C)C2 67956450 IMKWUGJRRFEXJM-UHFFFAOYSA-N 324.428 2.897 0 50 DFAA COc1cccc([C@H]2CCN(Cc3cccc(C)n3)C[C@@H]2O)c1 1565511181 NTHZVCBSZJFJRG-MOPGFXCFSA-N 312.413 2.749 0 50 DFAA CCOCCN(C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 408524833 ZTPRAIQBZHZISR-KGLIPLIRSA-N 300.443 2.648 0 50 DFAA CC[C@@H](C)c1cccc(NC(=O)Cn2cc(C(=O)O)cn2)c1 630230737 NTBYYYBNUUROPG-LLVKDONJSA-N 301.346 2.734 0 50 DFAA COc1nnc(NC(=O)N2CC[C@@H](c3ccccc3)C2)s1 276579677 UCHHQQGKRSAHPV-LLVKDONJSA-N 304.375 2.568 0 50 DFAA O=C(Cc1ccccc1O)NC[C@@H]1CCO[C@@H]1c1ccccc1 170004937 CBAVARHDDCKFCS-QFBILLFUSA-N 311.381 2.829 0 50 DFAA COc1cccc(C2CCN(c3ccncc3C(N)=O)CC2)c1 302214343 IJVMONVHOKSUDK-UHFFFAOYSA-N 311.385 2.573 0 50 DFAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCC(Cc2ccccc2)CC1 191759516 CUBTVLLODQEQHX-FGTMMUONSA-N 314.429 2.971 0 50 DFAA C[C@H](CN1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1 648367979 BNYJDRIXIKCZCV-FSPWUOQZSA-N 324.415 2.599 0 50 DFAA CSC[C@@H]1CCCN(c2ccc(OCC(F)(F)F)nn2)C1 596241062 BBVZXFHEPZZJIT-SNVBAGLBSA-N 321.368 2.997 0 50 DFAA CCNCc1cccc(NC(=O)[C@]2(C(=O)O)CC=CCC2)c1 656852681 CVFVHCKKOSUQRO-KRWDZBQOSA-N 302.374 2.546 0 50 DFAA Cc1nocc1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 585126990 MVMCPZGEALXRKA-VXGBXAGGSA-N 323.393 2.957 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@H](CCCO)C3)co2)cs1 1615002571 ILQHXFZQXOAOFV-LBPRGKRZSA-N 320.414 2.946 0 50 DFAA C[C@@H](NCC(C)(C)c1cccc(F)c1)C1(S(C)(=O)=O)CC1 1615587234 CNUMBSKMGZVVDK-GFCCVEGCSA-N 313.438 2.659 0 50 DFAA CON(C(=O)/C=C/c1nc2ccccc2s1)[C@@H](C)CC(=O)O 1615587558 HHIXCKVBKSWKOB-JARNTUPDSA-N 320.370 2.563 0 50 DFAA COc1ccc(C(=O)Nc2nnc([C@H](C)OC)s2)c(C)c1 1506429570 VJZIUFNUWJCEMO-VIFPVBQESA-N 307.375 2.815 0 50 DFAA Cc1ccc(-c2cnn(CC(=O)O)c2)c(-n2nc(C)cc2C)c1 1506420073 SNGAVZPPEFQBCO-UHFFFAOYSA-N 310.357 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QAMAFRTYCXVGQV-GFCCVEGCSA-N 315.398 2.752 0 50 DFAA O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(c2ccccc2)C1 4731669 WRIKJVWEYQJHDF-LLVKDONJSA-N 315.760 2.727 0 50 DFAA O=C(c1cccc(CN2CCCCC2)c1)N1CC2(CCOC2)C1 412365107 JQMYCQPRFOTIPL-UHFFFAOYSA-N 314.429 2.535 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccncc1Cl 227346409 OYAYTJMRJGILRA-XDTLVQLUSA-N 308.765 2.593 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2cc(C)ccc2N2CCCC2)C1 116748760 NPKQETQLGMQAEH-OAHLLOKOSA-N 302.418 2.846 0 50 DFAA CC[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(C)ccc1=O 67604187 QIUYHOCHIVZEBW-ZDUSSCGKSA-N 305.765 2.795 0 50 DFAA Cc1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c(O)n1 328615786 ZHATYTUBYFACHZ-GDBMZVCRSA-N 312.369 2.603 0 50 DFAA Cc1ccccc1O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 30860859 ZTVKBYRNNKGVMX-CYBMUJFWSA-N 310.353 2.748 0 50 DFAA COCc1nc2n(n1)C[C@@H](N[C@H]1CCCCC13CCCC3)CC2 328888298 PLNHNJXZKVKZCA-GJZGRUSLSA-N 318.465 2.832 0 50 DFAA CSC1CCN(C(=O)c2cc(-c3ccc(C)o3)[nH]n2)CC1 601693732 UKMYXGCZZOODSC-UHFFFAOYSA-N 305.403 2.946 0 50 DFAA CC(C)n1cc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cn1 253421120 QFEHCKSONONSPV-UHFFFAOYSA-N 313.361 2.694 0 50 DFAA CCNc1nc(C)c(C(=O)NCc2nc(C)c(C)s2)s1 217950497 DBGMOZKVNBBDCF-UHFFFAOYSA-N 310.448 2.887 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 128593108 NIIUFRAOAAKVMG-JTNHKYCSSA-N 309.312 2.534 0 50 DFAA Cc1cn2c(n1)[C@@H](CNC(=O)N(C)Cc1ccc(C)o1)CCC2 367209006 YVQLWKYDLSJXBQ-CQSZACIVSA-N 316.405 2.812 0 50 DFAA O=C(/C=C/c1ccco1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 376120989 ZNZBREWYLIDRNI-FDRAFAAVSA-N 311.381 2.917 0 50 DFAA Cc1cc(C2CCC2)nc(NC[C@@H]2CC(=O)N(C(C)C)C2)n1 71749374 PIOSZXWFVDOFBT-ZDUSSCGKSA-N 302.422 2.721 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)Cc2ccccc21 261769792 QUYYOGRXUQPAJO-IAGOWNOFSA-N 307.349 2.537 0 50 DFAA CCOc1ccc(CN2CCCC[C@@H]2CCOC)cc1CO 215293668 VYNPAPNHAMWLJZ-QGZVFWFLSA-N 307.434 2.969 0 50 DFAA COCc1nn(C)cc1C(=O)N[C@@H]1CCCCC12CCCC2 333089174 NVRNORXMSAKDJK-OAHLLOKOSA-N 305.422 2.799 0 50 DFAA COCc1ccccc1CN1C(=O)[C@@H]2CCCCCN2C1=O 372909720 HFAYWNJDROSOGY-HNNXBMFYSA-N 302.374 2.540 0 50 DFAA COCC(C)(C)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72462898 IBXIUXUZCJVKOB-UHFFFAOYSA-N 307.434 2.887 0 50 DFAA CC1(C)[C@@H](NC(=O)C2=CCOCC2)C[C@H]1Oc1ccccc1 377431549 DIFGTROSGAOHAM-JKSUJKDBSA-N 301.386 2.695 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(CN)cc2)C[C@H](c2ccsc2)O1 237634716 ACQZLHGRKSWAAV-MLGOLLRUSA-N 316.426 2.809 0 50 DFAA CSCCC(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 95510516 SCIFQIBNTPMKFG-AWEZNQCLSA-N 307.463 2.752 0 50 DFAA Cc1cnn(CCC(=O)N[C@H]2CCCOc3c(F)cccc32)c1 179898727 KOJQVPQFWCMPIM-HNNXBMFYSA-N 317.364 2.751 0 50 DFAA CC(C)(C)c1cc(CNC(=O)[C@H]2COc3ccccc3C2)[nH]n1 95529014 FOUWFSQHQISGGT-CYBMUJFWSA-N 313.401 2.575 0 50 DFAA CCC[C@]1(CO)CCCN(C(=O)CCCn2nc(C)cc2C)C1 92028413 SZZJWPBRTUFEOY-SFHVURJKSA-N 321.465 2.681 0 50 DFAA C#CC(C)(C)OC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OCC(=C)Cl 143408352 FPSHTZYXFHJOHF-IGQOVBAYSA-N 322.788 2.675 0 50 DFAA COCC1(C(=O)N(C)CCOc2cc(C)ccc2C)CCC1 97528967 HCCHVZCWKHHGPO-UHFFFAOYSA-N 305.418 2.957 0 50 DFAA CNC(=O)C[C@@H](C)N(C)C(=O)Nc1cccc2ccc(C)nc12 95528186 UQKQRRYCSUZBLK-GFCCVEGCSA-N 314.389 2.532 0 50 DFAA C[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCCO1 297499808 VEHCJFUDAOBEQY-XNRPHZJLSA-N 306.381 2.892 0 50 DFAA CCc1ccc(C(C)(C)CN[C@H]2CCCS(=O)(=O)C2)cc1 183085830 ZSONZULSCWQYKR-INIZCTEOSA-N 309.475 2.693 0 50 DFAA O=C1CCCCN1Cc1nc(C2CC2)nn1CCc1ccccc1 828263768 KQNKIVAPGIUUGS-UHFFFAOYSA-N 324.428 2.911 0 50 DFAA CC(C)C1=NO[C@@H](C(=O)N2CCOc3ccc(Cl)cc3C2)C1 584897997 GNASCPCGFLXADM-OAHLLOKOSA-N 322.792 2.862 0 50 DFAA COc1cccc2c1OCC(CN1CC(c3ccncc3)C1)=C2 824801402 TXUJKJLMVJGXEL-UHFFFAOYSA-N 308.381 2.965 0 50 DFAA O=C(NCCC[C@H]1CCOC1)C1(N2CCCC2)CCCCC1 827661339 RKQPCSVIMIXEHE-INIZCTEOSA-N 308.466 2.718 0 50 DFAA Cc1oc(-c2cccc(NC(=O)c3ccncc3)c2)nc1CN 827469524 BFDOIUVCCMSDDX-UHFFFAOYSA-N 308.341 2.756 0 50 DFAA Cc1nc(C)c(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)o1 584885826 CNDKVAUSLFRLLA-UHFFFAOYSA-N 318.377 2.818 0 50 DFAA Cc1cc(C)cc(N2C(=O)C3(CCNCC3)N3CCCC[C@@H]23)c1 585139733 QVNYJJIWSADPKQ-QGZVFWFLSA-N 313.445 2.584 0 50 DFAA CC(C)OCC1CCN(C(=O)CC[C@@H](C)N2CCCC2)CC1 670451396 VRMZZAYNVORNAD-MRXNPFEDSA-N 310.482 2.915 0 50 DFAA O=C(C[C@H]1OCc2cc(Cl)ccc21)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 629770415 SOQYFYOKMBKZSJ-QPIFLIKFSA-N 321.804 2.673 0 50 DFAA Cc1n[nH]c(C)c1Cc1n[nH]c(Cc2cccc(Cl)c2)n1 885939112 SNRTZAFYOLTBQB-UHFFFAOYSA-N 301.781 2.980 0 50 DFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)C[C@H]1CCCOC1 952979388 SQDRYBWVROZFIQ-CQSZACIVSA-N 315.417 2.771 0 50 DFAA CCc1onc(C)c1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 408473881 OYGWSSRSFDZKBW-DGCLKSJQSA-N 314.389 2.651 0 50 DFAA Cc1nc(CCN[C@@H]2CC[C@@H]3SCCS[C@H]32)cs1 222128954 KPCVFEPMVJIVQH-AGIUHOORSA-N 300.518 2.963 0 50 DFAA CCC1(O)CN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 275318080 DCGGVBPPUMGJSE-UHFFFAOYSA-N 324.306 2.519 0 50 DFAA Cc1ccc(C[C@H](C)NC(=O)c2ccnc(C(=O)O)c2)s1 168937980 MBTLWZBRMZPPBO-VIFPVBQESA-N 304.371 2.511 0 50 DFAA CCCC[C@@H]1NC(=O)N(Cc2ncoc2-c2ccccc2)C1=O 170592604 KQTCUZZNEQOUSC-ZDUSSCGKSA-N 313.357 2.952 0 50 DFAA O=C(N[C@H]1CCCOCC1)N1CCc2cc(Cl)ccc2C1 189793904 YAHPVKYKELGSHW-HNNXBMFYSA-N 308.809 2.977 0 50 DFAA c1cc(-n2nccc2CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccn1 668179843 DRSFRFYPYRHWDY-ZWKOTPCHSA-N 324.428 2.801 0 50 DFAA Cc1ccnc(CN2CCC[C@@H](Oc3ncccc3F)C2)c1 683788704 QIYZRRHYXVJCII-OAHLLOKOSA-N 301.365 2.968 0 50 DFAA CCOCCC1(CNC(=N)N2C[C@@H](CC)O[C@H](CC)C2)CC1 1614973267 JNCQOZJJLGULHJ-HUUCEWRRSA-N 311.470 2.607 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)CCOc2ccccc2)s1 1506408786 PYVQFYYVQCQCFS-JTQLQIEISA-N 307.375 2.653 0 50 DFAA COc1ccc(NC(C)(C)C(=O)N(C)C[C@@H]2CCCO2)cc1 1506404470 HVKQQCHFLFUWRT-HNNXBMFYSA-N 306.406 2.523 0 50 DFAA O=C(c1cccs1)[C@H]1CCCN(CCCn2ccnc2)C1 1506396348 CXNIAOLNAAODIT-AWEZNQCLSA-N 303.431 2.930 0 50 DFAA COc1nccnc1NC[C@H](c1cccnc1)N1CCCCC1 1506422102 ONKFKYFQQJVBQT-OAHLLOKOSA-N 313.405 2.519 0 50 DFAA Cc1nccc(NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)n1 1529155092 NYYCYAWOHKYNON-CBHXASLJSA-N 310.405 2.537 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)[C@H](C)Oc1cccc(OC)c1 1529196544 BKAPUEDXTFOJFP-LBPRGKRZSA-N 317.389 2.706 0 50 DFAA CCC[C@]1(C(=O)O)CN(CCCCc2ccccc2)CC[C@H]1O 1704300362 UGDLBGXMZKKMGT-MJGOQNOKSA-N 319.445 2.947 0 50 DFAA Cc1ccc(Cl)cc1N(C)C(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 1848442311 LGZWLFLQCTYAHK-BUNRJADRSA-N 319.788 2.809 0 50 DFAA Cc1ncc(Cl)c(NC[C@H]2CC(=O)N(c3ccccc3)C2)n1 1772707223 MAGDSYLUDXUMCG-GFCCVEGCSA-N 316.792 2.903 0 50 DFAA O=C(c1ccc2c[nH]nc2n1)N1CCCC[C@H]1c1nccs1 1775983980 FKZLKDGBTHVVOV-LBPRGKRZSA-N 313.386 2.782 0 50 DFAA CCc1c(C)nc(SCC(=O)Nc2ccc(C)cc2)[nH]c1=O 5045311 QTVBMCDAYSWCSL-UHFFFAOYSA-N 317.414 2.680 0 50 DFAA OCc1ccc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)o1 12387785 VCCHOTVWPLJFML-INIZCTEOSA-N 324.384 2.520 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(N)=O)c1 12671518 AHNDRYMQVNUGBX-JTQLQIEISA-N 318.760 2.845 0 50 DFAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O 15442624 ZEMKCIHCRJIZOO-SNVBAGLBSA-N 315.753 2.566 0 50 DFAA Cc1nccc(-c2cccc(-c3ccn(C[C@@H]4CCNC4)n3)c2)n1 19222900 ZJPRJJBFEHCWCU-OAHLLOKOSA-N 319.412 2.925 0 50 DFAA CCOc1cccc(-c2nccn2CC2(CO)CCOCC2)c1 1857698718 FTRLUYSKMSRPFZ-UHFFFAOYSA-N 316.401 2.738 0 50 DFAA O[C@@]1(Cn2ccnc2-c2cc(Cl)cc(Cl)c2)CCNC1 1857700448 HXIOQAUTVISEMW-AWEZNQCLSA-N 312.200 2.581 0 50 DFAA CC(C)[C@@H]1N(C(=O)NCCc2cnn(C)c2)CC12CCCCC2 333962285 MVPFFXWQGVAGDZ-INIZCTEOSA-N 318.465 2.963 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(N)=O 130116616 HDAZFJZHYJQZAJ-SNVBAGLBSA-N 322.714 2.599 0 50 DFAA COc1cccc(CC(C)(C)NC(=O)C2CCC(O)CC2)c1 252482314 DCVAXWAHJYPSDP-UHFFFAOYSA-N 305.418 2.684 0 50 DFAA O=C(N[C@H]1CCCC[C@@H]1CO)N[C@@H]1CCc2c(F)cccc21 267053569 GXOUIXRWCWSARK-XFBWCDHKSA-N 306.381 2.663 0 50 DFAA CON(CC(=O)Nc1ccc(F)cc1F)Cc1ccc(C)o1 952992633 IAVDXPLFANBOHB-UHFFFAOYSA-N 310.300 2.868 0 50 DFAA CNc1ccc(C(=O)NCCC(=O)N2CCCCC2)c(Cl)c1 952994262 NSNNWYIPADXFIL-UHFFFAOYSA-N 323.824 2.514 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CCC3(CCCCC3)C2)CC1 1875369586 XBDFHQILSBJBRY-UHFFFAOYSA-N 304.434 2.594 0 50 DFAA COc1ccc2cccnc2c1C(=O)N1CCCc2n[nH]cc21 1875332548 XZRJMDOORZXOTK-UHFFFAOYSA-N 308.341 2.560 0 50 DFAA O=C(Cc1cc2ccccc2o1)Nc1ccnn1[C@@H]1CCOC1 888585682 VGCXZFXTKOXULV-CYBMUJFWSA-N 311.341 2.772 0 50 DFAA CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 339909 BQOULHAIAZWPFO-UHFFFAOYSA-N 315.395 2.776 0 50 DFAA Cc1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 2942834 AZZFYUYSWIANGD-UHFFFAOYSA-N 316.788 2.946 0 50 DFAA COCCNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 4839940 SKUQBWFSTBQXKI-UHFFFAOYSA-N 312.369 2.624 0 50 DFAA Cc1ccc(-c2noc([C@@H](C)NC(=O)c3ccncc3)n2)cc1 4998279 JEADZWMIVPHTAQ-GFCCVEGCSA-N 308.341 2.931 0 50 DFAA CCOc1ccc(C(=O)NCCCn2ccnc2)c(OCC)c1 6698362 NGMBIVNBGIABKP-UHFFFAOYSA-N 317.389 2.501 0 50 DFAA CC1=C(C)C[C@@H](C(=O)NCCc2ccc(F)cc2)[C@H](C(=O)O)C1 6730753 JHSLJHDRTMYVSZ-HZPDHXFCSA-N 319.376 2.932 0 50 DFAA CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1 10544231 PIYAGMWNPWUJSI-KRWDZBQOSA-N 324.490 2.761 0 50 DFAA CC(C)n1c(S)nnc1CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 225417141 XTDZOLSXWALTJI-SDDRHHMPSA-N 308.451 2.590 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1 225679853 FOBOERAARURZSH-DOTOQJQBSA-N 315.344 2.782 0 50 DFAA COc1ccc(Nc2nc3c(C)cccn3c(=O)c2C=O)cc1 3169227 QGHKDQCJSSBBJH-UHFFFAOYSA-N 309.325 2.568 0 50 DFAA COC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 55142174 XSNNHVPHKVTRNP-UHFFFAOYSA-N 310.397 2.795 0 50 DFAA CCCCNC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)o1 67770800 HFBBZFJMIWCYQH-UHFFFAOYSA-N 321.398 2.880 0 50 DFAA CSc1ccc2cc(CN(C)Cc3cc[nH]n3)c(=O)[nH]c2c1 67459436 HQBVNLBYCGQYKE-UHFFFAOYSA-N 314.414 2.605 0 50 DFAA C[C@@H](c1cnccn1)N1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 253425301 SBOLJUMFVFYYBS-SUNYJGFJSA-N 317.433 2.981 0 50 DFAA C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 67540544 OIKSSRRCEQIUQK-IPJDOKCGSA-N 313.401 2.763 0 50 DFAA CCCn1nc2c(c1C)[C@@H](c1c(C)nn(C)c1Cl)CC(=O)N2 65375930 NQQKDOYNMSSGLW-SNVBAGLBSA-N 321.812 2.771 0 50 DFAA Cc1ncsc1C(=O)NCCN1CCCc2ccccc21 65568907 UYNWXOUBJUJFTF-UHFFFAOYSA-N 301.415 2.634 0 50 DFAA NC(=O)C1(c2nc(-c3ccccc3)nn2-c2ccc(F)cc2)CC1 63832812 HHDBFDMNOIABOE-UHFFFAOYSA-N 322.343 2.590 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3F)CC2)[nH]n1 65501793 LNXLIWBGFKPDMT-LLVKDONJSA-N 301.365 2.636 0 50 DFAA COc1ccc2nc(SCCOC[C@H]3CCCO3)[nH]c2c1 123641526 ZQRIHYFBUBBTDB-GFCCVEGCSA-N 308.403 2.859 0 50 DFAA CCc1ncc(NC(=O)c2cnn(-c3ccccc3C)c2)cn1 155565018 VAGMVLOUJGWWNN-UHFFFAOYSA-N 307.357 2.785 0 50 DFAA COc1cccc([C@@H](C)N2CCN(c3ccnc(C)n3)CC2)c1 174728712 LWEHREKAVSQRTL-CQSZACIVSA-N 312.417 2.677 0 50 DFAA C[C@H](Cc1cnn(C)c1)NCc1nc2ccc(F)cc2s1 449588130 PQLYBFAXQOSELJ-SNVBAGLBSA-N 304.394 2.890 0 50 DFAA CCCc1nc(C)cc(N2CCC[C@]3(CC2)CN(C)C(=O)O3)n1 72148781 YASJKTGJEJOPNV-KRWDZBQOSA-N 318.421 2.549 0 50 DFAA COc1ccc(F)c(CN2CCCC[C@H]2CCNC(C)=O)c1 77518139 WDFOVLYNVFPAQR-HNNXBMFYSA-N 308.397 2.715 0 50 DFAA CC1(C)CCC[C@H]1NC(=O)N1CCN(c2cccc(O)c2)CC1 174984015 QWDDHCAOWMCNLF-MRXNPFEDSA-N 317.433 2.803 0 50 DFAA C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C1CCCC1 239762527 CLWUGXRFNYUZBW-ZFWWWQNUSA-N 300.468 2.760 0 50 DFAA CC(C)(C)n1ncc2c(=O)n(Cc3ccc(F)c(F)c3)cnc21 131187588 YRMYIFBZBKWFOP-UHFFFAOYSA-N 318.327 2.675 0 50 DFAA CC[C@H]1[C@@H](C)CCN1S(=O)(=O)c1cccnc1C(F)(F)F 287380378 NMGQCGNTECXUPD-UWVGGRQHSA-N 322.352 2.910 0 50 DFAA Cc1nnc(N[C@H]2CCN(c3ccc(Br)cc3)C2)o1 287930681 PJSUXBMZKAGVJP-NSHDSACASA-N 323.194 2.831 0 50 DFAA COc1ccccc1CN(CC(C)C)C(=O)N[C@H]1CCOC1 426383097 HWWHPGSYJRMLLZ-HNNXBMFYSA-N 306.406 2.652 0 50 DFAA CC(C)[C@@](C)(NCc1csc(Br)c1)C(N)=O 289414085 UBIVDLUKHUVJMM-LLVKDONJSA-N 305.241 2.500 0 50 DFAA O=C1CCC[C@H](Cc2nc(Cc3ccc(Cl)cc3)no2)N1 289630823 ISEGBWJPABWPAK-GFCCVEGCSA-N 305.765 2.525 0 50 DFAA Cc1ccccc1-c1noc([C@@H]2CCCN(C(=O)N(C)C)C2)n1 95365694 VPSYNRIAUBXOTP-CYBMUJFWSA-N 314.389 2.906 0 50 DFAA Cc1ccc([C@H](C(=O)NCCCc2ccccn2)N(C)C)cc1 95387625 KZMMQWFNNRCXIQ-GOSISDBHSA-N 311.429 2.742 0 50 DFAA C[C@@H](c1ccc(-c2cnn(CC(N)=O)c2)cc1)N1CCCCC1 426550032 OBVNVNBZFGKPAV-AWEZNQCLSA-N 312.417 2.582 0 50 DFAA COc1cc(-c2nc(N(C)C)nc(C)c2C)cc(OC)c1OC 97436866 AINFKRCHWLOEFG-UHFFFAOYSA-N 317.389 2.852 0 50 DFAA CCc1ccc(-c2cc(C(=O)N(C)CCn3cccn3)[nH]n2)cc1 97323944 ZYTAFZVKKBAJCD-UHFFFAOYSA-N 323.400 2.608 0 50 DFAA CN(CCC(=O)Nc1ccc(F)cc1F)C[C@@H]1CCCCO1 244601916 DUIJBEMSPOPVOU-ZDUSSCGKSA-N 312.360 2.794 0 50 DFAA CC(C)c1nnc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)o1 180004957 AAHSWLZOJOQVNZ-NSHDSACASA-N 314.389 2.929 0 50 DFAA Cc1nccn1CC1CCN(Cc2cncn2CC(C)C)CC1 244795136 RAILBZPMJSXBNR-UHFFFAOYSA-N 315.465 2.956 0 50 DFAA C[C@@H](C(=O)Nc1nncs1)N(C)C/C=C/c1ccccc1 252500498 SWUXZOQPSHCKGN-LZGFCCKTSA-N 302.403 2.510 0 50 DFAA Cc1nc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)nn1C 297460470 RIQQDDDKRADXHU-CYBMUJFWSA-N 303.341 2.632 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)c1cccc2c1NCCC2 534634021 WEBGSJFPZORSGH-GFCCVEGCSA-N 313.405 2.537 0 50 DFAA COc1ccc(OCC2CCN(Cc3nc(C)no3)CC2)cc1 299795082 LSDVUZNSFZXIRG-UHFFFAOYSA-N 317.389 2.678 0 50 DFAA CN(C)[C@@H]1CCN(C(=O)c2cccc(-c3ccncc3F)c2)C1 299764958 WLYVTVHNXKWLQO-OAHLLOKOSA-N 313.376 2.664 0 50 DFAA COc1ccccc1Cn1cc(C(=O)O)c2ccccc2c1=O 390834831 GBOXLDKDSKVIAS-UHFFFAOYSA-N 309.321 2.757 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)NCc2nc3ccccc3n2C)c1C 820602704 DRCAMGRJALIXIJ-UHFFFAOYSA-N 324.384 2.651 0 50 DFAA Cc1ncn(CCNC(=O)c2ccccc2NC(C)C)c1C 584889009 OFXSHPRBSKTZHB-UHFFFAOYSA-N 300.406 2.750 0 50 DFAA c1c[nH]c([C@H]2CCCN(Cc3noc(C4CCCC4)n3)C2)n1 670462336 RKQMINZBYXHUCK-ZDUSSCGKSA-N 301.394 2.830 0 50 DFAA O=C(c1ccccn1)[C@@H]1CCCN(C2CSCCSC2)C1 952872039 HIUZZTLCZUCULK-CYBMUJFWSA-N 322.499 2.825 0 50 DFAA COC[C@H](C)[C@@H](C)NCc1nnc2ccc(C(F)(F)F)cn12 170070022 RATLRTSDBDMMOC-VHSXEESVSA-N 316.327 2.509 0 50 DFAA CC(=O)CCc1ccc(OCC(=O)OCC[C@H]2CCCO2)cc1 170652610 BSMLMQPURSNJLG-MRXNPFEDSA-N 320.385 2.699 0 50 DFAA Cc1ccc([C@H](C)N(C)C[C@H](O)CC2(O)CCOCC2)c(C)c1 634644138 ORXYFQCKOFWTHY-DLBZAZTESA-N 321.461 2.589 0 50 DFAA CCc1cnc(CNC(=O)N[C@H](C)c2ccncc2OC)s1 189929071 OLKHFRHMWOHEBI-SNVBAGLBSA-N 320.418 2.670 0 50 DFAA C[C@@H]1CN(CCN2CC[C@H](C(F)(F)F)C(C)(C)C2)CCO1 192845830 VVNTVVJJHRQINM-OLZOCXBDSA-N 308.388 2.618 0 50 DFAA O=C(O)CN(Cc1nc(-c2ccccc2)no1)C1CCCCC1 652482698 QQHYDFQAWDRBGO-UHFFFAOYSA-N 315.373 2.956 0 50 DFAA C[C@@H](O)CN(C)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F 195556636 CZPWJMATCQVIBD-GHMZBOCLSA-N 318.339 2.659 0 50 DFAA CC(C)(C)n1cnc(NC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)n1 654036682 GRCZJSJAHHWBFG-QWHCGFSZSA-N 321.425 2.502 0 50 DFAA Cc1cc(C)c(NC(=O)N2CC(=O)N(C)[C@@H](C)C2)c(Cl)c1 669709165 NBNHTYYROADCOA-NSHDSACASA-N 309.797 2.651 0 50 DFAA O=C(Nc1c[nH]nc1Br)C1(C(F)F)CCCC1 585126390 XZBJGNAGJQDKKF-UHFFFAOYSA-N 308.126 2.936 0 50 DFAA Cc1cnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1 585114681 REBBKRZVFPSQCX-UHFFFAOYSA-N 319.430 2.561 0 50 DFAA Cc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)nc1 1772810725 KCZZEWWYQVACMG-UHFFFAOYSA-N 304.353 2.529 0 50 DFAA O=S(=O)(c1cccs1)N1CCc2[nH]c3ccccc3c2C1 12389507 KJMSCLAMAWUJEY-UHFFFAOYSA-N 318.423 2.976 0 50 DFAA CCN(CC)CC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12706830 YIDLLDQUTVQDIC-MRXNPFEDSA-N 309.498 2.632 0 50 DFAA C[C@H]1CN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)C[C@H](C)O1 13328032 HRISIDQLZSIMGN-KBPBESRZSA-N 317.429 2.969 0 50 DFAA CN(Cc1ccccc1)S(=O)(=O)NC[C@H]1CC[C@@H]2CCC[C@@H]21 1857676117 OPPMXFOUQMSQJW-BBWFWOEESA-N 322.474 2.779 0 50 DFAA CC1CCN(C(=O)[C@@H](C)Sc2n[nH]c(C(C)(C)C)n2)CC1 408011488 XHFAPNGFYAXPRK-LLVKDONJSA-N 310.467 2.841 0 50 DFAA Nc1nccnc1C(=O)Nc1ccccc1Cc1ccccc1 114677079 QTWUXFCRPJBGKI-UHFFFAOYSA-N 304.353 2.902 0 50 DFAA Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)c1 237666609 HUVCMKLBJXXBCS-SJORKVTESA-N 316.445 2.801 0 50 DFAA CS(=O)(=O)Nc1cccc(-c2noc(-c3ccsc3)n2)c1 241439983 NOBNMHLSYQTXOT-UHFFFAOYSA-N 321.383 2.837 0 50 DFAA CC1=CC[C@H]2CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2C1 247844665 RUIPTNNXGANNOJ-JKSUJKDBSA-N 305.443 2.878 0 50 DFAA CCC[C@](C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1C 252484643 GCJLFHVRPVBXPE-QGZVFWFLSA-N 319.380 2.601 0 50 DFAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCc1ccc(C)cc1 362261600 MFVJZVSJSAVQOD-SFHVURJKSA-N 322.408 2.632 0 50 DFAA CCc1ccc(C(=O)N2CCC(NC3CCOCC3)CC2)cc1 904218088 ZETMLQGWSCRPTQ-UHFFFAOYSA-N 316.445 2.622 0 50 DFAA CCC1(O)CCC(NC(=O)c2ccccc2CCC(=O)O)CC1 911580537 LACCGVNOMUVEIQ-UHFFFAOYSA-N 319.401 2.517 0 50 DFAA O=C(Nc1cnn(C2CCC2)c1)N1CCO[C@H](c2ccco2)C1 934317086 DCGIXBRFMFIGRM-HNNXBMFYSA-N 316.361 2.807 0 50 DFAA C=CC(=O)N(C)CC(=O)N1CCC[C@](C)(c2ccccc2)CC1 861664379 AXFWWBAKZZNSPN-IBGZPJMESA-N 314.429 2.601 0 50 DFAA COC1(c2noc(-c3n[nH]cc3C(F)(F)F)n2)CCCC1 864091485 XIFSYSUUSGYGIH-UHFFFAOYSA-N 302.256 2.894 0 50 DFAA O=S(=O)(c1ccc(Cl)s1)N1CC[C@@H](c2ccon2)C1 1875297965 JZSNFJHYDAQAON-MRVPVSSYSA-N 318.807 2.568 0 50 DFAA Cc1noc(C)c1Cc1nc(-c2cccc([C@H](O)CF)c2)no1 1875276440 ICHCRUVYPIMHPV-CQSZACIVSA-N 317.320 2.935 0 50 DFAA CC(C)c1coc(NC(=O)c2ccn(CC(F)(F)F)n2)n1 1875276223 JUMHPWFGHTYLKZ-UHFFFAOYSA-N 302.256 2.809 0 50 DFAA Cc1nc([C@@H](C)c2cnn(C)c2)n(-c2ccc3nc(C)[nH]c3c2)n1 1875336351 XRAXVLKMUCJEBM-JTQLQIEISA-N 321.388 2.646 0 50 DFAA CN(Cc1ccnc2ccccc12)[C@@H](C(N)=O)c1ccccc1 2325825233 JHQYFFDKZGLFMN-GOSISDBHSA-N 305.381 2.893 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1C=C[C@H](CO)C1 130861334 BNZGYCKTSQHJEJ-CMPLNLGQSA-N 304.777 2.797 0 50 DFAA CCCc1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 116330 PTWDWTGKELSZDN-UHFFFAOYSA-N 312.369 2.756 0 50 DFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccc(OC)c2)C1 237976 IWWNNLAAXVRBTL-MRXNPFEDSA-N 304.434 2.776 0 50 DFAA Cn1nc(-c2cccnc2)cc1NC(=O)c1ccc2c(c1)CCO2 2356151526 MDTPDGIMIBAHIK-UHFFFAOYSA-N 320.352 2.669 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1CCC2=O 2545060 PIXFHVWJOVNKQK-KHJCTFHVSA-N 306.446 2.930 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(CC)cc1 2888867 SRCVKIASAFODSV-CQSZACIVSA-N 304.415 2.605 0 50 DFAA O=C(Nc1nnc(CCCc2ccccc2)s1)[C@H]1CCCO1 6701330 FKHKIBLVIUPRPU-CYBMUJFWSA-N 317.414 2.831 0 50 DFAA Cc1cccc(CNC(=O)c2ccc(N3CCOCC3)cc2)c1 10113681 MKBLOIBFDPQSQK-UHFFFAOYSA-N 310.397 2.762 0 50 DFAA Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)c1 10314707 XOQAYLJIPMHCFB-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA Cc1ccc(C(=O)Nc2ccccc2)cc1NS(C)(=O)=O 10335204 ZVWCYRVHLRBPRZ-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA Cc1cc(C)c(CN2CCC[C@H]2Cn2cccn2)c(C)c1CO 55119046 RYDVHQZAINBCKL-KRWDZBQOSA-N 313.445 2.965 0 50 DFAA Cc1ccccc1C[C@@H](CO)NC(=O)[C@H]1CCCc2cccnc21 225526099 HJSATEPIBSPVAP-ROUUACIJSA-N 324.424 2.530 0 50 DFAA CCCCN(Cc1cccc(OC)c1)C(=O)[C@H]1CCCNC1 55283083 OTZPMEOCOAAIIK-INIZCTEOSA-N 304.434 2.824 0 50 DFAA O=C(NC[C@H]1CCCN(Cc2cccc(O)c2)C1)C1CCC1 67673233 VJVYCEKGDSKKCE-OAHLLOKOSA-N 302.418 2.521 0 50 DFAA O[C@@]1(CNCc2ccccc2Cl)CCCN2CCCC[C@@H]21 63845053 JZBHOSCWJRIAOU-IAGOWNOFSA-N 308.853 2.809 0 50 DFAA CC[C@H](O)CN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 253417177 NPHVQZHBYSHOQP-WDMOLILDSA-N 303.324 2.584 0 50 DFAA O=C(N[C@@H]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccccc12 69322017 AWTAOUROQYYVNB-OAHLLOKOSA-N 318.376 2.815 0 50 DFAA CC(C)Oc1ncccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 353628575 GVGGZBRUUQZCKJ-UHFFFAOYSA-N 311.341 2.616 0 50 DFAA Cc1ncc(C(=O)NC[C@@H](C)CN2CCCCC2)c(C2CC2)n1 281419704 ZWWZJZXGGIAOKC-CYBMUJFWSA-N 316.449 2.514 0 50 DFAA Cc1cnn(C[C@@H]2CCCN2C[C@@H](O)c2ccc(F)cc2)c1 229491214 DPXLJWPYHCOMTD-DLBZAZTESA-N 303.381 2.529 0 50 DFAA O=c1[nH]c(N2CCCCC2)nc2ncc3c(c12)-c1ccccc1C3 30874421 GWHFOZCHQZHJRS-UHFFFAOYSA-N 318.380 2.880 0 50 DFAA C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1C(=O)OC(C)(C)C 425038125 LJIZXCUZKZXWAP-JSGCOSHPSA-N 304.390 2.664 0 50 DFAA COC(=O)[C@@H]1CCC[C@H]1C(=O)N1CCc2cc(F)ccc2[C@H]1C 253370803 WMPWHDPVTHEGRD-HFBAOOFYSA-N 319.376 2.861 0 50 DFAA COC1(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCOCC1 154843272 UOCNWQZXNORHRF-VXGBXAGGSA-N 323.355 2.667 0 50 DFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)C1=CCCCO1 377130999 QOXCIMHLKTUMTR-GFCCVEGCSA-N 316.405 2.533 0 50 DFAA OC[C@@]1(O)CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 72127414 JZVDBPKXJWSTSX-OAQYLSRUSA-N 323.436 2.967 0 50 DFAA Cc1cc(NC(=O)NCC2(O)CCCCCC2)cn2ccnc12 333620590 GGOOREBWGGGWMU-UHFFFAOYSA-N 316.405 2.850 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 237523246 HATMRSCCFRSDPA-MRXNPFEDSA-N 311.328 2.611 0 50 DFAA O=C1CC[C@@H](NC(=O)N2CCCCCC2)[C@H](c2ccccc2)N1 334113719 FHEXLBYYLJPMLY-WBVHZDCISA-N 315.417 2.592 0 50 DFAA COCc1nc(C(=O)Nc2ccc3nc(S)oc3c2)cs1 158379497 JVIWZBRZRBJPJE-UHFFFAOYSA-N 321.383 2.972 0 50 DFAA CCCCNC(=O)N1CCC(c2nccn2CC2CC2)CC1 82137093 JJNRWXVDVSFVDM-UHFFFAOYSA-N 304.438 2.982 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)CC1CCC(C(F)(F)F)CC1 263335095 WBDPQXJNKIEGES-VQXHTEKXSA-N 307.312 2.821 0 50 DFAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)NC(C)C)c2n1 20614189 FEFLBAFFECKLBX-UHFFFAOYSA-N 314.311 2.592 0 50 DFAA CC(=O)Nc1nc(CN2CCC[C@H](c3ccncc3)C2)cs1 289248659 CEDONTGLTFKSHJ-AWEZNQCLSA-N 316.430 2.876 0 50 DFAA O=C(NC[C@@H](O)c1cccc(O)c1)NC1CCCCCCC1 426521464 PANHRKAXWWRZBD-MRXNPFEDSA-N 306.406 2.838 0 50 DFAA COc1ccccc1CCCNC(=O)NCC1(O)CCCCC1 426403755 TWPCOBMYESXBIB-UHFFFAOYSA-N 320.433 2.622 0 50 DFAA Clc1cc2c(cc1Cc1nc([C@H]3CCOC3)no1)OCCO2 96150717 USJBDOVZPBEEQD-VIFPVBQESA-N 322.748 2.589 0 50 DFAA Cc1c(CN2CCO[C@H](CCN)C2)[nH]c2c(Cl)cccc12 97425185 VQPASBIXGRFLGG-GFCCVEGCSA-N 307.825 2.679 0 50 DFAA Cc1noc(C)c1CC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244673770 HVEDLWUSSCDKSO-OZVIIMIRSA-N 320.414 2.524 0 50 DFAA C[C@H](CN1CCC2(C=Cc3ccccc32)CC1)N1CCOCC1 244858559 VNHTWTDDKIVPMM-QGZVFWFLSA-N 312.457 2.768 0 50 DFAA CCOC(=O)Cc1nc(Br)ccc1Br 263623661 JKOLFHUFMLQBIK-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA CSCC[C@@H](O)C(=O)NC1(Cc2ccc(Cl)cc2)CC1 299786656 NPCIPUCAWIFFHC-CYBMUJFWSA-N 313.850 2.645 0 50 DFAA Cn1ccnc1[C@@H](NC(=O)c1cccc(OC(F)F)c1)C1CC1 299793627 HJWHSCMPYQLCCN-ZDUSSCGKSA-N 321.327 2.903 0 50 DFAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)CC(C)(C)C)c1 823676188 RJQLNOIFGHDOPR-UHFFFAOYSA-N 305.422 2.870 0 50 DFAA CCN(CC)C[C@@H]1CCCN1C(=O)c1c(C)cccc1OC 823076087 XKHRUOPLKYPHNG-HNNXBMFYSA-N 304.434 2.950 0 50 DFAA Cc1cc(F)ccc1N1CCC(N[C@H](C)c2nncn2C)CC1 584896251 GEJMHQSVWIRTEX-CYBMUJFWSA-N 317.412 2.582 0 50 DFAA COc1cc(F)cc(NC(=O)[C@@H]2CCN(c3ccncc3)C2)c1 1420897629 QUHBZQZSWYTDRA-GFCCVEGCSA-N 315.348 2.694 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1CN1CCOCC1)n1cccc1 952868704 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321.417 2.667 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F 238069498 BUNXZMMJQRNHRL-VXGBXAGGSA-N 315.291 2.798 0 50 DFAA CC(C)(C)[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1cccs1 236651591 IVUJPNMOFJSVRX-RISCZKNCSA-N 324.446 2.501 0 50 DFAA COc1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)ccc1F 248034806 RJJHVKQEZRVROG-BPNCWPANSA-N 321.348 2.692 0 50 DFAA OC[C@@H]1C[C@H](F)CN1Cc1ncc(-c2cccc(Cl)c2)o1 346357239 JGHUPFWKMANXFE-STQMWFEESA-N 310.756 2.900 0 50 DFAA Cc1cc(C(=O)NCCc2nc3ccccc3o2)nn1C(F)F 551650968 QJRBCWAYRCCSBT-UHFFFAOYSA-N 320.299 2.700 0 50 DFAA CC(C)(CNC[C@@]1(c2ccccc2)COCCO1)[C@@H]1CCCO1 2325779703 YLWFNRHXJYSFGU-HKUYNNGSSA-N 319.445 2.724 0 50 DFAA C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12 2325786973 OWLZAYWAQKOCTD-DOPJRALCSA-N 322.408 2.680 0 50 DFAA c1nsc(N2CCN(CCc3ccc4occc4c3)CC2)n1 2325793101 FHFHBDVWHVPDFE-UHFFFAOYSA-N 314.414 2.649 0 50 DFAA Cc1cc(C)c(/C=C/CN2CCC[C@@]2(CCO)C(=O)O)c(C)c1 2325830064 ZPFMAOOEZXDCBA-FHHGHWCOSA-N 317.429 2.927 0 50 DFAA 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302.765 2.705 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 828296205 ZSLFXWADYIQPDL-YXMPFFBPSA-N 324.163 2.826 0 50 DFAA CC[C@H](C(=O)N1CCC(Cc2cccnc2)CC1)n1cccn1 584894200 ARZOMRCZHZGDMH-QGZVFWFLSA-N 312.417 2.711 0 50 DFAA CN(Cc1cnccc1Cl)C[C@@H]1CC(=O)N(C(C)(C)C)C1 670438286 XFVIGWLRXRSMTM-LBPRGKRZSA-N 309.841 2.814 0 50 DFAA c1ccc2c(N3CCN(CC[C@H]4CCOC4)CC3)nsc2c1 670467194 XZYGTUDBLGVULP-AWEZNQCLSA-N 317.458 2.845 0 50 DFAA O[C@@H](C[C@H]1COCCN1c1ncccc1F)c1ccccc1 268705635 SFUJQHCSOZLNNA-HOCLYGCPSA-N 302.349 2.550 0 50 DFAA CN(C)[C@@H]1CCC[C@H]1NC(=O)CC1CC(C)(C)NC(C)(C)C1 952869960 RCSDLCLEUHBRFN-HUUCEWRRSA-N 309.498 2.532 0 50 DFAA COc1cc2ccn(Cc3c(C)noc3C)c(=O)c2cc1F 165509355 HKQGCNUEIFZFQB-UHFFFAOYSA-N 302.305 2.802 0 50 DFAA Cc1cc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)c(C)o1 275301275 HQTKDTDJIFJAMN-ZDUSSCGKSA-N 319.361 2.617 0 50 DFAA CC(C)Oc1ccc(NC(=O)[C@H]2CCCC(=O)N2)c(Cl)c1 275495990 UHCAIPBDTURAQA-CYBMUJFWSA-N 310.781 2.734 0 50 DFAA 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CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1nc2ccccc2[nH]1 344593836 RMNWDXADTAQOGL-RRQGHBQHSA-N 315.417 2.579 0 50 DFAA COc1ccnc(C(=O)NCCc2csc(C(C)C)n2)c1 116187250 SQUSKHREBRZPJY-UHFFFAOYSA-N 305.403 2.643 0 50 DFAA COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1C 10110265 GQAGVNHGOALXOF-UHFFFAOYSA-N 319.426 2.915 0 50 DFAA O=C([C@H]1CCc2ccccc2C1)N1CCC(Cn2ccnc2)CC1 219794118 NOMKNILUGLQGAB-IBGZPJMESA-N 323.440 2.927 0 50 DFAA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2ccccc2)c1 67726310 CVTXBAOMBMDWQI-AWEZNQCLSA-N 310.397 2.950 0 50 DFAA CCC1(CC)CN(c2cc([C@H]3CCCNC3)nc(C)n2)CCO1 67871571 UDTXFJDFVSOSOF-HNNXBMFYSA-N 318.465 2.647 0 50 DFAA COc1ccc([C@@H](NS(=O)(=O)c2cccnc2)C2CC2)cc1 253416480 HBRULLYSQHPXQW-INIZCTEOSA-N 318.398 2.520 0 50 DFAA O=C(OCc1ccccc1)[C@@H]1COCCN1Cc1ccccc1 26894980 PFVNMNCFVVSLRA-SFHVURJKSA-N 311.381 2.631 0 50 DFAA CCn1cncc1CNc1cc(C)nc(N2CCCCC2)n1 65505336 KAGFLZPTSMHZTK-UHFFFAOYSA-N 300.410 2.604 0 50 DFAA COc1ccc(O)c(C(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)c1 63832635 PPBYEPWQIPUFEJ-ZDUSSCGKSA-N 314.385 2.807 0 50 DFAA O=S(=O)(Nc1ccc(-c2nccs2)cc1)N1CCCCC1 329536712 BGWRDNGQHRYNLT-UHFFFAOYSA-N 323.443 2.953 0 50 DFAA CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)O)cc1 149955656 YOJZCQCNBHNKOS-UHFFFAOYSA-N 309.362 2.607 0 50 DFAA CN(Cc1ccon1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328647516 TZLJCFXVUSQOPC-SNVBAGLBSA-N 314.311 2.584 0 50 DFAA COCC1(CNC(=O)[C@H](C)c2c(C)nn(C)c2C)CCCCC1 358328860 KWNBJFBYOKATKF-CYBMUJFWSA-N 321.465 2.854 0 50 DFAA Cc1cc(F)ccc1-n1ccnc1-c1cc2n(n1)CCCNC2 72436158 ZAIKVEJSZCRSRZ-UHFFFAOYSA-N 311.364 2.677 0 50 DFAA CN(C)c1ccc(CCC(=O)NCc2ccc3nonc3c2)cc1 219324626 QNCBQXPTPUKAGJ-UHFFFAOYSA-N 324.384 2.538 0 50 DFAA O=C(OCC1CCCCC1)N1CC(c2n[nH]c3c2COCC3)C1 1364077279 YRCPYHXXXDZMAO-UHFFFAOYSA-N 319.405 2.599 0 50 DFAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCC1OCCO1 124585875 RXUIKAGYYMDHRX-WMZOPIPTSA-N 318.461 2.592 0 50 DFAA CCCCCN1CCC(Oc2ccc(C)nc2)(C(=O)O)CC1 72458216 FEOUKUVJAWNJOH-UHFFFAOYSA-N 306.406 2.878 0 50 DFAA O=C(c1cc(Cl)c[nH]1)N1CCC(NCc2cnsc2)CC1 1364608985 UEPZIYFXOONGLI-UHFFFAOYSA-N 324.837 2.519 0 50 DFAA COc1ccncc1NC(=O)c1csc([C@H]2CCCO2)n1 125458872 YZBMBDUESJBJKE-GFCCVEGCSA-N 305.359 2.651 0 50 DFAA CCc1nnc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)o1 72148223 XJQUHVRLEFSVDA-HNNXBMFYSA-N 313.401 2.656 0 50 DFAA Cc1nnc(SCC(=O)N2CCC[C@H]2c2ccccn2)s1 215046758 JFBYXSQHSRBGHM-LBPRGKRZSA-N 320.443 2.697 0 50 DFAA CC(=O)N[C@@H]1CN(CCCOCc2ccccc2)C[C@H]1C(C)C 77520647 DIJPRDFKQHDFNO-RBUKOAKNSA-N 318.461 2.686 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N[C@@H](C)c1nc(C2CC2)no1 219471735 SNHDYPWQPDFZKP-ZETCQYMHSA-N 323.299 2.725 0 50 DFAA O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](N2CCCCC2)C1 215139464 XAVQWBVMFOQDIJ-MRXNPFEDSA-N 306.837 2.969 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CC[C@H]1CCCCO1 237024264 WMWUUUJMQGLAMA-OAHLLOKOSA-N 305.374 2.693 0 50 DFAA CNC[C@@H]1CCCN(C(=O)c2ccc(F)c(CSC)c2)C1 237200249 MYLRNTQUNJILCP-LBPRGKRZSA-N 310.438 2.760 0 50 DFAA COC(=O)[C@@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 71769246 IIWOWYLMCKOVFI-AWEZNQCLSA-N 312.321 2.945 0 50 DFAA Cc1cc(C(N)=O)ccc1NC(=O)Cc1ccc(Cl)cc1 41931043 PEAMOSYHRBAWJT-UHFFFAOYSA-N 302.761 2.929 0 50 DFAA CO[C@H](CN[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1 338565339 XGKDBVPMKZKHIL-RHSMWYFYSA-N 323.400 2.701 0 50 DFAA Cc1cccc(CC2CN(C(=O)c3nc[nH]c4nccc3-4)C2)c1 612121107 WNDOMKXVUHCRHR-UHFFFAOYSA-N 306.369 2.533 0 50 DFAA Cc1ncsc1CCCNC(=O)c1cc(C(C)C)nn1C 82087187 HEYVPKQXYIGYRD-UHFFFAOYSA-N 306.435 2.671 0 50 DFAA Cc1c([C@@H](C)NC(=O)c2c[nH]nc2-c2cccs2)cnn1C 426489968 DJZQMNAFCNBYCQ-SECBINFHSA-N 315.402 2.671 0 50 DFAA CC(C)(C)c1nnc(NC2CCN(Cc3ccccn3)CC2)o1 91493461 MXVJGKRFZOBJJT-UHFFFAOYSA-N 315.421 2.839 0 50 DFAA O=C1N[C@H]2CC[C@@H]1CN(Cc1ccc3cccc(Cl)c3n1)C2 97137844 AOSJJHXCHFNCSG-OCCSQVGLSA-N 315.804 2.599 0 50 DFAA COCCN1C[C@H]2CC[C@@H]1CN(CCSc1ccccc1)C2 95357705 HGUBOYUNTPVWFX-DLBZAZTESA-N 320.502 2.821 0 50 DFAA CN1CCc2ncnc(N3CCC[C@H]3Cc3ccccc3)c2C1 242339402 ZHOAOKIJSFRKLC-INIZCTEOSA-N 308.429 2.676 0 50 DFAA O[C@H](CN1CCc2[nH]c3ccc(F)cc3c2C1)c1cccnc1 294956573 NAFPHCKRRGBJAD-GOSISDBHSA-N 311.360 2.794 0 50 DFAA Cc1ccc(C)n1CCC(=O)Nc1nnc([C@H]2CCCO2)s1 253395086 AHFFWDMVUPKMSC-GFCCVEGCSA-N 320.418 2.837 0 50 DFAA Cc1ccc2c(=O)cc(C(=O)N[C@@H]3COc4ccccc43)oc2c1 252497597 QKORPCXHJBJGKK-CQSZACIVSA-N 321.332 2.965 0 50 DFAA COCC[C@H]1CCCCN1CCC(=O)NCc1ccc(C)cc1 252488278 IOMKUQMPUPNWOU-GOSISDBHSA-N 318.461 2.892 0 50 DFAA C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O 257345820 JVEWXTLFKFWQPU-DSTQNZILSA-N 306.446 2.930 0 50 DFAA CN(C)CCN(C)C(=O)c1ccc(-c2ccc3c[nH]nc3c2)cc1 534666293 ANGPPYJXAKMVJV-UHFFFAOYSA-N 322.412 2.864 0 50 DFAA CCCn1cc(NC(=O)N2CCCC[C@H]2c2nccs2)nn1 299782033 SBBKRWAOUXPBRA-NSHDSACASA-N 320.422 2.904 0 50 DFAA Cc1c(NC(=O)N(C)Cc2ncc[nH]2)cccc1N1CCCC1 299782806 QOCLXMVAVFRCCE-UHFFFAOYSA-N 313.405 2.982 0 50 DFAA CC(C)(COC(=O)CCSc1ccccc1)N1CCNC1=O 585136269 YRWNIAPSCSFLKD-UHFFFAOYSA-N 322.430 2.516 0 50 DFAA Cc1nccc([C@@H]2CCCN(c3nc(C)nc(C)c3F)C2)n1 585146040 LKQXGZAPZAFPON-CYBMUJFWSA-N 301.369 2.715 0 50 DFAA Cc1ccc([C@H]2C[C@H](C)N(CC3(CS(C)(=O)=O)CC3)C2)cc1 408514826 XDPLQOKYYYQEOA-RDJZCZTQSA-N 321.486 2.998 0 50 DFAA O=C(NCC1(c2ccccc2Cl)CC1)N[C@@H]1C=C[C@H](CO)C1 270643000 KEVBENVRSPLKMK-QWHCGFSZSA-N 320.820 2.608 0 50 DFAA Cc1ncc([C@@H](C)NC(=O)NCc2cccc(C(=O)O)c2)s1 635518519 DJCXXMOPEVXTKD-SECBINFHSA-N 319.386 2.710 0 50 DFAA O=C(Nc1ccncn1)N1CCC[C@@H]1C[C@H](O)c1cccs1 194050159 UJJAWVGSDDQDBF-NEPJUHHUSA-N 318.402 2.658 0 50 DFAA c1cc(-c2cc(C3CCN(c4cnccn4)CC3)n[nH]2)ccn1 663983878 MQCGKFMBSSLQAT-UHFFFAOYSA-N 306.373 2.646 0 50 DFAA Fc1ccc([C@H]2CCCN2CCN2CCCOCC2)cc1F 585085345 CUPNCXKWSUXKAO-QGZVFWFLSA-N 310.388 2.824 0 50 DFAA Cc1nc(CN2C[C@@H]3CCC[C@@]3(C(N)=O)C2)sc1C(C)(C)C 1615043159 DOCCVBSKWLCSKV-YVEFUNNKSA-N 321.490 2.836 0 50 DFAA COCCN1CCC[C@H](CNc2nc(C)nc3ccccc23)C1 1506424838 NSMYHLIFBBQGJE-OAHLLOKOSA-N 314.433 2.709 0 50 DFAA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc(C)c1)C2 222099904 KGTPXGYGJQPBNP-RDJZCZTQSA-N 317.433 2.570 0 50 DFAA CSCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2F)C1 12030670 NJBZEQUXGKYGCE-CQSZACIVSA-N 310.438 2.612 0 50 DFAA CN1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 16580496 MTOINRVMROEEOK-UHFFFAOYSA-N 301.217 2.746 0 50 DFAA CN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 19727931 CLNDPGGCZWREBJ-LJQANCHMSA-N 303.365 2.534 0 50 DFAA biogenic COc1cc(-c2nccn2C2CCOCC2)cc2c1OCO2 1857681575 GNZTXBUSOYVLSX-UHFFFAOYSA-N 302.330 2.639 0 50 DFAA Cn1c(=O)c(-c2nccn2CC2CCOCC2)cc2ccccc21 1857689406 PDEOVVHXDAYGDE-UHFFFAOYSA-N 323.396 2.829 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 237956192 BKTUNKUGOBBJMC-BFHYXJOUSA-N 312.335 2.759 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H]2C=C[C@H]1C2 100293314 DYFKMYSUQISRAG-VDUILEQBSA-N 314.366 2.758 0 50 DFAA CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1 145896 JBWMLZHDZRLPEX-UHFFFAOYSA-N 308.341 2.814 0 50 DFAA CCn1cc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)cn1 249695802 RLTHEUQNBPKOQA-QUCCMNQESA-N 324.472 2.999 0 50 DFAA CCC[C@@](C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1C 252484642 GCJLFHVRPVBXPE-KRWDZBQOSA-N 319.380 2.601 0 50 DFAA COCC[C@@H]1CCCCN(C(=O)c2cncnc2C(C)C)C1 368760611 GYADQXZQUCUBNQ-AWEZNQCLSA-N 305.422 2.879 0 50 DFAA CCOC(=O)c1cc(NC(=O)[C@H]2CCCO2)c2ccccc2n1 585086558 DHENBAYRUVQXIY-OAHLLOKOSA-N 314.341 2.529 0 50 DFAA CCN(C(=O)[C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1C 930325004 JEPXIDIVJRSDKT-HNNXBMFYSA-N 312.417 2.819 0 50 DFAA Cc1cc(N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)c2c(C)noc2n1 1875287864 DFRZGHBRNUIVSC-UOJUARBOSA-N 303.362 2.934 0 50 DFAA C=CC(=O)N(C[C@@H]1CCSC1)C[C@H]1COc2ccccc21 1875382025 NXLRFVRTPHFDOO-KBPBESRZSA-N 303.427 2.930 0 50 DFAA CO[C@@]1(c2nnc(CCOc3ccc(C)cc3C)o2)CCOC1 886082102 AJRYUOGAZGUZTP-KRWDZBQOSA-N 318.373 2.570 0 50 DFAA Cc1[nH]c2ccc(-c3noc([C@H]4OCC[C@H]4CN)n3)cc2c1C 888078229 BJJKEQYRWRQZAP-WFASDCNBSA-N 312.373 2.871 0 50 DFAA COc1nn(C)cc1CNC(=O)N[C@H](C)c1ccc(Cl)cc1 891530195 XMZGXYQODMPWCQ-SNVBAGLBSA-N 322.796 2.643 0 50 DFAA COc1ccc(-c2noc([C@H](C)OC)n2)nc1Br 1775985053 HDFDKPTVLOWRGJ-LURJTMIESA-N 314.139 2.610 0 50 DFAA O=C(Nc1ccc(Cl)cc1Cl)c1nc2ncccn2n1 923976 MFFMHUPZVALYNJ-UHFFFAOYSA-N 308.128 2.683 0 50 DFAA COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 129850 RMYSGGBJOJXDCH-NWDGAFQWSA-N 307.346 2.533 0 50 DFAA CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 341981 VPZLICFMCPTGJV-QGZVFWFLSA-N 315.756 2.777 0 50 DFAA Cc1cccc(C)c1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 399404 BFUVAEAKGNIVMZ-UHFFFAOYSA-N 319.386 2.595 0 50 DFAA in-vitro CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1 470075 BMFPEWIIBMVNKB-UHFFFAOYSA-N 307.371 2.895 0 50 DFAA CN1C[C@H]2C[C@@H](N(C)c3ncc(Cl)cc3F)C[C@H]2CC1=O 2356151078 QDPQVTJLUBIMLQ-UMNHJUIQSA-N 311.788 2.567 0 50 DFAA CCCCOCCCNS(=O)(=O)c1ccc(Cl)cc1 2739374 NAYHWEZWQTVJAQ-UHFFFAOYSA-N 305.827 2.825 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2ncccc2C)cc1 4663672 PRYOBTGAJFVTOL-UHFFFAOYSA-N 301.371 2.525 0 50 DFAA CCc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 4842471 KKEADQMSOWUASJ-UHFFFAOYSA-N 308.337 2.727 0 50 DFAA O=C(NCc1ccccc1)[C@H]1CC(O)=Nc2nc3ccccc3n21 8738219 ZXXCYVPUUCVPOV-OAHLLOKOSA-N 320.352 2.886 0 50 DFAA O=C(NC[C@@H]1CCCN(Cc2ccccn2)C1)c1cccs1 12435023 GZICJVIIPIUEBX-AWEZNQCLSA-N 315.442 2.785 0 50 DFAA c1ccc(Cc2n[nH]c(CCc3ccc4c(c3)OCO4)n2)cc1 65492257 LVSRFXKYTKJNRH-UHFFFAOYSA-N 307.353 2.909 0 50 DFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)Cc1cccs1)C2 67787956 JTBCMJUCZBFTDM-UHFFFAOYSA-N 301.415 2.921 0 50 DFAA CCOCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C 248320179 RXWJSLAOXPJWEO-RCCFBDPRSA-N 312.498 2.624 0 50 DFAA CCCc1nc(CNC(=O)[C@H]2COc3ccccc3O2)cs1 67642627 BSJUHTHYWKQISZ-CQSZACIVSA-N 318.398 2.552 0 50 DFAA Cc1cc([C@H]2CCCCN2Cc2ncccc2C(=O)O)no1 65504667 FDYUJWHAOBZACT-OAHLLOKOSA-N 301.346 2.803 0 50 DFAA Cc1nc(/C=C/C(=O)N2C[C@H](C(=O)O)c3ccccc32)cs1 316659416 XZSVTHCYNNIHTJ-YBJDMEARSA-N 314.366 2.680 0 50 DFAA Cc1ccc2ncc(CN(C)C[C@H]3CCc4nccn4C3)n2c1 328630940 JXOXLOAABWFHTO-OAHLLOKOSA-N 309.417 2.534 0 50 DFAA CC(C)=CCC[C@@H](C)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 328608516 ZFMJXVCGLWFAHV-HYVNUMGLSA-N 306.454 2.979 0 50 DFAA CCN(CC(=O)O)C1CC(/N=C(/O)[C@@H](C)Cc2cccs2)C1 328641255 QNDXMBLNWOBYLW-HIFPTAJRSA-N 324.446 2.821 0 50 DFAA c1ccc(N2CCC(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)nc1 253369546 DWTFPNBKRIIDIQ-KBAYOESNSA-N 313.445 2.598 0 50 DFAA CC(C)n1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cn1 331625728 OZQMWFLDGYPPRZ-JKSUJKDBSA-N 317.364 2.551 0 50 DFAA O=C(O)/C=C\C(=O)Nc1cccc(-c2cn3ccccc3n2)c1 31912826 MPLOBVIJZHFITH-FPLPWBNLSA-N 307.309 2.581 0 50 DFAA O=C(Nc1ccccc1F)c1cn2c3c(cccc3c1=O)CC2 33088739 OIXLSKOFTQNCPM-UHFFFAOYSA-N 308.312 2.949 0 50 DFAA CCO[C@H]1C[C@@H](N(C)C(=O)Cc2c(C)n[nH]c2C)C12CCCC2 172724862 RPPZVWRPJUTYLA-CVEARBPZSA-N 319.449 2.765 0 50 DFAA O[C@H]1C[C@H](c2ccc(F)cc2)N(Cc2ncc(C3CC3)o2)C1 340728782 PGYDTOBDPZNLRW-LSDHHAIUSA-N 302.349 2.999 0 50 DFAA Cc1coc(C)c1C(=O)N1CCN(c2ccc(O)cc2)CC1 332433486 XLTYWNNIPDWFNH-UHFFFAOYSA-N 300.358 2.564 0 50 DFAA COc1cccc(CN2CCC[C@@H](c3nccn3C)C2)c1F 241213367 KOIJAPOKBMVPAN-CQSZACIVSA-N 303.381 2.947 0 50 DFAA O=C(c1ccc2ncccc2c1)N1CC[C@](O)(c2ccccc2)C1 219582594 GXSZDKOLKVYPNY-HXUWFJFHSA-N 318.376 2.969 0 50 DFAA COC[C@H]1CCCCN(c2nc(N(C)C)c3ccccc3n2)C1 450446473 OAQHUBKQVKOKMG-AWEZNQCLSA-N 314.433 2.949 0 50 DFAA Clc1ccc([C@H]2CCCCN2c2ccc3nnnn3n2)cc1 450827812 IWOUWKRYRICHOH-CYBMUJFWSA-N 314.780 2.904 0 50 DFAA CCCc1ncncc1C(=O)N(Cc1cccc(O)c1)C1CC1 215232451 MHBYLZLQBNVSMP-UHFFFAOYSA-N 311.385 2.940 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2c2ccnc3ccncc23)c1 283679854 ZCQMERQITWOGJD-AUUYWEPGSA-N 321.380 2.951 0 50 DFAA COc1cc(NC(=O)c2cc(C3CC3)no2)ccc1C(=O)O 262993459 QLXHOVDZYNABKZ-UHFFFAOYSA-N 302.286 2.511 0 50 DFAA Cc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)n(C)n1 495938814 AWPWMLRBIJSAJP-QGZVFWFLSA-N 324.469 2.758 0 50 DFAA CCCc1cc(C(=O)NC[C@@H](OC)c2ccc(F)cc2)[nH]n1 174506734 VKFQIOFSAUIGBE-OAHLLOKOSA-N 305.353 2.619 0 50 DFAA C[C@H](N)C(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12 42854145 NBOUCVYVHLNYGX-YFKPBYRVSA-N 317.570 2.836 0 50 DFAA O=C1CN(Cc2cc(F)cc(F)c2)CCN1c1ccccc1 82109146 YXXCXZORHAKBJL-UHFFFAOYSA-N 302.324 2.814 0 50 DFAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cccc2ccoc12 333269025 CDXDDEZDDGUXAQ-AWEZNQCLSA-N 322.430 2.538 0 50 DFAA Cc1nc(C(C)C)ccc1CN1CCO[C@@H](c2cnn(C)c2)C1 292781805 KSKVYHIXJBUVNI-GOSISDBHSA-N 314.433 2.820 0 50 DFAA Cc1cccc2[nH]c(CNC(=O)CC[C@@H]3CCCCN3C)nc12 95369916 MIZDLKUXCILAHY-AWEZNQCLSA-N 314.433 2.752 0 50 DFAA Cn1ccnc1-c1ccc(NC[C@@H]2COc3ccccc3C2)nn1 96163953 ZLGBDSDEASVDAJ-CYBMUJFWSA-N 321.384 2.540 0 50 DFAA CCCn1nccc1NC(=O)N1CCc2c(cccc2OC)C1 180798704 UKKIKGKSQPSVQG-UHFFFAOYSA-N 314.389 2.892 0 50 DFAA Cc1nn(C)c2nc(N(C)Cc3noc(C4CCC4)n3)sc12 96165739 BEPQZSIIQNQMEH-UHFFFAOYSA-N 318.406 2.625 0 50 DFAA Cc1ccc2nc(C(=O)N[C@H]3COC4(CCCCC4)C3)cn2c1 91663731 HDAJYUHLKODSIR-CQSZACIVSA-N 313.401 2.864 0 50 DFAA Cn1nccc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 181962104 PTNIVFRUTPODNU-UHFFFAOYSA-N 318.808 2.922 0 50 DFAA CCN(C)c1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)ncn1 243893538 ARTDFKJRSFLESH-AWEZNQCLSA-N 310.401 2.528 0 50 DFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCC1(C(C)C)CC1 534674053 NNITXJLBXQUMRU-INIZCTEOSA-N 320.433 2.893 0 50 DFAA Cc1nn(CCNC(=O)Nc2ccc3cn[nH]c3c2)c(C)c1C 299764824 MPEFYKOHXVILLF-UHFFFAOYSA-N 312.377 2.506 0 50 DFAA CCc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)[nH]1 584890141 LGJVCDMEYCUHNL-UHFFFAOYSA-N 302.374 2.867 0 50 DFAA CCN(C)C1(CNC(=O)c2c(C)cccc2OC)CCCC1 584884050 IBUCEMMAURZFDS-UHFFFAOYSA-N 304.434 2.998 0 50 DFAA Cc1nc([C@@H]2CCCN2c2ncnc3scnc23)[nH]c1C 1333831109 BOFBWWQCRUIZJP-JTQLQIEISA-N 300.391 2.768 0 50 DFAA CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC=C(F)C1)C1CCC1 408521875 XDHLGOWYABLYRR-ZDUSSCGKSA-N 312.385 2.766 0 50 DFAA CCc1nccc(CNC2CCN(Cc3cccs3)CC2)n1 952965771 AJXCIJYQVHKNQL-UHFFFAOYSA-N 316.474 2.855 0 50 DFAA COC(=O)c1cc(/C=C/c2ncc(/C=C/C(=O)O)s2)c[nH]1 170657002 QYIUEGDPLQOMAW-ZUVMSYQZSA-N 304.327 2.526 0 50 DFAA COc1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1Cl 280238044 KHQUGZFXHNGOBZ-WBMJQRKESA-N 311.809 2.728 0 50 DFAA Cc1cc(C(=O)Nc2c(C)nn(CCC(=O)O)c2C)c(C)s1 630333976 QXACJIJGWNCEDQ-UHFFFAOYSA-N 321.402 2.905 0 50 DFAA CCOC(=O)c1ccc(-n2ncc3c(Cl)ncnc32)cc1 91691973 VLJVVLSFEQKDIO-UHFFFAOYSA-N 302.721 2.646 0 50 DFAA in-vitro CCC[C@@H](NC(=O)Cn1cnc(C)c(C)c1=O)c1ccccc1 188211293 BDBRASWMJZKMRZ-MRXNPFEDSA-N 313.401 2.518 0 50 DFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 190638878 HBEGYKGREYREFS-FUHWJXTLSA-N 313.445 2.718 0 50 DFAA COc1ccnc(CN2CCO[C@@H](c3cccs3)C2)c1OC 190704760 IOKRDSFFLOPIAG-CQSZACIVSA-N 320.414 2.734 0 50 DFAA Cc1nc(Oc2ccc(-n3cccn3)cc2)c2cnn(C)c2n1 737414637 QPZVYQVVDNDGKI-UHFFFAOYSA-N 306.329 2.650 0 50 DFAA CCOc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2N)cc1 11693009 JZQPVSHWKZPHFI-UHFFFAOYSA-N 323.356 2.501 0 50 DFAA COc1cc2c(cc1OC)NCCN(C(=O)OC(C)(C)C)C2 12648507 XNSPGFQVDOLCAR-UHFFFAOYSA-N 308.378 2.866 0 50 DFAA CC(C)NC(=O)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 169759635 VZFNKLHBBRJECB-OAHLLOKOSA-N 319.792 2.946 0 50 DFAA O=C1N/C(=C/c2ccsc2)C(=O)N1Cc1ccccc1F 4498296 OLCUMZDNDOCZPO-NTUHNPAUSA-N 302.330 2.980 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)NCc1nc2ncccc2o1 1857678209 ILJGTTORNSOWIK-CYBMUJFWSA-N 307.353 2.959 0 50 DFAA CN1CC2(C1)CN(C(=O)CCc1ccc(-c3cccs3)o1)C2 1857700616 XKCCPSFVBIYWRU-UHFFFAOYSA-N 316.426 2.715 0 50 DFAA Cc1cnn(Cc2ccc(Cl)cc2)c1NC(=O)[C@H]1CCOC1 1875248385 NWBFEPFRORAFMB-ZDUSSCGKSA-N 319.792 2.868 0 50 DFAA Cc1nccc(NC(=O)NCc2ccccn2)c1Br 225470955 ADGQHBGNTHFLMA-UHFFFAOYSA-N 321.178 2.869 0 50 DFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@H]1C1CC1 238122114 QCCASJSNZFJHDN-CHWSQXEVSA-N 323.339 2.814 0 50 DFAA Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](c1ccncc1)C(C)C 241657668 PYGVQIGFKZEMFT-LRDDRELGSA-N 300.406 2.741 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@H](C(=O)O)c2ccccc21 131958104 AGOREENCAUGMIB-NSHDSACASA-N 304.733 2.507 0 50 DFAA CN1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3)cn2)C1 669601985 LMEKMEPPYHJHTO-AWEZNQCLSA-N 311.385 2.698 0 50 DFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)CCc1ccc(C)cc1 362261599 MFVJZVSJSAVQOD-GOSISDBHSA-N 322.408 2.632 0 50 DFAA Cc1cnccc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 156925072 HDKQMEBGGKZEKC-HNNXBMFYSA-N 302.422 2.730 0 50 DFAA COc1ccc([C@@H]2CCCN2c2cc3nncn3c(C)n2)cc1 265994864 JFLNOLAEQRAPBB-HNNXBMFYSA-N 309.373 2.783 0 50 DFAA CNc1ccccc1C(=O)N1CC2(CCN2Cc2ccccc2)C1 910784341 SBVZKUBUNZTPBH-UHFFFAOYSA-N 321.424 2.829 0 50 DFAA C[C@]1(CNC(=O)C[C@H]2CCCC[C@@H]2O)OCCc2ccccc21 921834751 JHHOOFZTENPWTE-HHXXYDBFSA-N 317.429 2.532 0 50 DFAA COc1cc(O)ncc1C(=O)N[C@@H](C)Cc1ccc(F)cc1C 824764127 KRXJDLCTPUWEGZ-NSHDSACASA-N 318.348 2.604 0 50 DFAA COc1ccc2nccc(N3CCC[C@@H](Cn4ccnn4)C3)c2c1 1120033451 OWMAVYKMAAREES-CQSZACIVSA-N 323.400 2.752 0 50 DFAA C[C@H](NCc1ncnn1C(C)(C)C)C1=Cc2ccccc2OC1 1875285788 ZBXIYJQZTFJSGB-ZDUSSCGKSA-N 312.417 2.987 0 50 DFAA COc1ccc2cnn(CCCc3ccccc3)c(=O)c2c1O 1875323109 XJUDKBVMPAVUOU-UHFFFAOYSA-N 310.353 2.744 0 50 DFAA CC1(C)CCC(C(=O)COC(=O)c2nc[nH]c3nccc2-3)CC1 1875307200 WZJZZRMFVJXQQC-UHFFFAOYSA-N 315.373 2.852 0 50 DFAA CN(C)Cc1ccc(-c2noc(-c3cnc(Cl)n3C)n2)cc1 888095440 GSRNMHBFTGZGFL-UHFFFAOYSA-N 317.780 2.852 0 50 DFAA C[C@@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC1CC1 1775999480 ULJMFZDRMVETTQ-SECBINFHSA-N 316.327 2.780 0 50 DFAA CC[C@@H]1CCc2c(sc3nc(-c4cnn[nH]4)nc(O)c23)C1 1775985698 UWTNLGOYHBTMPG-SSDOTTSWSA-N 301.375 2.697 0 50 DFAA CC(C)(C)Nc1cccc(-c2nc(=O)c3c([nH]2)C(C)(C)OC3)n1 1776004033 LLLMRJBLVRVBFJ-UHFFFAOYSA-N 314.389 2.808 0 50 DFAA Cc1cc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1 105887 MJUNZFPXAQWQDU-UHFFFAOYSA-N 321.384 2.904 0 50 DFAA Cc1nc(NC(=O)[C@@H]2CCOc3c(F)cccc32)n(C)c1C 2325790179 WGXOSDBRNQJNGP-GFCCVEGCSA-N 303.337 2.681 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(OC)cc2)C1 240253 NSZDGCWLNXOVFB-INIZCTEOSA-N 304.434 2.776 0 50 DFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)C3CCC3)C2)c2cccc(=O)n21 2356143780 WPNLAOCLDZKWTF-XHSDSOJGSA-N 314.429 2.935 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(c3ncc(C(=O)O)cc3Cl)C[C@H]21 2356161852 MPDYRICECXSZOQ-IETSOEAISA-N 324.808 2.811 0 50 DFAA O=C(NCc1ccco1)C(=O)Nc1cc(Cl)ccc1Cl 4840396 ILLBRHWMCLVIAG-UHFFFAOYSA-N 313.140 2.841 0 50 DFAA CCn1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cn1 6706544 VUQJPKKEZGMZBJ-UHFFFAOYSA-N 319.308 2.723 0 50 DFAA Cc1cccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 6728576 AYIMQLBWFFQVGK-UHFFFAOYSA-N 308.337 2.901 0 50 DFAA CC(C)(C)SCCNC(=O)c1ccc(N2CCOCC2)cc1 7505045 WDQFBYJXQCEMJQ-UHFFFAOYSA-N 322.474 2.785 0 50 DFAA CC(=O)N1CCC(NCc2sccc2Br)CC1 112838374 RKOXFHSMDDYUCL-UHFFFAOYSA-N 317.252 2.611 0 50 DFAA CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 9230802 ANTKEBIRBMVVEZ-KGLIPLIRSA-N 318.373 2.865 0 50 DFAA CCCOc1ccccc1CCc1nc2c([nH]1)CCCNC2=O 65420242 SLUFGXUWOSSJOA-UHFFFAOYSA-N 313.401 2.660 0 50 DFAA CCCn1cc(CNC[C@@H](c2cccc(F)c2)N(C)C)cn1 116911975 FVRXIJDWNXIQMW-KRWDZBQOSA-N 304.413 2.825 0 50 DFAA Cc1nsc(NC(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1 55074186 LWRFNILOZRGKLP-NSHDSACASA-N 317.418 2.589 0 50 DFAA CCN(C(=O)CN1C(=O)COc2ccc(C)cc21)c1ccccc1 10682566 FUNAYHNCNRQTRE-UHFFFAOYSA-N 324.380 2.774 0 50 DFAA C[C@@H]1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H](C)O1 248496967 JRPBVLMWYGJZQI-RRIFGTCXSA-N 319.445 2.551 0 50 DFAA CCc1cccnc1C(=O)N(CC(=O)OC)c1cccc(F)c1 346708975 WQBWHPFYPLQTLQ-UHFFFAOYSA-N 316.332 2.603 0 50 DFAA Cc1ccc(CN2CC[C@@H](CNC(=O)NC(C)C)C2)c(C)c1F 67818588 QPXHEMQXUPKIQF-HNNXBMFYSA-N 321.440 2.972 0 50 DFAA CCCn1c(CNC[C@H]2CCCN(C)C2)nc2ccccc21 121204180 XVKTUDLZSFDRCY-OAHLLOKOSA-N 300.450 2.878 0 50 DFAA Cc1nc(CNC(=O)[C@@H](C)c2ccccc2)sc1C(=O)O 235432832 AHVBVHQDZXTWDS-VIFPVBQESA-N 304.371 2.570 0 50 DFAA c1cc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)n[nH]1 435430142 YQBVMWRLBXKSBU-OAHLLOKOSA-N 302.447 2.616 0 50 DFAA COCC[C@H](CO)NC(=O)Nc1ccccc1-c1cccs1 253427591 NGMNLYGHBQXJDB-GFCCVEGCSA-N 320.414 2.934 0 50 DFAA Cc1noc([C@@H]2CCN(c3ncc(C(F)(F)F)s3)C2)n1 333682141 LLNOPHIBMQSSSN-SSDOTTSWSA-N 304.297 2.847 0 50 DFAA O=C(O)c1cccc(CC2CCN(c3ncc(F)cn3)CC2)c1 72149799 WXFINFDNXWALFC-UHFFFAOYSA-N 315.348 2.773 0 50 DFAA CC1(C)C[C@](CCNC(=O)C2(N)CC2)(c2ccccc2)CCO1 71388692 CZVJOLXLRMCLPA-GOSISDBHSA-N 316.445 2.511 0 50 DFAA Cc1nc(CN(Cc2scnc2C)C[C@H]2CCNC2)cs1 262075724 DFGFMIKTNXGLQV-ZDUSSCGKSA-N 322.503 2.828 0 50 DFAA CNC(=O)c1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 378397817 QXVCXNXNGNTIBG-IRXDYDNUSA-N 316.445 2.685 0 50 DFAA CNc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cn1 285590363 JFLQYOMXWBEDQB-JTQLQIEISA-N 301.321 2.690 0 50 DFAA COCC[C@H]1CCCCN(C(=O)c2ncnc3ccsc23)C1 613577375 QGMJFOWVTNIUKG-GFCCVEGCSA-N 319.430 2.970 0 50 DFAA CC(C)N(C[C@@H](O)COc1ccccc1-c1cn[nH]c1)C(C)C 426361277 LUAXKZZNGDYFDW-MRXNPFEDSA-N 317.433 2.935 0 50 DFAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1COC2(CCCCC2)C1 220602059 FCQQCCGMTNORJU-AWEZNQCLSA-N 317.385 2.566 0 50 DFAA CCn1ncnc1[C@H](NC(=O)c1cn(C)c2ccccc12)C1CC1 222278290 FVUVLDNHSWGOPU-MRXNPFEDSA-N 323.400 2.671 0 50 DFAA Cc1cccc(NC(=O)N2CCN(Cc3cccnc3)CC2)c1 20408277 ZMDVQNZFRUVOMO-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA CSCCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95361259 XQOYLUUTGMFJGQ-CQSZACIVSA-N 307.415 2.844 0 50 DFAA CCc1nnc(CNC(=O)c2ccc3cccc(F)c3n2)s1 92021413 UYHXUAUQZNLDCI-UHFFFAOYSA-N 316.361 2.718 0 50 DFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1 91690484 NEWPXOBKAGQYDQ-HNNXBMFYSA-N 313.401 2.931 0 50 DFAA O=C(C[C@H]1CCNC1)NCCSCc1cccc(Cl)c1 97815521 DMGNIEADHOPMOU-GFCCVEGCSA-N 312.866 2.689 0 50 DFAA CC(C)c1nc(CN2CCCC[C@@H]2CCn2cccn2)no1 244887866 YPUHACVRNAPENT-CQSZACIVSA-N 303.410 2.834 0 50 DFAA CCC1=NO[C@@H](CN(Cc2ccc(O)c(OC)c2)C2CC2)C1 240163638 JCXZNEWNQVKFMB-OAHLLOKOSA-N 304.390 2.920 0 50 DFAA Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@H](O)CC1 296987483 YEMCZYNDFWNVJM-HNNXBMFYSA-N 314.389 2.559 0 50 DFAA C[C@H]1CCCCN1C(=O)COc1ccccc1-c1nnco1 183014590 AHESSJRHJDXKMW-LBPRGKRZSA-N 301.346 2.516 0 50 DFAA O=C(O)c1coc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 183815562 QETJXFGEEZKSIO-UHFFFAOYSA-N 305.252 2.782 0 50 DFAA COc1ccc2oc(CN[C@@H](C)CCn3cccn3)nc2c1 534575261 YCQMSEOMUAOHLY-LBPRGKRZSA-N 300.362 2.601 0 50 DFAA Cc1ccc(-n2ncnc2CCn2c(C)cccc2=O)c(C)c1 825158484 ZWWSBHCEPUXESS-UHFFFAOYSA-N 308.385 2.597 0 50 DFAA C[C@@H](NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)C1=CCCCC1 820723332 BLOZMFMSVDDIKK-CYBMUJFWSA-N 311.385 2.784 0 50 DFAA O=S(=O)(C[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1 585136415 FGIZWEXUJLYBJI-MRVPVSSYSA-N 323.119 2.690 0 50 DFAA Cc1nccn1C[C@@H]1CCCN(C2CSCCSC2)C1 670462577 ZPHDSUXUDZOXKX-AWEZNQCLSA-N 311.520 2.752 0 50 DFAA CCc1[nH]nc2c1CN(CCC(=O)NC1CCCCCC1)CC2 670472793 XMTASGJKCCZYIV-UHFFFAOYSA-N 318.465 2.559 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)C1 132991848 PQMLIDZODJWWTL-SNVBAGLBSA-N 317.216 2.826 0 50 DFAA Cc1c(CC(=O)N2CCCC3(CC3)C2)nnn1-c1ccccc1 274627015 RKPBXRGRESOPJM-UHFFFAOYSA-N 310.401 2.521 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cccc3[nH]ccc23)cn1 275669481 VMMIMGSNPQJCPR-ZWKOTPCHSA-N 310.401 2.911 0 50 DFAA CCCc1cc(=O)n2nc(N3CCC[C@H](C)CC3)sc2n1 169968045 MPCOVQDSQXYEMY-NSHDSACASA-N 306.435 2.730 0 50 DFAA Cc1occc1C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 186585684 MKSCADNBWKNAEO-INIZCTEOSA-N 313.401 2.768 0 50 DFAA CC(C)Cn1ncnc1CSc1nc(O)cc(C2CC2)n1 170614900 KONWVFHOTIXTOT-UHFFFAOYSA-N 305.407 2.599 0 50 DFAA COc1ccccc1-n1cnnc1SCC[C@@H]1CCCO1 170604819 JEPKTEPEASYXPY-LBPRGKRZSA-N 305.403 2.937 0 50 DFAA Cc1cnccc1CC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C 187472753 JSNXOZVPKZOGDM-MAUKXSAKSA-N 310.397 2.921 0 50 DFAA Nc1cc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccn1 193442036 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GYDPMJWLFQTLTM-JSGCOSHPSA-N 312.335 2.920 0 50 DFAA CCOC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 35884068 ABLDHSRUDYDZRF-UHFFFAOYSA-N 317.216 2.679 0 50 DFAA CC(C)c1cc(N(C)CC2(CO)CCCC2)n2nccc2n1 72411972 DJZPRVAXZDKRRB-UHFFFAOYSA-N 302.422 2.842 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1F 127699290 OXAWATFXAJPUNL-VIFPVBQESA-N 304.287 2.669 0 50 DFAA Cn1c(SCc2ccccc2Cl)nc2c(=O)[nH]cnc21 12427875 CVTKOXCKAZRIDC-UHFFFAOYSA-N 306.778 2.602 0 50 DFAA biogenic,in-vitro CCN1CCC[C@@H](NC(=O)c2sc(C)cc2OC(F)F)C1 172172886 OWJKZUOQNSIKRX-SNVBAGLBSA-N 318.389 2.872 0 50 DFAA Cc1nn(C)c2ncnc(NCc3cc(-c4ccccc4)n[nH]3)c12 72473692 NDBGRQXOGQWRNR-UHFFFAOYSA-N 319.372 2.674 0 50 DFAA Cc1nc([C@@H](C)N(C)C(=O)c2[nH]nc(N)c2Cl)c(C)s1 215388560 RBBDWFJJYLYWHX-RXMQYKEDSA-N 313.814 2.552 0 50 DFAA O=C1C[C@@H](C(=O)Nc2ccccc2O)c2ccc(F)cc2N1 368680237 KISGZOKZBIYSKO-LLVKDONJSA-N 300.289 2.596 0 50 DFAA CC(C)COc1ccc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 236668519 HBNHPMOSAZNRMV-GOSISDBHSA-N 319.401 2.587 0 50 DFAA Cn1cnnc1[C@@H]1CCCN1Cc1cc(F)cc2cccnc12 156776937 TZURMDRWCGEOBY-HNNXBMFYSA-N 311.364 2.840 0 50 DFAA Cc1[nH]ccc1C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 370340306 KKAGZNRRTMHLGR-QGZVFWFLSA-N 318.804 2.796 0 50 DFAA Cc1cc(Cl)cc(C(=O)NCc2nnc3n2CCCCC3)c1 126494370 AOIFSQVSABNDSV-UHFFFAOYSA-N 318.808 2.896 0 50 DFAA COCCNc1cc(-c2ccc3[nH]cnc3n2)c2cc[nH]c2n1 72156780 CRRXYWFVPARNFE-UHFFFAOYSA-N 308.345 2.560 0 50 DFAA CC(C)N1C[C@H](CO)C(c2ccccc2)(c2ccccc2)C1=O 39348429 KMDKDQXWHWLFKP-GOSISDBHSA-N 309.409 2.832 0 50 DFAA Cc1nn(CC(=O)N[C@H]2CCCc3occc32)c(C)c1Cl 129306237 NRWMBOPGKZMDGI-LBPRGKRZSA-N 307.781 2.940 0 50 DFAA C[C@@H]1CN(CC(F)(F)F)CCN(c2ccnc3ccncc23)C1 450871333 NAKGICWUGJPRQE-GFCCVEGCSA-N 324.350 2.950 0 50 DFAA Cc1ccc(N2CCOCC2)cc1NC(=O)NCC(F)(F)F 240412631 FNMGQFNJPOEWGQ-UHFFFAOYSA-N 317.311 2.515 0 50 DFAA CC1=NO[C@@](C)(C(=O)N(C)Cc2nc3ccccc3s2)C1 220516957 YOHVCUKXOMHKHC-OAHLLOKOSA-N 303.387 2.810 0 50 DFAA COc1cccc(-c2ccc(C(=O)N[C@H]3CC[C@@H](N)C3)cc2)c1 426563255 QEWZLFRUWMBLAL-SJORKVTESA-N 310.397 2.972 0 50 DFAA CC(C)CC[C@@H](C)NC(=O)N1CCN(c2cccnc2)CC1 426436719 QPIWBZHRROQUIS-OAHLLOKOSA-N 304.438 2.738 0 50 DFAA Cc1cc(Cl)ccc1C(=O)NCCCCCN1CCOCC1 220071282 DNZCRHZJGNZGNI-UHFFFAOYSA-N 324.852 2.881 0 50 DFAA COCc1ccc([C@H]2CCCN2c2nccn(C3CC3)c2=O)o1 161695038 MDCSZIMAOCQOCM-CQSZACIVSA-N 315.373 2.659 0 50 DFAA Cc1cc(C)c2[nH]c(CNCc3cnc(C)cn3)cc(=O)c2c1 91624848 HGOGOPVIIQPEHU-UHFFFAOYSA-N 308.385 2.533 0 50 DFAA CC(C)CCN1C[C@@]2(CCCN(C(=O)NC(C)C)C2)CCC1=O 91951106 SNZTWONBFRTJAQ-GOSISDBHSA-N 323.481 2.855 0 50 DFAA COc1cc(Cl)c(CN2CC[C@](C)(O)[C@H](C)C2)c(OC)c1 91745320 FNELBNAVECLMMI-BZNIZROVSA-N 313.825 2.950 0 50 DFAA CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1nc(C)c(C)s1 92028395 LRNVQAKOHQHSTQ-LBPRGKRZSA-N 319.430 2.946 0 50 DFAA COc1cc2nccc(N3CCC(OC)CC3)c2cc1OC 298301441 QNOYJWHHAVXZHH-UHFFFAOYSA-N 302.374 2.867 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](O)C2=O 253596377 QQIVKFZWLZJXJT-GPAPMVRLSA-N 304.430 2.850 0 50 DFAA O=C(Cc1cccs1)NCCc1nnc(C(F)(F)F)s1 252488514 ITYINZZOVSERPB-UHFFFAOYSA-N 321.349 2.520 0 50 DFAA COc1ccc(CCCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 299745229 WWIYKFOIINWQKG-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA CCC(=O)N1CC[C@@H](Nc2ncnc3cc(Cl)ccc23)C1 268532055 INAABHWKJWOFDI-LLVKDONJSA-N 304.781 2.706 0 50 DFAA CCN(CC)c1cc(-c2c(OC)cc(C)cc2OC)nc(N)n1 534674581 YMFASGKBGLHAMS-UHFFFAOYSA-N 316.405 2.898 0 50 DFAA O=C(CCc1cn[nH]c1)N(Cc1ccccc1)C[C@H]1CCCO1 629975467 QRISWQXCPWEAEH-QGZVFWFLSA-N 313.401 2.550 0 50 DFAA Cc1cccc(C)c1N[C@H](C)C(=O)NCc1cncn1C1CC1 584893830 SYTJPFAMVPWEBU-CQSZACIVSA-N 312.417 2.952 0 50 DFAA O=C(C[C@@H]1CCCOC1)NCC1(N2CCCCC2)CCCC1 584889025 RXOJSTONQMVYEM-INIZCTEOSA-N 308.466 2.718 0 50 DFAA O=C(c1ccc([C@@H]2CCCO2)s1)N1CCc2nocc2C1 670438454 KQTJAKJJJMZRJM-LBPRGKRZSA-N 304.371 2.786 0 50 DFAA O=C(NCCC1CC1)N1CCc2c(ncn2-c2ccccc2)C1 272311114 AKSKDQUGAWYTJE-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA O=C(Nc1ccc(N2CCOC2=O)cc1)[C@@H](O)C1CCCCC1 187409989 MGTDYKWDSZZJJY-HNNXBMFYSA-N 318.373 2.523 0 50 DFAA Cc1ccc(C[C@@H](C)NC(=O)c2ccnc(C(=O)O)c2)s1 168937923 MBTLWZBRMZPPBO-SECBINFHSA-N 304.371 2.511 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2F)c1 170672185 GKPSPKSCTHUJDN-GJZGRUSLSA-N 313.328 2.944 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccon2)[C@@H](C)CO1 669230096 VZENHPAMLCQZNP-YOEHRIQHSA-N 314.385 2.904 0 50 DFAA C[C@@H](CO)C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)CC1 585090608 ZCXLYOLTJFOZJQ-QMMMGPOBSA-N 319.298 2.724 0 50 DFAA COc1cccc(S(=O)(=O)N[C@@H]2CCc3cc(C)ccc32)c1 684570989 BVDIWIXYXPNWFC-QGZVFWFLSA-N 317.410 2.969 0 50 DFAA CCn1c(SCCOCC(F)F)nc2ccsc2c1=O 225439934 VUFNWDVNRIJSLM-UHFFFAOYSA-N 320.386 2.852 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCc1cn[nH]c1)C2 1704297642 CIZBXKGTQBFDRC-NVXWUHKLSA-N 305.422 2.540 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(-c2cccnc2)cc1 1772816225 IYIACSRNLUCGLU-DNVCBOLYSA-N 321.424 2.944 0 50 DFAA COc1ccc(C(=O)CSC(=S)N2CCCC2)c(O)c1 5526739 FSVVFYJOJFXONO-UHFFFAOYSA-N 311.428 2.697 0 50 DFAA CC(C)Nc1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 11879964 LVVXHTHSXSPDLC-HNNXBMFYSA-N 304.438 2.506 0 50 DFAA COc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]c(C)n2)C1 19224780 IUGMDVOCKCFROA-AWEZNQCLSA-N 313.401 2.822 0 50 DFAA Cc1cc2[nH]ncc2cc1NS(=O)(=O)Cc1cccc(F)c1 241213378 KOJOHJPXEALMDV-UHFFFAOYSA-N 319.361 2.952 0 50 DFAA O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)[C@@]1(O)CCOC1 333937258 LKLFQLBBJAATPG-FRFSOERESA-N 323.820 2.634 0 50 DFAA Cn1cncc1CNCC1(c2ccc(Cl)cc2)CCOCC1 237924372 AGOASLZYROCOBF-UHFFFAOYSA-N 319.836 2.912 0 50 DFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(c2ncccn2)C1 343556738 OMBNJSKIKUEQHR-SNVBAGLBSA-N 311.311 2.613 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 133011911 GXVVDIMMSQZINF-GFCCVEGCSA-N 302.349 2.910 0 50 DFAA FC(F)Oc1ccc([C@H]2CN(CCn3ccnc3)CCO2)cc1 253421007 VBXOBLNFKAJEAU-OAHLLOKOSA-N 323.343 2.558 0 50 DFAA CC(C)c1cc(C(=O)Nc2ccc(CC(=O)O)c(F)c2)n[nH]1 263082108 BKNMLAVTACOEJA-UHFFFAOYSA-N 305.309 2.552 0 50 DFAA c1ccc(-n2c(SCCC3OCCO3)nnc2C2CC2)cc1 163520676 QRSKSLVVIZLGRS-UHFFFAOYSA-N 317.414 3.000 0 50 DFAA CON1CCC(C(=O)Nc2c(C)nc3ccc(Cl)cn23)CC1 912537845 QAYJQGSNPPXKOW-UHFFFAOYSA-N 322.796 2.508 0 50 DFAA Cc1nn(-c2ccccc2)cc1NC(=O)CCSCCCN 1263116089 MZOXILDDZAMWFA-UHFFFAOYSA-N 318.446 2.591 0 50 DFAA C[C@@]1(Br)C[C@@H]1C(=O)NCCc1noc2ccccc12 862155829 XOWVEMYNDQFRGG-QMTHXVAHSA-N 323.190 2.660 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(C)CCCC[C@H]2O)[nH]1 1875255424 ZLEUXFPCIYHFDK-SJLPKXTDSA-N 312.417 2.622 0 50 DFAA NCc1cccc2ccc(C(=O)N3CC[C@@H](c4cc[nH]n4)C3)cc12 2325796122 UTRFIAOXZHCHLB-MRXNPFEDSA-N 320.396 2.651 0 50 DFAA COc1ccccc1N1CCN(C(=O)c2ccccc2C)CC1 47036 UCXGNSDGPGYDJP-UHFFFAOYSA-N 310.397 2.966 0 50 DFAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOCC1 79408 XDEASPYOGAGVEP-UHFFFAOYSA-N 306.749 2.776 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 180228 GOTOEVGTYQIPLB-UHFFFAOYSA-N 308.334 2.585 0 50 DFAA Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1C 387040 OQRBCYNXDNHDPA-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccccc2)n1 411459 IECZJIGKGWTJHJ-UHFFFAOYSA-N 307.357 2.596 0 50 DFAA CC(C)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 475021 CQHOESIGFZGDLI-UHFFFAOYSA-N 318.398 2.710 0 50 DFAA NC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 1049070 XSNVYLYAGVOTRQ-UHFFFAOYSA-N 306.724 2.759 0 50 DFAA CC(=O)Nc1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1Cl 100749252 CVBAGEDAMLJDDH-TXEJJXNPSA-N 318.760 2.754 0 50 DFAA Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)n1 8217201 MVCBCNHAZJHPRE-GFCCVEGCSA-N 315.398 2.752 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc2c1OCCO2 248611607 XOFHIPOYWKVBAU-QEJZJMRPSA-N 317.385 2.676 0 50 DFAA Cc1ccn2ncc(C(=O)Nc3cnn(CC(F)(F)F)c3)c2c1 347188512 QAPABWWSEONKOI-UHFFFAOYSA-N 323.278 2.654 0 50 DFAA O=C(c1ccncc1Cl)N1CC[C@H](c2nc(C3CC3)no2)C1 347412642 PZIKOBZCZPLAQG-JTQLQIEISA-N 318.764 2.625 0 50 DFAA CON1CCC(N[C@H](C)c2ccc(OC(F)F)cc2)CC1 421205137 GRWGHDJQZIHQEM-LLVKDONJSA-N 300.349 2.964 0 50 DFAA CCCN1CCN([C@H](C)Cc2cccc(OC)c2)CCC1=O 20999111 VWMRKLUBNIOVAJ-OAHLLOKOSA-N 304.434 2.571 0 50 DFAA Cc1ccc(F)cc1NC(=O)[C@H](C)NC(=O)c1cccs1 20400176 YOXNWVDSIXPXSD-JTQLQIEISA-N 306.362 2.953 0 50 DFAA C[C@@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCCCC2 67851304 MPZRSJXMLQDYII-ZDUSSCGKSA-N 318.465 2.558 0 50 DFAA CN(C(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 20727447 HZMCLCOWOFDARZ-UHFFFAOYSA-N 310.397 2.795 0 50 DFAA CCO[C@@H](C)c1nc(Cn2c(C)nn(C(C)C)c2=O)cs1 351778537 UNAAMGPJYDBZFM-JTQLQIEISA-N 310.423 2.536 0 50 DFAA COc1ccc(F)c(-c2nc(CN3CCN[C@H](C)C3)c(C)o2)c1 67956049 HSPSPIXIEAPNNY-LLVKDONJSA-N 319.380 2.591 0 50 DFAA CN(CC1CC1)C[C@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 252679843 SAUATPDFVASHBD-IAGOWNOFSA-N 308.466 2.526 0 50 DFAA C=CC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 328599977 VDYRQFUVTPYASO-KBPBESRZSA-N 307.340 2.578 0 50 DFAA NCc1cc(NCCC(=O)Nc2cccc3ccccc23)ncn1 71279035 BMFOLYMLSWELDM-UHFFFAOYSA-N 321.384 2.529 0 50 DFAA CC(C)C[C@@]1(CO)CCCN1Cc1cccc(C(=O)N(C)C)c1 240626788 HJCXJJPMIHHXEV-LJQANCHMSA-N 318.461 2.761 0 50 DFAA C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C[C@H](C)N1 153977046 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c1ncn(-c2ccc(CN[C@@H]3CCCC34CCOCC4)cc2)n1 282810921 XXLOWFXRVJLXOI-QGZVFWFLSA-N 312.417 2.706 0 50 DFAA Cc1ccnc(NC[C@@H]2CCN(Cc3cccc4nccn34)C2)c1 376832613 OBUQFPZEPJIWNO-INIZCTEOSA-N 321.428 2.972 0 50 DFAA O=C(O)[C@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 238081664 LJVNURCCTIOZBM-LBPRGKRZSA-N 304.321 2.777 0 50 DFAA CSc1nccc(N2CC[C@@]3(CCCN(CC4CC4)C3)C2)n1 72173907 LTOSUICIYXWBIV-QGZVFWFLSA-N 318.490 2.901 0 50 DFAA CCc1cc(NCCc2cn3ccsc3n2)n2nccc2n1 72476313 SUMDNVARQVVEEU-UHFFFAOYSA-N 312.402 2.656 0 50 DFAA CC(C)n1ccc(C(=O)Nc2cccc([C@H](C)C(=O)O)c2)n1 263329489 POFUOWBDGWWMCZ-NSHDSACASA-N 301.346 2.904 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)[C@]2(C)CCCOC2)cc1)C(=O)O 263536140 OQOBGLYHHAREEY-YVEFUNNKSA-N 305.374 2.705 0 50 DFAA Cc1ccnc(SCC(=O)N2CCC[C@@H]2c2nccs2)n1 220646470 CFGAWBVBUMWCKV-LLVKDONJSA-N 320.443 2.697 0 50 DFAA CCn1cc(CN(CC(C)C)C(=O)[C@@H](C)n2ccnc2C)cn1 426477143 BICXWMBMEXPQJB-CQSZACIVSA-N 317.437 2.654 0 50 DFAA O=C(c1ccc(-c2ncccc2O)cc1)N1CCC2(CCO2)CC1 426410720 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324.384 2.786 0 50 DFAA C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccnc(OC(F)F)c1 894692162 PCGSRZHQATVHPI-ZYHUDNBSSA-N 311.332 2.837 0 50 DFAA Cc1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)oc1C 11707294 MICAFCBPOFGRAA-QZTJIDSGSA-N 306.450 2.708 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 255757 VBJKAIDMUUDGFV-ZDUSSCGKSA-N 322.364 2.927 0 50 DFAA CCCc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1 390788 FKSBSBXZEHHVNG-UHFFFAOYSA-N 305.403 2.847 0 50 DFAA Cc1ccccc1CN(CCN(C)C)Cc1ccc(CO)o1 55369110 SQFLRHSOCKIWLO-UHFFFAOYSA-N 302.418 2.644 0 50 DFAA CSc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100796842 SADRDJJOMWZIJH-ZNIXKSQXSA-N 303.383 2.870 0 50 DFAA COCCOc1ccccc1C(=O)Nc1ccccc1OC 8722980 JXBZQRPUCDYIPP-UHFFFAOYSA-N 301.342 2.973 0 50 DFAA CNC(=O)COc1ccc(Nc2nnc(C)c3ccccc23)cc1 9046692 WRFRRMFUESKLBM-UHFFFAOYSA-N 322.368 2.807 0 50 DFAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cnn2ccn(C)c12 67688611 FCNWWUWENAJOPO-GFCCVEGCSA-N 321.384 2.987 0 50 DFAA CC(C)c1nccc([C@@H]2CC(=O)Nc3cc4[nH]ncc4cc32)n1 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CN([C@@H]1CCCc2cccnc21)S(=O)(=O)c1cccs1 253431883 VELXBXGPYJJZTE-GFCCVEGCSA-N 308.428 2.841 0 50 DFAA COc1ccc([C@@]2(C(=O)N3CCSCC3)CC2(C)C)cc1 215024034 RFIGCQUIXINSOS-QGZVFWFLSA-N 305.443 2.938 0 50 DFAA Cc1cnn(CCNC(=O)c2c(C)noc2-c2ccccc2)c1 132010359 ZMXYHEPHDXEFKA-UHFFFAOYSA-N 310.357 2.585 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)CCO1 153929616 QIIGIYDVJVYYGG-JTQLQIEISA-N 302.296 2.788 0 50 DFAA Cc1ccc(NC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1F 363305435 BQCLOPRHTTXRHS-CYBMUJFWSA-N 316.380 2.964 0 50 DFAA COc1ccc([C@@H]2CCN(CC(=O)Nc3nccs3)C2)cc1 155242224 MXTIIJFRZIWGDZ-CYBMUJFWSA-N 317.414 2.580 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1noc2c1CCCCC2 156348916 GLSNZICHQKWKDU-UHFFFAOYSA-N 323.356 2.981 0 50 DFAA O=C(CC[C@H]1CCNC1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 261769175 IPMPQKYUOLZJGH-JTQLQIEISA-N 320.343 2.683 0 50 DFAA Cc1coc2ccc(NC(=O)N(CCOCCO)C(C)C)cc12 282615715 JACWCGSERXDZMA-UHFFFAOYSA-N 320.389 2.992 0 50 DFAA CC(C)SCC(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 77454319 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324.837 2.854 0 50 DFAA COc1ccc(C(=O)NCCC(=O)N2CCCCCC2)c(C)c1 266054377 BDXZCOBTAJMHBA-UHFFFAOYSA-N 318.417 2.526 0 50 DFAA O=C(CCC1CCCCC1)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910619601 VULLEQXJBCEIBJ-SWKXRBFHSA-N 323.433 2.876 0 50 DFAA C[C@H](CC1CCC1)NC(=O)N1CCC(c2ccn(C)n2)CC1 1875276735 WDKUMHPFWDRIOX-CYBMUJFWSA-N 304.438 2.888 0 50 DFAA CC(=O)N(C)c1cccc(NC(=O)c2cnc3sccn23)c1 1875330558 SZDZNANNQJUKIH-UHFFFAOYSA-N 314.370 2.631 0 50 DFAA Cc1c(-c2nnc([C@H]3CCCOC3)o2)cnn1-c1ccncc1 886071848 BUFRZXKDQAYPNX-LBPRGKRZSA-N 311.345 2.520 0 50 DFAA O=C(OCC1CS(=O)(=O)C1)C1CCC(c2ccccc2)CC1 888099488 MTNAGXZTHWWWAR-UHFFFAOYSA-N 322.426 2.548 0 50 DFAA O=C(Nc1nc(-c2cccnc2Cl)ns1)C1CCOCC1 892155321 COVGUJJMXJTLCO-UHFFFAOYSA-N 324.793 2.619 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC[C@H]2CCOC2)C12CCC2 405204145 CIUQCHWFGFHNPH-RRFJBIMHSA-N 324.465 2.839 0 50 DFAA COCCN1C(=O)[C@]2(CCN(CC=C(C)C)C2)c2ccccc21 2100534280 ATRSMERDTXONDX-IBGZPJMESA-N 314.429 2.589 0 50 DFAA 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O=C(O)[C@H]1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1 8732559 YTGBPTAQSRHFOK-INIZCTEOSA-N 309.365 2.752 0 50 DFAA CC[C@@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)CCc1ccccc1OC 1074549694 PTPCFGXRVDOOEZ-JFTQMJAMSA-N 303.402 2.558 0 50 DFAA Cc1ccn(Cc2nc([C@@H]3CCOc4ccccc43)no2)c(=O)c1 350060485 KNBQVXLPURMFRC-CQSZACIVSA-N 323.352 2.502 0 50 DFAA CC(C)CN(CC(C)(C)C)C(=O)CC1(CS(C)(=O)=O)CC1 125046370 TVGILQJSOPTNLJ-UHFFFAOYSA-N 317.495 2.732 0 50 DFAA Cc1ccc(C(=O)O)cc1NC(=O)c1ccc([S@](C)=O)cc1 120248747 OEMCNOFQAOBIFW-JOCHJYFZSA-N 317.366 2.683 0 50 DFAA CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C2CC2)cc1 252493140 MZYNTEUCDMKPMF-QGZVFWFLSA-N 314.429 2.827 0 50 DFAA CC(=O)NC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 67654771 RXAKZYLJUJIWDG-GFCCVEGCSA-N 301.217 2.951 0 50 DFAA Cc1n[nH]c(C)c1CCNc1nccc(CCC(F)(F)F)n1 71748682 UPXIESBSHVXNPU-UHFFFAOYSA-N 313.327 2.966 0 50 DFAA CC(C)(C)[C@H]1OCC[C@@H]1CNC1CCC2(CC1)N=C(O)N=C2O 328625026 KHCDRUWYJPEHTB-QGXCKBJSSA-N 323.437 2.593 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCCN(c2ccccc2)CC1 123037362 VDNLNQDFXQJCQE-UHFFFAOYSA-N 314.364 2.965 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)O)cc1C 35306490 VPPNBUNUYFFNOR-UHFFFAOYSA-N 311.384 2.864 0 50 DFAA CCCN(CCN1CCCCCC1)C(=O)c1ccc(O)nc1C 356651085 SIIMKFYVIFYWLH-UHFFFAOYSA-N 319.449 2.824 0 50 DFAA C[C@H](O)CN(C)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 153585105 MMYMTDGCRCVOQW-GZMMTYOYSA-N 324.730 2.966 0 50 DFAA Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1C1CCOCC1 329382057 QPLVMEKBWANFOC-MRXNPFEDSA-N 306.406 2.642 0 50 DFAA CC1(c2ccccc2)CCN(C(=O)N[C@@H]2CC[C@@H](CN)C2)CC1 332133439 KMZDEHDPNZLSOT-NVXWUHKLSA-N 315.461 2.877 0 50 DFAA O=C(NCCn1ccnc1)N1CCC[C@@H]1c1ccc(F)c(F)c1 363528561 CEWDQEGZUQAZAM-OAHLLOKOSA-N 320.343 2.708 0 50 DFAA CN1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 72833839 GIBSDESLMMUQQU-KRWDZBQOSA-N 316.445 2.536 0 50 DFAA CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cn1 448559109 XLIIQNWMTIOWIJ-UHFFFAOYSA-N 311.385 2.996 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](N)C2)[C@@H](C)CO1 237706835 FQYCKMKLQHHQMH-LHHMISFZSA-N 316.445 2.801 0 50 DFAA COC(=O)CCN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72158768 HJYMXJYIHKVIJC-CQSZACIVSA-N 305.353 2.792 0 50 DFAA CN(C)CCCNC(=O)Nc1ccccc1Br 13746060 ZOCMJAJYNKSVHW-UHFFFAOYSA-N 300.200 2.522 0 50 DFAA CN1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1=O 240626824 HJGUTWKVACVMSJ-ULQDDVLXSA-N 314.429 2.697 0 50 DFAA COc1cc([C@H](C)NC(=O)N[C@H](C)[C@H]2CCCO2)ccc1F 240744045 HUDRHILGYQXUDX-MISXGVKJSA-N 310.369 2.762 0 50 DFAA C[C@H](c1ccc(-c2csc(C(N)=O)c2)cc1)N1CCOCC1 426734278 JRIAHWPRFRXLQQ-GFCCVEGCSA-N 316.426 2.907 0 50 DFAA c1ccc2c(c1)C[C@H](CN1CCC3(CCNCC3)C1)CCO2 95519747 YKMHAPJCIKWKRX-MRXNPFEDSA-N 300.446 2.703 0 50 DFAA Cc1cc(C)c2c(C(=O)N[C@H]3C[C@@H](C(=O)O)C3)cc(C)nc2c1 426380131 QNVKTUQEBLCXEB-BETUJISGSA-N 312.369 2.753 0 50 DFAA OC[C@H]1CN(CCc2ccccc2)C[C@H]1CN1CCCCCC1 91468859 XGEHPLIRLIBBOQ-WOJBJXKFSA-N 316.489 2.645 0 50 DFAA COCCN1C[C@]2(CCCN(CCC=C(C)C)C2)CCC1=O 91254622 ZUPIBRCZOIMSOU-GOSISDBHSA-N 308.466 2.694 0 50 DFAA O=C1NCCCc2[nH]c(-c3cnc(-c4ccccc4)s3)nc21 95358394 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2.983 0 50 DFAA O=C(NCc1csc(N2CCCC2)n1)Nc1ccc(F)nc1 299767210 PHWWCXSLRZMYOP-UHFFFAOYSA-N 321.381 2.599 0 50 DFAA COCC1(CNC(=O)Cc2c(C)nc3ccccn23)CCCC1 299758519 MCNUNBUOWSUULN-UHFFFAOYSA-N 315.417 2.508 0 50 DFAA COc1nc(C)cc(C)c1CNc1cc([C@H]2CCOC2)ncn1 299802665 VIZLHOSQCRHWCK-ZDUSSCGKSA-N 314.389 2.613 0 50 DFAA CCc1nc(-c2ccc(-n3cnnc3)cc2)n(CC(F)(F)F)n1 823550819 UMQPZCYKOBEMGC-UHFFFAOYSA-N 322.294 2.651 0 50 DFAA CN1C(=O)[C@@H]2CCC[C@H]1CN(c1nc3ccccc3s1)C2 670471188 ADBDWFJNAFYMJY-NEPJUHHUSA-N 301.415 2.743 0 50 DFAA O=C1CCCN1C[C@H]1CCCN(Cc2cnccc2Cl)C1 670464471 AILWUIGRKBVKKD-ZDUSSCGKSA-N 307.825 2.569 0 50 DFAA CCn1ccc(CN[C@H]2CCCN(Cc3cccs3)C2)n1 952869867 NTXVFHRGHLAHTL-HNNXBMFYSA-N 304.463 2.719 0 50 DFAA Cc1cccc(NC(=O)NCc2nc(-c3ccncc3)n[nH]2)c1C 952964839 QSOSKORTMGNZFI-UHFFFAOYSA-N 322.372 2.805 0 50 DFAA CCOC(=O)[C@H]1CCN(C(=O)Cc2cccnc2)c2ccccc21 408514301 RKBMHNBNQCOSIK-INIZCTEOSA-N 324.380 2.708 0 50 DFAA CC[C@@H](COC)NC(=O)Nc1nc(-c2ccccc2)ns1 169991598 YHTJLNFZIAAADP-NSHDSACASA-N 306.391 2.752 0 50 DFAA C[C@@H](Cc1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 170676056 GCRCTSALGDXIKR-WFASDCNBSA-N 317.410 2.739 0 50 DFAA FC(F)(F)c1ccn(CCNc2ncnc3c2CCCC3)n1 634803080 DRIIXCQUQHQQFH-UHFFFAOYSA-N 311.311 2.683 0 50 DFAA CN(C)c1nnc(S[C@@H]2CCc3ccccc3NC2=O)s1 187996519 QQYGAYCZSBZHGQ-LLVKDONJSA-N 320.443 2.650 0 50 DFAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1nc(C2CC2)nn1C 648317351 VRYFCHFUDNQSEB-BBRMVZONSA-N 324.428 2.640 0 50 DFAA CC(C)(F)C(=O)N1CCN(c2cncc3ccccc23)CC1 194292335 RPTAIHCFXHABJL-UHFFFAOYSA-N 301.365 2.632 0 50 DFAA Cc1nc(O)cc(-c2ccc(NC(=O)N3CC[C@H](F)C3)cc2)n1 652129838 IFNQCZNNTKCLSX-LBPRGKRZSA-N 316.336 2.733 0 50 DFAA C[C@@H](Cc1ccc(F)cc1)NCc1nc([C@@H]2CCCO2)n[nH]1 655797826 QSDODFWKZPNHFW-FZMZJTMJSA-N 304.369 2.516 0 50 DFAA CC[C@H](c1nc(-c2ccc(OC)cc2)no1)N1CCCC1=O 585133864 XZHIYXJYURDKAM-CYBMUJFWSA-N 301.346 2.819 0 50 DFAA CN1CCC2(CC1)CCN(CCC(=O)Nc1cccc(F)c1)C2 585116446 WJNGTPZTWFKIOM-UHFFFAOYSA-N 319.424 2.572 0 50 DFAA O=C(N[C@H]1CCCSC1)c1sncc1Br 1616185507 GEQVMHAAEYXABK-LURJTMIESA-N 307.238 2.531 0 50 DFAA CCc1c(C)noc1NC(=O)c1cnc(-c2cccnc2)nc1C 1506399829 QQTVHKDPBVLVOP-UHFFFAOYSA-N 323.356 2.958 0 50 DFAA CSCCN1CCC(N[C@@H](C)CN2CCCCCC2)CC1 1506420896 DKXMTBZIHPQDQL-INIZCTEOSA-N 313.555 2.668 0 50 DFAA O=C1CCC(=O)[C@H](C(=O)CCC(=O)Nc2ccc(Cl)cc2)C1 408491 XAJMFMHMAHICBS-CYBMUJFWSA-N 321.760 2.566 0 50 DFAA CCc1cccc(C)c1NS(=O)(=O)c1c(Cl)cnn1C 331140188 QWMLNVJUENKQIO-UHFFFAOYSA-N 313.810 2.745 0 50 DFAA Cc1cc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)ncn1 12000539 WDCSNVHAFIPQJW-JTQLQIEISA-N 308.432 2.978 0 50 DFAA O=C(CCC1CCCC1)N1CCN(Cc2ccccn2)CC1 19787753 IVSSVKVUGQFEAD-UHFFFAOYSA-N 301.434 2.696 0 50 DFAA CSCC[C@H](CO)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 155006130 VXEIVSMJQNGPJD-CYBMUJFWSA-N 306.431 2.629 0 50 DFAA Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2cccc(C)c2C)n1 1857667067 GWNMNLJDWIYRKX-CQSZACIVSA-N 308.389 2.514 0 50 DFAA Cn1cc(CCn2ccnc2-c2cnc(-c3ccco3)nc2)cn1 1857667249 WPPJPEVGGKTJBV-UHFFFAOYSA-N 320.356 2.576 0 50 DFAA CC[C@@H](C)Cc1nc(-c2cnc(C)cc2C)n(CCCO)n1 1857678758 AIEJOECWZYTRKS-GFCCVEGCSA-N 302.422 2.928 0 50 DFAA Oc1cc(C(F)(F)F)nc(SCCO[C@H]2CCCCO2)n1 408515821 DRBKPLXGSLVRFZ-JTQLQIEISA-N 324.324 2.836 0 50 DFAA O=C(Nc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@H]([C@H]1C(=O)O)[C@@H]1C[C@@H]21 230004006 FUUAOXCZTSOACV-WCBJTDJXSA-N 301.317 2.533 0 50 DFAA C[C@H]1CCN(C(=O)c2cc3nccnc3cc2F)[C@@H](C(=N)O)C1 332530968 RKQABKJKIKRHGU-LKFCYVNXSA-N 316.336 2.545 0 50 DFAA C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C1CCOCC1 132459374 AEQQNPAWJZWCOF-MAUKXSAKSA-N 316.445 2.582 0 50 DFAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)c1ccon1 247620803 TUDFMNPFIRLMEF-HALDLXJZSA-N 313.401 2.561 0 50 DFAA OC1CCN(c2nc(-c3ccccn3)nc3sccc23)CC1 858316461 UXNVASXLSLOWGX-UHFFFAOYSA-N 312.398 2.714 0 50 DFAA CC1(C)CN[C@@H]1C1CCN(CCC(=O)Nc2ccccc2)CC1 952877083 LNEVWBVRNYJWBF-GOSISDBHSA-N 315.461 2.725 0 50 DFAA COC[C@]1(CNc2nccn3nc(C(C)(C)C)cc23)CCCO1 1875272591 NRZOXBXGYMZLTM-QGZVFWFLSA-N 318.421 2.634 0 50 DFAA CC(C)CN=c1ccnc(N(C)Cc2ccccc2N(C)C)[nH]1 1875356566 QPPRTSAEPHMNQN-UHFFFAOYSA-N 313.449 2.669 0 50 DFAA CCCc1nc(C(=O)N2CCC[C@H](c3nnc(C)o3)[C@@H]2C)co1 886084709 BOCHQEVTJTUPPI-JQWIXIFHSA-N 318.377 2.727 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc3c(c2)CCC3)C1 888077712 QRERKJYHPHTBTK-HZPDHXFCSA-N 311.385 2.501 0 50 DFAA CC(C)c1ccccc1-c1nc([C@@H]2CCS(=O)(=O)C2)no1 896008899 HRJCUWYFQUZCIK-LLVKDONJSA-N 306.387 2.762 0 50 DFAA c1ccc([C@H](Cn2ccnc2)N[C@@H]2CCc3cnoc3C2)cc1 2325801885 ZJBYMWHVVONCLU-SJORKVTESA-N 308.385 2.760 0 50 DFAA Cc1nc2c(c(=NCc3ccc4nc(C)[nH]c4c3)[nH]1)CCCC2 2325860495 JTQAFNYOPSFYDM-UHFFFAOYSA-N 307.401 2.883 0 50 DFAA Cc1cc(C)n(-c2nc(C)nc3c2cnn3-c2ccccc2)n1 146262 SVVOJSDMHHIDDM-UHFFFAOYSA-N 304.357 2.926 0 50 DFAA O=C1OCN(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1 335150 JUKOCCGVSRMWMD-MRXNPFEDSA-N 311.337 2.751 0 50 DFAA CCOC(=O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1nccs1 611857 ISBBIWFOLQUSHR-NXEZZACHSA-N 314.794 2.794 0 50 DFAA C[C@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@@H](C)O1 758091 LDQTXXIPBVZWQI-CALCHBBNSA-N 302.462 2.803 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(F)c2)N1 408720 AZRREACPAUAYLH-HOTGVXAUSA-N 310.328 2.995 0 50 DFAA biogenic COC(=O)C(Cl)(Cl)[C@H](O)C(Cl)=C(Cl)Cl 3075310 MHAZKHHTVMCLTP-GSVOUGTGSA-N 302.368 2.580 0 50 DFAA CC(=O)Nc1cc(NC(=O)CN2CCC(C)CC2)ccc1C 10495542 GCXUQUGZQZZJCM-UHFFFAOYSA-N 303.406 2.624 0 50 DFAA CCCC(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1 345526049 RACBAANNYSZFFV-UHFFFAOYSA-N 314.267 2.746 0 50 DFAA Cc1nc(Cc2nc(CC3CCN(C)CC3)no2)c(C)s1 67561877 IYKPEBSKFKBVHA-UHFFFAOYSA-N 306.435 2.618 0 50 DFAA CCCN1C[C@@H](CNCc2cc(C)c3ncccc3c2)CC1=O 421350024 KDTAEQOYDWPHNI-MRXNPFEDSA-N 311.429 2.891 0 50 DFAA CCCN1CC[C@H](N2CCN(C3CCCCC3)CC2)CCC1=O 22911874 NKBGIRMXTKRAHR-GOSISDBHSA-N 321.509 2.728 0 50 DFAA CCn1cc(NC(=O)c2ccc3nccc(C)c3c2)ccc1=O 350516589 PZXOARDTIKBGDY-UHFFFAOYSA-N 307.353 2.977 0 50 DFAA CCn1ccnc1CN(C)c1nncc(-c2ccccc2F)n1 12317643 HZFVQTDLVNVXLD-UHFFFAOYSA-N 312.352 2.531 0 50 DFAA O=C(O)CCC1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 324216260 AXTIGBGQHPKPSV-QGZVFWFLSA-N 315.413 2.895 0 50 DFAA Cc1cc(C)n([C@@H](C)C(=O)N(C)CCc2scnc2C)n1 67692659 MLRKHITVBMWXBT-ZDUSSCGKSA-N 306.435 2.527 0 50 DFAA O=C(C[C@H]1CCCCO1)N1CCC[C@@]1(CO)Cc1ccccc1 252491687 LQVANOOATZDIIG-MJGOQNOKSA-N 317.429 2.542 0 50 DFAA O=C(NC1CCCC1)c1ccccc1OC[C@@H](O)C(F)(F)F 158453213 HJYBKPOTFLCGGJ-CYBMUJFWSA-N 317.307 2.661 0 50 DFAA C[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1cnn(C)c1 72410050 ARDZCVVKFPPSBG-CYBMUJFWSA-N 315.417 2.615 0 50 DFAA CCc1ccc(CN2CCN(C(=O)[C@H]3CCCCO3)CC2)s1 124092611 WFYHKWOPZIXTBA-MRXNPFEDSA-N 322.474 2.524 0 50 DFAA CC(=O)N1CCc2c(nc(C)nc2NCCC2=CCCCC2)C1 72167758 QEAYPWYAJSLDBY-UHFFFAOYSA-N 314.433 2.992 0 50 DFAA CCCc1cc(N2CCN[C@H](c3ccccc3)C2)n2nccc2n1 72127474 AOZPDPBJCVOTGQ-KRWDZBQOSA-N 321.428 2.833 0 50 DFAA COc1ccc([C@H](O)[C@H](C)NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 241409038 NDZYVSAVJAKNLH-RYVAKFFKSA-N 315.413 2.525 0 50 DFAA C[C@@H](NC(=O)c1ccc2c(=O)n(C)cnc2c1)C1=CCCCC1 215148276 NQUNQBIYGMQCPD-GFCCVEGCSA-N 311.385 2.552 0 50 DFAA O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@H](O)C1CCCCC1 333731923 PTNOKMPRRQAWLC-KZNAEPCWSA-N 317.429 2.822 0 50 DFAA c1cc(-c2noc(-c3ccn([C@H]4CCCNC4)n3)n2)cs1 261781693 NWTUMNCLBLPEKV-NSHDSACASA-N 301.375 2.586 0 50 DFAA CO[C@@H](C(=O)NC1(CC(=O)O)CCCCC1)c1ccccc1 219844883 HZABXJINIUZQOM-OAHLLOKOSA-N 305.374 2.668 0 50 DFAA COc1ccc(C2(CNC(=O)C[C@@H]3CCNC3)CCCC2)cc1 215615686 ZUDJZINMLUTJJC-HNNXBMFYSA-N 316.445 2.623 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 262152104 NDDBRYGHJCPNCL-YRGRVCCFSA-N 319.357 2.678 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](Cn3cnc4ccccc43)C2)on1 373468062 WEOMYOUQHWVPEA-AWEZNQCLSA-N 324.384 2.885 0 50 DFAA NC(=O)[C@@H]1c2ccccc2CCN1Cc1cccc2[nH]ccc12 378352885 WGLBCCDKXFJJLD-SFHVURJKSA-N 305.381 2.753 0 50 DFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc3ccccc3o2)C1 379165668 ZIKIYZZHPUHARI-GWCFXTLKSA-N 312.291 2.927 0 50 DFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@]2(CCNC2)C1 222272199 PFVUHDASQPGJAS-MRXNPFEDSA-N 308.809 2.564 0 50 DFAA COC[C@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 223125049 LMDMJACTGNYCJG-HNNXBMFYSA-N 302.418 2.785 0 50 DFAA Cc1cccc(Cn2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)c1 18166719 NTICTDCOMJLXBQ-IYBDPMFKSA-N 323.396 2.919 0 50 DFAA COc1ccccc1OCCN1CCO[C@@H](c2nccs2)C1 195521849 FIFZWSKSSYNTJG-OAHLLOKOSA-N 320.414 2.604 0 50 DFAA CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cc(C2CC2)ncn1 95357484 POQOAXOAGNKZET-SJLPKXTDSA-N 308.385 2.568 0 50 DFAA C[C@@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@]1(O)C1CC1 91997815 QFMFPWWIFBXEFH-BEFAXECRSA-N 300.446 2.748 0 50 DFAA CN1CCN(Cc2ccccc2)[C@H](C(=O)OCc2ccccc2)C1 95082160 XJAUWQWRZFAKRH-IBGZPJMESA-N 324.424 2.546 0 50 DFAA O=C(NCCc1ccccc1OC(F)(F)F)[C@@H]1CCCCO1 97492436 OZQKIGZVTSLZSE-ZDUSSCGKSA-N 317.307 2.813 0 50 DFAA Cc1csc(CCCC(=O)N2CCCC[C@H]2C[C@@H](C)O)n1 296178167 VDQYFYUMLNTBQI-KGLIPLIRSA-N 310.463 2.926 0 50 DFAA Cc1nonc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 244884292 YJGKLKWRBJKJHG-NSHDSACASA-N 312.329 2.539 0 50 DFAA Cn1cnc2cc(C(=O)N(Cc3cccs3)C3CC3)cnc21 183608326 CTLGYOTYZJEFAM-UHFFFAOYSA-N 312.398 2.835 0 50 DFAA O=C(NCCSc1ncn[nH]1)Nc1cccc2c1CCCC2 299771590 UPEIVSXAOXEZEZ-UHFFFAOYSA-N 317.418 2.597 0 50 DFAA CNC(=O)C[C@H]1CCN(Cc2ccccc2C(F)(F)F)C1 670469545 ADFOSLZMXCRZEV-LLVKDONJSA-N 300.324 2.663 0 50 DFAA COc1ccc2[nH]c(CNC(=O)c3ccnc(OC)c3)cc2c1 670447784 XPAMBRVBTLQVDX-UHFFFAOYSA-N 311.341 2.510 0 50 DFAA CC1(C)OC[C@@H](CN2CC=C(c3c[nH]c4ncccc34)CC2)O1 408522251 GEOCDCNKCIBJQD-CQSZACIVSA-N 313.401 2.804 0 50 DFAA Cc1nnsc1C(=O)N1CCC[C@H]1Cc1cccc(F)c1 170612311 GBNPYXJRYZDQLF-ZDUSSCGKSA-N 305.378 2.833 0 50 DFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1ccsc1 170619016 MAJSRNBXISFGNQ-OAHLLOKOSA-N 317.410 2.581 0 50 DFAA O=C(CCc1ccccc1F)NCc1ccnc(-n2cccn2)c1 170605836 LZSNETPKMYUNOX-UHFFFAOYSA-N 324.359 2.655 0 50 DFAA Cc1cc(C(=O)O)c2c(C)nn(-c3nc4ccccc4[nH]3)c2n1 170639174 GDYINGYQDSAYRQ-UHFFFAOYSA-N 307.313 2.612 0 50 DFAA Cc1ccc([C@@H](C)N(C)C[C@@H](O)CC2(O)CCOCC2)c(C)c1 634644141 ORXYFQCKOFWTHY-SJORKVTESA-N 321.461 2.589 0 50 DFAA Cn1c(NC(=O)CCOCC(F)F)nc2c(Cl)cccc21 190311317 AZXRNKKSKMSMRH-UHFFFAOYSA-N 317.723 2.837 0 50 DFAA O=C(NCc1ccc(C(=O)O)cc1)NC[C@H]1C[C@@H]1c1ccccc1 646161644 PYGBQXVPLSTFAO-IAGOWNOFSA-N 324.380 2.988 0 50 DFAA Cn1cc(CC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cn1 195314985 AWTPJFXYHXMFNJ-UHFFFAOYSA-N 317.437 2.850 0 50 DFAA COC1([C@H](C)NC(=O)c2cc(O)nc3ccccc23)CCC1 665661892 VZFKGRMFJSZHLW-NSHDSACASA-N 300.358 2.628 0 50 DFAA CCC(CC)(CNC(=O)[C@H]1C[C@@H]2[C@@H](N)C[C@H]2C1)C(F)(F)F 1615548938 UMRLNPRMJCLOIX-WYUUTHIRSA-N 306.372 2.845 0 50 DFAA Cc1cnc(C(=O)N2CCOc3c2cccc3C(F)(F)F)cn1 1616031394 XSKASTNDSBOPFK-UHFFFAOYSA-N 323.274 2.843 0 50 DFAA CC1=C(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)OCCO1 1506401467 IGABZADYHADFQD-HZPDHXFCSA-N 317.385 2.519 0 50 DFAA Cc1ccc(C(=O)NC(=S)NC(C)C)cc1Br 615367 ZZKYDJUGKZEXKK-UHFFFAOYSA-N 315.236 2.770 0 50 DFAA O=C(NCc1cccnc1-n1cnc2ccccc21)C1CCC1 12307006 PPBMPZRUBAKLEY-UHFFFAOYSA-N 306.369 2.837 0 50 DFAA COc1cccc(CN2CCC[C@]3(CCN(C(C)C)C3)C2=O)c1 14960463 HXBPYUWKCMGFOT-LJQANCHMSA-N 316.445 2.918 0 50 DFAA Cc1cc(NCC2(CO)CCOCC2)c2cc(F)ccc2n1 164061380 RUGOTMFYARMDMD-UHFFFAOYSA-N 304.365 2.883 0 50 DFAA O=C1CCC(=O)N1OCCOc1ccc(Cl)c2ccccc12 2868630 KUMNEPZJPMDLRS-UHFFFAOYSA-N 319.744 2.953 0 50 DFAA CC(=O)c1cccc(NC(=O)C(=O)NC2CCC(C)CC2)c1 4866755 NFXFPYJNKNSMNZ-UHFFFAOYSA-N 302.374 2.523 0 50 DFAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C=C/C(=O)O 4904128 OSWAXUMFYVAVMV-AATRIKPKSA-N 311.359 2.628 0 50 DFAA COc1cc(-c2nccn2[C@@H]2CCC[C@@H](N)C2)cc2c1OCO2 1857699960 GGCAPBLRJGLJGG-CHWSQXEVSA-N 315.373 2.730 0 50 DFAA OC[C@@H](CN1CCCCC1)Nc1cnc2cc(Cl)ccc2n1 624209448 DSKKJLAOGIWJJK-CYBMUJFWSA-N 320.824 2.542 0 50 DFAA CC(C)N(C)c1ccccc1NC(=O)[C@H]1CCCCC(=O)N1 424055538 FGRQSZCKAWYUAZ-CQSZACIVSA-N 303.406 2.529 0 50 DFAA CN(CC1CCOCC1)c1nncc(-c2cccc(F)c2)n1 12439281 QFILFACCXRZEDD-UHFFFAOYSA-N 302.353 2.541 0 50 DFAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCCO1)c1cccc(Cl)c1 776672284 CWBOWFQBSTXXDT-CHWSQXEVSA-N 311.765 2.541 0 50 DFAA CS(=O)(=O)C1(c2noc(-c3ccccc3Cl)n2)CCC1 585120315 HHPULQRXFVSRPP-UHFFFAOYSA-N 312.778 2.814 0 50 DFAA CC1(C)CCCC[C@H]1NC(=O)N1CCCN(CC(F)F)CC1 163370848 FIIZOCXXEANEFN-CYBMUJFWSA-N 317.424 2.938 0 50 DFAA Clc1ccc(-c2noc(C34CCCN(CCC3)C4)n2)nc1 904155301 GRXJBVRMUKGNJX-UHFFFAOYSA-N 304.781 2.912 0 50 DFAA C[C@H]1CN(C(=O)c2cncc(-c3ccccc3)c2)C[C@@H]1C(=O)O 828413777 VDZOONBSCHPOEA-LRDDRELGSA-N 310.353 2.541 0 50 DFAA CC(C)Sc1nnc2c(C(=O)O)ccc(C(F)(F)F)n12 950757394 YRQLUNMLNQUODR-UHFFFAOYSA-N 305.281 2.947 0 50 DFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1Cc1ccncc1Cl 952890350 YOUUORUCWYEXLY-CYBMUJFWSA-N 320.780 2.884 0 50 DFAA C[C@@H]1OCC[C@@]1(C)C(=O)NCc1nc(C2CCCCC2)no1 1875320319 PCJVWKOUOJIRNO-MEDUHNTESA-N 307.394 2.549 0 50 DFAA Cc1nn(-c2ccccc2)cc1CN[C@H]1CCO[C@@H]1c1cc[nH]n1 888077096 IRKCEVDBUIIYLK-WMZOPIPTSA-N 323.400 2.524 0 50 DFAA O[C@@H](CF)c1cccc(-c2noc([C@]34CCC[C@H]3OCC4)n2)c1 1775987017 AANPCZIGWIPCDO-VBQJREDUSA-N 318.348 2.950 0 50 DFAA CSCC[C@H](NC(=O)c1cc(CC(C)C)oc1C)C(=O)O 3618874 ADCGRQIYSOKNGD-ZDUSSCGKSA-N 313.419 2.723 0 50 DFAA COc1ccc(C2CCN(C(=O)C[C@@H]3C=C[C@H](N)C3)CC2)cc1 2325799105 UXOVGPHMXCPQMG-PBHICJAKSA-N 314.429 2.695 0 50 DFAA C[C@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cn(C)cn1 2325856632 XKFSJMTUOSSWRJ-ZDUSSCGKSA-N 306.369 2.973 0 50 DFAA Cc1ccc2sc(S(=O)(=O)Cc3cc(C)on3)nc2c1 2325870935 VNAOWJSLSGAIQT-UHFFFAOYSA-N 308.384 2.875 0 50 DFAA FC(F)(F)Cn1ccc(Cc2nc(-c3ccsn3)no2)n1 904083610 NNWQQRGKOOAFGI-UHFFFAOYSA-N 315.280 2.543 0 50 DFAA COc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1 2872801 WLCQXSHKJDDNQP-UHFFFAOYSA-N 311.813 2.956 0 50 DFAA Cc1cc(C)cc(N2C(N)=NC(N)=N[C@H]2c2ccccc2F)c1 6785875 HVMDMOSGUIRAPN-OAHLLOKOSA-N 311.364 2.591 0 50 DFAA CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1C[C@H](c2ccccc2)C1 280634106 IFFHXFUCLSNQGJ-KZNAEPCWSA-N 314.429 2.744 0 50 DFAA O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1nccs1 225543833 CAGPMELHZSRVGG-LBPRGKRZSA-N 305.403 2.693 0 50 DFAA O=C1Nc2ccccc2[C@@]12NCCc1c2[nH]c2ccc(F)cc12 20046466 DQADOBWPCNQWPS-SFHVURJKSA-N 307.328 2.648 0 50 DFAA biogenic O=C(CN1CCN(c2ccccc2)CC1)NC1CCCCCC1 54529673 RQNQBYNPBNYDCS-UHFFFAOYSA-N 315.461 2.648 0 50 DFAA Fc1ccccc1N1CCN([C@H]2CCCN(C3CCC3)C2)CC1 20271757 QYHUMOQVSALKMY-KRWDZBQOSA-N 317.452 2.965 0 50 DFAA CCc1ccccc1OCCCN(C)C(=O)CCc1cn[nH]c1 55393244 WWOBBITXCRJARK-UHFFFAOYSA-N 315.417 2.832 0 50 DFAA COCCn1cc(NCc2cccc3c2OC(C)(C)C3)cn1 134267972 IQELPYJOXGGOPJ-UHFFFAOYSA-N 301.390 2.855 0 50 DFAA CC[C@H]1CN(C(=O)CCC(=O)c2ccccc2)CC[C@@]1(C)O 67559850 HISKXPVJYUVYFP-MAUKXSAKSA-N 303.402 2.659 0 50 DFAA c1ccc(CN2CCC(NCc3cncn3C3CC3)CC2)cc1 303211465 VJFPQKCDLNWDSY-UHFFFAOYSA-N 310.445 2.972 0 50 DFAA CCNC(=O)[C@H]1CCCN(C[C@@H](O)c2ccc(C(C)C)cc2)C1 229216827 NRSDSZJGPDOWPE-ZWKOTPCHSA-N 318.461 2.692 0 50 DFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)n1 331642523 QVDAMANEXHXHKB-KSZLIROESA-N 321.465 2.606 0 50 DFAA CN(C(=O)[C@H]1C[C@@H]1c1cccnc1)c1nc2ccccc2n1C 120302183 BTOZKCDSMWODDZ-KGLIPLIRSA-N 306.369 2.735 0 50 DFAA CCS[C@H]1CCCC[C@H]1NC(=O)NCc1cnn(C)c1C 120490220 IRAWTQKFSFQYCU-KGLIPLIRSA-N 310.467 2.592 0 50 DFAA CO[C@H]1CCC[C@@H](CC(=O)NCc2nnc(C(C)C)s2)C1 331064893 PLOCLFRIJTZGDX-NEPJUHHUSA-N 311.451 2.873 0 50 DFAA Cc1ccc(F)cc1NC(=O)c1nn(C)cc1Br 2767676 LCOJFLMQUZFYBD-UHFFFAOYSA-N 312.142 2.882 0 50 DFAA O=C(CCc1cccc(Cl)c1)NCCc1nc(C2CC2)no1 217731943 SNVAMSPHZSZMBP-UHFFFAOYSA-N 319.792 2.892 0 50 DFAA Cc1nsc(N2CCCN(C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 253393355 ZLBNNPITDCHGBG-KKUMJFAQSA-N 306.479 2.795 0 50 DFAA O=C(NCC1(C2CC2)CC1)c1ccc(-c2nnc(S)o2)cc1 124770499 VHGRBPRMDQDXAL-UHFFFAOYSA-N 315.398 2.945 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)n(C)n2)no1 363348982 MJOAXANDBGVVAV-ZDUSSCGKSA-N 317.393 2.602 0 50 DFAA CN(Cc1nc(-c2ccoc2)no1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 241383505 MVVQVAZRZHEWIM-MRVWCRGKSA-N 303.362 2.575 0 50 DFAA c1cn(Cc2nc(C3CCCCC3)no2)c([C@@H]2CCOC2)n1 77300389 BQRYTHRXMGOYIK-CYBMUJFWSA-N 302.378 2.866 0 50 DFAA CCc1ccc(CN(CCC(=O)OC[C@@H](C)O)C2CC2)cc1 241961376 URWMDJYQCNKCFQ-CQSZACIVSA-N 305.418 2.528 0 50 DFAA CC(C)CCC[C@H]1CN(C(=O)c2c(O)cccc2O)CCO1 71748045 HEWOAHKLOGTKTF-ZDUSSCGKSA-N 307.390 2.765 0 50 DFAA C[C@H](C[C@@H](O)c1cccs1)NC1CCC2(CC1)OCCO2 156421123 HRHYKHSWBJHWIQ-TZMCWYRMSA-N 311.447 2.835 0 50 DFAA c1cc2ccc(N3CCN(C4CCSCC4)CC3)nc2[nH]1 72167846 CJAKKPPOXHPRTE-UHFFFAOYSA-N 302.447 2.581 0 50 DFAA Cn1cc(N2CC[C@@H](Sc3ncc(C(C)(C)C)o3)C2=O)cn1 130099139 PMHPAGZFGCTMCR-LLVKDONJSA-N 320.418 2.603 0 50 DFAA CCN(Cc1ccccc1-c1ccco1)[C@H]1CCS(=O)(=O)C1 215711417 BOPMNGINEXNKLT-HNNXBMFYSA-N 319.426 2.956 0 50 DFAA CC(C)Cn1ncnc1CN[C@H](C(C)C)C1(CO)CCCC1 459520216 CVMFHUOIRWZNMK-MRXNPFEDSA-N 308.470 2.601 0 50 DFAA CC(C)C[C@@H](CC(=O)O)NC(=O)Cc1ccc(O)c(Cl)c1 220561265 JBGAUDVBRGBQGN-NSHDSACASA-N 313.781 2.594 0 50 DFAA Cc1ncsc1CCC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 82098781 GPIPKVHMJQGWHW-CQSZACIVSA-N 320.462 2.812 0 50 DFAA CC[C@H](C(=O)NCCCCN1CCCCCC1)n1cccn1 223725927 RWHQLEFBDWGCOZ-MRXNPFEDSA-N 306.454 2.607 0 50 DFAA Cc1cc(-n2nc(C)cc2NC(=O)c2ccc(C)o2)nc(C)n1 176803756 YMAOUHHTBTYPRV-UHFFFAOYSA-N 311.345 2.741 0 50 DFAA O=C(CCC(F)(F)F)N[C@H]1CCCN(Cc2cccnc2)C1 222506319 LBURODZCCQGADU-ZDUSSCGKSA-N 315.339 2.505 0 50 DFAA Cc1c([C@H]2CCCN2[C@H]2CCc3ccccc3NC2=O)cnn1C 225400400 VRNKJWKYKBEKAH-MSOLQXFVSA-N 324.428 2.819 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cccn2Cc2cccs2)C1 178261382 URNOWYYETGTYBR-MRXNPFEDSA-N 318.398 2.535 0 50 DFAA Cc1ccc([C@@H](C(=O)N2CCC3(CCCO3)CC2)N(C)C)cc1 95373077 KZFFWSPDTNNIKG-KRWDZBQOSA-N 316.445 2.769 0 50 DFAA COc1ccnc(CN2CC3(CCCCC3)CC2=O)c1OC 95517785 BLPKEFZVYWISHO-UHFFFAOYSA-N 304.390 2.782 0 50 DFAA CN1CCC[C@H](CCC(=O)NC(C)(C)Cc2ccc(O)cc2)C1 97698870 PHGLVORRLSDIJV-MRXNPFEDSA-N 318.461 2.952 0 50 DFAA COCCc1nc([C@H](C)n2ccnc2)n(C2CCCCC2)n1 96138033 SSVQDQJBXPMTHX-ZDUSSCGKSA-N 303.410 2.778 0 50 DFAA COc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)c(C)c1 426420098 YPEAAKHFDBLHMT-UHFFFAOYSA-N 305.374 2.911 0 50 DFAA C[C@H]1CN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)C[C@@H](C)O1 91619868 JYJBSZQXWGYJDG-PHIMTYICSA-N 306.793 2.791 0 50 DFAA COCCC[C@H]1CCCN(C(=O)c2ccn(C(F)F)n2)C1 95376863 BBZZBVTUHCCXPA-LLVKDONJSA-N 301.337 2.557 0 50 DFAA COCc1nc(-c2ccc(C)o2)nn1-c1ccccc1C(=O)O 95391036 PZQNZNWIARRFMS-UHFFFAOYSA-N 313.313 2.680 0 50 DFAA CCc1noc(CCNC(=O)c2[nH]c3ccc(C)cc3c2C)n1 91657146 ZWAIZQDDDGYVCU-UHFFFAOYSA-N 312.373 2.703 0 50 DFAA Cc1cc(C[C@H](C)n2cc(-c3cc(CC(C)C)[nH]n3)nn2)[nH]n1 91493726 KNNWXXJSKAJRTH-LBPRGKRZSA-N 313.409 2.702 0 50 DFAA COc1cc(I)ncc1C(F)(F)F 238366358 STZRFCUFMPACEU-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2[C@@H](O)N1c1ccc(Br)cc1 243932709 BYHFUTIYFNBRMP-PWHOCRISSA-N 320.186 2.552 0 50 DFAA COc1ccc(OS(=O)(=O)C[C@H]2CCCC2(F)F)cc1 295436707 ZRXQEDGTGONBMY-SNVBAGLBSA-N 306.330 2.839 0 50 DFAA Cc1cc(CC(=O)N(C)Cc2nc3c(s2)CCCC3)on1 244674026 IAAXHRBKHSNEBZ-UHFFFAOYSA-N 305.403 2.519 0 50 DFAA Cc1noc([C@@H](C)NC(=O)N2CCc3c(Cl)cccc3C2)n1 353303099 ZVDOJQUFAKOHTR-SECBINFHSA-N 320.780 2.860 0 50 DFAA CCC[C@H](NC(=O)COCc1ccccc1)c1nccn1C 534649997 LMXNCDXRKTWUFT-HNNXBMFYSA-N 301.390 2.594 0 50 DFAA C[C@H](C(=O)Nc1nccs1)N(Cc1cccc(O)c1)C1CC1 299773824 FFKRNLWNONXOLD-LLVKDONJSA-N 317.414 2.840 0 50 DFAA CC[C@@H](NC(=O)c1sc(N)nc1C)c1nc(C)c(C)s1 299772255 UHYQRZOBJSJGAV-SECBINFHSA-N 310.448 2.988 0 50 DFAA C[C@@H]1Cc2cc(NC(=O)c3csc(CN(C)C)n3)ccc2O1 823719858 RTSSIWCFKGELMY-SNVBAGLBSA-N 317.414 2.780 0 50 DFAA CC(C)(C)C(=O)c1cc(Br)ccc1OCC(N)=O 585138611 NLKTXYUCYAZYPX-UHFFFAOYSA-N 314.179 2.542 0 50 DFAA Clc1ccc([C@@H](CNc2cnccn2)N2CCCC2)cc1 584885373 ZXIVHHVCANRTNJ-OAHLLOKOSA-N 302.809 3.379 0 50 DFAA O=C(NCc1noc(C2CC2)n1)c1conc1-c1ccccc1 670447808 PWFQOUALGFOGBP-UHFFFAOYSA-N 310.313 2.532 0 50 DFAA Cc1nc(CNc2nc3cc(C(=O)O)ccc3n2C)cs1 952966170 CIGZFVRPSGUTNJ-UHFFFAOYSA-N 302.359 2.649 0 50 DFAA COc1cccc([C@@H](C)C(=O)Nc2nc(C)cc(OC)n2)c1 410660081 YETRTIFNSDKQAJ-LLVKDONJSA-N 301.346 2.544 0 50 DFAA CC1(NC(=O)NC2CCN(Cc3ccccc3)CC2)CCC1 165679143 YZURZJOAEXIMOZ-UHFFFAOYSA-N 301.434 2.893 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@H]2CCO[C@@H](c3ccccc3)O2)CCO1 390832764 FNSMEFFMUDUBSS-BFYDXBDKSA-N 319.401 2.565 0 50 DFAA CCc1nc([C@@H]2CCCN2CC[S@@](=O)c2ccccc2)no1 205281976 QGMSWLPUTDADMY-RCDICMHDSA-N 319.430 2.577 0 50 DFAA OCc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)c1 641299150 JMUBVXISWLGJPA-UHFFFAOYSA-N 320.339 2.900 0 50 DFAA CO[C@@H]1CC[C@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1 191346888 ORNYJDKSECKMSS-UONOGXRCSA-N 315.417 2.886 0 50 DFAA C[C@@H](N)[C@@H]1CCN(C(=O)c2ccc(Nc3cccnc3)cc2)C1 659306230 MRUKSWFKDNDADI-UKRRQHHQSA-N 310.401 2.635 0 50 DFAA CCc1nc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)co1 1615615385 OZTGBBOAYZLLSI-OAHLLOKOSA-N 300.358 2.841 0 50 DFAA COC(=O)c1sc(NC2CCN(C(C)(C)C)CC2)nc1C 1616035964 KANVQMFCLLDOHX-UHFFFAOYSA-N 311.451 2.913 0 50 DFAA Fc1ccc(N2CCC(NCCCn3cccn3)CC2)cc1F 1506402035 IGADYVSABXWPLG-UHFFFAOYSA-N 320.387 2.810 0 50 DFAA CC(C)c1ccc(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c(O)n1 1704338388 SHKWYSKXVGOQOS-CRAIPNDOSA-N 318.417 2.678 0 50 DFAA Cn1nnc2c(-n3ccnc3-c3ccc(C(=O)O)cc3)cccc21 1772808136 GTBWWBIRUQKLSC-UHFFFAOYSA-N 319.324 2.519 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCn1ccnc1 2767944 NTQRYGYKYCPCDN-LBPRGKRZSA-N 307.781 2.510 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccccc1 2864722 WGEXWKMNEUKZQG-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)CC1 6726357 UIDUQRFZSDBXLU-HZPDHXFCSA-N 308.466 2.966 0 50 DFAA COc1cc(S(=O)(=O)Nc2ncccc2C)c(C)cc1C 4970516 XJXCZOPYVCODKC-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA COCCn1nc(-c2ccccn2)nc1-c1cnc(C)cc1C 1857675357 UUTIYNBOKRPVRC-UHFFFAOYSA-N 309.373 2.665 0 50 DFAA COc1cc2c(cc1-c1nccn1C1CCOCC1)OCCO2 1857707744 INTRNEUCRAVYMQ-UHFFFAOYSA-N 316.357 2.681 0 50 DFAA CCOc1cc(C(=O)Nc2ccc(=O)n(CC)c2)ccc1C 113031669 WZJBHBQVHFGDPX-UHFFFAOYSA-N 300.358 2.828 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccco3)o2)C1 12533456 ADKTZYATRMFBCT-PHIMTYICSA-N 321.402 2.926 0 50 DFAA CO[C@H]1C[C@@H](CO)N(c2nc3cc(Cl)cc(Cl)c3o2)C1 343677534 BLQIVBMNXSMQPF-IUCAKERBSA-N 317.172 2.721 0 50 DFAA Cc1cncc(CCC(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1 366442780 RSBFHUDXBJUHMQ-FQEVSTJZSA-N 322.408 2.981 0 50 DFAA Cc1nc([C@H]2COCCN2C(=O)CC2(C)CCCCC2)no1 369441894 WOISPIYKEYDOKO-CYBMUJFWSA-N 307.394 2.638 0 50 DFAA CCOC(=O)c1cc(NC(=O)[C@@H]2CCCO2)c2ccccc2n1 585086555 DHENBAYRUVQXIY-HNNXBMFYSA-N 314.341 2.529 0 50 DFAA Cc1cc(C)c(S(=O)(=O)NCc2ncccc2C)c(C)c1 264145541 CEHDQFSATVYQTN-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA CCc1cc(N2CCC[C@@H](Nc3ncc(Cl)cn3)C2)ncn1 267084484 LAIUKXMPPHJBPK-CYBMUJFWSA-N 318.812 2.563 0 50 DFAA Oc1nnc(Cl)cc1Nc1ccc(N2CCC(O)CC2)cc1 872414234 NPDZNOCPDILXLD-UHFFFAOYSA-N 320.780 2.540 0 50 DFAA Cc1ccc([S@@](C)(=O)=NC(=O)CCOCC(F)F)cc1 952994052 TYTJQDFKPBBVEW-HXUWFJFHSA-N 305.346 2.650 0 50 DFAA CC(C)(C)C[C@H](O)CN(C=O)Cc1ccc(-n2cccn2)cc1 1875325900 XJALKLJOCZJYLR-KRWDZBQOSA-N 315.417 2.628 0 50 DFAA C[C@](C[C@@H]1CCOC1)(C(=O)O)n1cc(-c2ccccc2F)cn1 1776004046 MCBDWUKGEGNSDI-SJCJKPOMSA-N 318.348 2.916 0 50 DFAA Cc1nc(CN2CCC[C@@H]2c2ncc(C(=O)O)cn2)sc1C 1777499183 KEVIYRIMJCIASU-GFCCVEGCSA-N 318.402 2.585 0 50 DFAA Cc1nc2c(C(=O)N3CCC[C@H]3c3cccnc3)ccnc2n1C 2100556683 OWXKIGBMZSDPHM-HNNXBMFYSA-N 321.384 2.649 0 50 DFAA C[C@H]1CN(C(=O)CN(C)[C@H]2C[C@H](c3ccccc3)C2)C[C@@H](C)O1 2325771914 BSSOFETUUNGWLX-KPOQHDDYSA-N 316.445 2.500 0 50 DFAA COc1ccc([C@H](C)NC(=O)[C@@H]2CNC3(CCCC3)C2)cc1F 2325786811 GATFKTGGDUJBDM-JSGCOSHPSA-N 320.408 2.934 0 50 DFAA C[C@@H](Cn1ccnc1)C(=O)N[C@@H](C)c1ccc2ccn(C)c2c1 2325796997 PONSPSASUWGOEX-KBPBESRZSA-N 310.401 2.888 0 50 DFAA CC1(C)CC2(CC(NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)C1 2325828212 BCPTZZDQFPAHRT-GFCCVEGCSA-N 321.465 2.654 0 50 DFAA Cc1cc(C)c(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c(C)c1 2356143405 GKKJVJVZIBHCGB-HNNXBMFYSA-N 322.412 2.893 0 50 DFAA CCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C 410509 SMYBEDBLELCCPK-UHFFFAOYSA-N 310.467 2.962 0 50 DFAA Cc1c(NC(=O)NC2CCCC2)n(C)c(=O)n1-c1ccccc1 4855803 GRNFJDYAXGZWCC-UHFFFAOYSA-N 314.389 2.549 0 50 DFAA CC(C)(C)c1ccc(OC[C@H](O)CSc2ncn[nH]2)cc1 8580110 GELABSIHEHAUTB-LBPRGKRZSA-N 307.419 2.634 0 50 DFAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)c(F)c1F 9038887 DCPVROOKLDRWMB-UHFFFAOYSA-N 322.242 2.651 0 50 DFAA Cc1sc2nc(CCN)nc(N3C[C@H]4CC[C@H]3C4)c2c1C 101923564 XXKJJMBORQRPER-RYUDHWBXSA-N 302.447 2.798 0 50 DFAA Cc1cc(C)nc(NCc2nncn2CCc2ccccc2)n1 65394015 WFSKVFXRCRKHAM-UHFFFAOYSA-N 308.389 2.540 0 50 DFAA CCN1CCC(N2CCN(C/C=C/c3ccccc3)CC2)CC1 20010484 FSIRVZKFRCLPGT-RMKNXTFCSA-N 313.489 2.802 0 50 DFAA Cc1ccncc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229318425 GKFYCMAGUVZINF-RVZJWNSFSA-N 315.417 2.660 0 50 DFAA Cc1ccc([C@@H](CNC(=O)c2cncc(F)c2)N(C)C)cc1 125944501 QNFJMBMZEWXMQC-MRXNPFEDSA-N 301.365 2.562 0 50 DFAA O[C@H]1CCN(Cc2cc(-n3ccnc3)cs2)C12CCCC2 353995173 HELSKDSKGHNSAH-HNNXBMFYSA-N 303.431 2.813 0 50 DFAA Cc1cnc(C(C)(C)NC(=O)Nc2c(C)ccn(C)c2=O)s1 155335835 VFTJKMKISVPUNJ-UHFFFAOYSA-N 320.418 2.515 0 50 DFAA COc1ccc(Cc2c(N)nc(-c3ccccc3)nc2N)cc1 169674 ZVZZSDWLUKTJPQ-UHFFFAOYSA-N 306.369 2.907 0 50 DFAA C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@@H]1CCCO1 372030 COKYVJRWFPJIJA-RNCFNFMXSA-N 321.760 2.744 0 50 DFAA Cc1ccc([C@@](C)(O)CS(=O)(=O)Cc2ccccc2)cc1 1388771 LHDZFZJIKGOEJH-KRWDZBQOSA-N 304.411 2.818 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2cnc(C3CC3)s2)cnn1C 328638381 WHVKCOMPTBGPPG-LSDHHAIUSA-N 318.446 2.682 0 50 DFAA Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H](CN)C(C)C 433114641 HSFLFLJRZNNFRN-CQSZACIVSA-N 317.458 2.966 0 50 DFAA Cc1cc(F)ccc1CN1CC[C@](O)(CN2CCCCC2)C1 77489359 ZWAPTUXLWKBVOB-SFHVURJKSA-N 306.425 2.557 0 50 DFAA CC(=O)N1CCc2cc(C(=O)N(C)Cc3cnccc3C)ccc21 332572864 DLNKHIBINXRPBQ-UHFFFAOYSA-N 323.396 2.571 0 50 DFAA O=C(c1ccc2n[nH]nc2c1)N1CCCC[C@@H]1c1ccccn1 216438347 CMFFOGJWJXFVNK-MRXNPFEDSA-N 307.357 2.720 0 50 DFAA c1ccc(CN2C[C@H](NCCCn3cccn3)C[C@H]2C2CC2)cc1 367908888 DIGPRYAQVVYUKD-UXHICEINSA-N 324.472 2.916 0 50 DFAA COc1ccc(S(=O)(=O)NCc2ccccc2F)cc1C 30291262 RWVPDGDIJZLBCB-UHFFFAOYSA-N 309.362 2.621 0 50 DFAA CC[C@H](NC(=O)c1ccccc1OC(F)F)c1cnn(C)c1 219755957 KNXCDGLCCBBWOK-LBPRGKRZSA-N 309.316 2.903 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cccc(F)c2)c1 282402007 HQRZXJHOQBXCCV-RDJZCZTQSA-N 315.344 2.782 0 50 DFAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(C)n[nH]3)[C@@H](C)CO2)c1 172729221 HIGLKXRFDRQXNF-YOEHRIQHSA-N 313.401 2.937 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc(C)oc2C)c1 282644803 XJHRSXMYIDLQMG-YOEHRIQHSA-N 315.369 2.853 0 50 DFAA Cc1ncsc1CCNC(=O)[C@H]1CCc2ccccc2O1 216513227 BELVDZMITWEBIJ-CQSZACIVSA-N 302.399 2.504 0 50 DFAA C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1cc2ccccc2s1 177561129 WVEBUROUQSPQBL-CMPLNLGQSA-N 302.399 2.605 0 50 DFAA CCCC[C@@H](CC(=O)O)NC(=O)c1ccc(C(C)C)nc1O 426487611 VUQUEBWETVXSSI-NSHDSACASA-N 308.378 2.674 0 50 DFAA COC(=O)Cc1c(F)cc2ncc(Br)cc2c1F 91301431 MPCQCUFHOYNRSM-UHFFFAOYSA-N 316.101 2.991 0 50 DFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)cc2)C1 178995466 HHZAJXURNFCSMD-LVDDQXARSA-N 323.234 2.530 0 50 DFAA CN(Cc1noc(C2CC2)n1)[C@@H](/C=C/c1ccccc1)C(=O)O 95378990 QBXMKDHHXJXCOK-RNVIBTMRSA-N 313.357 2.545 0 50 DFAA CCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1OCC 143548710 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2.980 0 50 DFAA O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H]2C=C[C@H]1C2 67975230 XIJLAIVFNOMAHF-UWWQBHOKSA-N 307.397 2.743 0 50 DFAA O=C(CSc1ccc(O)cc1)N1CCCC[C@H]1c1cn[nH]c1 120312174 BAQJEBUESXXOQO-HNNXBMFYSA-N 317.414 2.961 0 50 DFAA COc1ccc([C@H](CCO)NC(=O)c2cccs2)cc1OC 6847439 VDRJOTHSDNSSKM-LBPRGKRZSA-N 321.398 2.619 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)[C@H](O)C2CCCCC2)C1 219305164 RYVAZMOTIBPWNT-QGZVFWFLSA-N 317.429 2.834 0 50 DFAA NC(=O)[C@H]1c2ccccc2CCN1Cc1cccc2[nH]ccc12 378352880 WGLBCCDKXFJJLD-GOSISDBHSA-N 305.381 2.753 0 50 DFAA Cc1ccc(C(=O)N2CCC(Cn3cncn3)CC2)c2c1CCC2 333752968 YCZMNXMZSXMTFK-UHFFFAOYSA-N 324.428 2.628 0 50 DFAA O=C(Nc1cccc2cn[nH]c12)c1ccccc1[C@H]1CCNC1 72148841 SYLXGWUDASTNQX-LBPRGKRZSA-N 306.369 2.892 0 50 DFAA CNc1ncccc1C(=O)N1CCO[C@H](CC2CCCCC2)C1 71761007 MFLXKSKEADKKRT-OAHLLOKOSA-N 317.433 2.935 0 50 DFAA CCn1ccnc1[C@@H](NCc1cnccc1C)C1CCOCC1 284851467 XKKSJWMPXINAGG-KRWDZBQOSA-N 314.433 2.864 0 50 DFAA Cn1nccc1C(=O)NCCc1csc(-c2ccccc2)n1 177555001 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CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCc1ccncc1)C2 1704342732 CHJXHPFFNULAGR-AEFFLSMTSA-N 302.418 2.822 0 50 DFAA O=S(=O)(Nc1ccccc1O)c1cccc2cccnc12 469784 PYRLHQVUJQRPHS-UHFFFAOYSA-N 300.339 2.741 0 50 DFAA O=Cc1nn([C@@H]2CCCCO2)c2cnc(Br)cc12 498051074 KSPRNOWISFUOQZ-LBPRGKRZSA-N 310.151 2.705 0 50 DFAA CC(C)(C)c1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 11990564 UQFMMPBHROTQGJ-UHFFFAOYSA-N 317.414 2.798 0 50 DFAA CCN1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)CC1 16605231 WEJLGMHBZOTJRB-OAHLLOKOSA-N 304.434 2.741 0 50 DFAA COc1cc(CNCCc2ccc3c(c2)OCO3)cc(OC)c1 19721092 HKORGUNRYGWKMW-UHFFFAOYSA-N 315.369 2.765 0 50 DFAA CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1 3905137 VEWRWSHDMJYSEX-AEDCBLDQSA-N 301.386 2.858 0 50 DFAA CCN(CC(=O)Nc1ccc(OC)cc1)C[C@H]1CCCCO1 7290438 VBDKPLCUBNFCNU-MRXNPFEDSA-N 306.406 2.525 0 50 DFAA Cc1cncc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1 225501560 IBTXDZKQSIYFEB-MRXNPFEDSA-N 301.390 2.786 0 50 DFAA CC(C)OCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 3002952 UOENIUNDRNXLMD-UHFFFAOYSA-N 306.406 2.680 0 50 DFAA O=C([C@@H]1CCc2nn[nH]c2C1)N1CCC[C@H]1CCC1CCCC1 328974417 POHGTYMRCVYKHE-CABCVRRESA-N 316.449 2.871 0 50 DFAA Cn1nccc1S(=O)(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 331676121 VJXXWHDGNUJHEZ-CQSZACIVSA-N 319.430 2.582 0 50 DFAA c1cnc(-c2ccnc(N[C@@H]3CCOC4(CCCC4)C3)n2)cn1 333541784 LETAOTTWINZQQA-CYBMUJFWSA-N 311.389 2.837 0 50 DFAA O=C(O)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 238020910 FQIUDPNNUWEEKE-UHFFFAOYSA-N 307.777 2.695 0 50 DFAA O=C(O)c1ccc(CNC(=O)[C@H]2CCOc3ccccc32)cc1 238121216 LAKINPVPMSSBST-HNNXBMFYSA-N 311.337 2.567 0 50 DFAA CC[C@H]1C[C@@H](CN2CCC(N(C)c3cccnn3)CC2)CCO1 390833364 GQAKMXCRVJRIEF-RDJZCZTQSA-N 318.465 2.582 0 50 DFAA Cc1cnc(COCC(=O)N2CCCCC[C@H]2C(F)(F)F)o1 906190772 FUDQCVCBBSTORU-NSHDSACASA-N 320.311 2.833 0 50 DFAA CN(C)c1cccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)c1 914730851 KSSBNUFYZIOEEG-ZDUSSCGKSA-N 318.398 2.760 0 50 DFAA CC(=O)OC(C)(C)c1nc(-c2ccnc(C(F)(F)F)c2)no1 812810553 CCIRFTJOJJAADN-UHFFFAOYSA-N 315.251 2.949 0 50 DFAA CC(=O)Nc1cccc(CN2CCC[C@@H](c3ccn(C)n3)C2)c1 932135217 JQFPMJQXTADUEQ-MRXNPFEDSA-N 312.417 2.758 0 50 DFAA CNC(=O)CCCCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952887842 BUOOVUIYAPXYOF-KRWDZBQOSA-N 302.418 2.903 0 50 DFAA COc1cncc(CN(C=O)CCCN2CCCC[C@@H]2C)c1C 1875325053 HERVGSYIUNLSSK-HNNXBMFYSA-N 319.449 2.622 0 50 DFAA COCCn1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)cn1 888098633 MBZVDOOBQYZUDF-UHFFFAOYSA-N 321.421 2.944 0 50 DFAA CC(C)c1ncc(S(=O)(=O)Nc2cc(O)ccc2Cl)[nH]1 1775987785 ISNADLLQPPLHFV-UHFFFAOYSA-N 315.782 2.693 0 50 DFAA Cc1ccc2ccccc2c1Cn1cc(CN[C@H]2CCOC2)nn1 2325772600 DRQJQVZRNDJCIA-INIZCTEOSA-N 322.412 2.667 0 50 DFAA CN(Cc1nc(-c2cncnc2O)no1)c1ccc(Cl)cc1 2325824844 SQPJMFLFCHSPIO-UHFFFAOYSA-N 317.736 2.522 0 50 DFAA CCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 197442 HQOFWLMSGKQZCY-UHFFFAOYSA-N 303.796 2.555 0 50 DFAA O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 2838555 DXOWTCFIFZCTLK-UHFFFAOYSA-N 315.200 2.622 0 50 DFAA COC[C@@H](C)N(Cc1ccccc1OC)C(=O)c1ccco1 55199788 XDUTXYRSAVBMRH-CYBMUJFWSA-N 303.358 2.966 0 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VVYGZHBTPXYPER-LLVKDONJSA-N 302.187 2.935 0 50 DFAA CSc1ccccc1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 77471342 GBUGQHGYKUBZEV-ZDUSSCGKSA-N 320.458 2.737 0 50 DFAA Cc1noc(C)c1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 439991950 IJMGLQUHZOBALA-UHFFFAOYSA-N 300.270 2.988 0 50 DFAA CCN(Cc1cc2c(cc1OC)OCO2)CC1CCOCC1 215402720 UJNJNOOHWNKHIE-UHFFFAOYSA-N 307.390 2.672 0 50 DFAA CCc1c(C)cc(C(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)c(=O)n1C 71754154 NNXOTBRQCMCYOA-CABCVRRESA-N 314.429 2.684 0 50 DFAA Cc1ccn(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(=O)c1 253421102 PUIWIMULUNPPBA-QZEKMECESA-N 322.408 2.861 0 50 DFAA CN(C)c1nccc(CN[C@@H]2CC(C)(C)Cc3occc32)n1 331801043 JMUUAUYCMSYCNZ-CQSZACIVSA-N 300.406 2.939 0 50 DFAA C[C@H](N[C@@H]1CCCc2occc21)c1ccc(-n2cnnn2)cc1 152280345 FAUZWIZYUHZXGB-BLLLJJGKSA-N 309.373 2.984 0 50 DFAA O=C(c1cccc(Oc2ccccc2)c1)N1CCc2nn[nH]c2C1 359746784 VKHXYBOTXGLQCW-UHFFFAOYSA-N 320.352 2.796 0 50 DFAA CC(C)(C)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)cc1 330593841 WTKISIDBFMWYJR-JSGCOSHPSA-N 306.381 2.555 0 50 DFAA CNC(=O)c1ccc(C)c(NC(=O)N2[C@H]3CCC[C@H]2CC3)c1 365914371 SABGAFSUYILOSB-KBPBESRZSA-N 301.390 2.903 0 50 DFAA Cc1ccc(O)c(CN2CCC[C@H](c3nnc4ccccn34)C2)n1 367351196 DIHCVQGWTHJDIG-AWEZNQCLSA-N 323.400 2.518 0 50 DFAA CCCn1ccnc1CN(C)Cc1cc(-c2cccnc2)no1 77343495 VIPAPIWHSBKYQT-UHFFFAOYSA-N 311.389 2.975 0 50 DFAA CCC1CCN(CCn2cnc3c(C)csc3c2=O)CC1 32550931 NKGFOOQIGRTNRC-UHFFFAOYSA-N 305.447 2.888 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 238100479 PELJQSPQRNJCDK-JTQLQIEISA-N 303.289 2.632 0 50 DFAA O=C1CCN(C(=O)CCC2CCOCC2)c2ccccc2N1 173506025 SNJZCVCLFXYPBA-UHFFFAOYSA-N 302.374 2.569 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)n1C 285527945 NOCOOGRBOPEZLZ-RKVPGOIHSA-N 304.434 2.879 0 50 DFAA CN(C)[C@H]1CCCCN(Cc2ccccc2Cn2cccn2)C1 82147793 WZWDKJUJPCWSHZ-IBGZPJMESA-N 312.461 2.848 0 50 DFAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccoc1C1CC1 287096955 XEURDPAWVNCBMB-FVQBIDKESA-N 319.401 2.813 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1 263460795 VQCWNOMVEUFRSP-LBPRGKRZSA-N 302.374 2.676 0 50 DFAA CC(C)(C)n1cnc(C(=O)Nc2cc3c(cc2Cl)OCO3)n1 291276971 YLBSZGPWIXNUPO-UHFFFAOYSA-N 322.752 2.668 0 50 DFAA CSc1nnc(-c2noc(Cc3c(C)noc3C)n2)s1 225554495 IMOVWHWHKTYLHI-UHFFFAOYSA-N 309.376 2.506 0 50 DFAA CCN(Cc1nccn1C)C(=O)N[C@H](C)c1ccc(F)cc1 426413007 RRIUUWQYVNXUDM-GFCCVEGCSA-N 304.369 2.852 0 50 DFAA CC(=O)c1cc(CN2CCO[C@@H](c3cccnc3)C2)cs1 97480203 GBPLDAPJIHODOX-OAHLLOKOSA-N 302.399 2.919 0 50 DFAA CN(C)[C@H](C(=O)N(CCO)C1CCCCC1)c1ccccc1F 95376871 GOOLEHVPSGXYBN-KRWDZBQOSA-N 322.424 2.582 0 50 DFAA CSCCc1nc(-c2ccon2)n(-c2ccc(F)cc2)n1 96180428 GLVMALKOUZRKGG-UHFFFAOYSA-N 304.350 2.967 0 50 DFAA CN(Cc1n[nH]c2c1CCCCC2)c1nnc(C2CCC2)o1 95374474 RBXJGLUOVMWEEI-UHFFFAOYSA-N 301.394 2.966 0 50 DFAA O=C(CSCC1CC1)NCc1c[nH]nc1-c1ccc(F)cc1 244764132 PBWQMJZQTXYZEC-UHFFFAOYSA-N 319.405 2.975 0 50 DFAA Cc1ccnn1CCN(C)CCc1nc2cc(Cl)ccc2[nH]1 244719201 LYQWJFMXOZFOQZ-UHFFFAOYSA-N 317.824 2.896 0 50 DFAA C[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(O)c2)CCN(C2CC2)C1 297267650 ORFKZVOMZWSUJT-KBPBESRZSA-N 317.433 2.579 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1c(F)cccc1F 299743148 MCRRIFSUJCQFLR-NSHDSACASA-N 311.328 2.753 0 50 DFAA CC(C)CCN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O 263617994 QUVDJASCWHQXGO-HNNXBMFYSA-N 300.358 2.610 0 50 DFAA CC1(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)COC1 534640959 SCJOCLMXIMZFJW-UHFFFAOYSA-N 306.362 2.602 0 50 DFAA Cc1nccn1C[C@@H](C)NCCCc1nc2ccc(F)cc2[nH]1 584902243 LAUYJROUAURUKV-GFCCVEGCSA-N 315.396 2.818 0 50 DFAA CNC(=O)C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 670468385 RFMYCWGOMCONBU-NSHDSACASA-N 318.314 2.803 0 50 DFAA COCc1nc(CCn2nc(C)cc2C)n(C2CCCCC2)n1 670450914 DKXFPVUMORUBNZ-UHFFFAOYSA-N 317.437 2.986 0 50 DFAA CN(C)c1ccc(Cl)cc1NC(=O)CCCN1CCCC1=O 952970351 RGFIOTJFTAKDRI-UHFFFAOYSA-N 323.824 2.747 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1N(C)C 1565516551 UNEJYRQZWOFCTR-AEFFLSMTSA-N 311.429 2.893 0 50 DFAA c1sc(CN2C[C@H]3CCN[C@H]3C2)cc1CN1CCCCC1 1565514613 VDTZUTLUWLYORV-WBVHZDCISA-N 305.491 2.528 0 50 DFAA O=C1CCC[C@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)N1 272494905 CUGDTPGZSNSBFQ-SECBINFHSA-N 318.707 2.549 0 50 DFAA Cc1ccc(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)s1 275546387 ZZSXKTMGBLEIMZ-NSHDSACASA-N 321.402 2.777 0 50 DFAA C[C@@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccccc1C(C)(C)C 170091061 RUZWMTYDOQRSKV-OLZOCXBDSA-N 311.447 2.518 0 50 DFAA NC1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 170599435 JFXZMCUTRWQWHK-UHFFFAOYSA-N 310.397 2.829 0 50 DFAA CC[C@](C)(CNC(=O)c1cccnc1C(F)(F)F)[C@@H](C)O 170607686 SQBXWNMKMHVPLM-NOZJJQNGSA-N 304.312 2.627 0 50 DFAA Cc1cnc(NCC2(CN3CCOCC3)CCCCC2)nc1C 301888528 KXDXMUPMLKREJU-UHFFFAOYSA-N 318.465 2.788 0 50 DFAA CCc1nccn1[C@@H]1CCCN(C(=O)c2ccnc(F)c2F)C1 170608004 LAJQWSMVBMIICN-LLVKDONJSA-N 320.343 2.596 0 50 DFAA COc1ccc([C@@H]2CCCN2c2ncnc3c2CN(C)CC3)cc1 222191446 LWQKQPRNFIKNPM-SFHVURJKSA-N 324.428 2.815 0 50 DFAA CCCn1cc(NC(=O)N2CCC([C@H]3CCCO3)CC2)cn1 190225106 MSVITTDBFJYNOD-OAHLLOKOSA-N 306.410 2.716 0 50 DFAA COCCC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CC1 190209025 JWRCKFRHZQOULJ-HOTGVXAUSA-N 303.402 2.697 0 50 DFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCSC[C@H]1C1CC1 585118881 GPMYUXXPRQBPFP-ZDUSSCGKSA-N 320.414 2.817 0 50 DFAA CS(=O)(=O)c1ccc(-c2cc(Cl)c(O)cc2F)nc1 1245669742 XMFSNVZNHLOBBE-UHFFFAOYSA-N 301.726 2.650 0 50 DFAA N[C@@H]1C[C@H](C(=O)N2CCc3c(cccc3C(F)(F)F)C2)[C@H]2C[C@H]21 1615546171 KKNKXOQXSPMDJQ-SFDCQRBFSA-N 324.346 2.573 0 50 DFAA COc1cccnc1CNC(=O)Nc1c(C)noc1C1CC1 1649148399 KFHLXAVQGOHYJJ-UHFFFAOYSA-N 302.334 2.586 0 50 DFAA CN(CCCN1CCCCCC1)C(=O)Cc1cccc(O)c1 1506414533 FEYUUEJVXZRFJR-UHFFFAOYSA-N 304.434 2.659 0 50 DFAA Cc1ccc([C@H](CNc2ncc(C)c(N(C)C)n2)N(C)C)cc1 1529141443 CLDFWCFELCPEHX-INIZCTEOSA-N 313.449 2.874 0 50 DFAA O[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1Cc1ccccn1 1529178821 PTVLRRBKWWTGCY-BXUZGUMPSA-N 308.834 2.832 0 50 DFAA Cc1nc(N2CCN(CC3CC3)CC2)ccc1Br 223880859 CGLRLRYZTZRUSN-UHFFFAOYSA-N 310.239 2.685 0 50 DFAA O=Cc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1 115124529 NXPFHUPKORDOHQ-UHFFFAOYSA-N 322.368 2.800 0 50 DFAA in-vitro Cc1cc(Br)cc(C(=O)Nc2cnccc2CO)c1 135283670 SARRILJYTAKJSG-UHFFFAOYSA-N 321.174 2.897 0 50 DFAA Cc1cc(C)nc(-n2ncc3c2C[C@H](c2ccco2)CC3=O)n1 2203528 MUFOTAJNYSEIPF-LBPRGKRZSA-N 308.341 2.785 0 50 DFAA O=C(CN1CCCC1=O)NCC(c1ccccc1)c1ccccc1 19757682 PSUMKLRBJTWLQB-UHFFFAOYSA-N 322.408 2.557 0 50 DFAA CSc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1 19787539 LBUNEGNHIQIYDL-UHFFFAOYSA-N 316.426 2.960 0 50 DFAA CCOC(=O)[C@H]1CCCN(CCOc2cccc(C)c2C)C1 6702313 LVVVCMIPPUUOPO-INIZCTEOSA-N 305.418 2.957 0 50 DFAA CN(C)CCCNC(=O)/C=C/c1ccc(Br)cc1 2748925 BJTSHSQOFZHQHF-RMKNXTFCSA-N 311.223 2.530 0 50 DFAA O=C(CSc1cn[nH]n1)Nc1cccc(C(F)(F)F)c1 4386587 ZYFHOGVEEPXXKR-UHFFFAOYSA-N 302.281 2.554 0 50 DFAA COCCn1ccnc1-c1nccn1-c1cccc2c1ccn2C 1857685397 VBIAVEAISOUPKJ-UHFFFAOYSA-N 321.384 2.874 0 50 DFAA CCN(CCc1nc2ccc(F)cc2[nH]1)Cc1cn(C)c(C)n1 1857690432 CFDOBOMVMIKPPK-UHFFFAOYSA-N 315.396 2.809 0 50 DFAA CC[C@@]12COC(=O)N1CCN(c1cc(C)nc3ccccc13)C2 1857695721 VMZFDMDUDFDFGW-GOSISDBHSA-N 311.385 2.964 0 50 DFAA CC(C)[C@@H]1CC(=O)c2nc(NC(=O)Cc3cccnc3)oc2C1 1875243493 JDRCNHDUAAZMSF-GFCCVEGCSA-N 313.357 2.652 0 50 DFAA CCN1CC[C@H](N(C)C(=O)CC[C@@H](N)c2ccccc2)[C@H](C)C1 408525477 BVOLCGBVDLOIJH-NXHRZFHOSA-N 317.477 2.655 0 50 DFAA CC(=O)Nc1nc(CN2CCC[C@@H]2c2cccnc2)cs1 331514862 FFPXXAJAPPEFAY-CQSZACIVSA-N 302.403 2.834 0 50 DFAA O=C(NCc1cccc(C(=O)O)c1)NC[C@H]1C[C@@H]1c1ccccc1 646162348 VAPWWYDVUJOWCR-IAGOWNOFSA-N 324.380 2.988 0 50 DFAA Cc1cnc(CN2CCNC[C@H]2c2cccc(Cl)c2)cn1 261683224 KDSHIBQYFRDZFO-INIZCTEOSA-N 302.809 2.585 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(F)c1F 265322341 NZEOMBSKASNHKW-BIMULSAOSA-N 309.312 2.823 0 50 DFAA COc1cc(C)ccc1C(=O)N[C@@H](C)c1ncc(C(=O)O)s1 910161059 RAJHAOWJEFFKMT-VIFPVBQESA-N 320.370 2.649 0 50 DFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1nncc2ccccc12 935123918 JYOPPLNLWKYWOG-OAHLLOKOSA-N 321.384 2.947 0 50 DFAA C[C@H](c1nc(-c2ccc(N3CCC(N)CC3)nc2)no1)C1CC1 843146807 ORDVGOBULPQBJM-NSHDSACASA-N 313.405 2.573 0 50 DFAA CSC[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 863948039 VSFWLDLNFPQCAH-SNVBAGLBSA-N 310.419 2.975 0 50 DFAA CC[C@H]1CN(C(=O)NCc2cnc(Cl)s2)C[C@@H](C)O1 864095425 LBEIBRJWOZEECM-BDAKNGLRSA-N 303.815 2.505 0 50 DFAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(c2ncon2)CC1 952995563 QBXLIYQURLCWTJ-MGPQQGTHSA-N 321.421 2.652 0 50 DFAA O=C1CC[C@H]2CN(C(=O)NCc3cccnc3)c3cccc1c32 1875265142 NMMVNWBDQRLWQX-ZDUSSCGKSA-N 307.353 2.872 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NCCc2c(C)noc2C)[nH]1 1875255356 HLGQPVLXRHISIM-UHFFFAOYSA-N 309.373 2.528 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOCC2CCC2)C1 888102909 UOLGYGBVILPGGE-CVEARBPZSA-N 307.438 2.605 0 50 DFAA C[C@@H](C[C@@H](C)C(=O)N1CC2CC1(C)C2)C(=O)N1CC2CC1(C)C2 2325766573 RSHFQAKXKAKKLM-OSZZDEOVSA-N 318.461 2.671 0 50 DFAA O=C(O)C[C@@H]1CN(Cc2cccc3[nH]ccc23)CC2(CCC2)O1 2325787202 JELFRHOOIYCYDJ-CQSZACIVSA-N 314.385 2.766 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1cncc(C2CC2)c1 2325875294 MNUJJZMGMBZZPI-UHFFFAOYSA-N 305.341 2.996 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)NC(=O)N1 178339 BQEMMMHYWKQXDM-OAHLLOKOSA-N 318.348 2.939 0 50 DFAA COc1cc(CO)ccc1OCC(=O)Nc1ccc(C)cc1 469764 XKRDJCYOQCBZQB-UHFFFAOYSA-N 301.342 2.513 0 50 DFAA Cc1c(C)c2cc(Cl)c(OCC(=O)N(C)C)cc2oc1=O 780110 CGHKHCAZCAJYST-UHFFFAOYSA-N 309.749 2.530 0 50 DFAA O=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 1123449 JQVIQJNDKGSTPV-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 2356157644 PDXLTVZOOAZTSJ-SHTZXODSSA-N 300.402 2.795 0 50 DFAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1csc(Br)c1 226193450 GEHTVDWCTCPDCK-PSASIEDQSA-N 317.252 2.853 0 50 DFAA COc1ccc(-c2nc(CN3CCC(N)CC3)c(C)o2)c(F)c1 67883772 LFTNIGRUJPRCEV-UHFFFAOYSA-N 319.380 2.721 0 50 DFAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cnn(C(C)C)c1)C2 67909763 XOWRLZQWYINTQY-UHFFFAOYSA-N 313.405 2.609 0 50 DFAA Cc1noc(C)c1[C@H]1CCCN1CC(C)(C)N1CCOCC1 67840112 WCYCEONRJXXYCU-OAHLLOKOSA-N 307.438 2.539 0 50 DFAA CCCc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)o1 65504965 FZVBBRKPDGJGOT-UHFFFAOYSA-N 320.824 2.998 0 50 DFAA Cc1cccc(F)c1NC(=O)N1CCOC[C@H]1[C@H]1CCCO1 350810304 HUJOJNNDNVMWGN-UONOGXRCSA-N 308.353 2.546 0 50 DFAA Cn1ccnc1-c1csc(NC(=O)CCc2ccccn2)n1 119107167 JHKFWOSZHZLWMU-UHFFFAOYSA-N 313.386 2.510 0 50 DFAA CCO[C@H](C)c1nnc(SCC(=O)O)n1-c1ccccc1C 65421661 BKEJKVOUPQGDSS-LLVKDONJSA-N 321.402 2.850 0 50 DFAA COc1c([C@H]2CCCN2C[C@@H](O)c2ccccc2)c(C)nn1C 229510201 MADYBCYGPJZGMX-HZPDHXFCSA-N 315.417 2.608 0 50 DFAA Cn1cc(CC(=O)Nc2ccnc(OCc3ccccc3)c2)cn1 252497714 QNVDDVMFGODYOC-UHFFFAOYSA-N 322.368 2.575 0 50 DFAA Cc1nccn1C[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 77460069 KAFNWGBGXVRUDD-CQSZACIVSA-N 323.400 2.620 0 50 DFAA CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1OCC 6699756 ZOBWNPLIMJUWGH-OCCSQVGLSA-N 307.390 2.781 0 50 DFAA CSCCCNCC1(N2CCOCC2)CCCCCC1 32547828 VGRRALNQUHSKQX-UHFFFAOYSA-N 300.512 2.754 0 50 DFAA O=C(CCc1cccnc1)NCC1(N2CCCC2)CCCC1 218857529 HQCFEGYCKKAETJ-UHFFFAOYSA-N 301.434 2.539 0 50 DFAA CC(C)COc1cncc(N2CCC[C@@H](c3cn[nH]c3)C2)n1 153270637 WFFYAXQQCFSJJK-CYBMUJFWSA-N 301.394 2.619 0 50 DFAA Cc1ccc(-c2ccnc(N(C)C[C@@H]3CCCN3C)n2)c(C)n1 71589500 ZZZQPOQWMWIOMQ-HNNXBMFYSA-N 311.433 2.686 0 50 DFAA O=C(c1ccc(Cl)s1)N1CCC(O)(c2cccnc2)CC1 218988672 CCFSFEBODMOURH-UHFFFAOYSA-N 322.817 2.920 0 50 DFAA C[C@@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C[C@@H](C)N1 154287644 BZLLKSAKQYBTNW-RKDXNWHRSA-N 304.287 2.667 0 50 DFAA CCn1ccc2ccc(CN3CCC[C@](O)(CN(C)C)C3)cc21 72428176 VNICUNHAXDHKMB-IBGZPJMESA-N 315.461 2.550 0 50 DFAA Cc1cnn(C)c1CN1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 365616239 KGLARMHSJCCPPQ-HOCLYGCPSA-N 319.836 2.590 0 50 DFAA NC(=O)c1cccc(NC(=O)C2(c3cccnc3)CCCC2)c1 367286502 LKQFUJASXHJEAK-UHFFFAOYSA-N 309.369 2.631 0 50 DFAA COc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)N)ccc1OC(C)C 237232733 HQPOQXNQSDRXSI-HIFRSBDPSA-N 320.433 2.824 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N[C@@H](CC(=O)O)c2cccs2)O1 237386818 DXDLBOPTNTVICT-UTUOFQBUSA-N 311.403 2.728 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 237955568 MIXKXGMOEMSJER-ZDUSSCGKSA-N 319.376 2.961 0 50 DFAA Cc1cc(OCc2ccccc2)nc(N2CCC[C@](C)(O)C2)n1 450415891 CXMVLLLILOOJQV-SFHVURJKSA-N 313.401 2.715 0 50 DFAA CC(C)(C)c1cc(CN2CCO[C@H](c3cccnc3)C2)[nH]n1 216366800 MLXNGYJQODBKHR-HNNXBMFYSA-N 300.406 2.676 0 50 DFAA Cc1cccc(OCCN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1 284818207 ODPMDEKKIAJMQK-IPMKNSEASA-N 319.445 2.626 0 50 DFAA Cc1cc(Cl)cc(C)c1NC(=O)N[C@@H]1CCc2ncnn2C1 133180867 RLQIXHVJFJUQDL-GFCCVEGCSA-N 319.796 2.685 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](N2CCCC2)C1 175528605 RREFYEUVUCDCDZ-HOCLYGCPSA-N 320.408 2.680 0 50 DFAA O=C(O)CCCNC(=O)CCn1ccc2c(Cl)cccc21 40313119 XLPCCHPDNHQFOB-UHFFFAOYSA-N 308.765 2.666 0 50 DFAA biogenic CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 195461649 BHUWYHGAMQJNGC-ROIMOXLHSA-N 309.365 2.643 0 50 DFAA CC(C)C1(CNC(=O)c2cccc(CN3CCCC3=O)c2)CC1 177406438 OBLUGFXRNPVGAT-UHFFFAOYSA-N 314.429 2.975 0 50 DFAA Nc1ncc(-c2ccc(C(=O)N3CCCCCCC3)cc2)cn1 426419959 ICNKUXGAGSHVTB-UHFFFAOYSA-N 310.401 3.132 0 50 DFAA CCn1nccc1CN(C)S(=O)(=O)c1ccc(C(C)C)cc1 20602160 ZREOZKXCXRYYTR-UHFFFAOYSA-N 321.446 2.847 0 50 DFAA O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CC12CCNCC2 96163046 JJNYQQULYYBIQP-AWEZNQCLSA-N 324.877 2.938 0 50 DFAA O=C(Cc1nc2ccccc2[nH]1)NCc1nc2ccccc2o1 426635772 ZHTAEPVJYXLLOW-UHFFFAOYSA-N 306.325 2.563 0 50 DFAA N[C@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1c1ccccc1 91725190 KFKQRZNQJKQFCA-MOPGFXCFSA-N 324.424 2.799 0 50 DFAA CC(C)[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1C(=O)O 91876919 JVYLFTOAHHFFMH-LSDHHAIUSA-N 301.386 2.533 0 50 DFAA CC[C@@](C)(NC(=O)c1ccc(C(=O)O)cc1)c1nccs1 237061673 DJFIUDPIQFPQIT-OAHLLOKOSA-N 304.371 2.897 0 50 DFAA COCCC1CCN(C(=O)[C@H](c2ccc(C)cc2)N(C)C)CC1 91434266 KYONYBHGHJDXDD-SFHVURJKSA-N 318.461 2.873 0 50 DFAA CC(C)C(=O)NCc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1 96179878 URDAFGMJOGUTLB-CQSZACIVSA-N 315.373 2.513 0 50 DFAA C[C@@H]1CCCCN1c1nc2nonc2nc1N1CCCC[C@H]1C 245256771 SJIYTUWDXKDJBT-VXGBXAGGSA-N 316.409 2.770 0 50 DFAA Cc1ccccc1CN(CCO)Cc1ncc(C)c(O)c1C 253536958 RKRSUEVAOPSYCL-UHFFFAOYSA-N 300.402 2.707 0 50 DFAA C[C@@H]1CC(=O)c2c(nc3c(cnn3-c3cccc(F)c3)c2N)C1 616590640 JEZGJEHZUQKHAR-VIFPVBQESA-N 310.332 2.907 0 50 DFAA CN(CCCOc1ccccc1Cl)C(=O)c1cncn1C 952984944 CZZCFTNZHRFLNX-UHFFFAOYSA-N 307.781 2.615 0 50 DFAA O=C(N[C@@H](c1ccccc1)c1nccs1)c1cnns1 171495379 KEATZEBRNBVJPZ-NSHDSACASA-N 302.384 2.514 0 50 DFAA CN(CC(=O)O)C1CCN(Cc2cccc3ccccc23)CC1 186675786 MMYWQUDCIFRHDW-UHFFFAOYSA-N 312.413 2.821 0 50 DFAA CCc1ccc([C@H]2COCCN2c2ncnc(CC)c2F)o1 301913461 CQTNODSHZGGEML-CYBMUJFWSA-N 305.353 2.911 0 50 DFAA O[C@@H](Cn1nc(C(F)(F)F)c2cnccc21)CC(F)(F)F 193005613 RINRFRIAUGADAZ-ZCFIWIBFSA-N 313.201 2.763 0 50 DFAA O=C1NCCCN1C1CCN(Cc2cc(Cl)cs2)CC1 194414694 MDTSTIACTDMCIU-UHFFFAOYSA-N 313.854 2.781 0 50 DFAA Cc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)ccc1Cl 659202361 NOKHEOXWZJHJEI-UHFFFAOYSA-N 321.764 2.917 0 50 DFAA CC(=O)N1CCC(Sc2nnc(-c3cccs3)n2C)CC1 585119012 MPNHZZAJJIFCBE-UHFFFAOYSA-N 322.459 2.647 0 50 DFAA CC(C)(NC(=O)Nc1ccccc1C(F)(F)F)c1cnn[nH]1 585119069 ORNZWMYLUUAWHI-UHFFFAOYSA-N 313.283 2.880 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCOc2ccccc2[C@H]1C 585113977 REKGDCCBNDSCAM-QLFBSQMISA-N 319.401 2.553 0 50 DFAA Cc1ccc(N[C@H](C)C[C@H]2CC(=O)N2)c(OC[C@H]2CCCO2)c1 1615605431 SIWQCVLXAFWFGL-QLFBSQMISA-N 318.417 2.632 0 50 DFAA CCc1nccn1C[C@H](C)NCCc1nc2cccc(C)c2[nH]1 1506407125 MNEJEUIDRQYAFI-AWEZNQCLSA-N 311.433 2.851 0 50 DFAA CN(C)c1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 533543 ZITDXIYFNFYZDQ-UHFFFAOYSA-N 322.397 2.981 0 50 DFAA Cc1cc(C)c(-c2nc([C@H](C)O)nn2CC(F)(F)F)cn1 1857679255 QNZZXTIHBALRQG-VIFPVBQESA-N 300.284 2.573 0 50 DFAA CCC[C@H](NC(C)=O)C(=O)Nc1nc2c(F)cccc2s1 1529144023 CTEXFAWZNKEWNE-JTQLQIEISA-N 309.366 2.679 0 50 DFAA CCOC(=O)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 400497 GFWHHRPRVZQAKG-UHFFFAOYSA-N 312.174 2.916 0 50 DFAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(CC3CCC3)C1)CC2 1704316663 ZGAXSLTUHIFFBL-SFHVURJKSA-N 300.450 2.623 0 50 DFAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)cn1 456468 ACIWBHNDIAHSSP-GQCTYLIASA-N 307.762 2.854 0 50 DFAA COc1cc(C)c(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1C 1772809654 BUYJSAJCVBKZOF-ZBFHGGJFSA-N 302.418 2.507 0 50 DFAA CCCCN(C)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002359 WVXNALDOHJZCEH-UHFFFAOYSA-N 324.446 2.624 0 50 DFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN=C1c1ccccc1 19619221 AIIRVHVWOBLJOH-UHFFFAOYSA-N 320.801 2.791 0 50 DFAA COc1ccc(C[C@H](O)CC(=O)c2ccc(OC)cc2)cc1 201609360 GXYRDBNLTAFKPV-HNNXBMFYSA-N 300.354 2.880 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)/C(C)=C\c2ccccc2)C1 4952366 QULKEWYHXBVNPY-OBEJXRGXSA-N 301.386 2.892 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1C 4973385 SUDCSVVOHPAOBS-AWEZNQCLSA-N 309.369 2.690 0 50 DFAA CCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3 4387733 NDCFHOOZJXDVNN-UHFFFAOYSA-N 302.326 2.532 0 50 DFAA O=C(O)c1ccc(CNC(=O)[C@H]2CSc3ccccc32)cc1 238121237 GUIQIVUHKGADEI-AWEZNQCLSA-N 313.378 2.891 0 50 DFAA O=C(O)c1cc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1O 1118974580 MGRGGBWPFIZEDA-PPKCKEKNSA-N 311.284 2.710 0 50 DFAA COc1nscc1C(=O)N1CCSc2ccccc2C1 1875300776 QAICJNNVDPAMMH-UHFFFAOYSA-N 306.412 2.900 0 50 DFAA CC1(C)CC[C@H](C(=O)O)N1C(=O)c1cccc2scnc12 1875318974 NQJIVOQMUKKVIG-SNVBAGLBSA-N 304.371 2.764 0 50 DFAA O=C(N[C@@]12CCC[C@]1(F)CNC2)c1cc[nH]c1C1CCCC1 1875406233 ZUWPEUBDGUOUGQ-DLBZAZTESA-N 305.397 2.636 0 50 DFAA C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)Cn1cncn1 885243028 VTDCHJNTZBWPFI-AWEZNQCLSA-N 324.837 2.617 0 50 DFAA O=C(CCc1cccc(O)c1)N1CCC(CN2CCCC2)CC1 1775997964 QDXUDRBNIQWTBD-UHFFFAOYSA-N 316.445 2.659 0 50 DFAA Cc1ccc(-n2cc(CN3CC[C@@H](c4cnn[nH]4)C3)c(C)n2)cc1 2325775441 JNRUSWAEDCBXNN-OAHLLOKOSA-N 322.416 2.597 0 50 DFAA O=c1ccnc2n(CC[C@H](c3ccccc3)C(F)F)ccn12 2325777460 CSZTZBOJZBLMIM-CYBMUJFWSA-N 303.312 2.935 0 50 DFAA CCCn1nc(C)cc1CNCCN(CC)CCC(F)(F)F 2325783915 KRWWUWKBRKOUTR-UHFFFAOYSA-N 320.403 2.965 0 50 DFAA CCn1cc(Cl)c(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1 205168 DAKQPPORQOMJAO-UHFFFAOYSA-N 320.780 2.791 0 50 DFAA COc1ccc([C@@H]2C[C@@H](c3cccnc3)Nc3ncnn32)cc1 221723 ILEGUXVVQLBJKW-HOTGVXAUSA-N 307.357 2.828 0 50 DFAA CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1 466904 SXNGLXQRKKUUIA-UHFFFAOYSA-N 311.403 2.728 0 50 DFAA COC(=O)C(CCCCOc1ccc(Cl)cc1)C(=O)OC 2822149 LXISKLOTNQPRMI-UHFFFAOYSA-N 314.765 2.851 0 50 DFAA CCCN1Cc2nnc(-c3ccc(F)c(F)c3)n2[C@H](C)C1=O 2356141832 RJSOVECUKSWQJC-SECBINFHSA-N 306.316 2.537 0 50 DFAA COc1ccccc1CC(=O)N[C@H](C)c1ccc2c(c1)OCO2 6741697 HTUJHQHSCJPCEL-GFCCVEGCSA-N 313.353 2.844 0 50 DFAA CC(C)(C)OC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 6743239 YENPYEPLMXORII-UHFFFAOYSA-N 300.399 2.864 0 50 DFAA O=C(NC1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 9236847 JCINLZZWBYPUNV-LLVKDONJSA-N 306.793 2.752 0 50 DFAA COC1CCC(C(=O)N(C/C=C/c2ccccc2)CCO)CC1 55414413 CTNPHZZIZUFVDL-VMPITWQZSA-N 317.429 2.726 0 50 DFAA CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 22454627 QYAPSDNRSTYETO-UHFFFAOYSA-N 323.440 2.963 0 50 DFAA COCc1c(-c2nc(C3CC3)nn2-c2ccccn2)noc1C 65434940 KELVAWCDALCCPH-UHFFFAOYSA-N 311.345 2.650 0 50 DFAA COCC[C@@H]1CN(Cc2c(F)ccc(OC)c2Cl)CCO1 65387461 IGPVQXSJJGZZOJ-LLVKDONJSA-N 317.788 2.725 0 50 DFAA Cc1cc(CN2CCC[C@H]2c2ccccn2)c(C)n1-n1cnnc1 67513996 SSEKMXQEGUJBNL-SFHVURJKSA-N 322.416 2.740 0 50 DFAA Cc1cc(C[C@H](C)Nc2cc(N3CCCCC3)ncn2)[nH]n1 65455522 LTVNAMKDWYEIBV-LBPRGKRZSA-N 300.410 2.542 0 50 DFAA CC(C)n1ccnc1CN1CCC[C@H](C(=O)c2ccccn2)C1 67674258 YQUAJTXONFCYDP-HNNXBMFYSA-N 312.417 2.954 0 50 DFAA Cc1nnc(-c2cccc(NC(=O)c3ccc(O)nc3C)c2)o1 118991922 FXORZBNOJIWBFW-UHFFFAOYSA-N 310.313 2.706 0 50 DFAA COC(=O)c1ccc(OCCOc2ccc(C=O)cc2)cc1 8730010 SYDWOFSBEWXFKQ-UHFFFAOYSA-N 300.310 2.744 0 50 DFAA COC[C@H](O)CN[C@H](C)CC(C)(C)c1c[nH]c2ccccc12 252485329 GRHZXVNRQAUTOT-ZIAGYGMSSA-N 304.434 2.821 0 50 DFAA COc1cc2c(N3CC[C@@H](C)[C@@H](OC)C3)ncnc2cc1F 252572023 YUMLZSYLPSSBDH-BMIGLBTASA-N 305.353 2.639 0 50 DFAA Cn1cnc2c(C(=O)NC3(c4ccc(F)cc4)CC3)ccnc21 354496353 OZARDMXHSXYDLH-UHFFFAOYSA-N 310.332 2.527 0 50 DFAA O=C(N[C@@H]1CC(=O)c2cc3c(cc21)OCO3)c1cccs1 1384216 YRPUJJVRYIRYCJ-SNVBAGLBSA-N 301.323 2.534 0 50 DFAA COc1cc(F)c(CN(Cc2cnn(C)c2)C2CC2)cc1OC 215198830 HXKRAORWJLTUJI-UHFFFAOYSA-N 319.380 2.741 0 50 DFAA COCC1(CNC(=O)[C@H](O)c2ccccc2Cl)CCCC1 218845013 RYIFCBXQHMDHDG-CQSZACIVSA-N 311.809 2.696 0 50 DFAA CCOC(=O)C(C(=O)OCC)c1ccc(Br)cc1 36047156 NEEVEYWBDFTMKS-UHFFFAOYSA-N 315.163 2.659 0 50 DFAA CC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc3ccccc3n1)C2 219014917 YMKMPBDLSNDMGV-LJQANCHMSA-N 322.412 2.891 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@H]([C@H](C)N)C1 237115027 KKXSZCSXNKXIOF-YTLDMCMYSA-N 316.445 2.770 0 50 DFAA Cn1nc(C(=O)N2CCC[C@H]2c2cccnc2)c2c1CCCC2 333564050 ONAYNVVSUXISDZ-HNNXBMFYSA-N 310.401 2.671 0 50 DFAA CCN(CC)Cc1cc(C(=O)N2CC[C@H](COC)C2)c(C)o1 219886972 XRZUOAFUALYMKB-AWEZNQCLSA-N 308.422 2.538 0 50 DFAA CCn1nc(C)c(NC(=O)c2cccc3c2OCCO3)c1C 172820602 NWEYNZZVWZIUBZ-UHFFFAOYSA-N 301.346 2.543 0 50 DFAA Cc1ccc(C2=NS(=O)(=O)N[C@@H]2c2ccc(C)cc2)cc1 71772717 FNOHWXWMSPUXPW-OAHLLOKOSA-N 300.383 2.682 0 50 DFAA Cn1cc(N2CCC[C@@H](Nc3ccc4[nH]ccc4c3)C2=O)cn1 174089180 PEPIXUHKTRWVBX-MRXNPFEDSA-N 309.373 2.509 0 50 DFAA C[C@@H](O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 41149939 GQINXQVKBAHZIN-GFCCVEGCSA-N 324.384 2.831 0 50 DFAA biogenic Cc1ncccc1Oc1ncnc(N2CCCC[C@@H](N)C2)c1C 82109331 WWUALCFWAVADSQ-CQSZACIVSA-N 313.405 2.598 0 50 DFAA CCO[C@H]1CN(Cc2ccc(-c3ccccc3)s2)C[C@@H]1O 223572852 JWVHOHASMNFUJY-HOTGVXAUSA-N 303.427 2.997 0 50 DFAA Cc1nnc(N2CC[C@]3(C2)OCc2ccccc23)n1CC1CC1 612558341 KQPRLCRSSCQIGF-GOSISDBHSA-N 310.401 2.632 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2cccs2)C1 177819157 NCVSINGWGHBZPZ-CQSZACIVSA-N 319.430 2.621 0 50 DFAA O=C(O)c1cccc(OCCNC(=O)[C@@H]2CC23CCCCC3)c1 426698151 CBLBDHZZZHTMBP-HNNXBMFYSA-N 317.385 2.850 0 50 DFAA Cc1cc(C)n(CCCc2ncnn2CCc2ccccc2)n1 96140295 LAAXQQUTSSSIEF-UHFFFAOYSA-N 309.417 2.967 0 50 DFAA COCCC[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 91817800 RPEQIWPJIJPOKF-INIZCTEOSA-N 305.418 2.868 0 50 DFAA CC[C@]1(C(=O)O)CCCN(Cc2ccc(OC)c(COC)c2)C1 91988269 ZBKHDDVLSVBXKS-SFHVURJKSA-N 321.417 2.918 0 50 DFAA COC[C@@H]1CCN1C(=O)c1csc(-c2ccc(F)c(F)c2)n1 294226200 FMWJXGDTSUQKKH-JTQLQIEISA-N 324.352 2.949 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)c1nn(C)c(C)c1Cl 95374836 IHNSYHXPHAVWSD-GFCCVEGCSA-N 313.829 2.803 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@]1(C)C(=O)O 244866527 VXSRLPNDCPCUTJ-BQNZHIODSA-N 301.342 2.547 0 50 DFAA O=C(NC1CCC2(CC1)CC2(F)F)c1cc(F)cnc1O 622175301 DQRTXJQGEBXBBS-UHFFFAOYSA-N 300.280 2.624 0 50 DFAA Cc1cc(C)c(-n2cccn2)c(CN2CCN3CCC[C@H]3C2)c1 244795304 RDPUJGYHFOPFNW-SFHVURJKSA-N 310.445 2.769 0 50 DFAA CNc1nc(C)cc(C(=O)N[C@H](C2CCCC2)C2CCC2)n1 622737381 YTQHGVYEONSWBA-OAHLLOKOSA-N 302.422 2.915 0 50 DFAA CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 625298551 QTVZDZGHEBBKRY-CQSZACIVSA-N 301.434 2.984 0 50 DFAA O=C(C[C@H]1CCCCO1)N1CCNC[C@H]1c1ccccc1Cl 262058562 VSCQAECLVGESNH-CJNGLKHVSA-N 322.836 2.772 0 50 DFAA Cc1nc([C@@H](C)NC(=O)c2nn(C)c3c2CCCC3)c(C)s1 584890091 ZTZJIJRVGRPPRP-SECBINFHSA-N 318.446 2.863 0 50 DFAA CC(C)n1c(CNC(=O)N2CCSCC2)nc2ccccc21 584891590 QEFLNPMIWWTLIM-UHFFFAOYSA-N 318.446 2.876 0 50 DFAA CC(C)(C)c1nc(C(=O)N2CC3(CCCC3)[C@H]2C(=O)O)cs1 585134515 XLYAYIGEBWHNOW-LLVKDONJSA-N 322.430 2.910 0 50 DFAA CC(=O)N[C@H](CC(C)C)c1ncnn1-c1ccc(F)c(F)c1 670469525 FTLLDGVYJJCCSA-CQSZACIVSA-N 308.332 2.769 0 50 DFAA O=C(Nc1cccc(CO)n1)[C@@H]1C[C@@]12CCCc1ccccc12 170088558 UFWFDMRHMMXPMZ-QFBILLFUSA-N 308.381 2.807 0 50 DFAA CCc1cccc([C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 170618118 RQHOCUIMBOCQJB-OAHLLOKOSA-N 318.398 2.953 0 50 DFAA CCNC(=O)c1ccc(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)nc1 170604210 CFRRIINQMCFOIE-MEDUHNTESA-N 317.364 2.504 0 50 DFAA Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@H](CCO)c1ccccc1 305101839 CCLSDECNAOBGRN-MLGOLLRUSA-N 316.401 2.977 0 50 DFAA Cc1ccc2c(c1)[C@@H](NC(=O)N(CCO)CC(F)F)CCC2 192811458 OMPZIQLMMWRMEP-AWEZNQCLSA-N 312.360 2.641 0 50 DFAA O=C(c1nn[nH]c1-c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 193373260 NNMLYUFXULMPFP-NSHDSACASA-N 324.306 2.886 0 50 DFAA CC[C@@H](C)OCC(=O)Nc1ccccc1[C@H](O)c1ccccn1 585087428 GDUQJEGBXOVBEP-ACJLOTCBSA-N 314.385 2.917 0 50 DFAA CC(C)(C)c1ncc(C(=O)N2CCOCc3ccccc32)cn1 585083199 HUHQAOUUYVSGBP-UHFFFAOYSA-N 311.385 2.951 0 50 DFAA COc1ccc(Cl)cc1Cc1noc([C@@H]2C[C@H](N)[C@H]3C[C@H]32)n1 1615057496 HMXHVPFQARHNGG-XQHKEYJVSA-N 319.792 2.773 0 50 DFAA Cc1cnc(C)c(N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)n1 215558948 IWUIKYPNHCSWAA-MJGOQNOKSA-N 311.429 2.913 0 50 DFAA CCC(=O)N1CCC2(CC1)OCCc1cc(OC)c(OC)cc12 1704340026 CNZKZLQSEDXBFG-UHFFFAOYSA-N 319.401 2.504 0 50 DFAA COc1nc(NCc2c[nH]nc2-c2ccc(F)cc2)ncc1F 1772700736 DGZYYDPNQHECBG-UHFFFAOYSA-N 317.299 2.766 0 50 DFAA Cn1nccc1CCNC(=O)c1c(Cl)ccc2ncccc12 1775980833 CDSDDGJPCBTQKW-UHFFFAOYSA-N 314.776 2.594 0 50 DFAA O=C(CSCC(=O)NC1CCCC1)Nc1ccc(F)cc1 5610390 FCPJXSBWOSFNOQ-UHFFFAOYSA-N 310.394 2.556 0 50 DFAA CC(C)(C)OC(=O)N[C@H](Cc1cnc2ccccc2c1)C(=O)O 5976561 ZJIPRFVJGMPMPL-CQSZACIVSA-N 316.357 2.755 0 50 DFAA CN1CCC[C@]2(CCN(Cc3cccc4ncccc34)C2)C1=O 12430931 CUOBIGQLENYZMK-LJQANCHMSA-N 309.413 2.679 0 50 DFAA CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@H]1CCCO1 16580540 HBYXOTFHLREUDH-SJORKVTESA-N 303.402 2.628 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C 19909351 TXOPYSIJHTWWQT-UHFFFAOYSA-N 314.410 2.755 0 50 DFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F 4309840 NKZCHOBOFQXPSX-RDFMZFSFSA-N 304.321 2.573 0 50 DFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1ccc2ccccc2c1 5740260 RIUVSZOAUGVBAX-LBPRGKRZSA-N 304.367 2.570 0 50 DFAA CCn1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 6715573 GFWMDZOPIBFGNV-UHFFFAOYSA-N 318.808 2.519 0 50 DFAA O=C(NCc1cc(F)ccc1F)N(CCO)Cc1ccccc1 303997188 PNCMGVLRBLWYBY-UHFFFAOYSA-N 320.339 2.669 0 50 DFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1c[nH]c2ccccc12 12649515 XMJAVOYAYRHTGQ-INIZCTEOSA-N 308.337 2.594 0 50 DFAA in-vitro Cc1nc(CC(=O)N2CCC[C@H]2c2ccccc2Cl)n[nH]1 666837283 PVSWOZORMLTONZ-ZDUSSCGKSA-N 304.781 2.673 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 249803600 ASWKPKOETKLQGU-HOTGVXAUSA-N 324.428 2.843 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CCCC[C@@H]1C(=O)O 136493366 HUIYRKDUCCJADI-GXTWGEPZSA-N 305.374 2.655 0 50 DFAA CN(CC(=O)O)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 584799218 QIZAPFVXVOZTRH-UHFFFAOYSA-N 312.797 2.635 0 50 DFAA CS(C)(=O)=NC(=O)CSc1cccc(Br)c1 585119061 OHDBNVASHUGAAB-UHFFFAOYSA-N 322.249 2.795 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)Nc1cccc2ocnc12 497034880 FDXOQPULVVHIIK-UHFFFAOYSA-N 305.334 2.681 0 50 DFAA Cn1ccc(C(=O)N2CCC(c3nc(C4CCC4)no3)CC2)c1 827064029 DMUUSINFPNZIDR-UHFFFAOYSA-N 314.389 2.695 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1cc(Cl)c(OC)c(Cl)c1 237122195 BHLXNPBENROCLP-JTQLQIEISA-N 317.216 2.826 0 50 DFAA CC[C@@H]1COC[C@@H]1N=c1nc(-c2ccncc2)[nH]c2ccccc12 1875267480 DAJMVSCYZXJPAS-DYVFJYSZSA-N 320.396 2.951 0 50 DFAA C=CC(=O)N(Cc1c(C)cccc1C)[C@@H]1CCc2nc(C)nn2C1 1875381980 MSIBARVUYVKSHS-MRXNPFEDSA-N 324.428 2.733 0 50 DFAA CNC(=O)NC[C@H]1CCCCN1Cc1nc(C(C)(C)C)cs1 879336141 GMOOQSXFCOLWSP-GFCCVEGCSA-N 324.494 2.724 0 50 DFAA Cc1cc(S(=O)(=O)NCc2ccncc2)c(C)cc1Cl 6156651 AYMBJIUSTCCILL-UHFFFAOYSA-N 310.806 2.830 0 50 DFAA c1cnc2nc(Nc3ccc(O[C@H]4CCOC4)cc3)ncc2c1 2325822859 SBSRGCYGABBDFM-HNNXBMFYSA-N 308.341 2.936 0 50 DFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)C)cc1 228115 STMGOBCLEKBNFQ-AWEZNQCLSA-N 304.415 2.776 0 50 DFAA Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2OC3)cc1 390138 LBXZQWKATJTKFU-QGZVFWFLSA-N 320.327 2.889 0 50 DFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1ccccc1 406591 KOCOKYLTDXXWMI-OAHLLOKOSA-N 301.342 2.569 0 50 DFAA O=C(CSc1nnc(-c2ccco2)o1)Nc1nccs1 428219 WQODEGHZMRHARO-UHFFFAOYSA-N 308.344 2.517 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1 432087 ISYWSKDTMVQIRH-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA C[C@@H](c1nc(-c2cccs2)no1)N(C)CCn1cccn1 111282905 WXJSKDXWBIMDRP-NSHDSACASA-N 303.391 2.688 0 50 DFAA CC(C)CCNC(=O)C1CCN(C(=O)c2ccccc2)CC1 9340738 WHWARZQUVIMISN-UHFFFAOYSA-N 302.418 2.701 0 50 DFAA COCCN(Cc1sccc1C)C(=O)COc1cccnc1 55153225 PXDKUVCFUKZVQM-UHFFFAOYSA-N 320.414 2.506 0 50 DFAA CC(C)CC[C@@H](c1ccccc1)N(C)C(=O)C1(C(N)=O)CC1 55255424 BAHISENWDJKNDV-HNNXBMFYSA-N 302.418 2.888 0 50 DFAA Cc1cc(C)n(CCNc2cc(Cl)c3cc[nH]c3n2)c(=O)n1 72151680 JDMMSIIELVSRQB-UHFFFAOYSA-N 317.780 2.502 0 50 DFAA Cc1nc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)co1 65394963 RIJOBSXUUGXSGD-NSHDSACASA-N 314.370 2.763 0 50 DFAA CCCN1C[C@@H](NCc2cnc(-c3cccc(C)c3)nc2)CC1=O 63847117 NGFOYORTHJIUQK-KRWDZBQOSA-N 324.428 2.553 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](C)NC(=O)c1cccc(F)c1 20292868 AKABRLQNRPRCPZ-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA OCC[C@H]1CN(Cc2ccc(F)cc2F)CCN1C1CCCC1 20513885 JCBOGDHWBYIXOT-KRWDZBQOSA-N 324.415 2.776 0 50 DFAA CCOc1cccc(CN2CCCN(C(=O)C3CC3)CC2)c1 119063924 JCFBPDDKIBFUNQ-UHFFFAOYSA-N 302.418 2.530 0 50 DFAA Cn1cc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cn1 253427555 NFEYLOUFXFGXHA-IBGZPJMESA-N 309.413 2.930 0 50 DFAA Cc1cc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c(C)o1 73306222 IVAOMDADHJWQDU-UHFFFAOYSA-N 315.373 2.649 0 50 DFAA Cc1nccn1CCN(C)Cc1nn(C)c2cccc(Cl)c12 216170876 RZLDOZFQDKQXLF-UHFFFAOYSA-N 317.824 2.864 0 50 DFAA COc1ncc(C)cc1NC(=O)C[C@H](C)c1c(C)n[nH]c1C 156714436 OQRYLQIPBGMRML-JTQLQIEISA-N 302.378 2.871 0 50 DFAA c1ccc([C@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72130888 NLYPMGMWRQHQMQ-KZNAEPCWSA-N 306.413 2.543 0 50 DFAA CCc1occc1C(=O)N1CC(C)(C)O[C@@]2(CCCOC2)C1 374015936 AAYNRRFLTZGQPC-KRWDZBQOSA-N 307.390 2.642 0 50 DFAA CC(C)(CCCc1ccccc1)C(=O)N1CC[C@H](C(=O)O)C1 236586854 DHLUCDUNCNRXHV-HNNXBMFYSA-N 303.402 2.969 0 50 DFAA CC(C)CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O 77322265 UNVZRNZLWZLSJO-UHFFFAOYSA-N 308.422 2.646 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](c2nc[nH]n2)C1 377983457 GFFFGVKQMLRRHT-ZDUSSCGKSA-N 323.400 2.543 0 50 DFAA COc1ccc(CN2CCC(c3cnc[nH]3)CC2)cc1OC 378341585 LOUMTHLVHWNCCL-UHFFFAOYSA-N 301.390 2.807 0 50 DFAA Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](C)CC(=O)O)s1 263082067 LPJLWMGAXRUIKB-VIFPVBQESA-N 304.371 2.712 0 50 DFAA Cc1cc2cc(CNC(=O)N3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)ccc2[nH]1 334093691 PTQCITQSROZJGU-CWLKWCNXSA-N 323.396 2.571 0 50 DFAA Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC(=O)O 40288037 BYLNFUZRPPHCRM-UHFFFAOYSA-N 310.762 2.586 0 50 DFAA Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 47977848 ZFINQSHGIFCOTF-CQSZACIVSA-N 303.406 2.636 0 50 DFAA CN1CCc2ncnc(Oc3c(F)c(F)cc(F)c3F)c2C1 241439903 NNHVBCMDPPRKJI-UHFFFAOYSA-N 313.254 2.813 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](N(C)CC(=O)O)CC2)o1 263492797 IYBJTJOAWIJGLU-YCPHGPKFSA-N 320.433 2.774 0 50 DFAA O=C(NCCOc1ccccc1Cl)N1CCC(F)CC1 426584861 SMCSEZJLKKZXGJ-UHFFFAOYSA-N 300.761 2.862 0 50 DFAA CCOC(=O)c1cnc2c(cnn2C)c1NCCc1ccccc1 20390276 FZQUOIKUYLZAAV-UHFFFAOYSA-N 324.384 2.800 0 50 DFAA O=C(c1nc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1 426707323 AVNKDFRFKLHHIV-UHFFFAOYSA-N 324.359 2.664 0 50 DFAA NC(=O)c1c(F)cccc1C[C@H]1CC(=O)N(c2ccccc2)C1 223757411 OVKZKQGTUVWENZ-LBPRGKRZSA-N 312.344 2.520 0 50 DFAA COC[C@]1(O)CCN(C(=O)Nc2cccc(C)c2C)CC1(C)C 91586305 BRHGASBSKURSFU-GOSISDBHSA-N 320.433 2.945 0 50 DFAA Cc1nn(C)c2nc(NC[C@H](CO)Cc3cccs3)sc12 96160961 RKJAWGFHSFRHPA-SNVBAGLBSA-N 322.459 2.663 0 50 DFAA CCc1nnc2sc(-c3ccc(Br)c(N)c3)nn12 234197184 CRJZVZCVYGGMEO-UHFFFAOYSA-N 324.207 2.760 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@]2(CCOC2)C1 91829242 YEAAUGRXTDCNFK-INIZCTEOSA-N 302.399 2.939 0 50 DFAA Cc1cnn(-c2ccncc2NC(=O)[C@H](C)n2nc(C)cc2C)c1 179278475 UOOGQKXNWZOIKC-AWEZNQCLSA-N 324.388 2.589 0 50 DFAA CCCc1nnc(N2CCC[C@@H](C(=O)c3ccccn3)C2)o1 95364610 FBPKYOQECYHMFY-GFCCVEGCSA-N 300.362 2.516 0 50 DFAA COCC1(C(=O)N2CCC[C@@](CO)(CC=C(C)C)C2)CCC1 91908031 OIHSOYPAZNESPH-QGZVFWFLSA-N 309.450 2.761 0 50 DFAA CC(C)c1cc(NCCc2nc(-c3ccccn3)no2)ncn1 95370933 KYTCJMDHQJDLGG-UHFFFAOYSA-N 310.361 2.700 0 50 DFAA C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)C1=CCCCC1 91427279 PXYNQEWSYCOYCY-ZDUSSCGKSA-N 304.434 2.640 0 50 DFAA CCc1nc(C)c(C(=O)NCc2ccccc2-n2ccnc2)o1 345294877 COOKCYPSWNCDON-UHFFFAOYSA-N 310.357 2.661 0 50 DFAA CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H](CN)C1 299739529 PSBOWVZTYPMRRE-HOCLYGCPSA-N 304.434 2.775 0 50 DFAA CCc1nc(C)c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)o1 293459146 WNBIUBPDZOWYLF-OAHLLOKOSA-N 315.417 2.887 0 50 DFAA OCC[C@H](CN[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 585134893 OIANEYHZGCFXAG-GUDVDZBRSA-N 302.462 2.759 0 50 DFAA CO[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3s2)C1 906913155 IMAZFTOZANDCCU-LBPRGKRZSA-N 311.428 2.701 0 50 DFAA Nc1nc(CCCNC(=O)[C@@H]2CCc3ccccc32)cs1 670449832 VZASLCHRLGGGKY-CQSZACIVSA-N 301.415 2.504 0 50 DFAA CCn1nc(C)c([C@@H](C)NS(=O)(=O)CC2CCCC2)c1C 670450917 FSFWESLKYOUGMH-GFCCVEGCSA-N 313.467 2.690 0 50 DFAA Cc1nc([C@@H]2CCCN(c3nc(-c4ccccc4)no3)C2)n[nH]1 670451141 QZHQPXPXPUNNTO-CYBMUJFWSA-N 310.361 2.547 0 50 DFAA Cc1c[nH]ccc1=NCCNCc1c(Cl)cncc1Cl 952988244 PEDVJLWHETUQKA-UHFFFAOYSA-N 311.216 2.715 0 50 DFAA Cc1cc(NC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)no1 185228884 UBWOYDYDRVUQSV-LBPRGKRZSA-N 320.418 2.955 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2cc(C)cc(C)n2)C1 222320890 WRZZXFSEDOMYMO-QLEMLULZSA-N 323.462 2.900 0 50 DFAA Cc1cc(C)cc(CCNC(=O)[C@H]2CC(c3ccncc3)=NO2)c1 170611196 CPJZTQIGQJJAAT-GOSISDBHSA-N 323.396 2.550 0 50 DFAA O=c1cc(C[S@](=O)CCCC2CCCC2)nc2ccccn12 170610916 JJSKCNFXNXZCNI-JOCHJYFZSA-N 318.442 2.914 0 50 DFAA O=C(NC[C@H](CCO)c1ccccc1)NC1Cc2ccccc2C1 186706354 FBNGUUIBTLQWTH-SFHVURJKSA-N 324.424 2.619 0 50 DFAA Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3CCC(C)(C)O3)nc12 187316529 FOSYIGABGMBAMJ-ZDUSSCGKSA-N 315.417 2.878 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc1F 188412261 FQPMYLUQMGKSCB-INIZCTEOSA-N 306.381 2.716 0 50 DFAA CCO[C@@H]1C[C@](O)(CN[C@@H](C)c2cnn(C(C)C)c2)C1(C)C 189426804 GKRJEYQZXLWREH-LXZKKBNFSA-N 309.454 2.681 0 50 DFAA Cc1cccnc1CN(C)[C@@H]1CCN(Cc2ccccc2)C1=O 191739602 ZUBSVVYMTFRDHJ-GOSISDBHSA-N 309.413 2.623 0 50 DFAA C[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccnn1C 192651614 ZBHHANXBJZUOKP-SNVBAGLBSA-N 314.311 2.607 0 50 DFAA C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)CCc1ccon1 668028697 GXGGHXSLMZJDPX-CJNGLKHVSA-N 300.358 2.596 0 50 DFAA CCOc1cccc(CNC(=O)Cc2cccnc2Cl)c1 585120801 LVMQQBWZCSKGTL-UHFFFAOYSA-N 304.777 2.993 0 50 DFAA Cn1cc(CNc2ccc(C(=O)N[C@H]3CC=CCC3)cc2)cn1 585129506 MBYGEAUQIILPAP-KRWDZBQOSA-N 310.401 2.871 0 50 DFAA CN=[S@@](=O)(c1ccc(NC(=O)NC2(C)CCC2)cc1)N(C)C 1615614761 RDXOWAWETWJTSK-QFIPXVFZSA-N 324.450 2.684 0 50 DFAA Cc1c(Cl)cccc1NC(=O)NC[C@H]1CCCN(C(N)=O)C1 1616035093 QQORHVYLZCJBPK-LLVKDONJSA-N 324.812 2.561 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCCc2nc3c(s2)CCC3)n1 1506405129 IMPAOPJVZQEWAP-GFCCVEGCSA-N 304.463 2.666 0 50 DFAA CN(Cc1nnc(-c2cccnc2)o1)C1Cc2ccccc2C1 1506419243 XTKKNGYQCBJVTF-UHFFFAOYSA-N 306.369 2.731 0 50 DFAA CCc1cnc(C)nc1NCC1(O)C2CC3CC(C2)CC1C3 1529141871 RECCUQKMQMCYNI-UHFFFAOYSA-N 301.434 2.947 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Cc1ccccc1O)C2 1704299750 RZDQQJLGWFNUCQ-AEFFLSMTSA-N 303.402 2.742 0 50 DFAA CCOc1cc(Br)c(/C=C/C(=O)O)cc1OC 2899942 NCTZWQDMSMBMPI-SNAWJCMRSA-N 301.136 2.954 0 50 DFAA in-vitro CSCC[C@H](CO)NC(=O)c1cc(Cl)cc(Cl)c1 154742192 MQGJGAMLKVCRLT-LLVKDONJSA-N 308.230 2.837 0 50 DFAA COc1cccc(N2CCC(N3CCC[C@H]3C3(O)CC3)CC2)c1 1772808866 DAKAVJPMJLVSCP-SFHVURJKSA-N 316.445 2.653 0 50 DFAA O=C(O)CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 2385224 DBTWXHSPFJCYJS-JXMROGBWSA-N 311.746 2.851 0 50 DFAA CC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1 16580246 IJUJRCUKDSWSBE-HNNXBMFYSA-N 310.825 2.708 0 50 DFAA COc1ccc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1 1468130 NSVSDYCWRPBVAF-RVDMUPIBSA-N 310.378 2.957 0 50 DFAA Cc1cc(C)c(NC(=O)CN2CCC[C@@]2(C)C(=O)O)c(Cl)c1 315933386 HXRKNBBATDXCRD-INIZCTEOSA-N 324.808 2.834 0 50 DFAA CCCCc1noc(Cn2c(=O)n(CCC)c3ccccc32)n1 109526185 ORDNATSWXNVQET-UHFFFAOYSA-N 314.389 2.987 0 50 DFAA CCc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)cc1 630283740 UDZNZJVPTRIJPX-PMPSAXMXSA-N 301.386 2.964 0 50 DFAA CC(=O)Nc1cc(NC(=O)C2CCC(O)CC2)ccc1Cl 330957136 CMXUCBPPEDCXGX-UHFFFAOYSA-N 310.781 2.788 0 50 DFAA Cc1noc(-c2ccccc2)c1NC(=O)N1C[C@@H](O)C[C@@H](C)C1 333486862 IGBRRHOBUPWCHG-RISCZKNCSA-N 315.373 2.885 0 50 DFAA COC(=O)[C@H]1CC12CCN(C(=O)c1ccoc1C1CC1)CC2 241515624 OGOMJFKVBXMKHI-CYBMUJFWSA-N 303.358 2.572 0 50 DFAA Cc1cc(Cl)ccc1C(=O)Nc1c(C(N)=O)n[nH]c1C(C)C 457112821 HBGVKEXWJQZLOC-UHFFFAOYSA-N 320.780 2.846 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 133774648 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COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1 168627 DZOFQFDDXFJWKK-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA Cc1cc(C)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 208860 OBZXJGJTQFWIGI-UHFFFAOYSA-N 322.364 2.847 0 50 DFAA OC[C@@H]1CCCN(Cc2ccc(F)c(Br)c2)C1 211677 HKOZFWCLALXQAN-LLVKDONJSA-N 302.187 2.793 0 50 DFAA CN1CCC[C@H]1CCNC1CCN(CCc2ccccc2)CC1 757254 MWRGHCWYMGERLO-FQEVSTJZSA-N 315.505 2.767 0 50 DFAA Nc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCC3 356507 DEPJAFVMGPUWNV-UHFFFAOYSA-N 301.415 2.993 0 50 DFAA COc1cc(C=O)cc(OC)c1OCc1ccc2c(c1)OCO2 2866753 LYMLAYCMWFPSGY-UHFFFAOYSA-N 316.309 2.824 0 50 DFAA O=c1[nH]c(O)nc2c1sc1nc(-c3cccs3)ccc12 4973644 JKUOJLGJHZYKIB-UHFFFAOYSA-N 301.352 2.967 0 50 DFAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@H](C)Cn1cccn1 245968536 VBNNRNBPUAGAOL-YUTCNCBUSA-N 303.431 2.809 0 50 DFAA O=C(O)CCC(=O)Nc1scc2c1c(=O)oc1ccccc12 6699668 XZRJMWKOFXKZDI-UHFFFAOYSA-N 317.322 2.811 0 50 DFAA COc1ccc(OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 6747094 KNZLTMXSINSNLU-DLBZAZTESA-N 304.342 2.723 0 50 DFAA CC[C@H]1CCc2c(sc3nc(-c4ccncn4)[nH]c(=O)c23)C1 225566270 VREDQPIQZTZPNS-VIFPVBQESA-N 312.398 2.957 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CCCO1 20137677 JQVKGPRMSWROTB-HNNXBMFYSA-N 306.793 2.967 0 50 DFAA Cc1ccc(C)c(NC(=O)CC(=O)N(C)C[C@H]2CCCCO2)c1 55368975 VVEVBRVFVSGKLI-OAHLLOKOSA-N 318.417 2.660 0 50 DFAA CCCn1c(C)nnc1COC(=O)c1cc(Cl)c(Cl)[nH]1 135168542 GPJKIGJBPRGBOB-UHFFFAOYSA-N 317.176 2.988 0 50 DFAA OC[C@@H]1C[C@@H](O)CN1Cc1ccc(Oc2ccccc2)c(F)c1 248397652 RYQKXDNMGGVLIK-LSDHHAIUSA-N 317.360 2.546 0 50 DFAA c1ccc(Cn2ccnc2CN2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 110649022 XENPADVYIIMZBP-WNRNVDISSA-N 309.413 2.541 0 50 DFAA Cc1ocnc1-c1noc(-c2cc3ccccc3c(=O)n2C)n1 347149626 HYPMAMKUYXBUHH-UHFFFAOYSA-N 308.297 2.552 0 50 DFAA Clc1ccc(N2CC[C@H](Nc3cnccn3)C2)cc1Cl 349905994 VPPAVWUVHVRWHL-JTQLQIEISA-N 309.200 3.474 0 50 DFAA NC(=O)CCN1CCc2onc(-c3cccc4ccccc34)c2C1 67934835 YQDQUQHYIUWJMR-UHFFFAOYSA-N 321.380 2.728 0 50 DFAA Cc1nc(N2CCOC[C@H]2Cc2ccccc2)c2nc(C)oc2n1 63857273 XMLBMGGGIQALMI-OAHLLOKOSA-N 324.384 2.683 0 50 DFAA COCC1(c2noc(COC3CCOCC3)n2)CCCCC1 350448796 MWYKHGGMMFYQJL-UHFFFAOYSA-N 310.394 2.614 0 50 DFAA O=C(C[C@H]1COC(=O)N1Cc1ccccc1)NCc1ccccc1 22016923 MNTXGFLJFNIUAB-KRWDZBQOSA-N 324.380 2.714 0 50 DFAA Cc1oc(-c2ccccc2)nc1CN1CC[S@](=O)[C@@H](C)[C@@H]1C 229597839 ICDLKTYSUIOFNY-RGDDPNHNSA-N 318.442 2.991 0 50 DFAA CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H]3CN(C)CC[C@H]32)c1 230229805 NKSKOKPMHPDENP-FRFSOERESA-N 317.433 2.952 0 50 DFAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 252446365 SHHQESFPDIPHNF-BKDNQFJXSA-N 301.264 2.603 0 50 DFAA CCc1nc(C)c(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)o1 65408762 CYLWMXIKFCOLBT-OAHLLOKOSA-N 324.384 2.913 0 50 DFAA COc1c(F)cc(C(=O)Nc2cnc3n2CCCC3)cc1F 67674374 IEALINWYLGKRAB-UHFFFAOYSA-N 307.300 2.759 0 50 DFAA CCO[C@H](C)c1ncc(C(=O)NCCC2(OC)CCC2)s1 354991836 BDSRFBLDOIZEMH-LLVKDONJSA-N 312.435 2.930 0 50 DFAA O=C(NC[C@@H]1CCCS1)c1ccc(-c2nnc(S)o2)cc1 124642415 RDYLPBKKAIARSP-NSHDSACASA-N 321.427 2.651 0 50 DFAA Cn1c(Cl)cnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 253394616 HOEVQTQLDSMHQV-QWHCGFSZSA-N 309.772 2.521 0 50 DFAA O=c1oc(-c2cccs2)nn1Cc1ccn(C2CCCC2)n1 253420745 DEVKAZKFCNDUOR-UHFFFAOYSA-N 316.386 2.925 0 50 DFAA c1ccc(Cn2cccn2)c(CN2CCC3(CCNCC3)CC2)c1 72122536 MTKMQRBBYWWDAI-UHFFFAOYSA-N 324.472 2.897 0 50 DFAA Cc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1 39531872 FZXAVCQBZJANCP-LJQANCHMSA-N 302.462 2.806 0 50 DFAA O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCn2ccnc2C1 332871621 RNYSRFRARAUWIE-QLFBSQMISA-N 302.422 2.767 0 50 DFAA CCc1ncc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)s1 237071071 GYHLQFNNZMLYHN-VWYCJHECSA-N 308.403 2.563 0 50 DFAA C[C@@H](NC1CCC2(CC1)OCCO2)[C@H]1COc2ccccc21 156920714 JCELRQFGQIDKIR-CZUORRHYSA-N 303.402 2.826 0 50 DFAA O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)C1CCOCC1 377143873 XRXMTBYIJNXMIG-HZPDHXFCSA-N 323.433 2.685 0 50 DFAA COc1ccc(NC(=O)N[C@@H](C)c2cccnc2)c(OC)c1 13331949 BIIOVKYENSHNIP-NSHDSACASA-N 301.346 2.982 0 50 DFAA C[C@@H](C(=O)N1CCC2(CCCO2)CC1)n1cnc2ccccc21 72123837 RTCHCKYOIAYLAY-AWEZNQCLSA-N 313.401 2.769 0 50 DFAA CCOCCC1(Cn2c(S)nc3ccccc3c2=O)CC1 129949728 PDKKZWNXKBSRSQ-UHFFFAOYSA-N 304.415 2.892 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[C@@H]1C(=O)O 262564944 WKNQBCRECLATLM-KKOKHZNYSA-N 321.339 2.924 0 50 DFAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2ccccc2)c1 71754636 UVJOZPZXDUDMIY-UHFFFAOYSA-N 319.382 2.739 0 50 DFAA CC(=O)c1ccccc1OCCn1oc(-c2ccccc2)nc1=O 241470692 NXBUUEBCGBNIMF-UHFFFAOYSA-N 324.336 2.785 0 50 DFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(Cl)ccc2F)C1 379233720 TZSIZQMLHCNPTP-KCJUWKMLSA-N 324.705 2.973 0 50 DFAA COCC1(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CCC1 283832191 FYCBPTLYGAIJOY-UHFFFAOYSA-N 318.417 2.888 0 50 DFAA CCc1nn(C)c(CC)c1CN[C@H]1CCO[C@@H]1c1cccnc1 284705996 SYDYUPAKZNVZPZ-FUHWJXTLSA-N 314.433 2.560 0 50 DFAA Cc1cccc(CCNC(=O)N[C@H]2c3ccccc3O[C@@H]2C)n1 288285692 IZKZCSNJJXQDQS-CXAGYDPISA-N 311.385 2.754 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1Cl 47977186 RDTBSPSTGGVPSC-GFCCVEGCSA-N 323.824 2.981 0 50 DFAA COc1ccc2c(c1)c(C(=O)N(C)CC1(C)COC1)c(C)n2C 426730359 GULFMEHIXAWWOX-UHFFFAOYSA-N 316.401 2.604 0 50 DFAA CCc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)o1 265358075 WCDCOEPMLZMYKY-CQSZACIVSA-N 314.341 2.913 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)c1cn2ccccc2n1 49758442 OQKBEBXQPPZWAM-UHFFFAOYSA-N 303.325 2.772 0 50 DFAA Cc1noc([C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91493842 WJJCZVCXOATNTA-ZDUSSCGKSA-N 319.792 2.980 0 50 DFAA CNC[C@@H]1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)C1 179014052 CWIVYXCWOKPFBQ-HOTGVXAUSA-N 318.461 2.954 0 50 DFAA Cc1cccc(-c2nc(CN3CCOCCC3=O)c(C)o2)c1 95520456 RLSKBHJFYCYMNY-UHFFFAOYSA-N 300.358 2.707 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCS[C@H](C)[C@H]1C 239667918 BRZRBVUVAYPXET-UFGOTCBOSA-N 310.467 2.633 0 50 DFAA CSCC1CCN(C(=O)Nc2cccc(C(N)=O)c2C)CC1 96180304 GGGILCRFFUZTCH-UHFFFAOYSA-N 321.446 2.701 0 50 DFAA CCOc1ccccc1CCNC(=O)C[C@H]1CCCCN1C 97499708 DJQSEYHAFJVYBK-MRXNPFEDSA-N 304.434 2.618 0 50 DFAA Cn1nc(CN2CCCC[C@@H]2C(=O)O)c2c(Cl)cccc21 244734480 NGGTWXNASZWDRV-CYBMUJFWSA-N 307.781 2.666 0 50 DFAA O=Cc1nc(C(F)(F)F)ccc1I 263624023 MSJKFNWVHDQOTP-UHFFFAOYSA-N 301.005 2.518 0 50 DFAA CC(=O)c1cc(CN(C)CCCn2nc(C)cc2C)n(C)c1 670454929 PKKZCRIGPCBULL-UHFFFAOYSA-N 302.422 2.563 0 50 DFAA C=CC(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl 1335865824 CEPSUZMYOIMBOI-UHFFFAOYSA-N 308.687 2.825 0 50 DFAA CC[C@@H](NC(=O)Nc1ccc(OC)c(F)c1)c1noc(C)n1 1434682215 VWRNPOQFCICARZ-LLVKDONJSA-N 308.313 2.799 0 50 DFAA N[C@H]1CCN(Cc2ccc(SC3CCCCC3)o2)C[C@@H]1O 1565515107 KTTTWMKVHJGBMG-GJZGRUSLSA-N 310.463 2.598 0 50 DFAA Cc1cn(C)nc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1460535087 SOOSZMVIJWEKED-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)CCO1 408519472 AMIOEUZLYNFIHF-HUUCEWRRSA-N 302.418 2.587 0 50 DFAA Cc1ncc(CC(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)o1 639665590 ZPGSXUBJBKQRNH-WBMJQRKESA-N 300.358 2.514 0 50 DFAA Cc1ccc(C(=O)N2CCc3cccc(C(=O)O)c3C2)s1 649257434 JXLCUOIVAZBTGG-UHFFFAOYSA-N 301.367 2.953 0 50 DFAA C[C@H](C(=O)O)c1cccc(NC(=O)C[C@@H](C)n2ccnc2)c1 652072939 PTDNFVCAILYROR-NEPJUHHUSA-N 301.346 2.661 0 50 DFAA CSC1(CNC(=O)[C@H]2COc3cc(F)ccc3C2)CCC1 599847313 PHKLEHRTEUBFJY-GFCCVEGCSA-N 309.406 2.779 0 50 DFAA Cc1ccc(CC(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cc1C 659203350 IXWLKLYZPZYMGQ-UHFFFAOYSA-N 315.373 2.501 0 50 DFAA C[C@H]1CN(C(=O)c2c(N)cccc2F)C[C@H](CC(F)(F)F)O1 1615057626 VEVDSKHQEKSDJH-IUCAKERBSA-N 320.286 2.590 0 50 DFAA O[C@H](CF)c1cccc(-c2noc([C@]34CCC[C@H]3OCC4)n2)c1 1615612763 AANPCZIGWIPCDO-CPUCHLNUSA-N 318.348 2.950 0 50 DFAA CCOc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1OC 141490 JSMRDRRXTSAALB-SOFGYWHQSA-N 319.386 2.906 0 50 DFAA COc1ccc(OC)c([C@@H](C(=O)O)N2C[C@H]3CC=CC[C@H]3C2)c1 1506428725 YMWLYBURAYNMCY-AHIWAGSCSA-N 317.385 2.728 0 50 DFAA CC(=O)N[C@H]1CN(c2nccs2)C[C@@H]1c1ccc(C)cc1 216742183 VVSIFQXDQDSYRH-CABCVRRESA-N 301.415 2.560 0 50 DFAA Brc1cc(Br)nc(Br)n1 1562221 AHEYFWKLKMOHCI-UHFFFAOYSA-N 316.778 2.764 0 50 DFAA in-vitro Cc1cc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)ccc1F 1704303054 IBNNFGRAYGKDIX-SJLPKXTDSA-N 300.377 2.565 0 50 DFAA COc1ccc2c(c1)OCCC[C@@H]2NCC[C@H](C)[S@](C)=O 230464940 HIBBGXNRGBDLKT-QOKQMOMRSA-N 311.447 2.656 0 50 DFAA CCSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C 12123103 DPMKZZORRGPPIN-SECBINFHSA-N 308.382 2.557 0 50 DFAA CO[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)no2)C1 12244153 HNDKDHCWUHXWQR-HNNXBMFYSA-N 300.358 2.516 0 50 DFAA COC(=O)c1cc(Br)cn1C(=O)OC(C)(C)C 12336657 BLWTUIPDLAVPHI-UHFFFAOYSA-N 304.140 2.820 0 50 DFAA Cc1cccc(-n2ncc3c(N4C[C@H](C)O[C@H](C)C4)ncnc32)c1 18082280 BOVRQWUQMXMDLW-OKILXGFUSA-N 323.400 2.738 0 50 DFAA OC[C@]12COCC[C@H]1CN(Cc1ccccc1C(F)(F)F)C2 1857669837 ILNMTTBTYSKONH-DZGCQCFKSA-N 315.335 2.536 0 50 DFAA CCN1CC[C@H](n2ccnc2-c2cc3ccccc3n(C)c2=O)C1 1857728596 IQWHVFMYRGIRIC-HNNXBMFYSA-N 322.412 2.669 0 50 DFAA COc1cc(F)cc2sc(NC(=O)[C@@H]3CCCCO3)nc12 126941113 SYSLRODRKGDEKR-VIFPVBQESA-N 310.350 2.952 0 50 DFAA Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3C(=O)O)c2)cs1 237810610 YNBLVCZCSAGXJW-AWEZNQCLSA-N 316.382 2.808 0 50 DFAA C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 902420193 YYYVFSMKPXGJRA-VNMRFUOBSA-N 307.434 2.813 0 50 DFAA CCOc1cc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)on1 831881096 VWPHGFVBKUDIOE-BXUZGUMPSA-N 322.311 2.852 0 50 DFAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cncc(Cl)c2)o1 1875404870 YUXJZVCFNVKXOQ-NHYWBVRUSA-N 318.764 2.578 0 50 DFAA Cc1ccc(-c2csc(NC(=O)C[C@H]3CCNC3=O)n2)cc1 878010545 PPZKQAFVGXNTEW-GFCCVEGCSA-N 315.398 2.583 0 50 DFAA CCn1nncc1C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 887579568 VRMDTBKFLSGEMP-OAHLLOKOSA-N 312.417 2.954 0 50 DFAA CCN(C(=O)c1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 186320135 LRBSGWBGSFMNTK-SFHVURJKSA-N 309.413 2.818 0 50 DFAA Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCn1ccnc1 467936 JATHURISKHLZJD-UHFFFAOYSA-N 308.385 2.814 0 50 DFAA CCOc1cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)C[C@H]2C 1461528 VNCGMZNESKTNQK-LLVKDONJSA-N 317.385 2.917 0 50 DFAA COc1ccc(-n2cccn2)cc1CN1CC[C@@H](c2ccon2)C1 2325798635 KKDUBYIJPRGPIE-CQSZACIVSA-N 324.384 2.858 0 50 DFAA CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 282828 MNAPLMLDXHLQRT-UHFFFAOYSA-N 313.309 2.844 0 50 DFAA O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccccc2F)C1 300245 OZZAGGSWBRERLW-NSHDSACASA-N 316.307 2.956 0 50 DFAA COc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1OC 453900 MCBNMCOFJIQZFB-UHFFFAOYSA-N 323.352 2.655 0 50 DFAA Cc1noc(C(=O)N2CCN(c3ccccc3)CC2)c1Cl 6738107 AQKONJURZJRTQP-UHFFFAOYSA-N 305.765 2.599 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)NCCCN2CCC(C)CC2)c1 7728851 FDUMAYUKXMCGIK-UHFFFAOYSA-N 324.490 2.704 0 50 DFAA c1coc([C@H](CNCc2cnn3ccccc23)N2CCCC2)c1 171509577 LUZORBRCCUCIIQ-KRWDZBQOSA-N 310.401 2.854 0 50 DFAA Cc1nn(C)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1 113019763 UHKMGEDTTFFMSI-UHFFFAOYSA-N 306.369 2.967 0 50 DFAA CS(=O)(=O)Nc1ccc(-c2cccc(-c3cc[nH]n3)c2)cn1 23542965 CAJXXDXUBCRQKK-UHFFFAOYSA-N 314.370 2.510 0 50 DFAA CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 22930719 AHPRKCJKKAFTFO-UHFFFAOYSA-N 320.440 2.832 0 50 DFAA CCOCCN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@H]1C 248321674 UYWGBCXKPLAXGM-CQSZACIVSA-N 309.454 2.515 0 50 DFAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc(CN2CCCCC2)cc1 1074623956 LVZKVSMOUSQSRD-RCCFBDPRSA-N 314.429 2.580 0 50 DFAA Oc1ccc([C@@H](Cc2nc(-c3cnccn3)no2)C2CC2)cc1 351192445 QTHNMBQKRHNQBR-AWEZNQCLSA-N 308.341 2.969 0 50 DFAA Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)nc2)cn1 154514877 ZXEDXPOGASFZMI-UHFFFAOYSA-N 307.357 2.840 0 50 DFAA CS(=O)(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1 252507856 WVCDGNLUQYSUNY-MRXNPFEDSA-N 318.373 2.936 0 50 DFAA O=C(Cc1ccccc1C(F)(F)F)NCc1n[nH]c2c1CCC2 218977070 CFFKBJKMBHFPQM-UHFFFAOYSA-N 323.318 2.776 0 50 DFAA COC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3041245 IMMMSLBPNSSNKQ-UHFFFAOYSA-N 311.259 2.702 0 50 DFAA C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Cn2ccnc2)o1 71639659 OYMCZSDJMALHLX-CYBMUJFWSA-N 310.357 2.543 0 50 DFAA CN(CCOc1ccccc1F)C[C@H]1CCc2nccn2C1 328646594 SSQNFVYXFJBJLE-CQSZACIVSA-N 303.381 2.595 0 50 DFAA Cc1nc(C)c(F)c(N2CCC([C@H]3N=C(O)C3(C)C)CC2)n1 328720329 GRSFLPQCAQCYFW-CYBMUJFWSA-N 306.385 2.814 0 50 DFAA Cc1noc(C)c1S(=O)(=O)NCCc1cc2ccccc2o1 151395528 REEUAJWEKFQPQQ-UHFFFAOYSA-N 320.370 2.559 0 50 DFAA Cn1nnc(CN[C@H]2CCCc3c(Cl)sc(Cl)c32)n1 330260666 OMHICWBFRSNKPI-ZETCQYMHSA-N 318.233 2.746 0 50 DFAA CCN(CC)c1ccc(NC(=O)[C@H]2CCO[C@H]2C(C)C)cn1 331209435 GSXRPUTZWSAKDN-HOCLYGCPSA-N 305.422 2.927 0 50 DFAA O=C1CC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)CN1 75012245 GGZWKUBCQHUDQX-UHFFFAOYSA-N 312.335 2.808 0 50 DFAA c1ccc(-c2ccc(CN3CC(N4CCOCC4)C3)s2)cc1 216438730 YXBCIHVYIKCSOA-UHFFFAOYSA-N 314.454 2.932 0 50 DFAA Cc1cc(NCCc2nc(C(C)C)no2)n2nc(C)c(C)c2n1 72480716 HLAGABJTSLVCKS-UHFFFAOYSA-N 314.393 2.816 0 50 DFAA CCn1c(C)nnc1N1CCO[C@@H](c2ccc(F)cc2Cl)C1 283713192 UASASFCLDAHEBL-CQSZACIVSA-N 324.787 2.977 0 50 DFAA Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 14210722 FKNQQWWBGGJYLT-GFCCVEGCSA-N 319.382 2.763 0 50 DFAA Cc1noc(C(C)(C)NC(=O)c2ncsc2C(F)(F)F)n1 284999599 SHMFQMYCRZGXSP-UHFFFAOYSA-N 320.296 2.518 0 50 DFAA Cc1csc(SCC(=O)N[C@H](C)Cn2nc(C)cc2C)n1 222275802 MNWCBMCOULXKEV-SNVBAGLBSA-N 324.475 2.562 0 50 DFAA O=C(Cn1cc(C2CC2)cn1)N1CCC(Cc2cccnc2)CC1 613220475 WZDTVQHBJUNASE-UHFFFAOYSA-N 324.428 2.637 0 50 DFAA COc1cc(CN2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)ccc1F 426571342 BKTNLIDAJMZYJC-JCGIZDLHSA-N 323.408 2.993 0 50 DFAA Cc1occc1C(=O)N1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 180349531 QAHQDJWSDISYOT-CABCVRRESA-N 313.353 2.919 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)NCCSc1nccn1C 91691586 YQTJYVQTEYFIOP-UHFFFAOYSA-N 324.475 2.831 0 50 DFAA C[C@@H](O)c1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1 95520154 NVNJEJBURMEFFT-GFCCVEGCSA-N 318.808 2.510 0 50 DFAA CCN1CCN(Cc2ccccc2-c2ccccc2)C(=O)C1=O 95392962 RDYWAUBABYDMAI-UHFFFAOYSA-N 308.381 2.544 0 50 DFAA Cc1c[nH]ccc1=NCCNC(=O)N(C)[C@H](C)c1cccs1 426656887 GIJUETLGZGQJAV-CYBMUJFWSA-N 318.446 2.688 0 50 DFAA COC[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1cccs1 95511616 LXKFIZRPFQWKOS-LBPRGKRZSA-N 320.418 2.636 0 50 DFAA Cc1nc(C(=O)N2CCN[C@H](c3ccccc3)C2)c(C)s1 97295061 IROWYKUESMIBPX-AWEZNQCLSA-N 301.415 2.547 0 50 DFAA Cc1cc(C)n(CCCNC(=O)Nc2cccc3[nH]ncc23)n1 95523617 UFTQTNYLCLRXNV-UHFFFAOYSA-N 312.377 2.588 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)o1 180157633 LFRBUOBUUCTHJE-BXUZGUMPSA-N 307.296 2.814 0 50 DFAA O=C(Cc1ccncc1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299745565 RCKHFYRSEBYUJZ-YJBOKZPZSA-N 314.360 2.657 0 50 DFAA CC[C@H](NC(=O)CSc1ccccc1C)c1ncnn1CC 243893424 ARAKJQAABFVPKX-ZDUSSCGKSA-N 318.446 2.966 0 50 DFAA Cc1ccc(CN(CCO)Cc2ncc(C)c(O)c2C)s1 253536530 VBDZVQCFJFEMNB-UHFFFAOYSA-N 306.431 2.768 0 50 DFAA CCOc1ccc([C@@H](C)NC(=O)CCc2cn[nH]c2)cc1F 534634847 JBILGWVCKSXQGN-LLVKDONJSA-N 305.353 2.758 0 50 DFAA O=C1OCC2(CCN(Cc3cncn3C3CCCCC3)CC2)O1 299761975 CNFPQPMENUBDHW-UHFFFAOYSA-N 319.405 2.890 0 50 DFAA O=C(CCCN1CCCC1=O)NCc1cccc2ccccc12 828026967 ZVXNUQIMELSXJL-UHFFFAOYSA-N 310.397 2.859 0 50 DFAA CN1CC[C@@H](NC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 584891998 VUMWPVNXDFVPQS-UZZMVUAXSA-N 308.491 2.509 0 50 DFAA COc1ccc(OCc2nc([C@@H]3CCCCCN3C)n[nH]2)cc1 670450054 UTAKQSZYHPNFIA-HNNXBMFYSA-N 316.405 2.939 0 50 DFAA CCCc1nsc(N[C@H](C)CNC(=O)c2occc2C)n1 1097711640 WJHMSCXCHIDZTJ-SNVBAGLBSA-N 308.407 2.622 0 50 DFAA CCO[C@H]1C[C@H](N(C)CC(=O)N2CCC(C)CC2)C12CCCC2 170637248 WQFOKVOVJGKYKI-IRXDYDNUSA-N 322.493 2.915 0 50 DFAA C[C@H](c1ccc(F)cc1F)N1CCN(c2ncc(F)cn2)CC1 269517307 UXIQSHUTFUAGLO-LLVKDONJSA-N 322.334 2.777 0 50 DFAA CCOC(=O)[C@@H]1CC12CCN(C(=O)OCc1ccccc1)CC2 169244224 HPESIWGAJLAFOB-HNNXBMFYSA-N 317.385 2.988 0 50 DFAA in-vitro O=C(NS(=O)(=O)C1CCC1)c1ccc(C2CCCC2)cc1 408474630 HYIZLTFCVYASJS-UHFFFAOYSA-N 307.415 2.956 0 50 DFAA CC(=O)NC[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 408522977 FTSFJRMPEXJHGS-ZDUSSCGKSA-N 316.323 2.543 0 50 DFAA CN1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1=O 170599156 MYNZEOPEOLYQQU-CYBMUJFWSA-N 320.364 2.564 0 50 DFAA COCc1cn([C@@H](C)c2nnc(-c3ccccc3F)s2)nn1 1775994586 QAHISLFCUMBHGU-VIFPVBQESA-N 319.365 2.691 0 50 DFAA C[C@@H]1C[C@H](C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CC(C)(C)C1 585091070 STUCBJVRUQOUFC-FRRDWIJNSA-N 320.437 2.735 0 50 DFAA Cc1n[nH]c(C)c1CN1CC[C@@]2(CC(=O)c3ccccc3O2)C1 585117007 ORRVYNNKYUCIRC-GOSISDBHSA-N 311.385 2.636 0 50 DFAA Cc1cccc([C@H](C)N2CCC[C@@H](CN3CC[C@@H](O)C3)C2)c1 585133560 MFPIZPUQHCDZOF-JENIJYKNSA-N 302.462 2.835 0 50 DFAA Nc1c(Cl)c(F)cc(C(=O)NO[C@@H]2CCCCO2)c1Cl 585132552 ZMVICSDWMCZBBL-MRVPVSSYSA-N 323.151 2.903 0 50 DFAA COC[C@@H](NC1CCN(Cc2ccco2)CC1)c1ccccn1 1506417117 NUDAPLYEKSALEB-GOSISDBHSA-N 315.417 2.616 0 50 DFAA O=C1O[C@H]2CN(CCCC(F)(F)F)C[C@H]2N1C1CCCC1 205927018 JTUJTMTWSXRBQO-NEPJUHHUSA-N 306.328 2.777 0 50 DFAA COc1cc(C(=O)N(C)Cc2nccs2)cc(Cl)c1O 135159123 DRZQEAFLFSNOGB-UHFFFAOYSA-N 312.778 2.783 0 50 DFAA Cc1ccsc1C(=O)NCc1nnc(SCC(C)C)n1C 14958878 PACGPIJQPAWLTF-UHFFFAOYSA-N 324.475 2.863 0 50 DFAA O=c1c2c3c(nn2ccn1Cc1ccc(F)c(F)c1)CCCC3 169760347 FOYRRHQCPIQEKT-UHFFFAOYSA-N 315.323 2.701 0 50 DFAA C[C@H](c1n[nH]c(=N)s1)n1ccnc1-c1ccc2ncccc2c1 1857685888 YWOSIQDINMXOIC-SNVBAGLBSA-N 322.397 2.972 0 50 DFAA CCOC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 30660 HZFUFLXBEPOGGZ-UHFFFAOYSA-N 309.793 2.684 0 50 DFAA CNC(=O)CCCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 225440617 YMFILWYBCLBKKG-ZDUSSCGKSA-N 308.809 2.572 0 50 DFAA O=C(N[C@@H]1CC=CCC1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331846053 BPQTVSMDIVYFJS-IOASZLSFSA-N 322.355 2.891 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCCc1nc2ccccc2s1 237469786 JYRLLZHVTAMTFM-OLZOCXBDSA-N 317.458 2.957 0 50 DFAA COc1ccc2c(c1)OCCN(c1nccc(C(F)F)n1)C2 338486514 DHKHYNVZXLQHPW-UHFFFAOYSA-N 307.300 2.822 0 50 DFAA O=C(c1cc(F)cc(F)c1)N1CCOc2cc(O)ccc2C1 253417715 JIKCHZNANOXSGF-UHFFFAOYSA-N 305.280 2.705 0 50 DFAA CCc1ccnc(-c2noc(C(F)(F)C3CCNCC3)n2)c1 904711489 IXKCXJQYQDLPTL-UHFFFAOYSA-N 308.332 2.785 0 50 DFAA Fc1ccccc1C1(NCc2nnc([C@H]3CCCOC3)o2)CC1 818694318 SAIHTYYCNIVEHY-LBPRGKRZSA-N 317.364 2.882 0 50 DFAA COc1nn(C)cc1NC(=O)NCCC1CCC(F)(F)CC1 931053040 NDKGRMJCDWCARG-UHFFFAOYSA-N 316.352 2.766 0 50 DFAA O=C(c1ccc(F)c(C(F)F)c1)N1CCC[C@H](n2cncn2)C1 931992835 VDFYQYYUFFDIBM-NSHDSACASA-N 324.306 2.832 0 50 DFAA CCn1cncc1CN(C)C(=O)c1ccc2c(C)cc(O)nc2c1 1875297507 UIWOTFUFNATXPC-UHFFFAOYSA-N 324.384 2.737 0 50 DFAA O=C(NC1CCCC1)c1ccccc1OC[C@H]1C[N@]1CC1CC1 1875385095 MQQYECIJSSUEEZ-IERDGZPVSA-N 314.429 2.832 0 50 DFAA O=C(NC[C@@H](C(=O)O)c1ccc(Cl)cc1)[C@@H]1CCCS1 1875334596 WOLWJRNUODRKHM-NEPJUHHUSA-N 313.806 2.520 0 50 DFAA COc1cccc([C@@H](O)Cc2nc3ccccc3n2C)c1OC 45623 SZKWYMNETGAYBB-HNNXBMFYSA-N 312.369 2.867 0 50 DFAA Cc1cc(Cc2noc(-c3ccc4c(c3)CCC[C@H]4N)n2)no1 2325777331 WJAWPIIRNHFDAD-OAHLLOKOSA-N 310.357 2.960 0 50 DFAA Cn1ncc2c1CC[C@@H](F)[C@H]2NC1CC2(CCC(CO)CC2)C1 2325777822 IGOAAKKXIUGLLO-RBCVAOBCSA-N 321.440 2.666 0 50 DFAA CC(C)(C)c1ccc(-c2cnc3c(c2)NCCS3(=O)=O)cn1 2325783343 QDKBFHJQJLQYFL-UHFFFAOYSA-N 317.414 2.640 0 50 DFAA Cc1c(C2CCCCC2)noc1NC(=O)CCc1nncn1C 2325806502 DHTDQVFDHKQBOJ-UHFFFAOYSA-N 317.393 2.731 0 50 DFAA COC(=O)c1cc(Br)cc(Br)c1O 43887 KISQISIKTRRMOX-UHFFFAOYSA-N 309.941 2.704 0 50 DFAA biogenic O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(O)cc1 108929 RSAWHKCUDFOVRB-CQSZACIVSA-N 314.366 2.834 0 50 DFAA CNC(=O)N(O)[C@@H]1N(c2ccccc2)C(=S)SC1(C)C 361171 GXEFGFSHZSHJEM-JTQLQIEISA-N 311.432 2.660 0 50 DFAA O=C(Nc1ccccc1N1CCOCC1)c1ccccc1F 792173 UNLQJODAOGOWRB-UHFFFAOYSA-N 300.333 2.915 0 50 DFAA O[C@@H]1C[C@@H](O)CN(Cc2ccc(-c3ccccc3Cl)o2)C1 2356148645 JZKLBEGYPQTHDD-VXGBXAGGSA-N 307.777 2.528 0 50 DFAA Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc(F)cc1 3223071 WBGLGLQACUHDSW-UHFFFAOYSA-N 309.318 2.633 0 50 DFAA Cc1noc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1Cl 4901680 AURMUQPSDPAALO-UHFFFAOYSA-N 323.755 2.738 0 50 DFAA CS(=O)(=O)CCC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 412428695 QQLIJYFMKKKWIS-MRXNPFEDSA-N 321.442 2.565 0 50 DFAA CC1=C(I)[C@H]2CC[C@H]1CC21OCCO1 101081701 FRHZHILTDKESML-DTWKUNHWSA-N 306.143 2.868 0 50 DFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2nc(C)cs2)CC1 59749645 LWQWRHUQVHZFQN-UHFFFAOYSA-N 324.450 2.564 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1scnc1Cl 408526080 ORFXTEUMWPDOST-CIUDSAMLSA-N 314.794 2.654 0 50 DFAA Cn1c(=O)n(C)c2cc([C@H](O)c3cc4ccccc4o3)ccc21 20428166 NZMDHIGIQCEMTQ-KRWDZBQOSA-N 308.337 2.705 0 50 DFAA Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@H]1C(=O)O 136505115 YOJZJJHHJMYKJT-NSHDSACASA-N 310.419 2.729 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H]2CCc3nccn3C2)o1 253592024 SGOFYZOGCHIEKB-IPYPFGDCSA-N 313.401 2.663 0 50 DFAA CNc1ncc(CN(C)c2ncnc3sc(C)c(C)c23)cn1 65455463 ONZLSNAPWPKQEW-UHFFFAOYSA-N 314.418 2.776 0 50 DFAA CC(C)C(=O)N1CCC(CN[C@H](C)COc2ccccc2)CC1 65530910 UZFNFGCNGVWTIZ-MRXNPFEDSA-N 318.461 2.938 0 50 DFAA Cc1cccc([C@@H]2C[C@@H]2[C@H](C)NC(=O)N(C)CC[C@H](C)O)c1 252511054 DNHGNKHODQNXRC-DIECFANBSA-N 304.434 2.899 0 50 DFAA CCn1ncc(Cl)c1C(=O)NC1CC(C)(C)NC(C)(C)C1 2781548 GKNOZFAKZNWBJX-UHFFFAOYSA-N 312.845 2.595 0 50 DFAA Cc1cc(CN(Cc2ccccn2)[C@H]2CCCNCC2)no1 328604721 LAXANMGBESCJES-KRWDZBQOSA-N 300.406 2.522 0 50 DFAA Cc1ccc(N2CCC(Cc3cccc(C(=O)O)c3)CC2)nn1 77484865 UXRXPGQYFQYSQW-UHFFFAOYSA-N 311.385 2.942 0 50 DFAA CCC[C@]1(CO)CCN(C(=O)[C@@H]2CCc3cccc(OC)c32)C1 356139973 NMWILNUKUKQUGS-BEFAXECRSA-N 317.429 2.736 0 50 DFAA CCC[C@@H](CNc1nc(C(C)(C)C)nc2c1cnn2C)N(C)C 72169955 MPYUMLWVHRENII-LBPRGKRZSA-N 318.469 2.803 0 50 DFAA Cc1cc(Cc2noc(C[C@H]3CCO[C@@H](C(C)C)C3)n2)no1 329647760 DZACUVHMFYWUFE-GXTWGEPZSA-N 305.378 2.951 0 50 DFAA Cc1ccc2oc(N[C@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)nc2c1 219638185 PGNBSDSNDLATLL-GHJWDPDVSA-N 312.373 2.794 0 50 DFAA CCc1ccc(S(=O)(=O)N2CC(C)=C[C@@H](C)C2)cc1C(=O)O 362334750 PCNPQLMARGIGPL-LLVKDONJSA-N 323.414 2.534 0 50 DFAA O=C(NC[C@@H]1CCCS1)N1CCC[C@@H](N2CCCC2)CC1 126456536 UAXIWXDUTLHZGA-CABCVRRESA-N 311.495 2.542 0 50 DFAA Nc1ccnc(CN2CCC([C@@H](F)c3ccccc3F)CC2)n1 367144896 QEBXJHIEIMIAGP-QGZVFWFLSA-N 318.371 3.121 0 50 DFAA Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@H](N2CCCC2)C1 72168702 RFRQFWRZFVRZIA-OAHLLOKOSA-N 316.449 2.609 0 50 DFAA Fc1ccc(O[C@H]2CCN(Cc3cnc4cnccn34)C2)cc1 368164126 BURMRSOAJRSRPW-INIZCTEOSA-N 312.348 2.522 0 50 DFAA CCC[C@@H](C)c1cc(NC(=O)[C@H](C)NC(=O)c2ccco2)[nH]n1 173355230 ORNVAIVKWJQNCA-MNOVXSKESA-N 318.377 2.663 0 50 DFAA CC(C)[C@H]1CN(Cc2cccnc2N)CCCN1CC1CC1 71768085 WVSQUUDSVGDQQQ-QGZVFWFLSA-N 302.466 2.606 0 50 DFAA Brc1ccc(-c2cnc(Cn3ccnn3)o2)cc1 128074295 BRWHOEQUYULMBS-UHFFFAOYSA-N 305.135 2.744 0 50 DFAA COc1ccc(-n2ccnc2-c2cc3n(n2)CCCNC3)c(C)c1 72411396 JJTIIQUBXWDCJR-UHFFFAOYSA-N 323.400 2.546 0 50 DFAA Cc1ccc(C(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)nn1 334059517 XYIGADNHRJYCDM-HOTGVXAUSA-N 307.397 2.708 0 50 DFAA O=C(O)CN(C(=O)CC/C=C/c1ccccc1)C1CCOCC1 238095696 UGUAERWHTZPNNE-XBXARRHUSA-N 317.385 2.572 0 50 DFAA CC[C@H](NC(=O)C1CCCC1)c1ccc(S(C)(=O)=O)cc1 72117782 GFOIJDHMCPNIBN-HNNXBMFYSA-N 309.431 2.848 0 50 DFAA Cc1ccccc1[C@]1(O)CCN(C(=O)CCC(F)(F)F)C1 223851461 KXKQCQMYRPZPPH-AWEZNQCLSA-N 301.308 2.757 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 223689617 RVLXTVFPMSDSJA-OAHLLOKOSA-N 303.406 2.821 0 50 DFAA CCO[C@@H](C)CNC(=O)c1cc(C)nc2cc(OC)ccc12 426517819 JJMCSWZYAZCJPW-LBPRGKRZSA-N 302.374 2.707 0 50 DFAA Cn1cc(CCNC(=O)c2ccc3cccc(Cl)c3n2)cn1 426563438 MHJKJICCBKHSAS-UHFFFAOYSA-N 314.776 2.594 0 50 DFAA Cc1cc(C)n(C2CN(Cc3cc4c(cc3Cl)OCO4)C2)n1 97654196 MZBTYOPJJVWFIT-UHFFFAOYSA-N 319.792 2.939 0 50 DFAA Cc1cccc(CCCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 91973759 WRZJKQMEZVQJAR-MRXNPFEDSA-N 316.445 2.691 0 50 DFAA CCOCc1nc([C@@H]2CCOC2)n(C2Cc3ccccc3C2)n1 95510623 ZRNQDEBBLPHVFV-OAHLLOKOSA-N 313.401 2.658 0 50 DFAA CC[C@H](O)Cn1nc(Cc2ccc(OC)cc2)nc1CSC 95524309 JQHSWLDKWLFWET-ZDUSSCGKSA-N 321.446 2.511 0 50 DFAA Cc1ccc(C)c(NC(=O)N2CCN(C3CCOCC3)CC2)c1 96164497 QGVWTASKRWKMRB-UHFFFAOYSA-N 317.433 2.632 0 50 DFAA Cc1cc2n(n1)CCN(CCC(=O)Nc1ccc3c(c1)CCC3)C2 244872834 WFHITODUICPYOP-UHFFFAOYSA-N 324.428 2.525 0 50 DFAA c1cc([C@@H]2CCN(c3nc(C4CCOCC4)ns3)C2)ccn1 624359666 SJEJNDQLZVMQIS-CQSZACIVSA-N 316.430 2.821 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1c1ncon1 183174841 NIFFHORRWJNTBQ-ZDUSSCGKSA-N 317.393 2.697 0 50 DFAA C[C@H]1CN(C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)C[C@@H]1N(C)C 299754081 XRVVKDIJLLZAFF-VRKREXBASA-N 304.434 2.744 0 50 DFAA c1c[nH]c(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)n1 185382137 KYEUXCMKEOKSLH-UHFFFAOYSA-N 322.416 2.931 0 50 DFAA Cc1cccc(F)c1C(=O)N1CCN(C2CCCCC2)C(=O)C1 584904131 AFHUUSKNXNGLGC-UHFFFAOYSA-N 318.392 2.751 0 50 DFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCn1cccc1)(C3)C2 952965135 QJTUPXPOHCIIFZ-QXCFHYIPSA-N 316.445 2.716 0 50 DFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H]2C[C@H](C)O)c1 269834107 QCXPFCYTXYWOFD-JYJNAYRXSA-N 304.434 2.866 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CC[C@H](OC)C(C)(C)C2)c1 634692450 BJSYHBITHZYTOK-LSDHHAIUSA-N 307.390 2.568 0 50 DFAA CC(C)[C@H](CN[C@@H]1CCCOCC1)ONC(=O)OC(C)(C)C 398810245 WMAZOKNOAHGKKS-KGLIPLIRSA-N 316.442 2.626 0 50 DFAA Cc1cccn2cc(CNC(=O)COC3CCC(C)CC3)nc12 280524852 NBJCFGVLFFEMIB-UHFFFAOYSA-N 315.417 2.854 0 50 DFAA O=C(O)c1cccc(CNC(=O)N2CCC(CCF)CC2)c1 635518201 AKHFADFLOMRRHM-UHFFFAOYSA-N 308.353 2.666 0 50 DFAA C[C@H](NC(=O)c1ncc(F)cc1F)c1nc(C2CCCC2)no1 192361356 MSGOXXDKZUBMGD-QMMMGPOBSA-N 322.315 2.891 0 50 DFAA COc1cc(SC)ccc1NC(=O)NCc1cnn(C)c1C 192653514 VSISWIHWOVDJBZ-UHFFFAOYSA-N 320.418 2.781 0 50 DFAA CC(C)[C@@](C)(CC(=O)O)NC(=O)c1cccc2c1ccn2C 648341505 LSLJUQFLBWOXAI-QGZVFWFLSA-N 302.374 2.798 0 50 DFAA O=C(CSCc1ccccn1)N1CCC(c2ncco2)CC1 600070954 RANIDRLHRVBOFU-UHFFFAOYSA-N 317.414 2.709 0 50 DFAA CCc1nccn1Cc1cn(-c2cc(OC)ccc2Cl)nn1 656450812 FNLAOTQQPNIBDL-UHFFFAOYSA-N 317.780 2.737 0 50 DFAA O=C(c1ccccc1Oc1cccnc1)N1CCn2nccc21 671590213 MAIIOFSDPSSMRC-UHFFFAOYSA-N 306.325 2.731 0 50 DFAA CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccn(C)n1 584906656 BSMXPNDBVUNVBF-UHFFFAOYSA-N 319.386 2.788 0 50 DFAA CCOc1nc(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)co1 680357837 TYGFKXNHGLHBCA-WFASDCNBSA-N 316.357 2.676 0 50 DFAA CCOCCN(Cc1cc2ccccc2o1)C[C@@H](C)C(=O)O 1615053072 COYYXJVEOFIMHM-CYBMUJFWSA-N 305.374 2.992 0 50 DFAA CCOc1cccc(C(=O)N2C[C@H]3CCCC[C@]3(C(=O)O)C2)c1 1615622311 FPUXMYIVWIDLHP-KDOFPFPSSA-N 317.385 2.802 0 50 DFAA Cc1cc(NC(=O)N2CCc3ccnc(N(C)C)c3C2)sn1 1650505498 ACYYCASUYTVMLH-UHFFFAOYSA-N 317.418 2.503 0 50 DFAA CC(=O)N[C@H]1CCCN(C2CCN(c3ccc(C)cc3)CC2)C1 1506421299 OEQUUNUUQIZFEO-KRWDZBQOSA-N 315.461 2.564 0 50 DFAA CCc1noc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1C 1529092881 YYGYMHMYDMTSSY-LLVKDONJSA-N 304.346 2.960 0 50 DFAA COc1nc(N2CCC([C@@H](O)c3cccs3)CC2)ncc1F 1529168616 HZLOCSOMLJWDTJ-CYBMUJFWSA-N 323.393 2.636 0 50 DFAA Cc1ncc(CN(CCO)C(=O)C2CCC(C(C)(C)C)CC2)[nH]1 1704316304 XRIDHCBQBDXKHD-UHFFFAOYSA-N 321.465 2.892 0 50 DFAA O=C(O)c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1Cl 5051032 HLXGDPVIJRNPHN-VHSXEESVSA-N 323.732 2.644 0 50 DFAA COc1ccccc1CCCNC(=O)C[C@H]1CCCCN1C 12191953 JMGDYQBRZOPLMX-MRXNPFEDSA-N 304.434 2.618 0 50 DFAA Cc1cc(Cl)c2oc(C(=O)N[C@@H]3CCOC3=O)c(C)c2c1 12585420 CJBVRKAPAANCJA-LLVKDONJSA-N 307.733 2.748 0 50 DFAA Cc1ccc(NC(=S)NNC(=S)NC2CCCCC2)cc1 13543654 WKJAXTXVFWURFQ-UHFFFAOYSA-N 322.503 2.993 0 50 DFAA CN1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2)CC1 16604657 QRLLOGNQTKVEAR-UHFFFAOYSA-N 324.424 2.943 0 50 DFAA O=C([C@H]1CC[C@@H]2CCC[C@@H]21)N1CCC(Cn2cccn2)CC1 1857672149 MUILAGUNIPEJHM-ULQDDVLXSA-N 301.434 2.948 0 50 DFAA Cn1cc(CCn2ccnc2-c2ccc(-c3cc[nH]n3)s2)cn1 1857676484 UGZIQCINBKRONI-UHFFFAOYSA-N 324.413 2.978 0 50 DFAA CC(C)(C)c1ncc(N2C(=O)N[C@](C)(c3ccccc3)C2=O)cn1 813359310 HYQUNZZKKBPYDD-GOSISDBHSA-N 324.384 2.746 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 237954490 DHFXDEVQAZVYCN-IUCAKERBSA-N 314.168 2.830 0 50 DFAA O=C(O)c1ccn(-c2ccccc2NC(=O)[C@@H]2[C@H]3CCC[C@H]32)n1 241586427 OVYFBBBEGJNMNI-HBYGRHMLSA-N 311.341 2.555 0 50 DFAA CC(=O)Nc1nc(C(=O)N2Cc3cccc(Cl)c3C2)cs1 377122944 LQYZXOGFFKTNTM-UHFFFAOYSA-N 321.789 2.911 0 50 DFAA CC(C)CCn1ncc(NC(=O)N2CC[C@H](CO)C2)c1C(C)C 390833125 CLRDFXQJTDJUIX-AWEZNQCLSA-N 322.453 2.899 0 50 DFAA Nc1noc2cc(CNC(=O)C[C@H]3CCC4(CCC4)O3)ccc12 911212575 LFZHRVIHGFWNCJ-GFCCVEGCSA-N 315.373 2.518 0 50 DFAA C[C@H](NC1CC1)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 852907866 HAPROGZQJTYXJH-BLLLJJGKSA-N 320.408 2.645 0 50 DFAA O=C(C1CCCC1)N1CC[C@H](N[C@H](C2CCC2)[C@@H]2CCOC2)C1 864097386 VANARUBFTKUAFB-FGTMMUONSA-N 320.477 2.572 0 50 DFAA O=C(c1ccco1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848837 VKQULPYDAMGMFL-OLZOCXBDSA-N 312.373 2.541 0 50 DFAA Cc1noc(C[C@@]2(O)CCCN(CCC3=CCCCC3)C2)n1 886079598 MLGLQLZQLLBMCT-KRWDZBQOSA-N 305.422 2.638 0 50 DFAA COC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2C1 8843813 ZNHXUZDATLKIAJ-CYBMUJFWSA-N 311.337 2.663 0 50 DFAA biogenic Clc1ccc2c(c1)CO[C@@H]2Cc1nc(Cn2ccnc2)no1 2325791783 YCTGHJPWBXZHRX-CYBMUJFWSA-N 316.748 2.782 0 50 DFAA Cc1[nH]nc2c1CC[C@@H](NC(=O)c1cc3c(C)cccn3c1)C2 2325794784 RDLKQWUBCRLFOE-CQSZACIVSA-N 308.385 2.567 0 50 DFAA COc1noc(C2CC2)c1NC(=O)c1csc2cncn12 2325804142 XEPBNMKNKIKQBM-UHFFFAOYSA-N 304.331 2.522 0 50 DFAA COCC[C@@H]1CN(C(=O)NC[C@H]2CCCC(C)(C)C2)CCO1 2325843226 ZLSKETREWKCIBQ-LSDHHAIUSA-N 312.454 2.650 0 50 DFAA O=C(O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1Cl 69658 QEYGZMFBHATDHI-UHFFFAOYSA-N 301.685 2.839 0 50 DFAA COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1OC 242167 UXKJXCOZJHPVEC-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA COc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c1 454949 OFYCNMYXFKQDRB-UHFFFAOYSA-N 313.309 2.881 0 50 DFAA biogenic C[C@H](O)CNCCOc1ccccc1OCc1ccccc1 2881223 GHBOBGFPMUASEK-HNNXBMFYSA-N 301.386 2.615 0 50 DFAA CC1(C)[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC[C@@]1(C)C(=O)O 4811422 CJJSEBJKIPJYCU-SJCJKPOMSA-N 319.357 2.850 0 50 DFAA CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 6703014 DZEXNOGVFHTSBX-CYBMUJFWSA-N 312.369 2.842 0 50 DFAA COc1ccc(NC(=O)CC(=O)Nc2ccccc2OC)cc1 57291894 VWUYQAIOXBZCRF-UHFFFAOYSA-N 314.341 2.671 0 50 DFAA O=C(NCCc1nnc(-c2ccco2)[nH]1)c1cc2ccccc2o1 110784816 PEKWNZYBVPMCEU-UHFFFAOYSA-N 322.324 2.783 0 50 DFAA CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 307469679 NKKDPOHKWKYWLT-UHFFFAOYSA-N 321.373 2.525 0 50 DFAA O=c1c2ccccc2nc2n1CCCN2CCOc1ccccc1 9047707 KWFUTHZKEUGSFL-UHFFFAOYSA-N 321.380 2.686 0 50 DFAA CC(=O)N[C@H](C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C1CCCC1 247918577 GKABDMDDQMJHLC-LNWTYNMOSA-N 306.450 2.622 0 50 DFAA c1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)nc1 57524679 GKRNRFFHJJVOGU-UHFFFAOYSA-N 314.418 2.624 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2[nH]cnc2c1 249698690 WEEHBWVDCNSFJV-DLBZAZTESA-N 312.417 2.652 0 50 DFAA CC(=O)c1cccc(-n2cnnc2CCc2c(C)n[nH]c2C)c1 67754951 XRCRJOSCTQUMDP-UHFFFAOYSA-N 309.373 2.595 0 50 DFAA O=C1C[C@H](c2cc(CN3CCCC3)cs2)c2c[nH]nc2N1 67920932 VMFOXAYWEPSPBO-NSHDSACASA-N 302.403 2.541 0 50 DFAA C[C@H]1CC[C@]2(CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)C2)C1 328623102 IWCNQGANZWBFIH-SCNOPHJPSA-N 317.433 2.536 0 50 DFAA CC[C@H](NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1)C(F)F 331347659 WTSKDJVLPNOTBG-MCIGGMRASA-N 318.408 2.867 0 50 DFAA COc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O)c(F)c2)s1 71751015 IHPYVNZMUDGNFQ-ZETCQYMHSA-N 310.350 2.796 0 50 DFAA O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(F)cc1 338208712 RWBAPQZBRSXHJL-UHFFFAOYSA-N 309.344 2.984 0 50 DFAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1nc(-c2ccccc2)cs1 262390087 KHVGCGGKAXLGHL-ZMLRMANQSA-N 316.382 2.708 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CC[C@@H](N)C[C@H]2C)c1 237381867 OYCSUMAZIYQOEQ-HZPDHXFCSA-N 304.434 2.882 0 50 DFAA c1ccc2c(c1)nnn2CCCn1ccnc1-c1ccncc1 71765136 QVAMQGAXFRTURB-UHFFFAOYSA-N 304.357 2.780 0 50 DFAA Cc1ccc(-c2nc(C(=O)N(C)C[C@@H](C)C(=O)O)cs2)o1 237585785 KRWUKAOKYFLVGK-MRVPVSSYSA-N 308.359 2.504 0 50 DFAA O=S(=O)(N1CCCC1)N1CCCC[C@H]1CCc1ccccc1 72165138 OFAFPTBTWARYPF-KRWDZBQOSA-N 322.474 2.814 0 50 DFAA Cc1cc2c(N3CCO[C@@H](C(F)(F)F)C3)ncnc2s1 71760692 AJWHZXCSEXGPMQ-SECBINFHSA-N 303.309 2.767 0 50 DFAA Cc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)o1 286655551 XYZCFWTUCKECBB-LBPRGKRZSA-N 311.288 2.557 0 50 DFAA O=C1CCC[C@H](Cc2nc(-c3ccccc3OC(F)F)no2)N1 288869152 CLRPGEGSZKHIDC-SECBINFHSA-N 323.299 2.549 0 50 DFAA CCO[C@H]1CN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1O 223360514 JFIGNYCGCMIKCE-PMACEKPBSA-N 309.409 2.839 0 50 DFAA Cc1cc(OC(F)F)ccc1NC(=O)NCCc1ccnn1C 96166228 CCYQGBMBBDHZFG-UHFFFAOYSA-N 324.331 2.694 0 50 DFAA CCCCOc1cc(F)ccc1-c1cnn([C@@H](C)C(N)=O)c1 96179899 IQTRSMMHJSGTTE-NSHDSACASA-N 305.353 2.914 0 50 DFAA Cn1cccc1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95355525 JUTAQGRKSPAHJU-HNNXBMFYSA-N 312.369 2.743 0 50 DFAA O=C(O)c1cccc(CNc2nccc(-c3ccccn3)n2)c1 97551470 ISARVIRLTHXVRD-UHFFFAOYSA-N 306.325 2.849 0 50 DFAA Cc1nc2cc(C(=O)NC[C@@H]3COc4ccccc4C3)ccc2[nH]1 97346936 AEESHBWCIQQZGD-CYBMUJFWSA-N 321.380 2.852 0 50 DFAA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCOc1ccc2c(c1)OCO2 181556577 FKARSUZTEWLKFX-XYPHTWIQSA-N 319.401 2.587 0 50 DFAA Cc1n[nH]c([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)n1 244633432 GCXXANUYYLNNHZ-CYBMUJFWSA-N 310.361 2.500 0 50 DFAA CC[C@@H](C)[C@@H](C)C(=O)NC1CCN(Cc2cccnc2)CC1 183792410 ZGDRWLBTYWRKOR-HUUCEWRRSA-N 303.450 2.844 0 50 DFAA CN1CCC(Oc2ccc(NC(=O)c3cscn3)cc2)CC1 823764780 FRDALNZJVDIVDM-UHFFFAOYSA-N 317.414 2.868 0 50 DFAA COc1ccc2ncn(CCCOC3CCCC3)c(=O)c2c1 670436811 LBISGIYIVCRBNU-UHFFFAOYSA-N 302.374 2.754 0 50 DFAA COc1nccc(NC(=O)N2CCC[C@@H]2c2cccs2)n1 276390040 AIWDTGDTWWALGT-SNVBAGLBSA-N 304.375 2.916 0 50 DFAA Cc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CSCCN2)cc1 170050114 PZLJLOPFHYYPMM-HZPDHXFCSA-N 304.459 2.754 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2cccnc2)cs1 188119628 AAIZSLSDAPERRY-ABAIWWIYSA-N 317.414 2.978 0 50 DFAA COc1ccc([C@H](C)CN2CCOC[C@@H]2c2nc(C)no2)cc1 188481381 MCIUKVVYQDOTDT-MLGOLLRUSA-N 317.389 2.564 0 50 DFAA O=C(NC1CCC(O)(c2cccnc2)CC1)c1ccoc1Cl 192357427 GXSPYLFPTIAOFS-UHFFFAOYSA-N 320.776 2.888 0 50 DFAA CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1cccc(O)c1)CC2 194946576 GVQZKOOIXIDZHM-OCCSQVGLSA-N 300.406 2.773 0 50 DFAA CC[C@@H](NC[C@@H]1CCO[C@H]1c1nccn1C)c1ccncc1 658275111 DCBJDZAZUUOMKA-ARFHVFGLSA-N 300.406 2.634 0 50 DFAA C=CC(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 585124630 KCFOMNIWUXEAIM-QGZVFWFLSA-N 306.365 2.686 0 50 DFAA CC(C)C[C@@H](CC(=O)O)NC(=O)c1coc(Br)c1 1875278222 JZYMUCGUDKRQMZ-VIFPVBQESA-N 318.167 2.661 0 50 DFAA CC1=C(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)OCCO1 1506414001 MMEQEHZFOOZSGP-UHFFFAOYSA-N 317.316 2.980 0 50 DFAA O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)N1 858693 VHADAQHCJGSTFB-NTEUORMPSA-N 312.300 2.585 0 50 DFAA c1ccc2c3c([nH]c2c1)C1(CCN(Cc2cnc[nH]2)CC1)OCC3 1704305198 OVKNLRHNSVXOFV-UHFFFAOYSA-N 322.412 2.955 0 50 DFAA COc1ccc2c(c1)[C@H](C(C(=O)O)C(=O)O)c1ccccc1O2 5013765 KWEFYQQAKUVDDQ-CQSZACIVSA-N 314.293 2.718 0 50 DFAA CC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)cs1 12382871 XMGGRLWOWCICJM-UHFFFAOYSA-N 316.430 2.624 0 50 DFAA CCSC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 13686144 RDKBXFLQARGTMS-UHFFFAOYSA-N 307.444 2.934 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)s1 237999782 SUMHECRCMPFUPM-VHSXEESVSA-N 311.428 2.947 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(OC)cc1C 1857678709 LRTZZNFUHJSEGA-WBHUJUFNSA-N 317.385 2.862 0 50 DFAA Cc1cc(C)n2ncc(-c3nccn3[C@@H]3CCC[C@H](CN)C3)c2n1 1857708014 FRGDUHHMSCJZCO-LSDHHAIUSA-N 324.432 2.900 0 50 DFAA COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 406895 ZWNAXHWQBFOLGY-LLVKDONJSA-N 316.353 2.921 0 50 DFAA biogenic CC(C)(C(=O)Nc1cccc(CC(=O)O)c1)[C@@H]1CCCCO1 630143482 GGGONKOMIYWISV-AWEZNQCLSA-N 305.374 2.848 0 50 DFAA COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1 6700528 QGLGNPCWSBQHAU-UHFFFAOYSA-N 322.412 2.665 0 50 DFAA Cn1cc(S(=O)(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)cn1 331692236 YLODIRREUJUDBM-OAHLLOKOSA-N 319.430 2.582 0 50 DFAA Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 264316604 ZWQDZVNSWMLFMJ-UHFFFAOYSA-N 318.760 2.996 0 50 DFAA CN(C)Cc1ccc(-c2noc(C3CCN(C)CC3)n2)cc1 952994954 XUFOHZGCPSNMSD-UHFFFAOYSA-N 300.406 2.607 0 50 DFAA Cc1ccc([S@](C)(=O)=NC(=O)[C@H]2CSCCS2)cc1 952992523 HRRURPNCPULNHT-BLVKFPJESA-N 315.485 2.827 0 50 DFAA CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC[C@H](Cc2nccs2)C1 1875276652 MEYPKQAVTDZQKJ-IOASZLSFSA-N 323.462 2.675 0 50 DFAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1C[C@H]2CC[C@H]1C2 1875278372 UJVHAWPCNLSIIV-AICCOOGYSA-N 320.433 2.785 0 50 DFAA C[C@@H]1CN(C[C@H]2OC(=O)CC2(C)C)C[C@H](c2ccsc2)O1 1875275061 SYUNUBSJNJELRY-MRVWCRGKSA-N 309.431 2.852 0 50 DFAA COCc1nc(C)cc(N[C@H](CN(C)C)c2ccccc2C)n1 1775989288 JQRBSLSGYDAMBT-MRXNPFEDSA-N 314.433 2.955 0 50 DFAA CCCCCOc1ccc(C(=O)N2CC(c3nc[nH]n3)C2)cc1 1775998873 LMXVPHOYQLQKCZ-UHFFFAOYSA-N 314.389 2.613 0 50 DFAA Cc1cc2n(n1)CCN(C(=O)[C@H]1CC(C)(C)[C@H]1C(F)(F)F)C2 2325774489 MRRQQTSWGVASGX-RYUDHWBXSA-N 315.339 2.758 0 50 DFAA CC(C)(C)C[C@H]1CCN(C(=O)C2CCN(CCN)CC2)C1(C)C 2325795860 AOZLPKYWFFEMAI-MRXNPFEDSA-N 323.525 2.720 0 50 DFAA COc1cccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c1 308951 DKNRZBAOORXVMC-AWEZNQCLSA-N 303.358 2.900 0 50 DFAA CCOC(=O)c1c(C)n(C)c2ccc(O[C@@H](C)C(=O)O)cc12 352373 HABYFWDQSKWUTF-JTQLQIEISA-N 305.330 2.515 0 50 DFAA COc1ccc(OC)c(NC(=O)c2ccc(NC(C)=O)cc2)c1 434689 YGNNDGBITOAXNC-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA biogenic CC(C)(CO)NC[C@@H](O)Cn1c2ccccc2c2ccccc21 2690142 MDFIURJBFJDUJH-CQSZACIVSA-N 312.413 2.516 0 50 DFAA CC1(C)NC(=O)N(CCCCOc2ccc(Cl)cc2)C1=O 2845234 COZHVPFILLOREA-UHFFFAOYSA-N 310.781 2.829 0 50 DFAA CCCC[C@H](CC)C(=O)N1CCN(C(=O)c2ccco2)CC1 2865467 AZIDHEXDHXNZGX-AWEZNQCLSA-N 306.406 2.780 0 50 DFAA O=C(O)c1c(N2CC[C@@H](n3ccnc3)C2)noc1-c1ccccc1 2356143023 RDRLOJMUVUWVCH-CYBMUJFWSA-N 324.340 2.688 0 50 DFAA Cc1ccc(F)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356145953 YPXHCHJVVGCGLI-GOSISDBHSA-N 313.376 2.977 0 50 DFAA CN1CCC[C@@]2(CCCN2C(=O)Nc2ccc(Cl)cc2)C1=O 2356151200 WWWOGAUMTIMYTD-MRXNPFEDSA-N 321.808 2.959 0 50 DFAA CCn1c(C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 3877655 DYEJFKJKGDVCNR-UHFFFAOYSA-N 307.419 2.539 0 50 DFAA CCc1ccccc1-c1cnc2cncc(N3CCC(O)CC3)n12 2356157809 RSVKYXAZFFYAPF-UHFFFAOYSA-N 322.412 2.920 0 50 DFAA Cn1nnnc1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 4998586 KBYNRIOAJSOTJW-UHFFFAOYSA-N 307.716 2.875 0 50 DFAA Cc1ccc(C(=O)c2ccc(N3CCOCC3)c(N)c2)cc1C 6701096 UNSUXFDQUVAXTF-UHFFFAOYSA-N 310.397 2.953 0 50 DFAA CC(C)c1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)no1 246829148 URVMTYCEWDSBTK-RISCZKNCSA-N 323.343 2.779 0 50 DFAA Cc1ccc(NCCCNC(=O)c2ccc3nccnc3c2)nc1 119953324 WTAKEUUCNOQDFE-UHFFFAOYSA-N 321.384 2.565 0 50 DFAA C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](C(=O)O)C1 136167184 UXXGHWIGMAGPRH-TZMCWYRMSA-N 307.365 2.718 0 50 DFAA CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 229608779 JKRNDQGKFJBPDZ-ZIAGYGMSSA-N 307.463 2.724 0 50 DFAA COCCNc1ccc(-c2nc(Cc3ccccc3)no2)cn1 39437844 XHHOHIUVKYWYGF-UHFFFAOYSA-N 310.357 2.781 0 50 DFAA C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCCO1 121063366 WHQYXCZFQOEUCG-SZMVWBNQSA-N 316.445 2.725 0 50 DFAA Cn1ncc2c1ncn1nc([C@H]3C[C@@H]3c3ccc(Cl)cc3)nc21 2802202 ZBKFHFYILDRZAF-NEPJUHHUSA-N 324.775 2.936 0 50 DFAA Cn1ncc(Cl)c1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 430218916 MZYOHDOCBSGUQF-SNVBAGLBSA-N 311.735 2.615 0 50 DFAA O=C(c1nccc2ccccc12)N1CCC(c2nnco2)CC1 328592041 QIAFBXPFHFHWFB-UHFFFAOYSA-N 308.341 2.638 0 50 DFAA Cc1nc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)cs1 77339123 RTKWLDNORWQKBH-AWEZNQCLSA-N 317.414 2.668 0 50 DFAA Cc1nc(CCNC(=O)C2(c3cccnc3)CCCC2)c(C)o1 362963536 NIDNDXLRXJVFBQ-UHFFFAOYSA-N 313.401 2.857 0 50 DFAA COC(=O)c1cc(N2CCC[C@H](c3ccccc3C)C2)ncn1 77408031 GBDCFKXDVNSVDH-AWEZNQCLSA-N 311.385 2.956 0 50 DFAA Cc1cc(N2CC(N3CCCC[C@H]3C)C2)n2nc(C)c(C)c2n1 72440892 FZTGZHOTIWYENI-CYBMUJFWSA-N 313.449 2.718 0 50 DFAA Nc1ccnc(CN2CC[C@H](CSc3ccccc3)C2)n1 241383098 MSOBZJJMCSXNDE-ZDUSSCGKSA-N 300.431 2.673 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@@](O)(C2CC2)C1 373256531 OMDSNHGTRCONMG-SFHVURJKSA-N 314.360 2.669 0 50 DFAA N[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cn2)C1 238025257 XHAHMMKEJRASNQ-KGLIPLIRSA-N 302.422 2.528 0 50 DFAA C[C@@H]1OCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@H]1C 157802313 LZFXTJUZLUVKQQ-SOUVJXGZSA-N 310.438 2.687 0 50 DFAA CN(CC1CCOCC1)C(=O)N[C@@H]1CCCOc2ccccc21 158198143 MSPXILACNOOJPX-MRXNPFEDSA-N 318.417 2.968 0 50 DFAA Cc1cc(NCCn2nc(C)c(Cl)c2C)n2nccc2n1 72481651 PRRDPLNKXLZPJG-UHFFFAOYSA-N 304.785 2.617 0 50 DFAA Cc1cccc(N2C[C@H](C)N(C(=O)C3CCCC3)CC2=O)c1 82096178 ACKYVBYFUADQKC-AWEZNQCLSA-N 300.402 2.749 0 50 DFAA CC(C)[C@H]1N(C(=O)COc2ccc(CO)cc2)CC12CCC2 615167365 HJFQXDXKZUFFPC-QGZVFWFLSA-N 303.402 2.595 0 50 DFAA Cn1cc(-c2ccnc(N3CCC[C@H](C(F)(F)F)C3)n2)cn1 82039522 CDHQLMCNIZSMNX-NSHDSACASA-N 311.311 2.656 0 50 DFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(C)C)C2=O)CC1 177674235 CXLOPFFEENWEAP-SFHVURJKSA-N 315.461 2.516 0 50 DFAA Cc1ccc2nc(CCCNC(=O)[C@@]3(C)CCCO3)[nH]c2c1C 426580902 BYTNWWZCBJYOGU-GOSISDBHSA-N 315.417 2.798 0 50 DFAA O=C(c1ccncc1)N1CCC[C@H](c2nccn2CC2CC2)C1 82087439 FCUZKTFATGUXOP-INIZCTEOSA-N 310.401 2.708 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC(C)C)C1 178966317 WPSREDGCXYJXHX-LBPRGKRZSA-N 310.825 2.809 0 50 DFAA CCN(C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O)C(C)C 162800067 UUACURMKDIAWQU-INIZCTEOSA-N 317.433 2.964 0 50 DFAA CC(C)Cn1ncnc1Cn1c(=O)oc2cc(Cl)ccc21 180015669 XRJDOJNYHLEARX-UHFFFAOYSA-N 306.753 2.544 0 50 DFAA C[C@H](NC[C@@H](O)COCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 239426004 VOXVLYOCLFECHB-GPFWEFOESA-N 303.446 2.978 0 50 DFAA Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1CF 294144209 RAGNPDFLKBNUON-JTQLQIEISA-N 311.307 2.583 0 50 DFAA Cn1cc(/C=C/C(=O)N2CCC(C(=O)O)CC2)c2ccccc21 237751934 GUQPTOYGGZSTJS-VOTSOKGWSA-N 312.369 2.515 0 50 DFAA CC(C)(C)NC[C@@H](O)COc1ccc2c(c1)CCC(C)(C)C2=O 96028074 OELSDFGCJSHTKX-CQSZACIVSA-N 319.445 2.970 0 50 DFAA CC(=O)Nc1ccc2nc(CN(C)C[C@@H]3CCOC3)ccc2c1 823709238 PJGRYUNCVMHRDO-AWEZNQCLSA-N 313.401 2.662 0 50 DFAA CCOC(=O)c1cc(-c2ccccc2)nc(N)c1C(=O)OCC 146110393 WQUDWWGLTVDDKP-UHFFFAOYSA-N 314.341 2.684 0 50 DFAA CC(C)c1nsc(CN[C@@H](C)c2nnc3ccccn23)n1 1334772741 RHQBWEXKXABTGZ-JTQLQIEISA-N 302.407 2.555 0 50 DFAA C[C@H]1CN(C(=O)CCc2ccc(F)cc2F)C[C@]1(O)C1CCC1 1565525161 KUNAPAPRJRZVRI-KPZWWZAWSA-N 323.383 2.907 0 50 DFAA CCn1nc(COc2ccc(C(C)(C)C)cc2)nc1CCN 952868931 FFQOWJKVWWIQCF-UHFFFAOYSA-N 302.422 2.676 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1C(=O)N(C)C 952967716 NGNJPTFTAKJALM-GFCCVEGCSA-N 302.374 2.692 0 50 DFAA COc1ncccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 165801154 VTWDUGKJJGRKOR-AWEZNQCLSA-N 317.345 2.597 0 50 DFAA CC[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)c2ccccc2O1 170087260 HNXXTSZVWCBRIH-AWEZNQCLSA-N 311.385 2.965 0 50 DFAA C[C@@H](Nc1ccc(N2CCOCC2)nc1)c1cccc(CO)c1 170068510 CXTCLUFBBCVSCZ-CQSZACIVSA-N 313.401 2.584 0 50 DFAA CC[C@@H]1CCc2sc(C(=O)NOC[C@H]3CCOC3)cc2C1 170606381 JKNKLZAYWAZAEX-NEPJUHHUSA-N 309.431 2.961 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)N1CC[C@H]1Cc1ccccc1 408513076 QEPSSFDYDVRLLI-HNNXBMFYSA-N 318.417 2.745 0 50 DFAA Cc1cnc(CCNC(=O)N[C@H]2CCCc3occc32)s1 408513036 TXQQFHKTPMTNPG-LBPRGKRZSA-N 305.403 2.964 0 50 DFAA CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccncc2)CC1 640444300 ZBORUKLVUKYGSN-NVXWUHKLSA-N 301.434 2.803 0 50 DFAA CC[C@@H](NC(=O)NCc1ccc2ncccc2c1)[C@@H]1CCCO1 194276246 RXYJCGMQXSQMRV-WBVHZDCISA-N 313.401 2.992 0 50 DFAA CCOC(=O)c1nc2ccccc2cc1NC(=O)COC(C)C 585125286 MPJNRBANKIOMRE-UHFFFAOYSA-N 316.357 2.775 0 50 DFAA CC1(C)Cc2ccc(C(=O)NC(C)(C)c3ncccn3)cc2O1 1649996559 SXWBJTHWQAZNSK-UHFFFAOYSA-N 311.385 2.855 0 50 DFAA O[C@@]1(CNc2ncc(Cl)cc2Br)CCSC1 225596114 VXCGKIYESZOLMT-SNVBAGLBSA-N 323.643 2.777 0 50 DFAA O=C(c1ccn[nH]1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212751791 SHKPDARMLDNSGX-AEFFLSMTSA-N 321.380 2.554 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)n(C)n1 12593068 JZKHEQNVPMKGTA-OAHLLOKOSA-N 316.380 2.584 0 50 DFAA OC[C@H]1CCCCN1Cc1nc(Cc2ccccc2Cl)no1 15064956 LQAMWAYOFIMSCG-CYBMUJFWSA-N 321.808 2.661 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 15618247 ILUFJDLJKKHSRI-BETUJISGSA-N 324.446 2.987 0 50 DFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C[C@@]3(C)CC2=O)c(C)c1 169690402 XEHASGGCKVTPLQ-OHQAAIJDSA-N 311.381 2.798 0 50 DFAA Cc1ccc(C)c(CC(=O)Nc2sccc2S(C)(=O)=O)c1 118688386 UGRXLKHTBKEHJG-UHFFFAOYSA-N 323.439 2.950 0 50 DFAA CC[C@H](Cc1ccc(C)cc1)NC(=O)NC[C@H]1CC[C@H](O)C1 252485565 GYYVDEKEWAHVAN-BBWFWOEESA-N 304.434 2.776 0 50 DFAA C[C@@H](O)CN(Cc1nccn1C)[C@H](C)Cc1ccc(Cl)cc1 252507673 WRDWLCGARPQSDM-ZIAGYGMSSA-N 321.852 2.888 0 50 DFAA CCC1(CC)[C@H](NC(=O)Nc2c(C)n[nH]c2C)[C@@H](C)[C@H]1OC 253390726 QDJJNJHDTQJIGF-OWYVNGRQSA-N 308.426 2.988 0 50 DFAA Cc1ccc(C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)s1 262926537 FPFSUKCEFDDGEK-CQSZACIVSA-N 317.366 2.547 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@H]1c1noc([C@@H]2CCCO2)n1 497227160 KYOYDCHDEDMYMC-QWRGUYRKSA-N 309.366 2.993 0 50 DFAA CCCNS(=O)(=O)c1cc(Br)ccc1OCC 6743264 YTUOTEKEWVDEEU-UHFFFAOYSA-N 322.224 2.536 0 50 DFAA O=C(Nc1nccnc1C1CC1)c1ccc(Br)o1 906410906 KWHKFIPQRDRZOT-UHFFFAOYSA-N 308.135 2.962 0 50 DFAA Cc1cccc2cc(C(=O)OC[C@@H]3CCCNC3=O)sc12 835995079 PNIQXRKTZUNKIH-LBPRGKRZSA-N 303.383 2.893 0 50 DFAA Cc1nn(C)c(N2CCC2)c1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 863947869 KIWBCFUPUBAHAU-IHRRRGAJSA-N 302.422 2.703 0 50 DFAA Cc1c(CN2CCO[C@@H](CC(=O)O)C2)oc2ccc(F)cc12 1875283639 YQXZERJKGJTDID-LBPRGKRZSA-N 307.321 2.556 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3ccoc3)C3CC3)n[nH]c21 1875396548 LSXOEWLLKJIVIK-MNOVXSKESA-N 315.373 2.830 0 50 DFAA COC[C@](C)(NC(=O)Nc1nc(C2CC2)ns1)C(F)(F)F 1775993584 GKRGJPHEOKWKPB-JTQLQIEISA-N 324.328 2.504 0 50 DFAA O=S1(=O)C(Br)=C(Br)c2ccccc21 331054 GNRZWFXQDOCWQX-UHFFFAOYSA-N 323.993 2.890 0 50 DFAA CC[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)NC 891378983 AMBMXXRYGJOFAV-MRXNPFEDSA-N 302.418 2.528 0 50 DFAA COc1ccc(CCNC(=O)Cc2cccs2)cc1OC 282989 OJNPGKXRZMNEMT-UHFFFAOYSA-N 305.399 2.667 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)c2cccc(OC)c2)n1 326612 PMMSXDRBJKRQLD-UHFFFAOYSA-N 320.370 2.510 0 50 DFAA CCCN1CCC[C@@]2(CCCN2Cc2scnc2C)C1=O 2356138223 IREDKLYVGDLPJI-MRXNPFEDSA-N 307.463 2.819 0 50 DFAA COc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 2692854 GQVJMDGZRNGSQJ-HOCLYGCPSA-N 301.386 2.786 0 50 DFAA COc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2)cc1OC 6726431 ATLFVXMBVWNDMS-GFCCVEGCSA-N 321.398 2.743 0 50 DFAA CCc1nc(CN2CCC(CNc3cnccn3)CC2)cs1 110599847 NXMOWTJKCFBHJS-UHFFFAOYSA-N 317.462 2.820 0 50 DFAA C[C@@H]1CN(C(=O)NCCCNC(=O)C2CCC2)c2ccccc21 225503738 MIDPCMJTWJIDDI-CYBMUJFWSA-N 315.417 2.626 0 50 DFAA O=C1[C@H]2CCCN2C(=O)c2ccccc2N1CCc1ccccc1 22607229 HPWUCXLIUCNQFX-GOSISDBHSA-N 320.392 2.881 0 50 DFAA biogenic OCc1cc(I)cc(C(F)(F)F)c1 113918397 SDEIKGNIPZOYBL-UHFFFAOYSA-N 302.033 2.802 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(C2CC2)n[nH]1)C(C)C 67921936 JWOQAAKMCNEGDX-UHFFFAOYSA-N 315.421 2.688 0 50 DFAA Cc1cc(Cc2noc(C[C@H]3CCO[C@H](C(C)C)C3)n2)no1 329647761 DZACUVHMFYWUFE-JSGCOSHPSA-N 305.378 2.951 0 50 DFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C2CCNCC2)C1 67966390 DNKMXLACGMUUEC-QGZVFWFLSA-N 300.446 2.652 0 50 DFAA Cc1cc(C)cc(C[C@H](C)NC(=O)NCCc2ccn(C)n2)c1 354765260 FGFGNTDGMHVVEO-HNNXBMFYSA-N 314.433 2.510 0 50 DFAA CN1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 72117231 IQHXLPNEZGKNII-LLVKDONJSA-N 301.217 2.951 0 50 DFAA Cc1ccc(-c2cc(C(F)F)n3nc(C(=O)O)nc3n2)cc1 2800268 GPWOJKGFLRAHHM-UHFFFAOYSA-N 304.256 2.736 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NC[C@@H]2CCCOC2)c1 72454189 QFARZPMPEHRVPQ-HNNXBMFYSA-N 305.418 2.547 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(OC)c1OC 428298133 HUGADMYILVWIHW-UONOGXRCSA-N 307.390 2.525 0 50 DFAA Cc1ccc(C)c(CN2CCN(CC(C)C)[C@H](CCO)C2)c1 39387955 SVZDQLMLWVLCLF-LJQANCHMSA-N 304.478 2.828 0 50 DFAA O[C@H]1CCN(Cc2c[nH]nc2-c2cccnc2)Cc2ccccc21 364944300 QDHJGRVVMCYGQH-SFHVURJKSA-N 320.396 2.911 0 50 DFAA CN(Cc1ncccn1)[C@H]1CCN(Cc2ccccc2Cl)C1 328633837 MIKQEGAGCQEJGM-HNNXBMFYSA-N 316.836 2.836 0 50 DFAA CCCn1ccnc1CN1CCN(Cc2ccccc2C)CC1 72129727 VWMUBSHJDGVAJA-UHFFFAOYSA-N 312.461 2.919 0 50 DFAA CCc1cc(O)nc(-c2ccc(NCC(C)(C)COC)nc2)n1 488671833 FAEJBZPNICVPBF-UHFFFAOYSA-N 316.405 2.891 0 50 DFAA CC(C)(C)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)cc1 330593839 WTKISIDBFMWYJR-GXTWGEPZSA-N 306.381 2.555 0 50 DFAA CN1CCOc2ccc(C(=O)NC3(C)Cc4ccccc4C3)cc21 240321542 FAFJNIOZNMWXTR-UHFFFAOYSA-N 322.408 2.803 0 50 DFAA O=C(Cc1ccc2c(c1)CCC2)NCc1ccc(C(=O)O)s1 263223763 PPZQGAKZYNXDLF-UHFFFAOYSA-N 315.394 2.794 0 50 DFAA COc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1C 72436888 JBPCTSPEFJMLRU-UHFFFAOYSA-N 304.434 2.855 0 50 DFAA CCCN(CC(=O)O)C(=O)c1cc(C)cc(Br)c1 130638734 LTWGWXLMLDJDBA-UHFFFAOYSA-N 314.179 2.694 0 50 DFAA c1ccn2c([C@@H]3CCCN(c4ccc5cc[nH]c5n4)C3)nnc2c1 72162423 POSUNQOYAGVVDL-CQSZACIVSA-N 318.384 2.990 0 50 DFAA CN(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 47977115 VMCNCZOQHKWKKZ-NSHDSACASA-N 309.797 2.672 0 50 DFAA O=C(CNC(=O)c1cc(F)c2ccccc2c1)Nc1cccnc1 339697377 QOWZSSWSCLENPV-UHFFFAOYSA-N 323.327 2.742 0 50 DFAA CC(=O)OC[C@H]1OC=C[C@@H](Sc2ccccc2)[C@@H]1OC(C)=O 43763096 LMCIXUNCWVBWTC-BZUAXINKSA-N 322.382 2.555 0 50 DFAA CC[C@@H](NC(=O)c1cnc(C2CC2)nc1O)c1ccc(C)cn1 426562989 AOUPKHYIINVLMU-CYBMUJFWSA-N 312.373 2.644 0 50 DFAA O=C(NCCc1cnc[nH]1)[C@]1(c2ccccc2)CC12CCCC2 426733937 AFMDURBFBCZYRE-LJQANCHMSA-N 309.413 2.971 0 50 DFAA Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H](C(=O)O)C3)c2c1 178273943 SFCBOKCMNSHEII-CYBMUJFWSA-N 324.380 2.967 0 50 DFAA CSc1cccc(CN2CCN(C3CCCC3)C(=O)C2)c1 97654060 XVIMPBARSYRJJU-UHFFFAOYSA-N 304.459 2.995 0 50 DFAA CCOCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1)C2 92066531 BUIBEARVQFSWHM-ZWKOTPCHSA-N 318.461 2.628 0 50 DFAA CCN(Cc1ccc(C(=O)N2CCC[C@@H]2CO)cc1)C(C)C 179614150 GYZPXIABTIGJFD-QGZVFWFLSA-N 304.434 2.514 0 50 DFAA CCn1cncc1CNCc1cc(=O)c2cc(C)cc(C)c2[nH]1 91725216 ZBIZSRNKKUFZPS-UHFFFAOYSA-N 310.401 2.651 0 50 DFAA OC[C@@]1(CC2CC2)CCCN(C2CSCCSC2)C1 91575374 RIDZFKWSUAEWQV-OAHLLOKOSA-N 301.521 2.710 0 50 DFAA Cc1noc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)n1 244899874 ZRYIZPPPCAFAIK-UHFFFAOYSA-N 307.781 2.515 0 50 DFAA O=C(Cc1csc(-c2ccccc2)n1)N1CCc2n[nH]cc2C1 341868423 PFLLXAUSBFGOII-UHFFFAOYSA-N 324.409 2.661 0 50 DFAA CN1CCC[C@@H](CCC(=O)NCC2(N(C)C)CCCCCC2)C1 534645441 UTGGFHPRGYHFSA-KRWDZBQOSA-N 323.525 2.879 0 50 DFAA C[C@@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)c1nc(C2CC2)no1 534648633 WIQMUUKDJZDFMQ-SNVBAGLBSA-N 323.356 2.828 0 50 DFAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3nccn3C)c2)n1 622708680 GPZHWIKEWKAQLM-UHFFFAOYSA-N 309.373 2.534 0 50 DFAA CN(C)c1ccc2cc(NC(=O)[C@H]3CCCC(=O)N3)ccc2c1 685939999 GVPRLLAFUJJIRK-MRXNPFEDSA-N 311.385 2.513 0 50 DFAA COc1cccc(C)c1C(=O)N[C@@H](CC(=O)O)c1ccccc1 952967317 HLUIWSIYSGUDEH-AWEZNQCLSA-N 313.353 2.949 0 50 DFAA C[C@H](Cc1ccccc1Br)Nc1nccn(C)c1=O 268277717 AIOWOKDFXCQEOD-SNVBAGLBSA-N 322.206 2.586 0 50 DFAA CCn1ncc2cc(C(=O)Nc3cnn(C4CCC4)c3)c(C)nc21 889055612 KQVPXIQHPZLAPK-UHFFFAOYSA-N 324.388 2.933 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(F)c(COC)c1 277130721 BFBOWNPGPZCDKN-HOCLYGCPSA-N 309.381 2.794 0 50 DFAA CN(CCC(=O)N[C@@H]1COc2ccccc2C1)C1CCCCC1 170597797 SOFYQMVBXBWBDQ-INIZCTEOSA-N 316.445 2.761 0 50 DFAA Cc1ccc2c(c1)SCCCN2C(=O)C[C@@H]1COC(=O)C1 187216305 WAPCLSSRJWJKIE-LBPRGKRZSA-N 305.399 2.777 0 50 DFAA O=C(Cc1cncs1)Nc1ccc2c(c1)CCCC(=O)N2 188529094 ZDIOWMFIDUBOLN-UHFFFAOYSA-N 301.371 2.599 0 50 DFAA CC1(C)[C@H](NC(=O)c2cnns2)C[C@H]1OCc1ccccc1 187437450 BGDCZJKNPSNPEW-ZIAGYGMSSA-N 317.414 2.652 0 50 DFAA CC(C)(C)n1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)nn1 190020391 AZOVCRVBOZEDQJ-ZDUSSCGKSA-N 302.353 2.590 0 50 DFAA Cc1ncsc1CN(C)C[C@H]1CCN(Cc2cscn2)C1 190461852 WPFLTFGYGYDCKV-CYBMUJFWSA-N 322.503 2.862 0 50 DFAA COc1cc(C(=O)N(CC(=O)O)Cc2ccccc2)ccc1F 190739374 ZZSCQAMGKMGBDC-UHFFFAOYSA-N 317.316 2.561 0 50 DFAA COCCc1cc(NC(=O)Nc2cccc3[nH]ccc23)n(C)n1 192283638 SWEASCPZAWZNLE-UHFFFAOYSA-N 313.361 2.734 0 50 DFAA Cc1nc(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c(C)o1 660291400 XYFYAFBTIWBLLE-ZDUSSCGKSA-N 306.328 2.817 0 50 DFAA CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(CC(=O)O)cc2)C1 668281842 DNQLCQFWZVBXEG-ZFWWWQNUSA-N 305.374 2.848 0 50 DFAA O=C(NCCc1c[nH]cn1)c1csc(-c2cccs2)n1 72126698 YTNYPKGLBJBBTM-UHFFFAOYSA-N 304.400 2.567 0 50 DFAA CCCCNS(=O)(=O)c1cc(C)cc(Br)c1 38536936 PFYFYGOHARPIMD-UHFFFAOYSA-N 306.225 2.836 0 50 DFAA in-vitro CCOC(=O)C1CCN(C/C=C/c2ccccc2OC)CC1 278175 VLZUZJUYIBNJKG-SOFGYWHQSA-N 303.402 2.984 0 50 DFAA COc1nccnc1N[C@H]1CCCN(Cc2cccs2)C1 1529168611 HNYJJLCEOVRKIX-LBPRGKRZSA-N 304.419 2.623 0 50 DFAA CCc1nn(C)c(NC(=O)CN(C)Cc2ccc(C)cc2)c1C 1529152457 LMUYRWNXVFOHFH-UHFFFAOYSA-N 314.433 2.670 0 50 DFAA CSCC[C@H](N)C(=O)N(C)Cc1ccc(F)cc1Cl 159189598 GCICKAIXYMELFR-LBPRGKRZSA-N 304.818 2.518 0 50 DFAA Cc1sc(CNC(=O)C[C@H]2CCC[C@@H](C)C2)nc1C(=O)O 1857531835 OXCFDLLGFBAXMP-KOLCDFICSA-N 310.419 2.982 0 50 DFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4ccccc4)c3CC2)no1 1857682385 OWHZJORUHRWFCS-UHFFFAOYSA-N 322.368 2.614 0 50 DFAA CC[C@@H](O)Cn1ccnc1-c1cc2ccc(OC)cc2nc1O 1857704807 GVDAUMJKDVBOBA-GFCCVEGCSA-N 313.357 2.583 0 50 DFAA C[C@H](Sc1nccn1C)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 225414653 LWZHPTIQMHHHPG-QMVSFRDZSA-N 307.463 2.842 0 50 DFAA O=C(N1CCC[C@H](n2ccnn2)C1)C1(C(F)(F)F)CCCC1 333270610 KKAWVBAJODOJCV-NSHDSACASA-N 316.327 2.564 0 50 DFAA FC(F)(F)Cn1nnnc1CN1CCCC[C@H]2CCCC[C@H]21 241739126 RAFXXDFIDIJFEI-VXGBXAGGSA-N 317.359 2.780 0 50 DFAA CCn1cnnc1[C@H]1CN(CC[C@@H](C)c2ccccc2)CCO1 252539446 NZSQAKYQTSCRQV-NVXWUHKLSA-N 314.433 2.865 0 50 DFAA O=C(NC[C@]1(c2ccccc2)CCCO1)c1ccc2nc[nH]c2c1 900720632 LLVYAIQFSXAVCB-IBGZPJMESA-N 321.380 2.999 0 50 DFAA CCc1onc(C)c1CN1CCc2cccc(C(=O)O)c2C1 903901877 RUGFBUDXJMOROP-UHFFFAOYSA-N 300.358 2.802 0 50 DFAA CN(Cc1ccccc1)C(=O)N1CCC[C@@H](n2ccnn2)CC1 824526140 WTSWHHOTSXXTJY-MRXNPFEDSA-N 313.405 2.557 0 50 DFAA COc1ccc(C2CCN(C(=O)[C@H](C)CSC)CC2)cn1 863948049 XQZFTXOEMSDZBV-GFCCVEGCSA-N 308.447 2.795 0 50 DFAA Cc1ccccc1CN1CCC2(CC1)C[C@@H]2NC(=O)c1cc[nH]n1 952892736 BZFMODHPTHAWQS-KRWDZBQOSA-N 324.428 2.503 0 50 DFAA Cn1nnnc1-c1ccccc1NC(=O)C[C@H]1CCC(F)(F)C1 876314528 DDCZBCVTHQEFOO-SNVBAGLBSA-N 321.331 2.641 0 50 DFAA CCc1cc(C)[nH]c(=NCc2cncc(Br)c2)n1 1875287841 CCMUOWDXHPNKMB-UHFFFAOYSA-N 307.195 2.539 0 50 DFAA C[C@H]1OCC[C@H]1Cc1noc(-c2ccc(-c3cnn(C)c3)o2)n1 1875299078 YCQJAZRGOSGCAN-MNOVXSKESA-N 314.345 2.698 0 50 DFAA Cc1nc2ccccn2c1CNC(=O)NC[C@@H]1Cc2ccccc21 892252793 ZMULNHNEFXMGKB-HNNXBMFYSA-N 320.396 2.782 0 50 DFAA Clc1ccc(OCCN2CCOCC2)c(Br)c1 20117968 BALAQHFXFBWGEU-UHFFFAOYSA-N 320.614 2.814 0 50 DFAA COc1cc(Nc2nc(C)cc3c2C(=O)OC3)cc(OC)c1 2100537530 PHJXFWNIIRAGJA-UHFFFAOYSA-N 300.314 2.821 0 50 DFAA CC1([C@@H](N)C(=O)N2[C@H]3CC[C@H]2CC(CC(F)(F)F)C3)CC1 2325768862 ZBEZDGJYMPLSKG-SRVKXCTJSA-N 304.356 2.836 0 50 DFAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)c1ccc(C2CCC2)nc1 2325778148 DJDDKASMFFCGIO-IXYNUQLISA-N 314.385 2.578 0 50 DFAA CC1(C)CNC[C@@H](c2nc(Cc3ccc(Cl)cc3)no2)O1 2325778158 FHUJOHZXDKKIHD-LBPRGKRZSA-N 307.781 2.753 0 50 DFAA CCc1nccn1C[C@H](C)NC(=O)c1cc2c(C)cccn2c1 2325782698 XFWGAJYECCHIPX-AWEZNQCLSA-N 310.401 2.825 0 50 DFAA CCCC(=O)c1cc(F)ccc1OC[C@H](O)CNC(C)(C)C 112 NMBNQRJDEPOXCP-CYBMUJFWSA-N 311.397 2.936 0 50 DFAA in-man CCC(CC)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 104816 GIYKHZSCLFNVLJ-UHFFFAOYSA-N 301.390 2.859 0 50 DFAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 194235 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101192680 BCAHZSKBSMOPGE-INIZCTEOSA-N 323.331 2.877 0 50 DFAA COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 28498154 RJDFTUYKSWIVJB-UHFFFAOYSA-N 311.790 2.827 0 50 DFAA C[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)c1ccccc1 20400147 NPXRVNDJTKDZCH-NWDGAFQWSA-N 302.399 2.744 0 50 DFAA COc1ccc(CNS(=O)(=O)Cc2cccc(C)c2)cc1 23114620 PMNZUJIDYASUAK-UHFFFAOYSA-N 305.399 2.623 0 50 DFAA CCc1cn[nH]c1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 67849889 WNDGTPWSCILUEZ-UHFFFAOYSA-N 323.400 2.868 0 50 DFAA Cc1cccnc1C[C@H](C)Nc1ccc(-c2nccn2C)nn1 67981625 ZTIBVLMVGNWINL-ZDUSSCGKSA-N 308.389 2.624 0 50 DFAA C[C@H](NCc1cn[nH]c1-c1cccs1)C(=O)NC1CCCC1 67723432 NTQPHMZBVJDULQ-NSHDSACASA-N 318.446 2.675 0 50 DFAA CCN(CC)Cc1nnc2sc(-c3ccccc3OC)nn12 61722126 BGKIZNFLSPAULA-UHFFFAOYSA-N 317.418 2.703 0 50 DFAA Cc1ccc(C)c(Oc2ccc(CN3C(=O)CNC3=O)cn2)c1 348363469 FDBAITTXIQQETB-UHFFFAOYSA-N 311.341 2.543 0 50 DFAA CC(C)N1CC[C@@H](NC(=O)N2CCC2)[C@H]1c1ccc(F)c(F)c1 252512574 SLJFLFHHKIMFMZ-HZPDHXFCSA-N 323.387 2.904 0 50 DFAA CC(C)CCC[C@H]1CN(S(=O)(=O)c2ccsc2)CCO1 39537932 OPYLVBXLRLUZOW-ZDUSSCGKSA-N 317.476 2.964 0 50 DFAA CN1CC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 155413485 IGDXXJGMILVEHN-JTQLQIEISA-N 317.311 2.658 0 50 DFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2nc(C(C)C)no2)C1 368844545 NRWQLQUPDQBJKQ-CYBMUJFWSA-N 320.393 2.589 0 50 DFAA O=c1c2ccncc2ncn1Cc1scnc1-c1ccccc1 32518052 ANUHSGOSRLZCOD-UHFFFAOYSA-N 320.377 2.963 0 50 DFAA CN1Cc2ccccc2[C@@H](NC(=O)c2cc(-c3ccco3)[nH]n2)C1 371364436 NKPJIDWMVSMXCT-INIZCTEOSA-N 322.368 2.586 0 50 DFAA C[C@@H](NC(=O)c1ccc(C(=O)O)cc1)[C@@H]1COc2ccccc21 237513428 FZSXATDAABDAMT-ABAIWWIYSA-N 311.337 2.679 0 50 DFAA CCc1n[nH]cc1C(=O)N1CCN(c2ccccc2C)C[C@H]1C 77337828 MDESYARMZBZYEY-CQSZACIVSA-N 312.417 2.631 0 50 DFAA O=C(Nc1ccccc1CCO)c1ccccc1[C@H]1CCNC1 72153117 GSVVDEUMPCZLKQ-HNNXBMFYSA-N 310.397 2.551 0 50 DFAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1ccc2c(c1)CCCO2 178494867 ZNGVRNIXPSEJSU-LQDVMPOASA-N 300.402 2.871 0 50 DFAA O=C(NCCc1cc[nH]n1)c1ccc2cccc(Cl)c2n1 426589831 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CCn1cc(C(=O)N(C[C@H](C)C(=O)O)C2CC2)c2ccccc21 180220247 CMMWAKLMTJHRGO-LBPRGKRZSA-N 314.385 2.987 0 50 DFAA CC(C)Cc1nc(CN2C(=O)OC[C@@H]2c2ccccc2)no1 95511670 LABMYQLTDXEZPP-CYBMUJFWSA-N 301.346 2.962 0 50 DFAA CC[C@@H](C)Oc1cc(CNC(=O)c2cc(C3CC3)[nH]n2)ccn1 180848042 IWVVCAAPPNTMNZ-LLVKDONJSA-N 314.389 2.789 0 50 DFAA COCCN(Cc1ccc(C)s1)C(=O)[C@H]1CCCCN1C 97505571 GLBFPLAJSHOGSF-OAHLLOKOSA-N 310.463 2.516 0 50 DFAA CC(C)C1=NO[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 299801411 YIJQUTZGWUQUNQ-OAHLLOKOSA-N 322.792 2.731 0 50 DFAA CC(C)c1ccc(N2C[C@H](C(=O)NC3CCC3)CC2=O)cc1 822264147 BCQILCQZFIPMNP-CQSZACIVSA-N 300.402 2.832 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@H]2CCc3ccccc32)nc(O)n1 952982581 BDGNMTSJQWHVSS-HNNXBMFYSA-N 311.385 2.798 0 50 DFAA CC[C@@H]1C=CCN1S(=O)(=O)c1ccc(-c2onc(C)c2C)o1 952967959 IMBZJZFFCSTJOF-GFCCVEGCSA-N 322.386 2.891 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc3nsnc3c1)C2 1565514684 QSKISODACGUCDS-CABCVRRESA-N 316.474 2.998 0 50 DFAA CO[C@H]1COCC[C@@H]1NC(=O)c1oc2cc(C)ccc2c1C 1565529375 BTVCMPBIFRLQOK-ZFWWWQNUSA-N 303.358 2.583 0 50 DFAA Cc1cnc(C)c(NCC2(N3CCOCC3)CCCCC2)n1 301066389 ZOPLVKAPXOYUDV-UHFFFAOYSA-N 304.438 2.540 0 50 DFAA Cc1csc(S(=O)(=O)N(C)CC[C@H]2CCCCO2)c1 952988156 BLEJBVLNOMOJGQ-GFCCVEGCSA-N 303.449 2.636 0 50 DFAA O=C(CSC[C@@H]1CCCCO1)Nc1nc(C(F)(F)F)c[nH]1 269560419 YCGNTCMOBLUCPK-QMMMGPOBSA-N 323.340 2.669 0 50 DFAA NC(=O)c1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 275460531 HBPBFOHSQREKMP-KRWDZBQOSA-N 324.428 2.725 0 50 DFAA CC(C)(N)c1cc(C(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)on1 638472030 ALLPIYDZJVVODF-HUUCEWRRSA-N 313.401 2.790 0 50 DFAA Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C(=O)O)C1CCCC1 663108471 QQJMDCUFHHERJW-MRXNPFEDSA-N 318.417 2.886 0 50 DFAA O=C(CCC(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 677976210 PGLKXGAWDBHZIK-SNVBAGLBSA-N 316.327 2.731 0 50 DFAA COCc1nc(C)cc(N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 585092733 LRIFRLPEPDWHJQ-OAGGEKHMSA-N 319.449 2.841 0 50 DFAA CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCc1noc2ccccc12 585115757 RCDWBMKKUXIBMN-WFASDCNBSA-N 322.430 2.821 0 50 DFAA COC[C@@H]1CN(Cc2cccc3[nH]ccc23)C[C@H]1c1cnn(C)c1 585655667 XLTRUHQZEMUGMA-WMZOPIPTSA-N 324.428 2.763 0 50 DFAA CC(C)C[C@H]1C[C@@H]1C(=O)N1CCCN(c2ccncc2)CC1 1616041530 ZBORUKLVUKYGSN-RDJZCZTQSA-N 301.434 2.803 0 50 DFAA Cc1cc(C)cc(OCCCN(C)C[C@@H]2CCC(=O)N(C)C2)c1 1775982070 PSPPMXYWDZCZLZ-KRWDZBQOSA-N 318.461 2.873 0 50 DFAA COc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F 5016733 XPHVDISZRVEISJ-UHFFFAOYSA-N 307.346 2.586 0 50 DFAA CC(C)C(=O)N(c1cccc(Cl)c1)[C@H]1C=CS(=O)(=O)C1 5070620 WBOCERQBMRTAGL-ZDUSSCGKSA-N 313.806 2.640 0 50 DFAA O=C(O)Cc1ccc(-n2c(-c3ccncc3)n[nH]c2=S)cc1 5813707 RFMLYQZRDBZNEZ-UHFFFAOYSA-N 312.354 2.619 0 50 DFAA C[C@@H](Sc1ccc2ccccc2n1)C(=O)N1CCOCC1 11907389 PEKCZROCUVVVHC-GFCCVEGCSA-N 302.399 2.574 0 50 DFAA COc1ccc(C(=O)Nc2cc3c(cc2C)OCO3)cc1OC 12446800 HPPOQVMYMMZSHW-UHFFFAOYSA-N 315.325 2.993 0 50 DFAA biogenic,in-vitro CN(C)C[C@H](NC(=O)c1cccnc1)c1ccc(Cl)cc1 225790890 MFZDLZSDAUPDMZ-HNNXBMFYSA-N 303.793 2.768 0 50 DFAA CC(C)[C@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 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0 50 DFAA CCn1cncc1CN1CCC(N(C)Cc2ccccc2)CC1 670442150 SDXPQJWRDCVGTH-UHFFFAOYSA-N 312.461 2.999 0 50 DFAA Cc1ccc2c(c1)c1c3n2CCN(S(C)(=O)=O)[C@H]3CCC1 105618 WFJATFKWWNOJLD-HNNXBMFYSA-N 304.415 2.602 0 50 DFAA COc1ccc(F)c(CN=c2ccnc(C3(C)CC3)[nH]2)c1OC 2325771096 POYJPXJPLHYRAJ-UHFFFAOYSA-N 317.364 2.718 0 50 DFAA Cc1[nH]c2ccccc2c1NC(=O)c1cc2n(n1)CCC[C@@H]2N 2325801429 HWFXXQBTXYTFTB-LBPRGKRZSA-N 309.373 2.719 0 50 DFAA COc1cccc(C(=O)NC(=S)Nc2cc(C)ccn2)c1 450606 OABIZIYUXYKNQY-UHFFFAOYSA-N 301.371 2.525 0 50 DFAA COc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1OC 496546 USEBNFCODWGZNI-UHFFFAOYSA-N 315.325 2.727 0 50 DFAA O=C(c1ccccc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 1235574 WPEAPXCOOVMMSS-MRXNPFEDSA-N 313.378 2.644 0 50 DFAA CCOC(=O)C(CCCOc1ccccc1F)C(=O)OCC 2880371 PAOIGWCQTFEKMV-UHFFFAOYSA-N 312.337 2.727 0 50 DFAA Cc1cc(C)cc(-n2nc([C@H](C)O)nc2[C@H]2CC[C@@H](N)CC2)c1 2356168950 IWILQJUHIWUXKQ-SOUVJXGZSA-N 314.433 2.922 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1 4866908 LBUTXNWYZPOZHN-NHYWBVRUSA-N 310.419 2.502 0 50 DFAA CCc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C)C3)CC2=O)cc1 8261754 MRICHWIJLYOVCL-GOEBONIOSA-N 314.429 2.860 0 50 DFAA CCn1cc(CCN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 348318187 OSFDXYNQVNPDKB-YOEHRIQHSA-N 321.371 2.532 0 50 DFAA O=C(O)CCCN1CCC(CN2CCc3ccccc32)CC1 116400534 BFRDBQOHUYLUQE-UHFFFAOYSA-N 302.418 2.626 0 50 DFAA CN1c2ccccc2[C@H](O)c2ccc(Cl)cc2S1(=O)=O 21301615 KBRSJPHSCOAFDR-AWEZNQCLSA-N 309.774 2.560 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)n2ncc3ccccc3c2=O)cc1 65364316 UHVBAHQUZLUNFU-ZDUSSCGKSA-N 307.353 2.905 0 50 DFAA Cc1cc(N(C)CCCn2cccn2)nc(-c2cccnc2)n1 65500487 AXMCNMJPQNAWKE-UHFFFAOYSA-N 308.389 2.570 0 50 DFAA CCCc1cc(CN(C)C(=O)c2ccc(F)c(OC)c2F)n[nH]1 67713971 MLNJBNJXTJFXJF-UHFFFAOYSA-N 323.343 2.921 0 50 DFAA Cc1cccc2cc(CN(C)CCCc3cnn(C)c3)c(=O)[nH]c12 67739925 DCYXHZOPLZREIY-UHFFFAOYSA-N 324.428 2.635 0 50 DFAA C[C@@H](c1nccs1)N(C)C(=O)c1cc(-c2cccn2C)n[nH]1 67587657 IKMXXGDIFSPJTP-JTQLQIEISA-N 315.402 2.705 0 50 DFAA CC[C@@H](O)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67908103 SHYFVSFRHCRROU-CQSZACIVSA-N 322.311 2.539 0 50 DFAA N[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1c1ccccc1F 424039362 NUEDERYCQSCLPU-FUHWJXTLSA-N 324.399 2.811 0 50 DFAA C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@H]21)n1cnc2ccccc21 230261043 BRMORTARXPAUOO-KBRIMQKVSA-N 313.401 2.767 0 50 DFAA CCn1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cn1 2769282 HVDUJNMOOVUUNZ-UHFFFAOYSA-N 313.336 2.539 0 50 DFAA COCCOC1CCC(C(=O)Nc2c(C)ccnc2C)CC1 331249716 YRVGXPBGIKZJML-UHFFFAOYSA-N 306.406 2.859 0 50 DFAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(C(F)(F)F)cc1 252446366 SHHQESFPDIPHNF-WHGOUJPWSA-N 301.264 2.603 0 50 DFAA CN(C)CCNc1nc(-c2ccccc2)nnc1C(F)(F)F 6177147 PKQXZEBBMUPTPF-UHFFFAOYSA-N 311.311 2.531 0 50 DFAA Nc1nnc(CCCNc2nccc(C3CCCC3)n2)s1 71575247 RQPKNHGZQUCJKX-UHFFFAOYSA-N 304.423 2.613 0 50 DFAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(O)c(F)c1 217597290 UMBUMRQLHPEYEO-UHFFFAOYSA-N 319.723 2.991 0 50 DFAA Cn1cccc1C(=O)N1CCCN(CC2CCCCC2)CC1 365356369 IFAVNTDQNKGILI-UHFFFAOYSA-N 303.450 2.753 0 50 DFAA CCCc1nc(N2CCC[C@@H](CCOC)C2)c2cnn(C)c2n1 72164983 YBGQSVGKDWROJX-ZDUSSCGKSA-N 317.437 2.569 0 50 DFAA COc1ccc(-c2nnc(NC(=O)Nc3cn[nH]c3)s2)cc1 130725685 DXUXJMCIDPKVMA-UHFFFAOYSA-N 316.346 2.581 0 50 DFAA CCc1nc(C2CCN(C(=O)N(C)C3CCCC3)CC2)n[nH]1 374544232 QHMOFEKVPZWTEF-UHFFFAOYSA-N 305.426 2.541 0 50 DFAA Cc1nc(C2CC2)sc1C(=O)N1CC[C@]2(CCCOC2)C1 606443418 AWKKZJZDLLCQBF-MRXNPFEDSA-N 306.431 2.972 0 50 DFAA O=C(COCc1ccccc1)N1CC[C@H](O)c2ccccc2C1 378626910 ARNNBPSBVNUXSR-SFHVURJKSA-N 311.381 2.669 0 50 DFAA CC(C)c1nccc(C(=O)NCCc2nc3c(s2)CCC3)n1 426485472 ABBZQOXYAAPHOE-UHFFFAOYSA-N 316.430 2.518 0 50 DFAA O=C(c1ccc2cccc(Cl)c2n1)N1CC(n2cccn2)C1 426739104 UGVFMVFIUINXTI-UHFFFAOYSA-N 312.760 2.782 0 50 DFAA CNC[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 179029669 XPTDRCKAWBNHST-SECBINFHSA-N 304.287 2.526 0 50 DFAA O=C(CCc1cn2ccccc2n1)N1CCc2sccc2C1 97675560 YDUUETHAZIWVQD-UHFFFAOYSA-N 311.410 2.913 0 50 DFAA Fc1cccc2ncnc(N3CCN[C@H](c4ccccc4)C3)c12 92038943 NVQFKNPAQNZSLI-INIZCTEOSA-N 308.360 2.920 0 50 DFAA Cc1cc(F)ccc1CNc1ccc(N2CCN(C)CC2)nc1 162873914 WUQZRBVGUZTNQX-UHFFFAOYSA-N 314.408 2.893 0 50 DFAA CC(C)N1CN(C[C@H]2CCCO2)c2nc3ccccc3n2C1 244718715 LPSHCAILUVKNSV-CQSZACIVSA-N 300.406 2.661 0 50 DFAA CCCCN1CCOC[C@@H]1C(=O)Nc1ncc(C(C)C)s1 184450068 KCZNWEGUMJKOCL-GFCCVEGCSA-N 311.451 2.706 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@@H](CC(=O)O)CC2)cc1 299744472 OXVWYCVKLQKCAC-CYBMUJFWSA-N 305.374 2.550 0 50 DFAA CN(C(=O)CCc1cccc(Cl)c1Cl)[C@H]1CCNC1 299740252 XOIZDSYFNROYPQ-NSHDSACASA-N 301.217 2.746 0 50 DFAA N[C@H]1CCC[C@@H](C(=O)Nc2ccccc2CN2CCCC2)C1 387528766 PPAPTQSIMAEDAV-ZBFHGGJFSA-N 301.434 2.738 0 50 DFAA Cc1cc(C)nc(-c2cccc(C(=O)NC[C@H]3CCOC3)c2)n1 299767507 LMRCSWZHJUOJEC-CQSZACIVSA-N 311.385 2.527 0 50 DFAA Cc1c(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)ccn1C 584891095 QNADSGHGDZPOOI-UHFFFAOYSA-N 314.364 2.712 0 50 DFAA CN(Cc1ccc(CC(=O)O)cc1)Cc1noc(C2CCC2)n1 670437697 OFPRJGGXMMFMAH-UHFFFAOYSA-N 315.373 2.596 0 50 DFAA Cc1nccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 67648967 NZASHWGIQCRZJQ-UHFFFAOYSA-N 309.348 2.689 0 50 DFAA CCn1c(SCCn2ccnc2C)nnc1-c1ccco1 270692671 YDXVBHUVKQCIBQ-UHFFFAOYSA-N 303.391 2.855 0 50 DFAA CCN(Cc1cccs1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275357332 VRQSTPAWQBBEMK-LLVKDONJSA-N 305.403 2.637 0 50 DFAA Cc1nc(CNCc2ccc(N3CCOC3=O)cc2)cs1 170593999 LXYGGEKYIPVXJR-UHFFFAOYSA-N 303.387 2.698 0 50 DFAA C[C@H]1CCCN1S(=O)(=O)Nc1cccc2ccc(O)cc12 408288263 XGBCLEDNOOKGMW-NSHDSACASA-N 306.387 2.686 0 50 DFAA O=C(Cc1ccc(O)nc1)Nc1ccc(OC2CCCC2)nc1 408522214 FNOPIZQDBPOOGY-UHFFFAOYSA-N 313.357 2.685 0 50 DFAA CCCN(Cc1nc(C(=O)OC)co1)[C@H]1C[C@@H](OCC)C1(C)C 408519490 GVZGYEMOFXMCCH-UONOGXRCSA-N 324.421 2.877 0 50 DFAA Cc1c(Cl)c(C(=O)N2CCCOc3ccccc32)nn1C 643312174 OAISTRKEJRSEFN-UHFFFAOYSA-N 305.765 2.811 0 50 DFAA Cc1ccc(NC(=O)Nc2ccn(Cc3ccncc3)n2)c(C)n1 192417551 NDFPVOUGRHAQFZ-UHFFFAOYSA-N 322.372 2.982 0 50 DFAA COc1ccc2oc([C@H](C)NC(=O)c3n[nH]nc3C)c(C)c2c1 194055431 YXVYRWAZVHPGQO-JTQLQIEISA-N 314.345 2.667 0 50 DFAA Cn1cc(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1 195262163 AKZHQMXSEMSBKK-OAHLLOKOSA-N 303.793 2.980 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1)N1CC[C@H](CNc2ccccn2)C1 195515632 ASWKPKOETKLQGU-JKSUJKDBSA-N 324.428 2.843 0 50 DFAA CC(C)CCc1ccc(N2C(=O)N[C@](C)(CCF)C2=O)nc1 656581639 MBVAZDYERMLDIP-MRXNPFEDSA-N 307.369 2.845 0 50 DFAA Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc(C)c(O)c(C)c1 671126741 NLDHGMPWIRFBOS-GOSISDBHSA-N 324.424 2.991 0 50 DFAA O=C(O)CCN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc21 678974168 UUEUWCSXEYPVJU-KRWDZBQOSA-N 309.365 2.830 0 50 DFAA C[C@@H]1CCOCCN1C(=O)Cc1csc(-c2ccoc2)n1 775252652 GNPWSQSDHMKYBI-LLVKDONJSA-N 306.387 2.583 0 50 DFAA O=C(CCCc1ccccc1)N[C@H]1COC[C@@H]1Cc1ccncc1 1615737495 SOIROUZCSKXXLI-OALUTQOASA-N 324.424 2.778 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C 2921476 PMYUXOBZZYRMQE-JTQLQIEISA-N 319.232 2.829 0 50 DFAA O=C(CCC(F)(F)F)N1CCC(c2ccnc(O)c2)CC1 1857684787 DGZKNDAPGYCZGT-UHFFFAOYSA-N 302.296 2.836 0 50 DFAA Cc1c(C(=O)N2CCN(C)CC2)n(C)c2ccc(Cl)cc12 12652550 HUEPKTFIHCLEFU-UHFFFAOYSA-N 305.809 2.528 0 50 DFAA Cc1cc(=O)c2cc(C(=O)NCCc3cccs3)ccc2[nH]1 17070384 JPQNFPJHYPYELZ-UHFFFAOYSA-N 312.394 2.871 0 50 DFAA CN(C)CCCOc1cccc(-c2nccn2[C@H]2CCOC2)c1 1857679118 XCSKJSHRBCPUPS-INIZCTEOSA-N 315.417 2.842 0 50 DFAA CC(C)n1cncc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1857683182 FFWWLEWUKIPVDF-UHFFFAOYSA-N 321.384 2.603 0 50 DFAA O=C(O)CCc1ccccc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875245249 RFLJXLHYMQHBPL-MRXNPFEDSA-N 309.365 2.974 0 50 DFAA COc1ccc(-c2cn(CCc3ccnn3C)nn2)c(Cl)c1 641114561 DLPKROPRNDDVCW-UHFFFAOYSA-N 317.780 2.583 0 50 DFAA C[C@@H](CN(C(=O)[C@@H]1CSc2ccccc21)C1CC1)C(=O)O 237451687 LGRZCWPKPMJYPN-GXFFZTMASA-N 305.399 2.588 0 50 DFAA CC(C)c1nccc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 132183427 QJILFBJSESKDRL-CQSZACIVSA-N 302.422 2.803 0 50 DFAA O=C(c1csc([C@H]2CCCO2)n1)N(CC(F)F)C1CC1 132172347 UPUCLLDNGMQFFP-SNVBAGLBSA-N 302.346 2.864 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 363174597 BOVDILYDKNWVSK-UHFFFAOYSA-N 324.340 2.741 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCC[C@H]2c2cccs2)n1 262673339 XRUSMDVGQKJPCV-LBPRGKRZSA-N 302.355 2.819 0 50 DFAA CCn1cc(NC(=O)c2csc(C(C)(C)C)n2)ccc1=O 263729645 ZNXXRAYKDGMYEF-UHFFFAOYSA-N 305.403 2.875 0 50 DFAA COc1cc([C@H](C)NC[C@@H](c2ccco2)N2CCCC2)on1 863983153 CSQGICUESNYIAZ-STQMWFEESA-N 305.378 2.764 0 50 DFAA Cc1nc(NC(=O)N2CC(c3ncc(C4CC4)cn3)C2)oc1C 1875282341 YWAIAWQNBKLKJL-UHFFFAOYSA-N 313.361 2.590 0 50 DFAA O=C(NCc1ccc(C2CCC2)cc1)c1nc[nH]c2ncnc1-2 1875282049 KZFVRJWGCRDVJK-UHFFFAOYSA-N 307.357 2.502 0 50 DFAA Cn1ccnc1[C@H]1CCCN1C(=O)CC1(CC(=O)O)CCCC1 1875270896 YCOOILHEZLNTSK-CYBMUJFWSA-N 319.405 2.509 0 50 DFAA Cn1ncc(-c2nc([C@@H]3CCOC3(C)C)no2)c1C(F)(F)F 1875270432 QAWJDGKOJZCWJX-QMMMGPOBSA-N 316.283 2.771 0 50 DFAA COc1nc2ccccc2cc1C(=O)N(C)CC(=O)C(C)(C)C 1875317028 MZSUINFIQKKYPX-UHFFFAOYSA-N 314.385 2.931 0 50 DFAA O=C(Cc1cccc2cnccc12)N[C@H]1CCOC12CCCC2 890406049 UOSDAWBLIDENMK-KRWDZBQOSA-N 310.397 2.995 0 50 DFAA C[C@@](C[C@H]1CCOC1)(C(=O)O)n1cc(-c2ccccc2F)cn1 1776004047 MCBDWUKGEGNSDI-SJKOYZFVSA-N 318.348 2.916 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@]3(F)CCO[C@@H]3C)cc2)c1C 2325767746 PKDOLMROAIZXII-CXAGYDPISA-N 317.364 2.945 0 50 DFAA CC(C)(CNC[C@]1(c2ccccc2)COCCO1)[C@H]1CCCO1 2325779704 YLWFNRHXJYSFGU-IEBWSBKVSA-N 319.445 2.724 0 50 DFAA Cn1cnnc1CN1CC=C(c2cccc(Cl)c2F)CC1 2325788930 UCIJVUKRBFNNPO-UHFFFAOYSA-N 306.772 2.897 0 50 DFAA NCc1ccoc1C(=O)N[C@H]1CCO[C@H](c2cccc(F)c2)C1 2325799369 QSFNEKCAKCELCK-GJZGRUSLSA-N 318.348 2.528 0 50 DFAA Cc1nc(C)c(CN=c2[nH]c3cccc(Br)c3o2)[nH]1 2325858172 BRGWYXXCGSXXJR-UHFFFAOYSA-N 321.178 2.964 0 50 DFAA CCc1cc(=O)oc2c(C)c(OCC(=O)N(CC)CC)ccc12 317526 JDLWIJVQSPUSLN-UHFFFAOYSA-N 317.385 2.911 0 50 DFAA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 357749 MTZKRROOLBJSNC-UHFFFAOYSA-N 314.366 2.600 0 50 DFAA CNC(=O)N(O)[C@H]1N(c2ccccc2)C(=S)SC1(C)C 361166 GXEFGFSHZSHJEM-SNVBAGLBSA-N 311.432 2.660 0 50 DFAA CC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1 463868 XJZQDZYAGFRMCU-UHFFFAOYSA-N 308.432 2.862 0 50 DFAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 608850 ILPXQJQZMLEDCR-SECBINFHSA-N 323.805 2.851 0 50 DFAA OCCN[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21 1837446 KMLNANRKCDKNGU-CYBMUJFWSA-N 309.207 2.890 0 50 DFAA biogenic Cc1cccc(NC(=O)C(=O)NCCc2ccc(F)cc2)c1C 2944424 ZFKLEXCPWZGFGQ-UHFFFAOYSA-N 314.360 2.740 0 50 DFAA Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O 4317730 FTCCUWKLVDLBOM-MRXNPFEDSA-N 323.396 2.805 0 50 DFAA Cc1cccc(C)c1OCC(=O)NCc1ccc(C(=O)O)cc1 4649257 CXPXGXKVZJDJTL-UHFFFAOYSA-N 313.353 2.697 0 50 DFAA Cc1cccc(OCC(=O)NCc2nc(-c3ccccc3)no2)c1 4852388 VQYBOUOIZRACJC-UHFFFAOYSA-N 323.352 2.740 0 50 DFAA CCCCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 6310608 CPYZYQKPBHCPFN-UHFFFAOYSA-N 312.435 2.750 0 50 DFAA biogenic COCC1(CNC(=O)Nc2ccc(C(C)C)cc2)CCNCC1 414669502 BMQVDZOIRNAIKR-UHFFFAOYSA-N 319.449 2.948 0 50 DFAA CCC(CC)N(CCc1ccccc1)C(=O)C1(C(N)=O)CC1 55245440 DPFCLHDUPXGNEW-UHFFFAOYSA-N 302.418 2.512 0 50 DFAA CCC(=O)c1ccc(OCC(=O)N(C)Cc2cc(C)no2)cc1 55344404 WOLAGODGKNRFGS-UHFFFAOYSA-N 316.357 2.613 0 50 DFAA Cc1ccc(CNC[C@]2(O)CCCN(CC(C)(C)C)C2=O)s1 55036244 DWUVFGICFAZVGH-QGZVFWFLSA-N 324.490 2.546 0 50 DFAA Cc1csc(CCCNC(=O)CSc2ccncc2)n1 102304461 KMMQJBGEVWOGKK-UHFFFAOYSA-N 307.444 2.688 0 50 DFAA CCCn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21 100602425 AHILVHGMVZRAKK-UHFFFAOYSA-N 323.352 2.764 0 50 DFAA OCC[C@@H]1CN(CCCc2ccccc2)CCN1C1CCCC1 20538377 SQOMZEIDNIUCNU-HXUWFJFHSA-N 316.489 2.930 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)CC(F)(F)F)c1 134545957 YTMYJXZZNRRHTA-UHFFFAOYSA-N 316.308 2.755 0 50 DFAA Oc1nc(Cl)nc2ccc(I)cc12 26899509 RNNFGDPEHFUGQL-UHFFFAOYSA-N 306.490 2.593 0 50 DFAA CC(=O)Nc1cccc(-c2ccc(C(=O)N3CCCC3)cn2)c1 67654981 JIPPAGBEBNRVNW-UHFFFAOYSA-N 309.369 2.943 0 50 DFAA CCN1CCC(N2CCc3[nH]nc(-c4ccccc4)c3C2)CC1 12431356 RMBODESRBAZGHC-UHFFFAOYSA-N 310.445 2.919 0 50 DFAA O=C(O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1 189188 GKTOHRNNIWLOOS-ZHACJKMWSA-N 303.339 2.797 0 50 DFAA CCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 450947 GRBMEHMFYLFEGE-UHFFFAOYSA-N 310.400 2.910 0 50 DFAA biogenic C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)C3=CC(=O)CC[C@]3(C)[C@@H]1[C@H](O)C2 33828196 HLMXXXIMYKQBGB-SGMDXHTJSA-N 304.430 2.850 0 50 DFAA CCN(CC)C(=O)[C@@]1(C)CC1(Br)Br 2770710 XUTVOJBGRBSIHL-MRVPVSSYSA-N 313.033 2.751 0 50 DFAA Cc1cccc(C[C@@H](CO)NC(=O)[C@H]2CCCC(F)(F)C2)c1 282042367 LCGCAMNXTVPTNG-GJZGRUSLSA-N 311.372 2.840 0 50 DFAA O=C(Nc1ccccc1F)c1cnn(CCN2CCCCC2)c1 364771923 WRJIVAQELAIGBP-UHFFFAOYSA-N 316.380 2.760 0 50 DFAA COc1ccc(CCCC(=O)N2CCC[C@H](C)[C@@H]2CN)cc1 237199485 VKVBYAGWOYTHGN-YOEHRIQHSA-N 304.434 2.604 0 50 DFAA CCCCn1ncc(NC(=O)NC[C@H]2CCO[C@H](C)C2)c1C 334004564 JCFABBDKFXJJTP-OCCSQVGLSA-N 308.426 2.928 0 50 DFAA O=C(c1ccsc1)N1CCCN(c2ccc(F)cn2)CC1 339968054 OTYYBQKGQUIHJR-UHFFFAOYSA-N 305.378 2.635 0 50 DFAA CCc1cc(NCc2cccc(C(=O)N(C)C)c2)n2nccc2n1 72463380 XRUVYJFWOODYQX-UHFFFAOYSA-N 323.400 2.606 0 50 DFAA Cn1nc(C2CCCCC2)cc1NC(=O)C[C@@H]1CSCCN1 237826125 HVDVTAXSGVTVAU-CYBMUJFWSA-N 322.478 2.501 0 50 DFAA O=C(CC1(C(=O)O)CCC1)NCCc1c[nH]c2cc(F)ccc12 262483446 IGDRCLUFEPTEMG-UHFFFAOYSA-N 318.348 2.611 0 50 DFAA O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C/C=C/c1ccc(F)cc1 262829757 CEKFXWIMLKPEFK-BTGSWKNCSA-N 317.360 2.941 0 50 DFAA Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)o1 159234753 FDRNYSBJASJHMP-CHWSQXEVSA-N 318.377 2.704 0 50 DFAA Cc1cc(N2CCC(N[C@H](C)c3ccccn3)CC2)nc(C)n1 159317528 NNEFYOJEIHVNIP-CQSZACIVSA-N 311.433 2.808 0 50 DFAA OCCc1ccccc1-n1ccnc1-c1nc2ccccc2[nH]1 72132134 OOJAOSVPUPGIMC-UHFFFAOYSA-N 304.353 2.950 0 50 DFAA O=C(c1nc(C2CC2)n2ccccc12)N1CC[C@H](OC(F)F)C1 606444067 WLDNNCYKGSLVEG-NSHDSACASA-N 321.327 2.665 0 50 DFAA CCc1ccnc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 263438584 PEXAXALLUBWXKR-SNPRPXQTSA-N 302.374 2.502 0 50 DFAA COC[C@@H](Nc1cc(N2CCCC2)ncn1)c1ccc(C)o1 288571841 WWIMJARCBKWMPH-CYBMUJFWSA-N 302.378 2.778 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)N(Cc1cnn(C)c1)C1CC1 426530412 KVYFUXZVGOREIQ-GFCCVEGCSA-N 318.446 2.787 0 50 DFAA CC(C)CN1CC(=O)Nc2ccc(OC(F)(F)F)cc2C1=O 426503768 YYDYQUWESXRJNS-UHFFFAOYSA-N 316.279 2.636 0 50 DFAA Cn1c(CN)nnc1SCc1cc(C2CCCCC2)no1 426535428 IMLGNEZUJFEEMR-UHFFFAOYSA-N 307.423 2.602 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1cccc(F)c1 91321610 NOFXVJFMJCUAGJ-JKSUJKDBSA-N 300.333 2.521 0 50 DFAA Cc1c(Cl)c(C(=O)N2CCCc3cccc(O)c32)nn1C 332078119 ZHQZRRFHWDYXEP-UHFFFAOYSA-N 305.765 2.681 0 50 DFAA CCN1C[C@@H](c2ccccc2)CC2(CCN(CCCO)CC2)C1 91305753 OZJWTPLRZXWCQF-IBGZPJMESA-N 316.489 2.960 0 50 DFAA Cc1ccc2nc(COCC(=O)NCc3ccsc3)[nH]c2c1 97694836 YZGKBASCCZHWRG-UHFFFAOYSA-N 315.398 2.766 0 50 DFAA CCC[C@H]1CN(Cc2ccc(OC)c(C(=O)O)c2)C[C@@H]1N(C)C 92003593 GDEFUAXILSVVNY-HOCLYGCPSA-N 320.433 2.556 0 50 DFAA CN1CCC(N2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 244874283 WYGYCTLJQPBISB-OALUTQOASA-N 305.510 2.810 0 50 DFAA O[C@H]1C[C@@H](c2cc(NCCCN3CCc4ccccc43)ncn2)C1 244678653 IHQAHQJZJBQABU-IYBDPMFKSA-N 324.428 2.580 0 50 DFAA CCn1c(-c2cc(C)cs2)nnc1N1CCCO[C@@H](C)C1 624905120 ZHRSBWYUDACZHL-LBPRGKRZSA-N 306.435 2.950 0 50 DFAA COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCC[C@H](N)C3)C2)cc1 299749005 IWHHZENSOJLKQH-LLLHUVSDSA-N 316.445 2.917 0 50 DFAA Cc1nnc(CN2CCCN(c3ccccc3C)CC2)s1 299760227 IGDFHRVPMMICCK-UHFFFAOYSA-N 302.447 2.867 0 50 DFAA CN(CC[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 670466607 OWWZPWZIHWZCBO-LBPRGKRZSA-N 324.471 2.553 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCc2ccc(CN(C)C)cc2)n1 670449766 AOUVMNHIVSPQIE-OAHLLOKOSA-N 300.450 2.740 0 50 DFAA O[C@H](C[C@H]1COCCN1c1ncccc1F)c1ccccc1 268705633 SFUJQHCSOZLNNA-GOEBONIOSA-N 302.349 2.550 0 50 DFAA CC1(C)C[C@@H](NC(=O)[C@H]2CCN(c3ccccc3)C2)CCO1 408519471 AMIOEUZLYNFIHF-GJZGRUSLSA-N 302.418 2.587 0 50 DFAA C[C@@H]1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 271837267 FXSFTMASZCZFAO-NVXWUHKLSA-N 316.445 2.582 0 50 DFAA CCN(C)[C@@H]1CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1 170088746 LZVMWTKFVHXZEL-CQSZACIVSA-N 323.444 2.558 0 50 DFAA CC[C@@H]1CCc2sc(C(=O)NOC[C@@H]3CCOC3)cc2C1 170606379 JKNKLZAYWAZAEX-VXGBXAGGSA-N 309.431 2.961 0 50 DFAA Cc1cnc2c(c1)N(C(=O)Cc1cnc3ccccc3c1)CCO2 191387330 PBEGGXXWQUSLJI-UHFFFAOYSA-N 319.364 2.906 0 50 DFAA C[C@@H]1CC2(CCC2)CN1C(=O)NCc1c(C2CC2)cnn1C 661805395 HXEDJVSRKWKNMA-GFCCVEGCSA-N 302.422 2.772 0 50 DFAA Cc1ncc(CN(CCCO)[C@@H]2CCCc3ccccc32)n1C 667676571 SYPJKNZUOIJIFM-LJQANCHMSA-N 313.445 2.991 0 50 DFAA COC1(c2noc([C@@](C)(OC)c3ccccc3)n2)CCOCC1 585133897 ZELZMYUEPUIFJX-INIZCTEOSA-N 318.373 2.632 0 50 DFAA CCCCN(C(=O)CCc1cnn(C)c1)[C@H]1CCCC[C@@H]1OC 1614578470 SDEWPARCJVXIKY-IRXDYDNUSA-N 321.465 2.939 0 50 DFAA O=C([C@@H]1CSCCS1)N1CCC[C@H]1CCc1ccccn1 1615586231 KZGUOWQXXQPHRL-GJZGRUSLSA-N 322.499 2.854 0 50 DFAA CSc1cccc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)c1 1615712027 WAURFMFNSGLUSG-YJBOKZPZSA-N 314.454 2.839 0 50 DFAA c1ccc([C@H]2CN(Cc3cc(-c4cccnc4)no3)CCN2)cc1 1506400170 UUNCATKJMWOXTD-LJQANCHMSA-N 320.396 2.883 0 50 DFAA OC1(Cc2ccccc2)CCN(C2CSCCSC2)CC1 1506404219 VYDBZCJHDYJNKS-UHFFFAOYSA-N 323.527 2.905 0 50 DFAA CN1CCC[C@@H]1CCNc1noc(-c2ccccc2)c1C(=O)O 1704324653 CNEYGUPUVLTPCB-CYBMUJFWSA-N 315.373 2.936 0 50 DFAA Cc1nc[nH]c1CN(CCO)Cc1ccc(CC(C)C)s1 1704313007 KKMHSBWZNKMCSV-UHFFFAOYSA-N 307.463 2.973 0 50 DFAA OC[C@]12CCOC[C@H]1CN(Cc1csc3ccccc13)C2 1772709543 KLQKZLNFFYIYTN-RHSMWYFYSA-N 303.427 2.732 0 50 DFAA Cc1nc(O)cc(C2CCN(Cc3ccn4nccc4c3)CC2)n1 1775978334 RNGWRZNZQXSOSB-UHFFFAOYSA-N 323.400 2.518 0 50 DFAA O=C1CCN(Cc2ccoc2)CCN1Cc1cccc(F)c1 14971271 XOINCXQEGGBXKO-UHFFFAOYSA-N 302.349 2.653 0 50 DFAA COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1 16580080 NRBQGDSSZHHXJL-LBPRGKRZSA-N 313.353 2.957 0 50 DFAA CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 19771686 VFCCNJCFFPULCZ-TWMKSMIVSA-N 322.788 2.558 0 50 DFAA O=C1C[C@H](c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)CN1 1875246930 HRYYFWCVXZASOO-INIZCTEOSA-N 322.412 2.737 0 50 DFAA CN1Cc2cc(-c3ccc([C@H]4CNC(=O)C4)cc3)ccc2C1=O 1875243158 SUSGFZLAHHLWGK-OAHLLOKOSA-N 306.365 2.543 0 50 DFAA COc1ccc(CCN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cc1 237250132 HPFTZYQCOBGKTF-XIRDDKMYSA-N 303.402 2.955 0 50 DFAA O=C(O)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 238026961 FUQOBPDADHCHDL-UONOGXRCSA-N 307.777 2.767 0 50 DFAA Cc1ccc(OCCC(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1C 156546776 NCYFFLAWUPAQFH-HZPDHXFCSA-N 304.434 2.658 0 50 DFAA COCc1ccccc1C(=O)NC[C@@H]1Cc2ccccc2N(C)C1 370712535 WFXQEJYXCKPKMB-HNNXBMFYSA-N 324.424 2.872 0 50 DFAA Fc1ccccc1-c1noc(CN2CC[C@@]3(CCCOC3)C2)n1 375290458 BGNZBZUERFFDQX-KRWDZBQOSA-N 317.364 2.878 0 50 DFAA CC1(C)CCC(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 910616317 TXUHQOUATLHYJZ-TXKKKEFDSA-N 323.433 2.731 0 50 DFAA Cn1ccc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)n1 932149593 QCNMXJGKJUEFII-UHFFFAOYSA-N 323.400 2.850 0 50 DFAA CC(C)c1cccc(CNC(=O)[C@@]2(F)CNC[C@H]2C2CC2)c1 1875353943 LMAWJUAAPOKYGA-FUHWJXTLSA-N 304.409 2.764 0 50 DFAA COc1ccc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cn1 886080475 TXWJAGBGFVEFKT-FZMZJTMJSA-N 302.378 2.550 0 50 DFAA Cc1c(CNC(=O)NC2CC(CCO)C2)oc2ccccc12 893028512 JVUKRCMVLNFGHS-UHFFFAOYSA-N 302.374 2.701 0 50 DFAA Cn1cc(Cc2nc([C@H]3CCOC4(CCCC4)C3)no2)cn1 897189198 INVAKSYOLPBWRC-ZDUSSCGKSA-N 302.378 2.601 0 50 DFAA c1ccc(CN2C[C@H]3CN(CCN4CCCCC4)C[C@H]3C2)cc1 280426665 MFQXOKRJNKNXGL-BGYRXZFFSA-N 313.489 2.536 0 50 DFAA CC(C)(C)OC(=O)N1CCCn2cc(Br)nc2C1 687765344 SKLYANWIAXJMDS-UHFFFAOYSA-N 316.199 2.786 0 50 DFAA CN(CCn1ccnc1)Cc1c(O)nc2ccccc2c1Cl 2325789044 AGRQYXGGGMBTGB-UHFFFAOYSA-N 316.792 2.922 0 50 DFAA Cc1ccc2sc(S(=O)(=O)Cc3conc3C)nc2c1 2325870760 NOROCSXEHVGIMW-UHFFFAOYSA-N 308.384 2.875 0 50 DFAA CCOc1cccc(C=O)c1OS(=O)(=O)c1ccccc1 2024213 UPPHWZNOUOVLJE-UHFFFAOYSA-N 306.339 2.666 0 50 DFAA CCCCC/C=C/[C@H](O)[C@H](O)/C=C/c1cccc(O)c1CO 2332926183 SILLWCQCJWWTBA-JACFONCCSA-N 306.402 2.756 0 50 DFAA CCOC(=O)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 108509 RKYPUUFCSOKPOK-GFCCVEGCSA-N 320.242 2.643 0 50 DFAA CCO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 858568 IZILJJGONAYQBT-KBPBESRZSA-N 317.838 2.966 0 50 DFAA CCCCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 2839070 YRINCQQVWGPJRQ-IBGZPJMESA-N 324.380 2.689 0 50 DFAA COCC1CCN(c2noc(-c3ccccc3)c2C(=O)O)CC1 2356159437 AITQBPQCZRUYMI-UHFFFAOYSA-N 316.357 2.903 0 50 DFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nccs2)CC1=O 4385120 ZZOVQFLAYXWPGP-AAEUAGOBSA-N 315.398 2.691 0 50 DFAA Cc1cc(I)ccc1OCCCN(C)C 6701018 GXJBXPNPVRRKSL-UHFFFAOYSA-N 319.186 2.930 0 50 DFAA CC(C)Cc1nnc(SCC(=O)Nc2ccccc2F)n1C 6701128 PBLRNOGYCLGXHT-UHFFFAOYSA-N 322.409 2.884 0 50 DFAA C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CCCO1 6728764 MJIDAZCDCDHYCT-WBMJQRKESA-N 305.399 2.686 0 50 DFAA CC(C)c1nnc2c(NC[C@H](C)CC(F)(F)F)nccn12 413534175 OTPKHLCCEJXBLW-SECBINFHSA-N 301.316 3.248 0 50 DFAA C[C@@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2NC1=O 8942169 UGBOTALORWMAJI-VIFPVBQESA-N 300.289 2.797 0 50 DFAA O=C(O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccsc1 348999357 CEZIOTIMVHOPAA-UHFFFAOYSA-N 323.395 2.588 0 50 DFAA O=C(CCc1ccccc1)N1CCC(c2nncn2C2CC2)CC1 109886606 SZOZUUHHDCCJLD-UHFFFAOYSA-N 324.428 2.952 0 50 DFAA Cc1ccccc1-n1nc(CC(C)C)nc1CCn1cncn1 65395712 ZSQUECCGBGSAHD-UHFFFAOYSA-N 310.405 2.608 0 50 DFAA COc1cccc2c(C)c(C(=O)N3CCCC[C@@H]3C(=O)O)oc12 136492473 YXTPGKHBRPWHIZ-GFCCVEGCSA-N 317.341 2.829 0 50 DFAA CCN(CC)Cc1nnc2sc(/C=C/c3ccco3)nn12 61722136 ALFSNWMPNIWHIE-BQYQJAHWSA-N 303.391 2.791 0 50 DFAA c1oc(C2CCC2)nc1-c1nc([C@H]2CN3CCC[C@H]3CO2)no1 350131425 FPWIYTALAFFVNV-WCQYABFASA-N 316.361 2.528 0 50 DFAA CC(C)CN1CCN(C/C=C/c2ccccc2)C[C@@H]1CCO 20542283 AVUIDFVFVJGVBX-AIADIJKESA-N 302.462 2.724 0 50 DFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C 229535214 NGWBLGHPIORLBF-OKZBNKHCSA-N 322.408 2.750 0 50 DFAA CCOc1ccccc1N1CCN(CC[C@H]2CCCN2C)CC1 124641923 JIAKURFUAWVTFQ-QGZVFWFLSA-N 317.477 2.692 0 50 DFAA O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 2505969 INJXUUWVZPYPQM-NLKGSNSHSA-N 324.384 2.720 0 50 DFAA COc1cccc(CCC(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 79693276 NVQMDIKETCKXAY-AWEZNQCLSA-N 315.417 2.646 0 50 DFAA CCc1nc(NCc2ccc3c(c2)C[C@@H](C)O3)c2cnn(C)c2n1 72147077 FKAXESYTPMNXMD-LLVKDONJSA-N 323.400 2.861 0 50 DFAA CCC1(NC(=O)[C@H](C)n2cnc3ccccc32)CCOCC1 332068327 UXDVKWOETILBSS-ZDUSSCGKSA-N 301.390 2.673 0 50 DFAA O=S(=O)(C1CC1)N1CCCC[C@H]1c1ccc(F)cc1F 253432652 MFEWCBAOBYPLLJ-AWEZNQCLSA-N 301.358 2.984 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 257365761 KTGQGJPYDAZYKC-ZWKOTPCHSA-N 324.428 2.571 0 50 DFAA CC(C)Cc1ncc(CNC(=O)c2cc(O)cc(O)c2)s1 152853426 FXIWEVYXBUADQA-UHFFFAOYSA-N 306.387 2.683 0 50 DFAA O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC2(CCOCC2)C1 333549121 UHLYFLSZDDIWOM-UHFFFAOYSA-N 312.373 2.721 0 50 DFAA CC(C)c1noc([C@@H](C)N2CCC[C@H](N3CCCC3=O)CC2)n1 333979827 BFGCIGQYAOZWAE-KGLIPLIRSA-N 320.437 2.731 0 50 DFAA CC(C)c1nccc(CN2CCC(N3CCSCC3)CC2)n1 216392275 MZEQJXSZMSLESE-UHFFFAOYSA-N 320.506 2.613 0 50 DFAA C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cnn2c1CCCC2 133000271 UNKBMOXUPWKHFE-FZMZJTMJSA-N 319.430 2.523 0 50 DFAA COc1ccc(CN(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)c(F)c1 215825589 VECRVQFWVILDJT-ZDUSSCGKSA-N 322.424 2.913 0 50 DFAA O=C(C[C@H]1CCCN1C(=O)C[C@@H]1CCOC1)c1ccccc1 378065086 ZHSNQRCCORXTLP-GOEBONIOSA-N 301.386 2.677 0 50 DFAA COc1cccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c1 71282158 KTLYDUOFQYUYQB-GFCCVEGCSA-N 301.346 2.890 0 50 DFAA COC[C@@H]1CCCN(C(=O)CCc2ccc(N(C)C)cc2)C1 219321247 LAVXXNGHQHJFKP-MRXNPFEDSA-N 304.434 2.570 0 50 DFAA CCCc1nnc2sc([C@@H]3CCCCN3C(=O)C3CC3)nn12 71750023 ATRIACAZMSLZMY-NSHDSACASA-N 319.434 2.602 0 50 DFAA CCn1cc(C(=O)N2CCC[C@@]2(C)C(=O)O)c2ccccc21 263382183 BNTFOIDNMIOVTA-KRWDZBQOSA-N 300.358 2.741 0 50 DFAA Cc1cccc(C[C@@H](C)NC(=O)Cc2c(C)nc3ccccn23)n1 426445554 LOTODGXCVIGXRC-CQSZACIVSA-N 322.412 2.636 0 50 DFAA Cc1c([C@H]2CCCN2[C@@H]2CCc3ccccc3NC2=O)cnn1C 225400441 VRNKJWKYKBEKAH-QZTJIDSGSA-N 324.428 2.819 0 50 DFAA COc1ccc2c(c1F)CC[C@@H]2NCCc1nnc(C)s1 289875181 RQQSUDXVDVCSRX-LBPRGKRZSA-N 307.394 2.814 0 50 DFAA Cc1occc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 82097374 NDCOYCLXLUHAQU-OAHLLOKOSA-N 300.358 2.804 0 50 DFAA CNC[C@H]1CCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 178983390 VPAGIRFGZMEEIC-SNVBAGLBSA-N 301.217 2.604 0 50 DFAA Cc1ccccc1CC1(NC(=O)CCn2c(C)cccc2=O)CC1 426567127 RINYZVXIACCCHX-UHFFFAOYSA-N 324.424 2.747 0 50 DFAA CC[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)O 26511198 QIEVXAKSTZQGKO-CQSZACIVSA-N 302.326 2.914 0 50 DFAA c1ccc2c(c1)CC[C@@H](N1CCN(Cc3nccs3)CC1)C2 244758101 OSJJWDLIBUTDHM-QGZVFWFLSA-N 313.470 2.818 0 50 DFAA Cc1cc(C)cc(N2CCN(C[C@H]3CCCCN3C)CC2)c1 244584414 CYYBDLBGRZSKSF-GOSISDBHSA-N 301.478 2.910 0 50 DFAA Cc1cccc(OCCN2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)c1 625907486 YEAQJFWBWPPCAW-CZUORRHYSA-N 317.389 2.527 0 50 DFAA O=C(O)c1csc(CNC(=O)c2sccc2C2CC2)n1 299748274 GQWFNYZKZBRVRH-UHFFFAOYSA-N 308.384 2.710 0 50 DFAA Cc1cc2c(cc1C)O[C@@H](C(=O)NCC1(c3ccccn3)CC1)C2 184338059 ZSOFVHBWXKOJEK-QGZVFWFLSA-N 322.408 2.850 0 50 DFAA CCc1ncnc(N2CCc3ccc(C(C)=O)cc3CC2)c1F 253416902 NGYASRKCMCNFNO-UHFFFAOYSA-N 313.376 2.986 0 50 DFAA CCCNC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC 381917386 LZYZIYPOFBSJPM-DZGCQCFKSA-N 306.406 2.854 0 50 DFAA CN(Cc1noc(C2CCC2)n1)C(=O)c1cc(Cl)cn1C 584896915 FYSOVASKOCJREP-UHFFFAOYSA-N 308.769 2.601 0 50 DFAA CC1(C)CC(NCc2ccc3nc(O)[nH]c3c2)CC(C)(C)N1 584896685 BUGBTIQXBKJVFW-UHFFFAOYSA-N 302.422 2.667 0 50 DFAA C=CC(=O)N1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1356521553 VXAZQUGPZZCUQF-AWEZNQCLSA-N 308.422 2.668 0 50 DFAA Cc1cc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc(C)n1 952987135 JTJNETQYNNVAOR-UHFFFAOYSA-N 323.396 2.772 0 50 DFAA O=C(NCC1(O)CCCCCC1)c1cc2ccccc2c(O)n1 304227350 GYPYFLDTUGXWQE-UHFFFAOYSA-N 314.385 2.756 0 50 DFAA CCN(c1ccc(O)cc1)S(=O)(=O)c1ccccc1OC 170610520 WQGUBHXXRQHUDX-UHFFFAOYSA-N 307.371 2.616 0 50 DFAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(-c2ncco2)cc1F 411696897 JJMUMNMWPIALMO-LSDHHAIUSA-N 320.364 2.716 0 50 DFAA O=C(CC1CCOCC1)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327674 QTOHAAZFAFMVCE-LSDHHAIUSA-N 303.358 2.630 0 50 DFAA C[C@H]1C[C@H](O)CCN1S(=O)(=O)c1ccccc1C(C)(C)C 170091060 RUZWMTYDOQRSKV-QWHCGFSZSA-N 311.447 2.518 0 50 DFAA CCC[C@H](OC)c1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 635527993 OBQKAVIRKHYOKA-OLZOCXBDSA-N 307.394 2.673 0 50 DFAA Cc1cc(C)n(C[C@@H](O)COc2ccccc2C(F)(F)F)n1 191383133 IYXLKSWNSVPDBK-GFCCVEGCSA-N 314.307 2.959 0 50 DFAA COc1ccc(Br)cc1[S@@](=O)C[C@@H]1CCCO1 194569999 DVCQIWZXQOJCIR-BTDLBPIBSA-N 319.220 2.744 0 50 DFAA O=C(c1cccc(Oc2ccccc2)c1)N1C[C@H](O)[C@@H](F)C1 1616101667 VLMSESSRGVJUCT-HOTGVXAUSA-N 301.317 2.634 0 50 DFAA CC1(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1529174682 WTBOKGQZGWSXRK-PBHICJAKSA-N 310.397 2.709 0 50 DFAA COc1nccnc1N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1529177749 GCKDMQNNUIKSSU-UWFQEWOQSA-N 303.406 2.617 0 50 DFAA COCc1cc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)ccc1OC 1529187737 ZWDJWEHOQKMSHV-LVYXFOGZSA-N 319.445 2.823 0 50 DFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 5000392 UZJHTVCOPDMNBX-ZJUUUORDSA-N 308.403 2.851 0 50 DFAA Cc1c(O)cc2oc3c(c(=O)c2c1O)-c1ccccc1O[C@H]3O 13378573 YVVDYYFGAWQOGB-QGZVFWFLSA-N 312.277 2.563 0 50 DFAA biogenic CC1=NCCN1S(=O)(=O)c1cc(C)c(Cl)cc1Cl 16183970 LKXAUCRNHSXKAI-UHFFFAOYSA-N 307.202 2.725 0 50 DFAA Cc1nc(-c2cccs2)ccc1C(=O)N(C)C[C@H](O)C1CC1 304939567 MMTBNAQUWXVNNP-HNNXBMFYSA-N 316.426 2.961 0 50 DFAA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCCSCC1 221815760 ORLHZBNLVHKWAD-KFWWJZLASA-N 313.511 2.501 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3C[C@@H](F)C[C@H]3CO)c2)cc1 331550147 IEYODRHDZOJURK-IRXDYDNUSA-N 314.360 2.602 0 50 DFAA CCCc1cc(C(=O)N[C@H](COC)c2ccc(CC)o2)[nH]n1 132403756 SSLFMHBUUJZKSE-CQSZACIVSA-N 305.378 2.635 0 50 DFAA O=C(NCc1ccccc1F)N[C@H]1CCCC12CCOCC2 253395973 WJLXJTCCWFWWRV-HNNXBMFYSA-N 306.381 2.974 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 253396984 RTINLBMKCOCFDC-ARFHVFGLSA-N 323.820 2.650 0 50 DFAA CSC[C@H](C)C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 585130135 JDDGIHHYMHPEIB-LBPRGKRZSA-N 324.494 2.708 0 50 DFAA CN(C)c1cccc(C(=O)N2C[C@@H](CC(=O)O)c3ccccc32)c1 391833737 YVOQXKLLMARMAO-CQSZACIVSA-N 324.380 2.971 0 50 DFAA C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 902420189 YYYVFSMKPXGJRA-OIMURUBLSA-N 307.434 2.813 0 50 DFAA CC(C)c1nsc(CN2CCC(Nc3cccnn3)CC2)n1 929534007 ABSBNPVEJLJABM-UHFFFAOYSA-N 318.450 2.528 0 50 DFAA Cc1cc(O)nc([C@H](C)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)n1 931491160 LQFQRJHUXPFXFW-XIRDDKMYSA-N 324.428 2.510 0 50 DFAA CN(CCC1CCN(Cc2cnon2)CC1)C(=O)OC(C)(C)C 851887686 TYEZITJMLUGRMB-UHFFFAOYSA-N 324.425 2.539 0 50 DFAA Cn1ncc(C(=O)OC(C)(C)C)c1CNCC=C(Cl)Cl 1875272815 DCEHFHNZZIVRBK-UHFFFAOYSA-N 320.220 2.784 0 50 DFAA O=C(O)[C@H]1Cc2c(F)cccc2CN1C(=O)[C@H]1CCC12CCC2 1875320112 GZPYRYRJIHCOAU-UKRRQHHQSA-N 317.360 2.744 0 50 DFAA C=CC(=O)N(Cc1cc(C)ccc1C)[C@H](C)CS(=O)(=O)CC 1875381902 KSNBUNCTZNGJFW-OAHLLOKOSA-N 323.458 2.641 0 50 DFAA CC1(c2cccc(NC(=O)c3cc(S(C)(=O)=O)co3)c2)CC1 1875396559 MPUWEJMEVTZFEQ-UHFFFAOYSA-N 319.382 2.987 0 50 DFAA COCc1nc(O)cc(N2CCC[C@@H]2c2ccc(F)cc2)n1 891678059 KAIMOWIYMSILKG-CYBMUJFWSA-N 303.337 2.809 0 50 DFAA CC[C@H](C)OC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 1775999583 VOPBOHQHMATJCQ-QWHCGFSZSA-N 302.378 2.844 0 50 DFAA CC1(C)CCCN1CCNC(=O)[C@@H]1CCC[C@@H]2[C@@H]1C2(F)F 2325780066 FDXJEEJOVGTMAV-JHJVBQTASA-N 300.393 2.658 0 50 DFAA CNc1ncccc1C(=O)OCc1csc(C(F)(F)F)n1 2325789063 FXCAXOISLGTFLB-UHFFFAOYSA-N 317.292 2.956 0 50 DFAA Cn1[nH]c(=NC(=O)Nc2cccc(F)c2F)cc1C(F)F 2325818278 GBVGBVAGQDSDCI-UHFFFAOYSA-N 302.231 2.702 0 50 DFAA C[C@H](CNC(=O)c1cnc(N)c(Cl)c1)Oc1ccccc1 113906803 DIJAOURAMQHRDW-SNVBAGLBSA-N 305.765 2.515 0 50 DFAA O=C(Nc1ncc(Cc2cccc(F)c2)s1)[C@@H]1CCCCN1 237766451 FWDNXAQWGUGVPW-AWEZNQCLSA-N 319.405 2.954 0 50 DFAA COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 102328 YABPSANCMAHTHA-UHFFFAOYSA-N 320.348 2.805 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)NC(=O)N1 116087 IMGTZKPNKOKFKD-OAHLLOKOSA-N 316.357 2.506 0 50 DFAA O=C1O[C@@](Nc2ncccn2)(c2ccccc2)c2ccccc21 350762 CHNWWIGNAUZFCM-SFHVURJKSA-N 303.321 2.960 0 50 DFAA COc1ccc(NC(=O)c2cccc(OC)c2OC)c(OC)c1 496542 POMZCUPTNADUTO-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA COc1ccccc1-c1nnc2sc(-c3ccccn3)nn12 2423259 IFXYAWWFNVTUGE-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA O=c1c(NC2CC2)c(Br)cnn1-c1ccccc1 2501685 YGNPHENTZIDZTR-UHFFFAOYSA-N 306.163 2.569 0 50 DFAA Cc1nc(N(C)Cc2nc(O)c3sccc3n2)nc(C)c1C 2356145615 FNTPXRUNNXUUCD-UHFFFAOYSA-N 315.402 2.749 0 50 DFAA Cc1cnc(CNc2nccc(-c3ccc(N(C)C)cc3)n2)cn1 2356151955 IUNJKDAAWJMIFV-UHFFFAOYSA-N 320.400 2.920 0 50 DFAA CCOC(=O)[C@@H](C)Oc1ccc2c(C)c(CC)c(=O)oc2c1 3901073 FESJFDQXGDOOKS-LLVKDONJSA-N 304.342 2.994 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 4113587 HSIAXJVPSVOXAN-AWEZNQCLSA-N 306.337 2.797 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)NC(=S)N1 4616736 MSHJKJLUOMUMHK-ZDUSSCGKSA-N 308.378 2.570 0 50 DFAA CCOc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C 4970390 WDYDCUMKPWWQGV-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA O=C(COc1cccc(Cl)c1Cl)NC[C@H]1CCCO1 7506134 KFUJYFDUSKXYRB-SECBINFHSA-N 304.173 2.667 0 50 DFAA C[C@@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2O)[C@@H](c2ccccc2)CO1 280937764 LBDSWLROWFDJQO-DDBAPUKQSA-N 317.429 2.916 0 50 DFAA CC(C)(C)c1cc([C@@H]2CC(=O)NCc3nc4ccccn4c32)n[nH]1 67920641 TWOCXPKQAOVVBT-NSHDSACASA-N 323.400 2.507 0 50 DFAA COc1ccccc1[C@@H](NC(=O)c1cnnc(C)c1)c1ccco1 348812505 FZCIATXGJNYMQT-QGZVFWFLSA-N 323.352 2.906 0 50 DFAA COc1ccc(C2=NO[C@@H](CNc3nc(C)ns3)C2)cc1F 253398411 VKBJUNXJHGNBHM-SNVBAGLBSA-N 322.365 2.599 0 50 DFAA Cc1cc(CC(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)n[nH]1 119240171 MCUMFKLGQHEXLP-SUMWQHHRSA-N 315.442 2.966 0 50 DFAA CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1O 8729864 ROHANHYAOAFXAH-UHFFFAOYSA-N 309.343 2.710 0 50 DFAA CC[C@H](C)CNC(=O)c1cc(COc2ccccc2OC)[nH]n1 67983084 OIALACCBSLODLZ-LBPRGKRZSA-N 317.389 2.773 0 50 DFAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)C(C)(C)O 67674079 WPQHMRUSDPGHNH-UHFFFAOYSA-N 314.385 2.878 0 50 DFAA c1ccc2c(c1)CC[C@H](NCCCCCN1CCOCC1)C2 65427874 NZYZQMAXGRYQSE-IBGZPJMESA-N 302.462 2.636 0 50 DFAA CC(C)N1CCC(C(=O)N[C@@H](C)c2cn3ccsc3n2)CC1 65489415 MJZLYZLMHNYNPX-LBPRGKRZSA-N 320.462 2.693 0 50 DFAA CC(C)c1nccc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328622248 IINFCPFSEIYLKW-RDJZCZTQSA-N 311.433 3.100 0 50 DFAA Cc1cc(NC(=O)COC(=O)c2cc3ccccc3o2)no1 2759411 NDSMDCUJKMERMO-UHFFFAOYSA-N 300.270 2.525 0 50 DFAA CCC[C@H](CC)S(=O)(=O)N1CC(COc2ccccc2)C1 431584756 CHIPXGAWZIXYHW-INIZCTEOSA-N 311.447 2.906 0 50 DFAA COc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33088751 SQGMXQLCGHRPTQ-UHFFFAOYSA-N 320.348 2.819 0 50 DFAA Cc1ccccc1[C@H](NC(=O)C1CCS(=O)(=O)CC1)C(C)C 330703775 JJWSRCXGBPZDKW-MRXNPFEDSA-N 323.458 2.633 0 50 DFAA COC[C@H]1[C@@H](NC(=O)Nc2ccc(C)c(Cl)c2)[C@@H]2CCO[C@@H]21 218793731 DCFWOSCWAZATEO-JURCDPSOSA-N 324.808 2.820 0 50 DFAA CC(C)(O)CCc1ccc(C(=O)NCC[C@@H]2CCOC2)cc1 72470815 QOZAWKMMJYCJRS-OAHLLOKOSA-N 305.418 2.547 0 50 DFAA C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCN1 155093554 SPPPILMCLWXGRJ-NSHDSACASA-N 313.376 2.685 0 50 DFAA CN[C@@H](CC(C)(C)C)C(=O)N[C@@H]1CCc2c(OC)cccc21 449155839 MNGADZJBWYCYSF-CABCVRRESA-N 304.434 2.823 0 50 DFAA Nc1ccnc(N[C@@H]2CCCN(CCCc3ccccc3)C2)n1 72453494 DSRBLPWTBMHJGR-MRXNPFEDSA-N 311.433 2.568 0 50 DFAA O=C(NOCC(=O)N1CCCCCCC1)c1ccc(Cl)cc1 158439610 KADGQHICPMPOSQ-UHFFFAOYSA-N 324.808 2.794 0 50 DFAA COCC1(C(=O)N2CCO[C@H](c3ccccc3F)C2)CCC1 283840370 GFWAOFINYKEDQG-HNNXBMFYSA-N 307.365 2.542 0 50 DFAA O[C@H](C[C@H]1COCCN1CCc1ccncc1)c1cccs1 241383210 MTIRBACQKRTCGZ-JKSUJKDBSA-N 318.442 2.510 0 50 DFAA C[C@@H](C(=O)NC(C)(C)c1nccs1)[C@H](N)c1ccccc1 226393467 YYAVSLUAZYXZSP-YPMHNXCESA-N 303.431 2.831 0 50 DFAA O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H]1c1cccnc1 91965702 OJFDNIIPUOPZQR-QGZVFWFLSA-N 319.368 2.640 0 50 DFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1ccc2nccnc2c1 97136823 PECPSFBYSVQHFX-SFHVURJKSA-N 321.380 2.826 0 50 DFAA CCCn1cc(NC(=O)N[C@H](C)CCc2ccccc2)nn1 95531527 VIYUEMYEXFVDCO-CYBMUJFWSA-N 301.394 2.831 0 50 DFAA O=C(O)Cn1ccc([C@H]2CCCN(C3CCCCCC3)C2)n1 426674393 ZLFOGDRNOSNEPM-AWEZNQCLSA-N 305.422 2.870 0 50 DFAA COc1ccccc1OCc1nc(C2CCCC2)nn1CCO 96163656 IKVVKQQXJUZCGC-UHFFFAOYSA-N 317.389 2.516 0 50 DFAA Cc1ccc([C@@H](CCO)NC(=O)CCC2CCN(C)CC2)cc1 97636456 RIETXXGVWIBESK-GOSISDBHSA-N 318.461 2.657 0 50 DFAA CS(=O)(=O)C[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 97631953 LDXOWGOYASGCIU-CYBMUJFWSA-N 307.415 2.689 0 50 DFAA CCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2oc(C)cc2c1 96161102 HJAQAPTYYKJONR-AWEZNQCLSA-N 315.373 2.874 0 50 DFAA Cc1ccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)s1 91678466 BSLKLFRFBWGWLQ-LSDHHAIUSA-N 304.459 2.889 0 50 DFAA Cc1nc(N(C)C)ncc1C(=O)N(Cc1ccsc1)C1CC1 95358171 JWNZYFGZXWZGNV-UHFFFAOYSA-N 316.430 2.717 0 50 DFAA COC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 95496803 OCNCHZLHJKJYOE-UHFFFAOYSA-N 318.417 2.904 0 50 DFAA Cc1cc(F)ccc1NC(=O)CN1CC(N2CCCC[C@H]2C)C1 244633390 GCDZBCCIFPXUPH-CQSZACIVSA-N 319.424 2.631 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)CSc3ccccc3C)C2)n1 244873033 WIZKIQCQTLOCKM-UHFFFAOYSA-N 315.442 2.984 0 50 DFAA Cc1ccn(CCN2CCC([C@H](O)Cc3ccccc3)CC2)n1 244633415 GCPGHEJAKUVOBG-LJQANCHMSA-N 313.445 2.507 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2O)c1C 243914729 BKADRLGZUWMIHE-OWCLPIDISA-N 305.418 2.833 0 50 DFAA CCO[C@@H](C)C(=O)Nc1cc(CCc2ccccc2C)n[nH]1 182896377 PICNDRVMIJHCEM-ZDUSSCGKSA-N 301.390 2.867 0 50 DFAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1c[nH]nc1-c1ccccc1 252479972 BQYBZHQGTWDMGF-PBHICJAKSA-N 324.428 2.567 0 50 DFAA Cn1nccc1-c1ccnc2nc(-c3cc4ccccc4[nH]3)nn12 263587618 IZQOQPUDAULZEU-UHFFFAOYSA-N 315.340 2.673 0 50 DFAA CCOc1ccc(CCCc2ncnn2CC(C)(C)O)cc1C 823380606 DOJNYWIPDGMPMY-UHFFFAOYSA-N 317.433 2.931 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cccn1C1CC1 584890960 YQBMLWUKHYFXNL-UHFFFAOYSA-N 300.406 2.868 0 50 DFAA CNC(=O)c1cccc(CCN[C@@H]2CCCc3ncccc32)c1 631583862 VCGJCLLBNQQUNN-GOSISDBHSA-N 309.413 2.651 0 50 DFAA C[C@@H](Cc1cccs1)C(=O)Nc1nc(CC(=O)O)cs1 170043346 SQXVALBRYGWELC-QMMMGPOBSA-N 310.400 2.649 0 50 DFAA COc1ccc(Cl)c(NC(=O)N[C@H](CO)C(C)(C)C)c1 170072956 OWVUUPPMKJSXQE-GFCCVEGCSA-N 300.786 2.877 0 50 DFAA O=C(c1cc(F)c(F)c(F)c1F)N1CC[C@@H](c2ncc[nH]2)C1 404272462 LMNUVQXONKIKIQ-SSDOTTSWSA-N 313.254 2.596 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 408388796 XFNOVYFRFQTWNF-GDBMZVCRSA-N 305.422 2.629 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)cc1 170881522 QMDKFTJAZDJEMU-HNNXBMFYSA-N 313.401 2.594 0 50 DFAA Cc1cc(NS(=O)(=O)c2cc(C)sc2C)c(Cl)nn1 585129503 LVSJQMROKKXXRL-UHFFFAOYSA-N 317.823 2.918 0 50 DFAA O=C(O)C[C@@H](NC(=O)c1ccc(Cl)s1)C(F)(F)F 698798561 MDXFOQJYQUZWOW-RXMQYKEDSA-N 301.673 2.537 0 50 DFAA CCOC(=O)c1cc2ccccc2nc1NC(=O)[C@@H]1CCCO1 1615587193 XUNYUEHXNKHQGX-AWEZNQCLSA-N 314.341 2.529 0 50 DFAA CC1=CC[C@H]2CN(C(=O)CCn3nnc4ccccc43)C[C@H]2C1 214971520 TVPQZKSRAKXKAJ-LSDHHAIUSA-N 310.401 2.636 0 50 DFAA O=C(NCC[C@@H]1CCCCO1)c1cn(C2CCCCCC2)nn1 12453653 HRZRGMVMTAXRFR-HNNXBMFYSA-N 320.437 2.862 0 50 DFAA CCOC[C@H](O)CNc1nncc(-c2ccc3ccccc3c2)n1 12577184 ARHCHZADFQIFPM-MRXNPFEDSA-N 324.384 2.501 0 50 DFAA CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccco1)C3 12653157 FLQHORASNFJIES-SECBINFHSA-N 314.370 2.742 0 50 DFAA COc1cccc(C(=O)NCCC(=O)Nc2ccccc2F)c1 12865959 JQRUJUPNIRPIIU-UHFFFAOYSA-N 316.332 2.593 0 50 DFAA Cc1cccc(OCCN2C3=NCCN3C(=O)c3ccccc32)c1 16577548 RHNRGNZNQJXWGD-UHFFFAOYSA-N 321.380 2.706 0 50 DFAA Cc1ccc(C(=O)NCCc2c(C)nn(C)c2C)c(C(C)C)n1 448684677 OFSGOJAERYKFQW-UHFFFAOYSA-N 314.433 2.836 0 50 DFAA Cn1cnnc1CN1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1875250442 ZCGXNJDDZBAFQJ-JKSUJKDBSA-N 314.433 2.803 0 50 DFAA Cc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1Cl 614000 IVVZMZKGCHDRNH-UHFFFAOYSA-N 318.760 2.765 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)c2ccsc2)C1 328612308 OIUVYLWQTONHQP-ZWKOPEQDSA-N 321.402 2.532 0 50 DFAA CC(C)C[C@H](N)C(=O)N1CCC(COc2ccccc2)CC1 236652682 ILTWUGGSVSYIEH-KRWDZBQOSA-N 304.434 2.677 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 253397005 RTINLBMKCOCFDC-XHSDSOJGSA-N 323.820 2.650 0 50 DFAA CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(O)cc(O)c1 152910354 WFFVZBRQDZRCHD-UHFFFAOYSA-N 311.259 2.787 0 50 DFAA CC(C)(NC(=O)Cc1ccccc1F)C(=O)Nc1ccccc1 594561505 VMNLUYJDIVZDKX-UHFFFAOYSA-N 314.360 2.902 0 50 DFAA O=C(c1cc(=O)cc[nH]1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 824139997 XHVLGYOYDDLFHT-BZSNNMDCSA-N 324.380 2.510 0 50 DFAA Cn1cnnc1[C@H]1CCCN1Cc1cnc(-c2ccccc2)o1 930156762 DHEFPIWNOBDFPK-OAHLLOKOSA-N 309.373 2.807 0 50 DFAA COC(=O)/C(=C\c1ccnn1CC1CC1)c1ccc2cc[nH]c2n1 864087995 XTQRITDHDUJZJL-GDNBJRDFSA-N 322.368 2.883 0 50 DFAA O=C(NS(=O)(=O)CC1CCCCC1)[C@H]1CCC[C@H]1C(F)F 1875252117 LKYRIKFERWUORL-NEPJUHHUSA-N 323.405 2.694 0 50 DFAA C=CC(=O)N(CCn1cccn1)Cc1cccc(OC(C)C)c1 1875374181 DNKXOWGCXRDRHR-UHFFFAOYSA-N 313.401 2.885 0 50 DFAA Cc1nc(C2CN(c3nc(-c4ccccc4C)ns3)C2)n[nH]1 895330456 PYHBGWLJDKKGIJ-UHFFFAOYSA-N 312.402 2.544 0 50 DFAA Cc1nc(-c2cccnc2)[nH]c1C(=O)N1CCS[C@@H](C)CC1 1775987383 NTYPENZCWLIFMI-NSHDSACASA-N 316.430 2.748 0 50 DFAA COc1ccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc1 4387077 JSGQDAZLTIOHJB-CQSZACIVSA-N 321.332 2.978 0 50 DFAA Cn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21 4623407 AUEOENXYGUXLOS-UHFFFAOYSA-N 304.349 2.950 0 50 DFAA CP(C)(=O)C1CCN(C(=O)c2cnc(N)c(Cl)c2)CC1 2325776616 BPSPOCVRVRKBKA-UHFFFAOYSA-N 315.741 2.545 0 50 DFAA Cc1cc(N2C[C@@H](O)C3(CCOCC3)C2)c2cccc(F)c2n1 2325789793 NHYSCLUXXOOZIN-MRXNPFEDSA-N 316.376 2.660 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2cccc(F)c2Cl)cc1 40571834 ZXLUBRIKFQGXJC-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA CC(C)Oc1ccccc1NC(=O)CSc1nccn1C 99485 HNEVUCJXMUHKEH-UHFFFAOYSA-N 305.403 2.938 0 50 DFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)o1 139724 ITMBMDTZZZBFSV-UHFFFAOYSA-N 324.130 2.701 0 50 DFAA O=C(NC(=S)NC1=NN(c2ccccc2)CC1)c1ccccc1 230649 APNOQRZVZBUBBZ-UHFFFAOYSA-N 324.409 2.515 0 50 DFAA Cc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)c1 311071 QMAAOGJQEQVZBB-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA CCOC(=O)c1ccc(NC(=O)c2c(Cl)cnn2C)cc1 614305 XAEGWAPLEWJDJV-UHFFFAOYSA-N 307.737 2.503 0 50 DFAA COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2388198 HEVNIQOBWMMUIH-UHFFFAOYSA-N 306.339 2.584 0 50 DFAA biogenic O=C(O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 3682977 JDMOWUFJDMRNHV-UHFFFAOYSA-N 317.794 2.603 0 50 DFAA CC(C)NC[C@H](O)Cn1c2c(c3ccccc31)CCCC2=O 4123277 AWBLKILPPQLVJA-ZDUSSCGKSA-N 300.402 2.519 0 50 DFAA CS[C@H](C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 245868976 RBGVUYRUVIGWEP-WQHBLYJGSA-N 301.358 2.663 0 50 DFAA O=C1N/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1c1ccccc1 4698985 UEPFBDUMOQFKJT-GXDHUFHOSA-N 322.320 2.555 0 50 DFAA CCOC(=O)C1CCN(Cc2ccc(O)c(OCC)c2)CC1 4978213 FJTCRYMKHPEIIG-UHFFFAOYSA-N 307.390 2.566 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 6726198 KPDZFXWEOZZXJN-ZDUSSCGKSA-N 318.417 2.521 0 50 DFAA O=S(=O)(NCCCN1CCCC1)c1ccc2ccccc2c1 7728014 LBPRJFNYGWRQEW-UHFFFAOYSA-N 318.442 2.604 0 50 DFAA CNc1ccccc1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 412314854 SXBQVWWSMKXWQC-QWQRMKEZSA-N 318.417 2.527 0 50 DFAA O=C(Nc1ccccc1N1CCCC1)N1[C@H]2CC[C@H]1CC(O)C2 110086868 CNLQISBBBQIKBL-KBPBESRZSA-N 315.417 2.806 0 50 DFAA O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCCC1 10463206 NILNXSNIHJYAHQ-UHFFFAOYSA-N 309.309 2.760 0 50 DFAA CO[C@H](C)c1nc(C)c(C(=O)N[C@@](C)(CN)CC(C)C)s1 225469192 RTRLOTGTDMSRTF-IAQYHMDHSA-N 313.467 2.652 0 50 DFAA CN1CC[C@@H](Nc2cc(=O)n3ccccc3n2)[C@@H]1c1ccccc1 225600032 VRMIPJLFNDGVJA-BEFAXECRSA-N 320.396 2.552 0 50 DFAA CCCCn1ncc(NC(=O)N2CCC3(CCNCC3)C2)c1C 415320564 VNCROGYFEWPHTG-UHFFFAOYSA-N 319.453 2.599 0 50 DFAA CC(C)=CCN1CCN(CCCc2ccccc2)C[C@H]1CCO 104369095 TZWKLUXOJQJOQW-HXUWFJFHSA-N 316.489 2.954 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1C[C@H]2C=C[C@H]1C21CC1 102762848 CYVVORUDEZUXLV-BFYDXBDKSA-N 313.445 2.688 0 50 DFAA Cc1cccc(CNC(=O)c2cccc(-n3cnnc3)c2)c1C 65491272 PJGMVGLFGZMEDG-UHFFFAOYSA-N 306.369 2.814 0 50 DFAA COCCn1ccnc1CN1CC[C@@H](c2ccc(F)cc2)C1 215217830 CXSROKNZOQAZSG-OAHLLOKOSA-N 303.381 2.658 0 50 DFAA Cc1ccsc1CN(C)C(=O)c1cc(CC(C)C)nc(N)n1 67868679 ZSBNTEAMIDUYCV-UHFFFAOYSA-N 318.446 2.899 0 50 DFAA CN(C)CCN(C)C(=O)Nc1cc(F)ccc1OCC1CC1 252488058 IIHRWWJFCVCHSQ-UHFFFAOYSA-N 309.385 2.640 0 50 DFAA c1cc(CN2CCC[C@@]3(CCNC3)C2)cc(Cn2cccn2)c1 67713711 HCJCGBONZITFLG-IBGZPJMESA-N 310.445 2.507 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72421550 PCTYAQRCQYJPKD-QGZVFWFLSA-N 318.461 2.556 0 50 DFAA C[C@H](C(=O)NCc1cnn2ccccc12)n1cnc2ccccc21 72170258 ZIYVYVRBYXLMOP-CYBMUJFWSA-N 319.368 2.561 0 50 DFAA c1ccc(Cc2noc(-c3ccc(N4CCOCC4)nc3)n2)cc1 72420478 DJVHVDLMEZWZTC-UHFFFAOYSA-N 322.368 2.559 0 50 DFAA Cc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)CC[C@H]1CCCO1 230124798 NJIYDJIIJPVSEO-ZMSDIMECSA-N 320.433 2.675 0 50 DFAA O=C(NCCn1ccnc1)Nc1cc(-c2ccccc2)ns1 355894892 XYMZMVUWLOEFOM-UHFFFAOYSA-N 313.386 2.828 0 50 DFAA NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2ccccc21 216014583 DXYFJHWEKMXOMZ-GOSISDBHSA-N 322.408 2.621 0 50 DFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](CC)c1ccccc1 151158359 SWUVBZGGUUJDFA-LSDHHAIUSA-N 312.417 2.985 0 50 DFAA CC(C)n1cc(C(=O)N(C)CC[C@H](O)c2ccccc2)cn1 77357219 YXRFJEXFBBJOPT-INIZCTEOSA-N 301.390 2.660 0 50 DFAA COc1cccc(C2=CCN(C(=O)c3ccnnc3C)CC2)c1 372236726 NGODQXJJJLRBDD-UHFFFAOYSA-N 309.369 2.723 0 50 DFAA CCCN(C(=O)[C@H]1CCOC1)[C@@H](C)CC(=O)Nc1ccccc1 240871483 IKWMVEMKSLMWCR-GJZGRUSLSA-N 318.417 2.679 0 50 DFAA CC1(C)COc2c(C(=O)N3CC[C@@]4(CCCOC4)C3)cccc21 375339117 WJPDLZGIMAALMM-IBGZPJMESA-N 315.413 2.999 0 50 DFAA C[C@]1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@]1(F)Cl 606444607 NMEIQOUXAPCRNN-HZPDHXFCSA-N 324.783 2.510 0 50 DFAA CN(c1ccccc1)c1ccc(C(=O)N(C)C2CCNCC2)cn1 178447486 OPLBEEKCWFSDMQ-UHFFFAOYSA-N 324.428 2.674 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)N(C)[C@H]2CCc3ccccc32)n[nH]1 178526260 FHLNQMDEESRIHH-PXAZEXFGSA-N 312.417 2.978 0 50 DFAA CC[C@H](C)CNC(=O)N(C)Cc1cc(-c2cccnc2)no1 426419791 OUCCAMYNSCCHAN-LBPRGKRZSA-N 302.378 2.924 0 50 DFAA O[C@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 222198895 KNENPSDASRINBO-WMLDXEAASA-N 315.392 2.688 0 50 DFAA Cc1cccc(C)c1CC(=O)N[C@@H]1COc2ccccc2C1=O 180887949 PPXGSHBCTXZNOC-MRXNPFEDSA-N 309.365 2.606 0 50 DFAA CCCC[C@@H](c1cccnc1)N(C)C(=O)Cn1ccccc1=O 97527965 JWJNWUXXLJJECJ-INIZCTEOSA-N 313.401 2.633 0 50 DFAA CC1=C(c2ccccc2)[C@H]1C(=O)N(C)Cc1nncn1C(C)C 91966195 IYLFLLLRCDEKPK-KRWDZBQOSA-N 310.401 2.921 0 50 DFAA CSCc1nc(CNC(=O)c2cnc(C)c(C)c2)cs1 97137663 HXMGOGKQDYAPLJ-UHFFFAOYSA-N 307.444 2.948 0 50 DFAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)nc1 237543320 FMEHCGFLRLGMDT-SWLSCSKDSA-N 310.353 2.798 0 50 DFAA COc1ccc2c(C)nc(N3CCN4CCCC[C@H]4C3)nc2c1 244899945 ZTJXCHNXICVPSW-AWEZNQCLSA-N 312.417 2.621 0 50 DFAA CN(Cc1cncn1Cc1ccccc1)CC1(CO)CCCC1 244748804 OOQUUPAUILIBDA-UHFFFAOYSA-N 313.445 2.916 0 50 DFAA FC1(F)CCCN(c2nccc(N[C@H]3CCCOC3)n2)CC1 624521614 QKNQGSSFARWEND-LBPRGKRZSA-N 312.364 2.693 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)c2ccc(N)nc2)cc1F 534640123 BOLRVGRGAATMNP-JTQLQIEISA-N 303.337 2.693 0 50 DFAA CCN(C[C@@H]1CCCCO1)C(=O)c1nc2cccc(C)n2c1F 299775083 JQCFRFBTYMTLND-ZDUSSCGKSA-N 319.380 2.813 0 50 DFAA COc1ccc(Cc2nc(CN(C)C3CCCC3)n[nH]2)cc1 824674628 UBOFOPRFZLVLMJ-UHFFFAOYSA-N 300.406 2.779 0 50 DFAA O[C@H]1CN(CCCCc2ccccc2)C[C@@H]1N1CCCCC1 670472615 XJKSNQDHSCCUAZ-OALUTQOASA-N 302.462 2.540 0 50 DFAA CCC(C)(C)OC1CN(C(=O)C[C@H]2Cc3ccccc3O2)C1 1362966854 FHDRHTPIHYHHFP-CQSZACIVSA-N 303.402 2.796 0 50 DFAA CN1CCCN(C2CCN(c3ccc(F)c(F)c3)CC2)CC1 952976329 FGUUKZRTAFDOGB-UHFFFAOYSA-N 309.404 2.571 0 50 DFAA Cn1ccnc1CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 170609390 AQNKMCDBTAXEGF-KGLIPLIRSA-N 304.777 2.963 0 50 DFAA O=C(N[C@H]1CCc2ccccc2C1)[C@H]1CCO[C@@H]1c1cccnc1 276757041 ZHWXGQQCMREFOA-GBESFXJTSA-N 322.408 2.833 0 50 DFAA Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@H]1C[C@@H]1C(=O)O 634832117 VBYICXXJECUVHK-SRVKXCTJSA-N 315.291 2.825 0 50 DFAA O=C(c1ccc[nH]1)N1CCc2cc(Br)ccc2C1 191564000 BRFGDWQUWAUMRY-UHFFFAOYSA-N 305.175 2.976 0 50 DFAA COc1ccc(NC(=O)N2CCC[C@H]2Cn2cccn2)cc1 584906979 BNTCQQGXHKBZFY-AWEZNQCLSA-N 300.362 2.588 0 50 DFAA O=C(NCc1cncc(O)c1)[C@H]1C[C@@H]1c1c(F)cccc1Cl 1615038753 RNPHQIIHGCAYKP-RYUDHWBXSA-N 320.751 3.000 0 50 DFAA CNC(=O)[C@@H]1CCN(c2cc(C)c3ccc(Cl)cc3n2)C1 1506421498 QPRAXKKPTPIWKI-LLVKDONJSA-N 303.793 2.769 0 50 DFAA Oc1n[nH]c(CN=c2cc(-c3ccccc3)[nH]c3ccccc23)n1 1529172793 OPFCTFAQMIHFAV-UHFFFAOYSA-N 317.352 2.760 0 50 DFAA COCCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212372661 IEWDYKDRXUKVRX-MSOLQXFVSA-N 313.397 2.553 0 50 DFAA Fc1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)cc1 5750441 LILSXGCDVMZWEA-UHFFFAOYSA-N 302.256 2.794 0 50 DFAA Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1C 12274809 XKMGPTYSFUANIW-UHFFFAOYSA-N 307.357 2.596 0 50 DFAA Cc1c(O)c(-c2ccnc(N)n2)cc2c3c(c(=O)oc12)CCCC3 13723108 OTHHAVRWGWWRJT-UHFFFAOYSA-N 323.352 2.725 0 50 DFAA Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(C)o1 16604723 JPGLDSDIKOLIAA-UHFFFAOYSA-N 316.376 2.994 0 50 DFAA CN(CCc1ccccc1)[C@H]1CCCN(Cc2nccn2C)C1 19850560 YCFGJUWCHRSHJE-SFHVURJKSA-N 312.461 2.559 0 50 DFAA Cc1ccc2ncnc(N(C)CCCn3nc(C)cc3C)c2n1 1857676056 BWXDHGVUMIHUDO-UHFFFAOYSA-N 310.405 2.673 0 50 DFAA O[C@H]1CNC[C@H]1n1ccnc1-c1ccc2c(c1)Cc1ccccc1-2 1857733023 RIWSYMGYUHURDQ-MOPGFXCFSA-N 317.392 2.627 0 50 DFAA CN(Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCOC2)CCC1 408519907 ONXJXGLOGVUXKR-QGZVFWFLSA-N 316.445 2.584 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2cnc(O)c3ccccc23)CCCO1 647608607 BXTWKBPZCDBFQE-MRXNPFEDSA-N 314.385 2.828 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(CN)o1 237243627 WUAUZXNQVFPOBX-AWEZNQCLSA-N 300.358 2.724 0 50 DFAA O=C(O)c1cccc(OCCN2CCC[C@@H]2[C@@H]2CCCOC2)c1 652448368 KHIJHYKLZHEYOB-NVXWUHKLSA-N 319.401 2.655 0 50 DFAA Cc1nc2scc(C3CC3)n2c1CNCC1(CCO)CC1 459494953 SQUKAFOAKAAWLP-UHFFFAOYSA-N 305.447 2.834 0 50 DFAA COc1ccc([C@@H](C)CCNC(=O)N2CCC(CO)CC2)cc1 266787611 MIGWPVRZCBIFFF-AWEZNQCLSA-N 320.433 2.603 0 50 DFAA COc1ccc(N(C#N)CC(=O)Nc2cccc(C(C)=O)c2)cc1 390834325 WGWSRLBATVSWSD-UHFFFAOYSA-N 323.352 2.824 0 50 DFAA CCc1noc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1 923773531 LXSPWUCYZILVJG-UHFFFAOYSA-N 300.284 2.774 0 50 DFAA Cc1nnc(N2CCC(c3nc(C)c(C(=O)O)s3)CC2)s1 864515185 JSHPRDQNWBOWGL-UHFFFAOYSA-N 324.431 2.694 0 50 DFAA Cc1cc2n[nH]cc2cc1NC(=O)[C@@H]1CCN(CC(C)C)C1 1875262672 XXMWELCGLSLULQ-CYBMUJFWSA-N 300.406 2.788 0 50 DFAA CC(C)c1ccc(NC(=O)CN2CC[C@H](CO)CC23CC3)cc1 1875299726 UIYFQESWRKAZIL-HNNXBMFYSA-N 316.445 2.985 0 50 DFAA Cc1ccc2oc(C(=O)N3CCOC[C@]3(C)C3CC3)cc2n1 890582541 IUJYUAYZTYGWLR-QGZVFWFLSA-N 300.358 2.777 0 50 DFAA O=C(O)c1c(Cl)cccc1NS(=O)(=O)c1ccsc1 349104036 DKKSQWXIWCDOPQ-UHFFFAOYSA-N 317.775 2.901 0 50 DFAA OC[C@@H]1CN(c2ncc(C(F)(F)F)s2)CCC1(F)F 359954071 IISSIOUNAZTMRJ-LURJTMIESA-N 302.268 2.616 0 50 DFAA COc1ccccc1C(=O)Nc1nn(C)c2nc(C)cc(C)c12 4743206 YVMHOUSAAJZFHC-UHFFFAOYSA-N 310.357 2.846 0 50 DFAA O=C(O)CN(CC1CC1)C(=O)c1cccc(-c2ccccc2)n1 2325769430 YZMPCURFGMEXQH-UHFFFAOYSA-N 310.353 2.685 0 50 DFAA O[C@@H](CCN=c1nc(-c2ccccc2)nc[nH]1)C1CCCCC1 2325839693 BGKVKOBVPSMAHA-INIZCTEOSA-N 312.417 2.704 0 50 DFAA COc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1 263864 NCIGNBDIEBIRET-UHFFFAOYSA-N 302.355 2.590 0 50 DFAA COc1ccc(C2=NN(C(C)=O)[C@H](c3ccco3)C2)cc1OC 522051 ZGLPIKOKBZISBL-AWEZNQCLSA-N 314.341 2.994 0 50 DFAA COc1ccc(NC(=O)N[C@@H](C)c2cn(C)nc2C)c(OC)c1 609784 VAVYEJLORSXLDC-JTQLQIEISA-N 318.377 2.628 0 50 DFAA CN(CCN1CCCC1)c1noc(-c2ccccc2)c1C(=O)O 2356145368 MWEUZUUGUANAAP-UHFFFAOYSA-N 315.373 2.572 0 50 DFAA COC(=O)c1cc2c(Br)cc(OC)c(OC)c2[nH]1 4237883 DKGRTAFJEJRVEA-UHFFFAOYSA-N 314.135 2.734 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC 4588456 WFCJLBYDRBYRAY-HNNXBMFYSA-N 318.373 2.666 0 50 DFAA CCN(CC)CCc1nnc(NC(=O)C2CCCCC2)s1 6678312 KTDKYBQOHSQMNJ-UHFFFAOYSA-N 310.467 2.941 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)cc2C)CC1 6727205 PQIYGHWRTXUUFD-CQSZACIVSA-N 302.418 2.739 0 50 DFAA CNc1ncnc2sc(C(=O)N3C[C@H]4CC[C@H]3C4)c(C)c12 102671919 BZBRIKLAXACDQJ-UWVGGRQHSA-N 302.403 2.666 0 50 DFAA OCC[C@@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1 20776831 GEJBXWPZUGXVHT-OAQYLSRUSA-N 324.468 2.798 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@H]1COc2ccccc2O1 247892530 ZCLNEJFFXGCHFK-AJNGGQMLSA-N 301.386 2.769 0 50 DFAA Cc1nc(CN(C)Cc2cccn2-c2ccc(Cl)cn2)no1 65451136 IBTUZDLXHSWARF-UHFFFAOYSA-N 317.780 2.849 0 50 DFAA O=C(Nc1cnc2n1CCCC2)[C@@H]1CCCN1Cc1ccccc1 67982008 BEKGYOMYCXJBSF-INIZCTEOSA-N 324.428 2.823 0 50 DFAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1cccc(F)c1 252667387 CXXRXKGJYGVQCJ-TXFQPVFDSA-N 306.337 2.535 0 50 DFAA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O 1385162 UCIVYNVXNNEYDV-QGZVFWFLSA-N 320.348 2.820 0 50 DFAA biogenic COc1ccc2c(c1)CCN2C(=O)CC[C@@H]1CCCCN1C 431780346 FBFYLAWRRRKGRA-HNNXBMFYSA-N 302.418 2.849 0 50 DFAA CCc1onc(C)c1NC(=O)N1CCc2ccc(O)cc2C1 332206903 YXLXPZSOIMXILY-UHFFFAOYSA-N 301.346 2.841 0 50 DFAA CCn1cnc2c(N3CC(C)(C)[C@H]3c3cccnc3)ncnc21 253428454 ANLGFUIUYOCIGT-CQSZACIVSA-N 308.389 2.829 0 50 DFAA c1ccc2[nH]c(CN(Cc3cocn3)Cc3cocn3)nc2c1 216181160 IMSGYMKWJKUTCD-UHFFFAOYSA-N 309.329 2.741 0 50 DFAA CCO[C@H]1C[C@H](N(C)C(=O)c2cnc3ccccc3n2)C1(C)C 172566508 OWGDPQOOYCFZID-HOTGVXAUSA-N 313.401 2.905 0 50 DFAA CC(C)NC(=O)c1ccc(-c2nc(-c3ccccn3)no2)cc1 124250166 VNHFJEWCDCRXJE-UHFFFAOYSA-N 308.341 2.937 0 50 DFAA COc1cc(C)sc1C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 154188071 FBQVIMAFKOGNEP-QWHCGFSZSA-N 308.447 2.621 0 50 DFAA O=C(NCc1cc2ccccc2o1)c1nc2ccccc2[nH]c1=O 216093411 VXKSPTKZSZOLPC-UHFFFAOYSA-N 319.320 2.599 0 50 DFAA CCCO[C@@H]1CCCN(Cc2ccc(OC)c(C(=O)O)c2)C1 216094179 VGSFHTNSOHOTEK-CQSZACIVSA-N 307.390 2.784 0 50 DFAA NCCNCCCCOc1ccc(Cl)cc1Br 39960873 QWKJIJPUNXHUCC-UHFFFAOYSA-N 321.646 2.810 0 50 DFAA C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H](Cc2ccccc2)C1 130883256 KACFGRDACMIPRI-TZMCWYRMSA-N 314.351 2.618 0 50 DFAA CN1[C@H]2CC[C@H]1CN(C(=O)N[C@H]1CCc3c(F)cccc31)CC2 240555830 GXNZSLGACQDUDQ-DCGLDWPTSA-N 317.408 2.691 0 50 DFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 47977526 KMWPMVMHNBCJHR-UHFFFAOYSA-N 309.797 2.672 0 50 DFAA Cc1cccc(C)c1OC[C@H](C)NC(=O)CCc1ccnn1C 185116329 OEPURXSCPQQSOG-HNNXBMFYSA-N 315.417 2.553 0 50 DFAA Cc1nc(CN2CCC(CN[C@H](C)c3ncc[nH]3)CC2)oc1C 286028047 KBKYWWXAGRYUOI-CYBMUJFWSA-N 317.437 2.577 0 50 DFAA CCCN(C(=O)c1cccc(O)n1)[C@@H]1C[C@H](OCC)C1(C)C 329902247 PGGZCOAMXZMCAI-KGLIPLIRSA-N 306.406 2.843 0 50 DFAA O=C(CCc1cccnc1)N1CC(Oc2ccccc2Cl)C1 82098107 PXPOLGWXYLYYDH-UHFFFAOYSA-N 316.788 2.957 0 50 DFAA CC[C@H](C(=O)N(C)Cc1ccccc1-n1cccn1)n1cccn1 91943490 ZIMCDPXBYSBWHD-MRXNPFEDSA-N 323.400 2.679 0 50 DFAA CCCCS(=O)(=O)N1CCC(c2nccn2C(C)C)CC1 92045506 URYDEEJROFQBOD-UHFFFAOYSA-N 313.467 2.773 0 50 DFAA CNc1cc([C@H]2C[C@@H](NC(=O)C3CCCCCC3)C2)ncn1 244659653 HGOWNPVVJOSVAG-OKILXGFUSA-N 302.422 2.851 0 50 DFAA Cc1ccc(NC(=O)CCN(C)CC2(CO)CCC2)cc1F 244718865 LSKQFCPKBDFXFD-UHFFFAOYSA-N 308.397 2.557 0 50 DFAA Cc1ccc(-c2noc(CCCN3CCO[C@@H](C)C3)n2)cc1F 298102848 SJLLHOILFGICSQ-ZDUSSCGKSA-N 319.380 2.837 0 50 DFAA CCCO[C@H]1CCCN(C(=O)Nc2cccc3cn[nH]c23)C1 299757489 KGAWNTAPDSFNFZ-ZDUSSCGKSA-N 302.378 2.986 0 50 DFAA CC[C@@](C)(CCNc1cc(N)nc(N)n1)c1ccccc1OC 824810470 QQZBNGQVHIYCOH-KRWDZBQOSA-N 315.421 2.820 0 50 DFAA CC[C@@H](NC(=O)N1CCCN(c2ccnc(C)c2)CC1)C1CC1 584894325 HJQLDDLUXTYLDC-QGZVFWFLSA-N 316.449 2.800 0 50 DFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccncc1F 670020725 NIMHGOLDMHZTFM-YHWZYXNKSA-N 314.364 2.505 0 50 DFAA Cc1cccc(OC2CN(S(=O)(=O)c3cccc(C)c3)C2)c1 952984040 YPOSKYPHDJYYRM-UHFFFAOYSA-N 317.410 2.755 0 50 DFAA Cc1cc(C(F)(F)F)ccc1CN1C[C@@H](C)[C@H](C(N)=O)C1 408473817 KIXCLGUJTMZPRB-ZWNOBZJWSA-N 300.324 2.567 0 50 DFAA CCOCCC(=O)Nc1cc(-c2ccc(O)nn2)ccc1C 952967386 BAUCUMUAQGJYDM-UHFFFAOYSA-N 301.346 2.523 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CC2(O)CCCCC2)C1 170626702 PWZVQLYHYOIESK-IYBDPMFKSA-N 324.509 2.944 0 50 DFAA C[C@H](CCO)NC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 280194203 PGDPGIZWELUTCT-RDBSUJKOSA-N 303.406 2.568 0 50 DFAA O=C(COc1ccc2c(c1)CCC2=O)NCc1ccc(F)cc1 186852896 MGGYUXWLGRCEFD-UHFFFAOYSA-N 313.328 2.650 0 50 DFAA COc1ccc2c(c1)[C@H](N[C@@H](C)C[S@@](C)=O)CCCS2 188450491 PIOPMFWPBAGZQD-GZNWPSJOSA-N 313.488 2.979 0 50 DFAA CCN(Cc1ccc2c(c1)OCO2)Cc1c(Cl)cnn1C 189577817 NTWRXYVNIBHVLV-UHFFFAOYSA-N 307.781 2.824 0 50 DFAA CS(=O)(=O)CCCN1CCC[C@@H](c2cc(F)ccc2F)C1 191675903 XTOPYYWVPJKQPS-GFCCVEGCSA-N 317.401 2.579 0 50 DFAA CCOc1ncccc1CNc1cc(-c2cccnc2)nc(C)n1 599456202 IQVYCLBSXKHOQK-UHFFFAOYSA-N 321.384 3.253 0 50 DFAA O=C(N[C@H](C(F)F)C1CC1)N[C@H](CCCO)c1ccccc1 585081538 ALNFWDBCPKPTDK-KGLIPLIRSA-N 312.360 2.843 0 50 DFAA C[C@H]1CCCc2cc(-c3noc([C@](C)(O)C4CC4)n3)c(O)nc21 585120453 OIPJLAWASIRYPS-HUTHGQBESA-N 315.373 2.895 0 50 DFAA OCC1([C@@H](NCc2c(F)cccc2F)[C@H]2CCCO2)CCC1 585116492 YPCIQGZEFNBZEF-CVEARBPZSA-N 311.372 2.765 0 50 DFAA O=C(CCC(=O)Nc1c(F)cccc1F)NCCc1ccco1 585121268 KOWBMOZQPSKBGD-UHFFFAOYSA-N 322.311 2.635 0 50 DFAA O=C(CCN1CCCCCC1=O)Nc1ccnn1C1CCCC1 1506427364 VZKQBVUIJAXUKR-UHFFFAOYSA-N 318.421 2.729 0 50 DFAA Cc1n[nH]cc1CNC1(CNC(=O)OC(C)(C)C)CCCC1 111389060 MZVRHLZXCWTCFM-UHFFFAOYSA-N 308.426 2.645 0 50 DFAA CCN(CC)c1ncccc1CNC(=O)CCC(F)(F)F 11956848 QRQRICMQCRBCIR-UHFFFAOYSA-N 303.328 2.887 0 50 DFAA CCc1c(C)sc(NC(=O)[C@@H]2CCCO2)c1C(=O)NC1CC1 13329478 RGLHRLVMUZQSRR-LBPRGKRZSA-N 322.430 2.629 0 50 DFAA COc1ccc(CN2CCN(CC=C(C)C)CCC2=O)cc1 14991467 QRHXOCSOCPATJV-UHFFFAOYSA-N 302.418 2.696 0 50 DFAA CC(C)=CCN1CCN(Cc2cccc(F)c2)C[C@@H]1CCO 19730821 MXCHYZWODQHCJW-SFHVURJKSA-N 306.425 2.661 0 50 DFAA Cc1nnc(N2CCc3[nH]nc(-c4ccccc4)c3CC2)s1 1857677414 ATWKAMSYJPPKFX-UHFFFAOYSA-N 311.414 2.842 0 50 DFAA O=C(c1cc(O)ccc1Cl)N1CCC[C@](O)(C(F)(F)F)C1 408019853 GGSSBSRUUVLOLS-GFCCVEGCSA-N 323.698 2.575 0 50 DFAA CCCO[C@H]1CCCN(C(=O)NC[C@H]2CCCS2)CC1 126470864 NNFGECFSMJOJRX-UONOGXRCSA-N 300.468 2.873 0 50 DFAA CN1CCC(CCNC(=O)c2cc3ccncc3s2)CC1 448847528 UZSCABNWYOWNBP-UHFFFAOYSA-N 303.431 2.758 0 50 DFAA CCCn1c(C)nnc1CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337315925 YDQJBPGGXNTYRE-ARFHVFGLSA-N 306.454 2.512 0 50 DFAA Cc1noc(C)c1CN1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 252016595 VZPVPTUKYYELGI-CVEARBPZSA-N 318.348 2.731 0 50 DFAA O=C(Cc1cncn1Cc1ccccc1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 253405942 UHAGVGPJWAJRMG-LNMJFAINSA-N 321.424 2.635 0 50 DFAA C[C@@H](CN1CCC[C@H](N(C)CC(=O)O)CC1)c1ccccc1 263507743 MNKQQCQEZQRTOI-RDJZCZTQSA-N 304.434 2.661 0 50 DFAA Cc1cc(C)c(CC(=O)N(C)[C@@H](CO)Cc2ccccc2)s1 912278064 IRCHOROUROVHSK-MRXNPFEDSA-N 317.454 2.969 0 50 DFAA COc1cc(O)ncc1C(=O)N1CC[C@@H](C)c2cccc(O)c21 935426940 DKGMPVGRORWGDG-SNVBAGLBSA-N 314.341 2.655 0 50 DFAA CC(C)c1ccccc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 851607616 PKCMAVISZKPXTO-MRXNPFEDSA-N 319.401 2.667 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1CC(=O)O 1857779377 KXMCMLWTHNDTSG-HBNTYKKESA-N 301.383 2.558 0 50 DFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2cncs2)CC1 863947896 NMXJVAVRXASVIE-SOUVJXGZSA-N 319.474 2.614 0 50 DFAA COC[C@H](Cc1ccccc1)NCc1ncc(Br)[nH]1 864094264 NQLZIXFICXGOBM-LBPRGKRZSA-N 324.222 2.520 0 50 DFAA COc1cccc(-c2nc(N(C)CCO)c3ccccc3n2)c1 1157390514 SCCHUVRQGQWYKO-UHFFFAOYSA-N 309.369 2.734 0 50 DFAA Cc1cc(C[S@@](=O)c2ccc(O)cc2)nc(C(F)(F)F)n1 1875322877 LIFJPEOEDHQXSF-OAQYLSRUSA-N 316.304 2.817 0 50 DFAA Cc1cc(NC(=O)C2CCNCC2)cnc1N1CCCC[C@H]1C 1875315320 PBJOLZQUAXABRC-CQSZACIVSA-N 316.449 2.707 0 50 DFAA O=C(N[C@@H]1[C@@H]2C[C@@H]1CN2)c1cc(-c2ccco2)nc2ccccc12 877072099 WRKSWDDDMOMDPC-VOZBZGINSA-N 319.364 2.585 0 50 DFAA O=C(O)[C@]1(CF)CCN(Cc2cccc(C(F)(F)F)c2)C1 1775996979 OXDUMJZPHTXYCB-ZDUSSCGKSA-N 305.271 2.952 0 50 DFAA O=C(O)[C@]1(n2ncc(C3CC3)n2)CCC[C@@H](c2cccnc2)C1 2325789436 QAVFQYYYOJXCDG-DYVFJYSZSA-N 312.373 2.688 0 50 DFAA Cc1nc(C)c(Cn2cc([C@H](N)Cc3ccccc3)nn2)s1 2325799727 UKFFLNQNBPLYKE-CQSZACIVSA-N 313.430 2.642 0 50 DFAA CN1CCO[C@H](c2nc(-c3c[nH]c4ncccc34)cs2)C1 2325801622 PXCLUGAFBUBWOD-ZDUSSCGKSA-N 300.387 2.690 0 50 DFAA CC[C@H](NC[C@]1(C)CNCCOC1)c1ccc2c(c1)CCCO2 2325813980 AYRJZKUWXMWNKV-HKUYNNGSSA-N 318.461 2.678 0 50 DFAA O=C(NCc1n[nH]c2c1CCC2)c1cnc2ccc(F)cc2c1 2325865263 UQOROECAASVDBI-UHFFFAOYSA-N 310.332 2.516 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCOC3(CCCC3)C2)c1 866706456 BUSVTQSUNMDSFE-UHFFFAOYSA-N 314.385 2.596 0 50 DFAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1 84142 QSYXPLNCWYFNQS-HNNXBMFYSA-N 311.337 2.650 0 50 DFAA biogenic Cc1ccc(NC(=O)[C@@H]2CC(=O)O[C@]23CCOC(C)(C)C3)cc1 202656 LPIHGSMSHGSVKF-KSSFIOAISA-N 317.385 2.824 0 50 DFAA biogenic CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 203923 YHGBEXBOTMKLNV-YMTOWFKASA-N 306.337 2.795 0 50 DFAA COc1cccc(N2CCN(C(=S)NC3CCCC3)CC2)c1 467701 YOBWYPXYOZOCEU-UHFFFAOYSA-N 319.474 2.634 0 50 DFAA CCOC(=O)[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1nccs1 611859 ISBBIWFOLQUSHR-ZJUUUORDSA-N 314.794 2.794 0 50 DFAA CCOC(=O)[C@H](C)Sc1nnc2c3ccccc3n(C)c2n1 797134 XZHMEBYEKVKPLS-VIFPVBQESA-N 316.386 2.560 0 50 DFAA COc1ccc(C(=O)CN2C3=NCCN3c3ccccc32)cc1 1247398 VMUGRJCEVSYDDN-UHFFFAOYSA-N 307.353 2.574 0 50 DFAA O=C(Cc1ccsc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356135458 FPBYNVNBTGTHFG-JKSUJKDBSA-N 301.411 2.668 0 50 DFAA CCN1Cc2nnc(-c3ccccc3O)n2[C@@H](CC(C)C)C1=O 2356141597 IRDQFBNSIHPMNR-ZDUSSCGKSA-N 314.389 2.600 0 50 DFAA CSC(C)(C)[C@H](N)C(=O)NCc1c(C)ccc2ncccc12 2356152476 LCXJTPBSYRVHSV-OAHLLOKOSA-N 317.458 2.628 0 50 DFAA O=C1C[C@@H](C(=O)N2CCc3ccccc32)CN1c1ccccc1 4731673 OBUCOMKFURECBL-OAHLLOKOSA-N 306.365 2.629 0 50 DFAA CCC(=O)Nc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 4740594 PRGCSRDPNSVFLE-UHFFFAOYSA-N 312.369 2.974 0 50 DFAA biogenic O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccnc1 6660506 UCTATFFFEAXWMZ-UHFFFAOYSA-N 314.732 2.715 0 50 DFAA CCc1ccc(OCCN(C)C(=O)Cc2cc(C)no2)cc1 55357779 ZQHDIPVORWQBND-UHFFFAOYSA-N 302.374 2.625 0 50 DFAA CCN(C)[C@@H](C(=O)NC[C@H]1CCN(C(C)C)C1)c1ccccc1 248051499 XMLCYXIZXQJSCG-SJLPKXTDSA-N 317.477 2.526 0 50 DFAA COc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2ccccn2)c1 67921933 RCPATGIPJSZYLF-LJQANCHMSA-N 320.396 2.961 0 50 DFAA CC(=O)c1cccc(-n2c(CCc3ccccc3)n[nH]c2=O)c1 67641587 MUKNLRCPNWPTSM-UHFFFAOYSA-N 307.353 2.548 0 50 DFAA C[C@H](N)CC(=O)NCc1cccnc1Oc1ccc(F)cc1F 67769689 SGSWZJXWIVOBOE-JTQLQIEISA-N 321.327 2.506 0 50 DFAA CCO[C@H]1C[C@@H](N(C)Cc2cn3cccnc3n2)C12CCC2 120900738 KJVXYHWUONKGJW-CABCVRRESA-N 300.406 2.509 0 50 DFAA COc1coc(-c2nc(-c3cc(F)c(F)c(F)c3)no2)cc1=O 252485653 HBDJRAHAUYVKSE-UHFFFAOYSA-N 324.214 2.783 0 50 DFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 252476751 AXJPRLXOIJSVFG-HJWJTTGWSA-N 318.417 2.601 0 50 DFAA Cc1cc(NC(=O)[C@@H](C)Cn2nc(C(F)(F)F)cc2C)no1 2791677 FTOYRRNMBRRPRD-ZETCQYMHSA-N 316.283 2.782 0 50 DFAA Cc1ccccc1Cc1nnc(CN2CC[C@]3(CCOC3)C2)o1 152292662 YUVYATOBKLEKRA-SFHVURJKSA-N 313.401 2.581 0 50 DFAA CCC[C@](C)(NC(=O)c1cnn(-c2ccccc2C)c1)C(=O)O 236847675 PKJRYLJDTVXWPF-KRWDZBQOSA-N 315.373 2.554 0 50 DFAA C[C@@H]1CN(C(=O)Cc2noc3ccc(F)cc23)C[C@@H](C2CC2)O1 333378549 VYLBCQUUSAPHNE-HWPZZCPQSA-N 318.348 2.535 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CC[C@H](N)C1 237170885 XEWBKCSLJDALSE-JQWIXIFHSA-N 316.323 2.671 0 50 DFAA CSCc1cc(C(=O)N2CCC[C@H]([C@@H](C)N)C2)ccc1F 237380691 HYPWJJORAUUNTP-YPMHNXCESA-N 310.438 2.888 0 50 DFAA CCc1c(C)nc(C)nc1N1CC(Oc2ccccc2OC)C1 77376643 MZZWVBOEIGXPEL-UHFFFAOYSA-N 313.401 2.932 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccc(F)c(F)c1 261825229 XAWQPPOWTDPCFR-DFBGVHRSSA-N 323.339 2.752 0 50 DFAA CN(C[C@@H]1CCCCO1)c1nccc(CCC(F)(F)F)n1 71751953 WIBOFDXQCSASNR-LBPRGKRZSA-N 303.328 2.977 0 50 DFAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@H]1Cc2ccccc21 241707069 QMJVGMRNROHARR-UXLLHSPISA-N 302.418 2.519 0 50 DFAA Cc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 241965757 UVJKFNOKBNDBJL-BPLDGKMQSA-N 301.390 2.859 0 50 DFAA CC(C)c1cc(C(=O)N[C@H]2CCOc3ccc(F)cc32)nn1C 173405445 PLQYCRZNHFCYSC-ZDUSSCGKSA-N 317.364 2.936 0 50 DFAA O=C(c1cccc2ccsc12)N1CCO[C@@]2(CCCOC2)C1 286293353 JLEUJGHVFQMTTP-KRWDZBQOSA-N 317.410 2.923 0 50 DFAA CC(=O)Nc1cccc(CSCc2ccn(C)c(=O)c2)c1 609389221 FHBYXHGXGJFOBN-UHFFFAOYSA-N 302.399 2.777 0 50 DFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)CCc2cccnc2)C1 220402977 PVGGBRKQPPCHJB-INIZCTEOSA-N 323.396 2.531 0 50 DFAA N[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3O)cc2)C1 426526968 QYAHTHGXGYAWRM-CABCVRRESA-N 314.360 2.808 0 50 DFAA CC(=O)c1cc(CC(=O)NCCSc2ccccn2)cs1 97766415 UAGBATPPPKHFOX-UHFFFAOYSA-N 320.439 2.797 0 50 DFAA COc1cccc(SCC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)c1 92078643 OCZZGXVWSUZHKU-CXAGYDPISA-N 323.458 2.653 0 50 DFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(C)ccc2O)C1 91997270 XHABJMLAKVJSHK-QGZVFWFLSA-N 305.374 2.808 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2C[C@H](O)[C@@]2(C)CC[C@H](O)[C@H]12 257345765 IGDPHSMKMOOQGM-RMUPJOAUSA-N 308.462 2.722 0 50 DFAA Cc1nc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 628588642 XVQLYEJVNQBMRG-KSZLIROESA-N 324.428 2.690 0 50 DFAA Cc1ccc2nc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)cn2c1 299742149 HXPGADAQXCRHQG-BMFZPTHFSA-N 313.401 2.860 0 50 DFAA COc1cccc([C@@H]2CCN(Cc3nnc(C)s3)C2)c1OC 299796723 PHJRLKWAPZDIFT-GFCCVEGCSA-N 319.430 2.853 0 50 DFAA O=C(NCc1cccnc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299785108 JDHMZUMBTXVRSA-OTWHNJEPSA-N 321.424 2.923 0 50 DFAA CCn1nc(-c2c[nH]c3ccccc23)nc1[C@H](C)NC(=O)OC 824155824 FYPYBFWGDGZCFG-JTQLQIEISA-N 313.361 2.863 0 50 DFAA CC(C)C1=NO[C@@H](C(=O)N(C)Cc2cccc(CN(C)C)c2)C1 584896375 NYECZBPBEYBZJW-QGZVFWFLSA-N 317.433 2.508 0 50 DFAA Cc1nccnc1N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685940351 GFZCEXHMHVQACM-GUYCJALGSA-N 311.389 2.604 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)NCCC2=CCCC2)cn1 275740994 VJKDQSOEBCQCFQ-JKSUJKDBSA-N 318.421 2.533 0 50 DFAA CCCOc1ccc(CNC(=O)c2c[nH]c(C)cc2=O)c(C)c1 170609861 HFZZKUHHISKPOY-UHFFFAOYSA-N 314.385 2.711 0 50 DFAA CN(Cc1nnc[nH]1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 170644445 QGJVAPXZSGEUTP-NEPJUHHUSA-N 324.306 2.586 0 50 DFAA CCC(CC)n1ncc(C(=O)NCc2ccncc2OC)c1C 408515379 ACDLFJWMWUOZBJ-UHFFFAOYSA-N 316.405 2.886 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(F)cc2Cl)C1 644117306 RCPMRSOOJDYLDW-MFKMUULPSA-N 323.755 2.804 0 50 DFAA COC(=O)COc1cccc(C(=O)NC2(CC(C)C)CC2)c1 598401746 AOIVQXVMCACVIR-UHFFFAOYSA-N 305.374 2.547 0 50 DFAA CCO[C@@H]1C[C@H](N[C@@H](C)c2nccn2C)[C@H]1Oc1ccccc1 658336220 PNMNSBZQCZILJM-QMCVQRASSA-N 315.417 2.696 0 50 DFAA CN(C)C(=O)c1cccnc1N(C)Cc1cccc2cccnc12 1148650595 AHTMMGDKXVTXRA-UHFFFAOYSA-N 320.396 2.968 0 50 DFAA CC(C)[C@@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C(F)(F)F 585087270 YFBDVFLJITZMAO-NXEZZACHSA-N 324.343 2.699 0 50 DFAA Cc1nc(-c2ccccc2)oc1C(=O)N1[C@@H](C)CC[C@H]1C(=O)O 1615054720 XGLVRYJSLMCZPQ-GWCFXTLKSA-N 314.341 2.728 0 50 DFAA Nc1ccc(OC(F)(F)F)cc1I 2540438 QDKAGYKFJHVWBK-UHFFFAOYSA-N 303.021 2.772 0 50 DFAA in-vitro NCC[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 1704313226 ITAKPLFERAQFOA-GFCCVEGCSA-N 315.373 2.605 0 50 DFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccccc1Cl 1704329166 NWAWBPGTNBWNEG-UHFFFAOYSA-N 320.824 2.576 0 50 DFAA O=C(C1Cc2ccccc2C1)N1CCC(c2ccnc(O)c2)CC1 1772813054 UPMVNDKUAGYRGZ-UHFFFAOYSA-N 322.408 2.908 0 50 DFAA Cc1ccc(N(C(=O)C(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1C 5071166 RAJDHZVWEZXOEC-OAHLLOKOSA-N 307.415 2.603 0 50 DFAA COc1ccc(-c2noc(CN(C)C[C@@H]3CCCCO3)n2)cc1 11879201 LTDVHNUNSCONMY-HNNXBMFYSA-N 317.389 2.746 0 50 DFAA O=C(C[C@@H](C(=O)O)N1CCCCC1)Nc1cccc(Cl)c1 16346390 VOYQNPJTXSZKFC-ZDUSSCGKSA-N 310.781 2.608 0 50 DFAA Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 16605178 SBEJERLKOWJOND-UHFFFAOYSA-N 308.425 2.996 0 50 DFAA Cc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1C 17477785 FJRMGMXZGOUGFK-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 19792324 OESYKOSTJSFQQI-QGZVFWFLSA-N 324.424 2.798 0 50 DFAA OCc1ccc(CN[C@@H]2CCCN(CC3CCCCC3)C2)o1 19839454 OMQUPODZOFGJAJ-MRXNPFEDSA-N 306.450 2.906 0 50 DFAA COCCOCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 202039666 SQFVSZOOIDYAGH-UHFFFAOYSA-N 324.377 2.635 0 50 DFAA Cc1scnc1[C@@H](C)NC(=O)c1nc2ccccn2c1C 1857735776 SXCLERRMNWXTHH-SECBINFHSA-N 300.387 2.899 0 50 DFAA CC[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CC[C@@H]1N 647003238 RGZOYCOZDUPUNH-YJBOKZPZSA-N 300.446 2.694 0 50 DFAA O=C1O[C@@H](CSc2nc3cc(Cl)cnc3[nH]2)CC12CC2 762943383 CCPAZDGWEDOJRF-MRVPVSSYSA-N 309.778 2.799 0 50 DFAA Cc1ccc(OC2CCN(C(=O)C3(C(=O)O)CC3)CC2)cc1C 154831695 BRCGSOTUZJKHEQ-UHFFFAOYSA-N 317.385 2.538 0 50 DFAA CCNC(=O)[C@@H]1CCCN(CCOc2ccc(Cl)cc2)CC1 1857596017 JNQWTHKDDLYAPK-CQSZACIVSA-N 324.852 2.957 0 50 DFAA CC1(C)Cc2c(cnn2-c2ccccc2)CN(Cc2cnon2)C1 952893041 QYHOIJWMUITZES-UHFFFAOYSA-N 323.400 2.840 0 50 DFAA C[C@H]1C[C@@H](NCC(=O)Nc2cnc3ccccc3c2)c2nccn21 1875265736 JHJBORRIVHEKBN-BLLLJJGKSA-N 321.384 2.665 0 50 DFAA C1=C[C@@]2(CCCN(c3nccn4cnnc34)C2)Oc2ccccc21 896886145 RYSUKDHZIHSMHJ-GOSISDBHSA-N 319.368 2.569 0 50 DFAA O=C(N[C@H](c1ncccn1)C1CC1)c1cccnc1C(F)F 906232035 ZUHLXNISBJIXGK-NSHDSACASA-N 304.300 2.690 0 50 DFAA Cc1ccc(C(N)=O)cc1C(=O)NCC[C@@H]1CCc2ccccc21 2325792926 VYNBLORRPKXTKX-HNNXBMFYSA-N 322.408 2.944 0 50 DFAA CN(C)CC1(c2nc(-c3cccc(-c4cc[nH]n4)c3)no2)CC1 2325803536 MVQROJVVWKKAIO-UHFFFAOYSA-N 309.373 2.720 0 50 DFAA Cc1[nH]c2ccc(I)cc2c1CCN 33502 CGAUVNDNYGZXTQ-UHFFFAOYSA-N 300.143 2.582 0 50 DFAA biogenic,in-vitro COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1 267722 FCQQSWBWHBFVGN-UHFFFAOYSA-N 321.354 2.503 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1 299165 WNINYSLIEXVMMA-SSDOTTSWSA-N 317.292 2.963 0 50 DFAA CCOC(=O)N(CCCC(=O)OC)C[P@@](C)(=O)OC(C)C 2904306 FQWMWKQQILEZGS-NRFANRHFSA-N 323.326 2.689 0 50 DFAA O=C1NCCC[C@@]12CCCN2CCCCOc1ccccc1 2356142688 CMRAYKBEZRTTBB-GOSISDBHSA-N 302.418 2.590 0 50 DFAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cn2cccn2)cc1 2356165630 LQSKPQHKSQHDHM-BWTSREIZSA-N 311.429 2.809 0 50 DFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 4809622 KJCGEINEBWWNAD-UHFFFAOYSA-N 323.805 2.771 0 50 DFAA CSc1cccc(NC(=O)NCCC(=O)N2CCCC2)c1 53977380 AORBPPVQHZFXOK-UHFFFAOYSA-N 307.419 2.543 0 50 DFAA COC[C@H](C)N(Cc1ccccc1OC)C(=O)c1ccncc1 55393066 XTGPJXIWGDBBAG-AWEZNQCLSA-N 314.385 2.768 0 50 DFAA CC1CCN(C(=O)c2ccc(OCC3CCNCC3)cc2)CC1 66323492 PYGINGCOWRRPGL-UHFFFAOYSA-N 316.445 2.937 0 50 DFAA COC(=O)CC1CCN(C(=O)c2ccccc2OC2CC2)CC1 352218300 MGUISGLEJNPEBY-UHFFFAOYSA-N 317.385 2.643 0 50 DFAA Cc1cccc(S(=O)(=O)N2CCN(C)Cc3ccccc32)c1 171710419 OZXKYQPBOOMWLI-UHFFFAOYSA-N 316.426 2.636 0 50 DFAA CSCCc1c(-c2ccccc2)ncn1CCNC(C)=O 65461580 RSFYNSKRRIMVGG-UHFFFAOYSA-N 303.431 2.592 0 50 DFAA FC(F)(F)c1ccc(N2CCN(Cc3cccnc3)CC2)nc1 65375724 SBEYXRXTEKZPKT-UHFFFAOYSA-N 322.334 2.818 0 50 DFAA CCCCc1noc([C@H](C)N[C@H]2CCN(C(C)=O)C[C@H]2CC)n1 252476982 FZKSXYRMTRJKMZ-CFVMTHIKSA-N 322.453 2.710 0 50 DFAA C[C@@H](Oc1cccc(-n2ccnc2-c2ccccn2)c1)C(=O)O 67743156 YPIAYMNXJSRYHX-GFCCVEGCSA-N 309.325 2.786 0 50 DFAA NCCNC(=O)c1cccnc1SC/C=C/c1ccccc1 63883520 HSQCDQXOGJCWPJ-VMPITWQZSA-N 313.426 2.576 0 50 DFAA Cc1cc(Cl)ccc1O[C@@H](C)c1ccnc2nc(N)nn12 1401842 UOXAJOLQNFRWKE-VIFPVBQESA-N 303.753 2.808 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)CCC1CCC1 329854129 SKGHEIKXSKEHDT-JTQLQIEISA-N 300.424 2.505 0 50 DFAA CN1C(=O)[C@](O)([C@H]2C[C@H](C(C)(C)C)CCC2=O)c2ccccc21 4557866 NOXDVAUQYFVDDK-SPKLELGKSA-N 315.413 2.882 0 50 DFAA C[C@H]1CN(Cc2cccc(-c3ccccc3)c2)CCN1CCO 428453530 BJPZXJURJCNXTG-KRWDZBQOSA-N 310.441 2.852 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)NCc2ccccc2)C1 6738336 UPGCBOBIYSBTET-KRWDZBQOSA-N 310.353 2.505 0 50 DFAA O=C([C@H]1CCCCC(O)=N1)N1CCC[C@@H](c2ccncc2)C1 328597230 GBAREJTYNYSSRZ-HUUCEWRRSA-N 301.390 2.687 0 50 DFAA Cn1ccnc1-c1nccn1[C@H](Cn1cccn1)c1ccccc1 72149289 RROUMJASVWWSRR-MRXNPFEDSA-N 318.384 2.770 0 50 DFAA Cn1ccc(C(=O)Nc2ccc(F)cc2-n2cccc2)cc1=O 253425356 HZQWFMIIOPOJKT-UHFFFAOYSA-N 311.316 2.567 0 50 DFAA COc1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1 71763221 IQLRDMYUYSLPEJ-ZDUSSCGKSA-N 305.765 2.717 0 50 DFAA C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccn2)C[C@@H](C)N1 153850823 LZARPUKAKHKRQJ-OKILXGFUSA-N 311.385 2.696 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3c(c1)ncn3C)CO2 154508366 XPBIURFFENBTQH-OAHLLOKOSA-N 307.353 2.745 0 50 DFAA Cc1ccc(F)cc1NC(=O)N1CCC[C@H](Cn2ccnn2)C1 154502961 JKQULZUSBKHNDW-ZDUSSCGKSA-N 317.368 2.670 0 50 DFAA O=S(=O)(c1sccc1Cl)N1CCC[C@@H](CCO)CC1 331647122 NYXZNYNRHAWPBX-SNVBAGLBSA-N 323.867 2.575 0 50 DFAA O=C(c1coc2ccccc12)N1CCC[C@@H](Cn2ccnn2)C1 126417989 IIKNGLCBKPZINB-CYBMUJFWSA-N 310.357 2.577 0 50 DFAA COc1ccc2c(c1)[C@H](C(=O)N1C[C@H](C)Oc3ncccc31)CC2 372866324 CAFQPDSQPPKXCN-SWLSCSKDSA-N 324.380 2.934 0 50 DFAA COC[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1ccco1 173810859 TXFAYHOQYDNJIR-LLVKDONJSA-N 307.371 2.531 0 50 DFAA C[C@H]1OCCN(C(=O)c2ccccc2)[C@@H]1c1nc(C2CC2)no1 285424421 OACNSWHEQKFUST-RISCZKNCSA-N 313.357 2.549 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(N3CCC3)nc2)Cc2ccccc2O1 452372189 UVITUUMVDIOMCX-AWEZNQCLSA-N 323.396 2.715 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 288456213 PSGFMZNXONMKHX-CQSZACIVSA-N 312.369 2.579 0 50 DFAA Cc1occc1C(=O)N1CCCN(Cc2cccs2)CC1 41363737 UMJFBJCXDPMLEL-UHFFFAOYSA-N 304.415 2.998 0 50 DFAA O=C(C[C@@H]1CCCOC1)N1CCC(Cc2cccnc2)CC1 426549885 GXJWOIPWTZZFLY-KRWDZBQOSA-N 302.418 2.679 0 50 DFAA Cn1c(-c2nccn2-c2ccc(C(N)=O)cc2)nc2ccccc21 82172041 QAFBAKOIOBWWMF-UHFFFAOYSA-N 317.352 2.525 0 50 DFAA Nc1nc(NCCc2ccc(Cl)cc2)cc(C2CC(O)C2)n1 220055961 SBGHHOVTLSBZKQ-UHFFFAOYSA-N 318.808 2.605 0 50 DFAA COc1ccc2sc(C(=O)N(C)[C@@H]3CCNC3)c(C)c2c1 179092213 IZLFCNMFTRQHED-LLVKDONJSA-N 304.415 2.652 0 50 DFAA Cc1ccc2c(CC(=O)N3CC[C@@H](C(=O)O)C3)coc2c1C 237871873 BRMZARFQSFJCSD-GFCCVEGCSA-N 301.342 2.525 0 50 DFAA CN1CCC[C@@H](CCc2nc(-c3ccc4[nH]cnc4c3)no2)C1 96165009 CQXDEWMASYLZQM-LBPRGKRZSA-N 311.389 2.887 0 50 DFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@@]2(CCCO2)CC1 97819705 URASEKYKRJILLI-CYBMUJFWSA-N 317.311 2.604 0 50 DFAA FC(F)(F)c1ccn([C@@H]2CCCN(CC3=CCCOC3)C2)n1 180799348 DLCSDPNTDRXARC-CYBMUJFWSA-N 315.339 2.886 0 50 DFAA O=C1[C@H]2CC[C@H](CN(c3ccc(Cl)cn3)C2)N1CC1CCC1 91849346 XSIOGDJHPZTXII-DZGCQCFKSA-N 319.836 2.962 0 50 DFAA O=C(Cc1ccc(F)cc1Cl)N1CCCC[C@@H]1c1nc[nH]n1 181372214 ORBCTMWAAKTEEO-CYBMUJFWSA-N 322.771 2.894 0 50 DFAA CCC[C@@H](NC(=O)COc1cccc(F)c1)c1nccn1C 299774284 FUYIBHNTPPMTLC-CQSZACIVSA-N 305.353 2.596 0 50 DFAA COCCn1cncc1CNC(=O)Nc1ccc(C)c(Cl)c1 299762063 KNJRIAAZNZCVRT-UHFFFAOYSA-N 322.796 2.813 0 50 DFAA COCCc1nc([C@H]2CCOC2)n(Cc2ccccc2Cl)n1 670435294 ZZCQCIPJMNJEKE-ZDUSSCGKSA-N 321.808 2.673 0 50 DFAA CCc1ncc(CN(C)Cc2ccccc2-n2cccn2)cn1 670444675 GMYYYXFCGWBGGG-UHFFFAOYSA-N 307.401 2.857 0 50 DFAA Cc1ccsc1CNc1ccc(C(=O)N2CCOCC2)cn1 881847857 LUFHEBWUEVZBTB-UHFFFAOYSA-N 317.414 2.536 0 50 DFAA CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 221865020 WHLPXMIONBUQDM-HZSPNIEDSA-N 313.467 2.554 0 50 DFAA Cc1n[nH]cc1CNC(=O)N1CCC(c2ccsc2)CC1 275244590 HHPDDXICQVYBFM-UHFFFAOYSA-N 304.419 2.869 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H](C)C2)cc1 186462600 QZCANZIWRJGTKB-CQSZACIVSA-N 300.402 2.751 0 50 DFAA CC(C)c1csc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)n1 189918485 NZCLNHHQSOXUGF-ZDUSSCGKSA-N 316.386 2.793 0 50 DFAA CC[C@@H](Nc1ccc2c(c1)OCC(=O)N2)C(=O)OC(C)(C)C 190530527 WEZXDOFXVIALFT-LLVKDONJSA-N 306.362 2.550 0 50 DFAA CN(C)c1noc(CN2CCC[C@@]2(C)Cc2ccccc2)n1 192804540 MJUKNFQWPASAEK-KRWDZBQOSA-N 300.406 2.733 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 195551107 DOIIVEYIRBJKNR-TYNCELHUSA-N 312.435 2.785 0 50 DFAA c1ccc(C[C@H]2CCC[C@@H]2N=c2ccc3ncc[nH]c-3n2)nc1 585098905 PJSZVAVLINDHEN-HIFRSBDPSA-N 305.385 2.617 0 50 DFAA Cc1cc(NC(=O)CSC[C@@H]2CCCCO2)c(Cl)nn1 585124990 CGRFGJOGFXOZFE-JTQLQIEISA-N 315.826 2.679 0 50 DFAA CCCCCOCC(=O)Nc1cc(-n2ccnn2)ccc1F 585114350 HZBHGRBCSWPLNI-UHFFFAOYSA-N 306.341 2.552 0 50 DFAA Cc1cc(C(=O)N(C)CCc2nc3ccccc3[nH]2)ns1 585130268 LVRDHECQPYZENW-UHFFFAOYSA-N 300.387 2.643 0 50 DFAA CSCc1nnc(SC[C@]23CCCC[C@H]2CC(=O)O3)o1 585133058 PRSGYMBSRCSBEM-TVQRCGJNSA-N 314.432 2.901 0 50 DFAA Clc1cc(CN2CC[C@H](c3cnccn3)C2)cc2c1OCO2 1615572263 RERLUGYGUUASMC-LBPRGKRZSA-N 317.776 2.848 0 50 DFAA Cc1cccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)n1 1615737833 ZTTREMDQQFRDFA-PMACEKPBSA-N 323.440 2.648 0 50 DFAA c1ccc2[nH]c(C[C@H]3CCCN(CCn4ccnc4)C3)nc2c1 1529103593 DQTHEHKMYMUZKY-OAHLLOKOSA-N 309.417 2.714 0 50 DFAA CC(C)(C[C@@](O)(CO)C(F)(F)F)c1cccc2c1OCC2 116342611 SJYCIBCPQABCSD-CQSZACIVSA-N 304.308 2.575 0 50 DFAA C[C@H]1CN(C(=O)CCCC2(C)N=N2)C[C@@H](CC(F)(F)F)O1 1615056628 LHDXVEUXWABTKD-VHSXEESVSA-N 307.316 2.907 0 50 DFAA Cn1cc(C=Cc2nc(-c3ccccc3)ncc2C(=O)O)cn1 1857532042 AQPOLEVSSNPPKP-UHFFFAOYSA-N 306.325 2.746 0 50 DFAA OC[C@@H]1OCCN(Cc2cnsc2)[C@H]1c1ccccc1Cl 1875247400 UVHUMAKIEGMLEH-GJZGRUSLSA-N 324.833 2.731 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3COC(C)(C)C3)cc2)n1 617062356 ZINVKPYFRMBUBQ-OAHLLOKOSA-N 313.401 2.786 0 50 DFAA Cc1cn2c(CNC(=O)c3ccn(C(C)C)n3)c(C)nc2s1 328592349 VREOTMQKEIMUSB-UHFFFAOYSA-N 317.418 2.720 0 50 DFAA CCn1nccc1CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 328632215 LDZNDDFVGZZCCC-QGZVFWFLSA-N 313.449 2.852 0 50 DFAA CC[C@H](C)Oc1cc(C(=O)N2[C@H]3CC[C@H]2CC(O)=NC3)ccn1 329349550 DVSIEGPWBJEVHQ-UBHSHLNASA-N 317.389 2.592 0 50 DFAA COc1ccc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc1 6484558 VOOFPOMXNLNEOF-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vitro CCc1cc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)n(C)n1 635358021 SUTUXCYNJIKGGK-MRXNPFEDSA-N 315.392 2.969 0 50 DFAA CN(CC(C)(C)O)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 458863632 KIRLZRGLSAPOQM-HAQNSBGRSA-N 310.825 2.998 0 50 DFAA CSc1ccccc1[C@@H](C)NC(=O)NC1CCN(C)CC1 253397807 YMEYTIGMXVZMSL-GFCCVEGCSA-N 307.463 2.863 0 50 DFAA Cc1oc2ccccc2c1CC(=O)N1CCC[C@@H]1c1nncn1C 372010687 QDLBNYMGNQCWHJ-OAHLLOKOSA-N 324.384 2.776 0 50 DFAA C[C@H]1COc2ccccc2CN1C(=O)c1ccc(C(=O)O)s1 263574183 NJOWIRHIDGTHGR-JTQLQIEISA-N 317.366 2.870 0 50 DFAA CC1(C)C[C@@H](NC[C@@H]2CCCc3ccc(C(=O)O)cc32)CO1 901877904 CVBFINWAPKEZFY-LSDHHAIUSA-N 303.402 2.962 0 50 DFAA O=C(N[C@H]1CC[C@@H](CO)CC1)c1c[nH]cc1Cc1ccccc1 934867303 FELVUWCIMDXZCM-WOVMCDHWSA-N 312.413 2.886 0 50 DFAA Cc1nn(C)c2nc(C(=O)Nc3ccc4c(c3)CCOC4)ccc12 1875267964 CELOTQRGMIKJJC-UHFFFAOYSA-N 322.368 2.602 0 50 DFAA O=C([C@H]1CCCn2cnnc21)N1CC2(CCC2)[C@H]1c1ccccc1 1875294015 KPUANSHAZGQGIL-JKSUJKDBSA-N 322.412 2.909 0 50 DFAA C[C@H](N=c1cc(Cl)[nH]c(=N)[nH]1)c1cc(F)c(F)c(F)c1 1875256798 YZHMUJSQMODMDO-YFKPBYRVSA-N 302.687 2.555 0 50 DFAA COc1ccc2[nH]c(C)c(C(=O)NC[C@@H](C3CC3)N(C)C)c2c1 1875264535 WHAAUBFPHQAXNJ-INIZCTEOSA-N 315.417 2.555 0 50 DFAA CC(C)C[C@@H](ON)c1nc(-c2ccn(-c3ccccc3)n2)no1 1875291449 ZQYXEISKWPPAIJ-CQSZACIVSA-N 313.361 2.900 0 50 DFAA FC(F)(F)[C@@H]1CC[C@@H](CCNC2CC(n3ccnc3)C2)O1 1875405752 NSYLOCWNLIXIPE-TYUFSLCMSA-N 303.328 2.676 0 50 DFAA CCc1nnc(C[C@@H]2CC[C@H](Nc3cc(C)nc(C)n3)C2)o1 1775958043 ZDNFENALTKGAIN-OLZOCXBDSA-N 301.394 2.862 0 50 DFAA Cc1nc(C(=O)NC[C@@H]2CCNC2(C)C)c(-c2ccccc2)o1 2325786504 RAIRSCNCRNXFJA-AWEZNQCLSA-N 313.401 2.768 0 50 DFAA Cc1nnc([C@H]2CN(Cc3cccc(Cl)c3C)CCO2)o1 864277871 XLACMWFSPDGZKG-CQSZACIVSA-N 307.781 2.913 0 50 DFAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 244559 YPFXSFAKYUFUNL-NSHDSACASA-N 313.275 2.756 0 50 DFAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCOCC1 450617 BPSOSALBQUNKQQ-UHFFFAOYSA-N 324.380 2.720 0 50 DFAA OC[C@H]1CCCCN1C1CCN(CCc2ccccc2)CC1 757724 OMZWBQCUDFGCOD-LJQANCHMSA-N 302.462 2.540 0 50 DFAA Cc1cc(C)nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1 1196351 PFNUKPGBWCMTEX-UHFFFAOYSA-N 317.370 2.522 0 50 DFAA CCCn1c2ccccc2c2nnc(SCC(=O)O)nc21 2494931 BZOOHWIELUXWHR-UHFFFAOYSA-N 302.359 2.566 0 50 DFAA CC(C)(C)NC(=O)COc1ccc(CNCc2ccco2)cc1 6697420 UPNVOVCXBFIXNO-UHFFFAOYSA-N 316.401 2.863 0 50 DFAA CCCCNCc1cc(Cl)cc(Cl)c1OCC(N)=O 6743027 QIPVEGZTWGLWIQ-UHFFFAOYSA-N 305.205 2.747 0 50 DFAA CCCc1nc(CN(CC)C(=O)c2onc3ccccc23)no1 55393196 QKTOYGDFPZLQIC-UHFFFAOYSA-N 314.345 2.826 0 50 DFAA OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1C1CCCC1 20775624 UPXPNMTZVFXYLK-GOSISDBHSA-N 324.415 2.776 0 50 DFAA Cc1[nH]c2nc(-c3ccccc3)nn2c(=O)c1Cc1ccccc1 101190192 JXCLYNUJRLWGDX-UHFFFAOYSA-N 316.364 2.984 0 50 DFAA CNC(=O)[C@H]1CCN(c2cc(C)c3cc4c(cc3n2)CCC4)C1 55225064 OYFMXPXBYILSPO-HNNXBMFYSA-N 309.413 2.604 0 50 DFAA OCC[C@@H]1CN(Cc2ccc(F)cc2F)CCN1C1CCCC1 20513882 JCBOGDHWBYIXOT-QGZVFWFLSA-N 324.415 2.776 0 50 DFAA Cc1ccc(N2C[C@@H](c3nnc(N)s3)CC2=O)cc1Cl 20204047 RJTQSULJHIPADR-QMMMGPOBSA-N 308.794 2.603 0 50 DFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)c2c1 1074573965 VLLHTLCGUNZMNR-IAOVAPTHSA-N 312.413 2.929 0 50 DFAA CCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)CC)CC1 20973708 LJZVVSMYOZKKLI-UHFFFAOYSA-N 323.824 2.747 0 50 DFAA Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1 120038320 FRQFDVJTRMDKEG-INIZCTEOSA-N 321.384 2.583 0 50 DFAA CCO[C@@H](C)c1noc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)n1 229923768 MXFBDYJPLDIDJV-QWHCGFSZSA-N 319.409 2.578 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCc2nnc(-c3ccccc3)o2)n1 65382237 IBFWKICOWVGNIK-CYBMUJFWSA-N 311.389 2.728 0 50 DFAA CCNC(=O)NCC1CCN(Cc2cc3ccccc3[nH]2)CC1 67446817 LEFHBUNBDJHPDC-UHFFFAOYSA-N 314.433 2.699 0 50 DFAA CNS(=O)(=O)c1ccc(CN(C)Cc2sccc2C)cc1 71708062 WTSZPQFMQPMECH-UHFFFAOYSA-N 324.471 2.597 0 50 DFAA COC1(c2noc(CCc3ccccc3C)n2)CCOCC1 332653593 KTZCJBYQYCACON-UHFFFAOYSA-N 302.374 2.815 0 50 DFAA Cc1cc(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)on1 71721594 FXOZMDLXXXYRNR-OAHLLOKOSA-N 305.422 2.566 0 50 DFAA CN1[C@H]2CC[C@@H]1CN(Cc1nn(C)c3cccc(Cl)c13)CC2 216327914 CBRYGSSAFLWKDG-QWHCGFSZSA-N 318.852 2.895 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 261710056 DIZMTNPHKWXHNO-IXDOHACOSA-N 309.365 2.876 0 50 DFAA CO[C@H]1CCN(c2nc(N(C)C)c3ccccc3n2)C[C@@H]1C 450752561 FYSJGAILODLEIV-WFASDCNBSA-N 300.406 2.557 0 50 DFAA O=C(/C=C/c1ccc[nH]1)N1CCC[C@@]1(CO)Cc1ccccc1 372763652 GLFCLMPCPMZWES-YXBWYFRISA-N 310.397 2.624 0 50 DFAA Cn1ncc2c(NCC[C@H]3CCOC3)nc(C3CCCC3)nc21 72140310 MFRRBWWYVOTMMB-LBPRGKRZSA-N 315.421 2.859 0 50 DFAA c1ccc(-n2nc(-c3nc([C@H]4CCOC4)no3)c3c2CCC3)cc1 120423971 AHXPBGZWVNMXQF-LBPRGKRZSA-N 322.368 2.915 0 50 DFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCCn1cccn1 72454529 KCYYFSCTSJPRJR-UHFFFAOYSA-N 324.384 2.977 0 50 DFAA Cc1[nH]c2ccc(CNC(=O)CN3C[C@@H]4CC[C@H]3C4)cc2c1C 71730636 ZFEUFZDWPLIZTF-CVEARBPZSA-N 311.429 2.885 0 50 DFAA COc1cccnc1NC(=O)c1cc(Cc2ccccc2)n[nH]1 241923286 UERNZGIDNPVYTL-UHFFFAOYSA-N 308.341 2.656 0 50 DFAA Cc1cc2nc(CNC(=O)c3cnn4c3CCCC4)[nH]c2cc1C 72150551 KICSAUUTYMBJPO-UHFFFAOYSA-N 323.400 2.643 0 50 DFAA CN1CC[C@H](Nc2cccc(NC(=O)C3CCCCC3)c2)C1=O 175285374 LREYFWHYLIGZJF-INIZCTEOSA-N 315.417 2.848 0 50 DFAA Cc1ccn(C)c(=O)c1NC(=O)Cc1ccc(C(F)(F)F)cc1 175702592 QHFSWLVDTORBIG-UHFFFAOYSA-N 324.302 2.894 0 50 DFAA CCc1nc(C)cc(N2CCC[C@@H](Oc3ncccc3F)C2)n1 287523347 AWLRJCIYJHMIFX-CYBMUJFWSA-N 316.380 2.929 0 50 DFAA CSc1ncccc1C(=O)N(C)Cc1noc(CC(C)C)n1 223366977 ZJUXTQZJCLOXHE-UHFFFAOYSA-N 320.418 2.657 0 50 DFAA CCc1cc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)N(C)C)on1 95353275 VKJUSEGRYONAPQ-MRXNPFEDSA-N 319.380 2.637 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 237955760 VANNBXDSYOEEFS-AWEZNQCLSA-N 301.386 2.822 0 50 DFAA Cc1cccnc1CN1CCN(c2ncc(Cl)cc2F)CC1 95516355 GEVUCHWJFCFQGP-UHFFFAOYSA-N 320.799 2.900 0 50 DFAA CCCCc1nc(Cl)c(CN2CC[C@]3(CCCNC3=O)C2)[nH]1 91665217 KSJYXSLTCFHABV-MRXNPFEDSA-N 324.856 2.508 0 50 DFAA COCCn1cc(CN2CCC[C@H]2COc2ccccc2)cn1 295006727 IZLCIKQHDWZVNP-KRWDZBQOSA-N 315.417 2.573 0 50 DFAA COCc1ccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1 299351277 KJKJUVKPMUNVRK-OAGGEKHMSA-N 317.385 2.691 0 50 DFAA CC(C)NC(=O)CCCc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299748003 FTKWYJJBFZQFJC-WFASDCNBSA-N 323.437 2.836 0 50 DFAA Cc1nonc1[C@H]1CCCN1C(=O)c1cccc2ncsc12 1940193534 PORBFFHDWYTDCC-GFCCVEGCSA-N 314.370 2.965 0 50 DFAA CCc1ncc(S(=O)(=O)N[C@H](CC)c2ccc(F)cc2)[nH]1 822655555 WYJSFRAFNCCUEF-GFCCVEGCSA-N 311.382 2.541 0 50 DFAA Cc1nc(CN2CCC[C@@H](COc3ccccc3C)C2)no1 670473484 ZYVKTCOCPWFSMD-OAHLLOKOSA-N 301.390 2.977 0 50 DFAA Cn1ccnc1[C@H](NC1CSCCSC1)c1ccccc1 670445941 VCKBAEBRCQYVLM-OAHLLOKOSA-N 319.499 2.948 0 50 DFAA CCCCN(C(=O)CCc1cnn(C)c1)[C@@H]1CCCC[C@H]1OC 408520681 SDEWPARCJVXIKY-IAGOWNOFSA-N 321.465 2.939 0 50 DFAA Cc1ccc(NC(=O)N2CC(C)C2)cc1NC(=O)N1CC(C)C1 170597263 SPTXYCRXMOATRX-UHFFFAOYSA-N 316.405 2.962 0 50 DFAA CCC[C@]1(C)NC(=O)N(C[C@H](C)Oc2cccc(OC)c2)C1=O 170592659 RFXTXHSKTAPBGE-SJCJKPOMSA-N 320.389 2.573 0 50 DFAA Cn1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1=O 170623555 VOAOZBNKEJYQAT-UHFFFAOYSA-N 301.733 2.680 0 50 DFAA O=C(COc1ccccc1F)N1CCCCC[C@@H]1c1ncon1 273324104 ZYNGTFNECNFYFW-CYBMUJFWSA-N 319.336 2.731 0 50 DFAA Cc1noc(C)c1C(=O)Nc1ccc(O[C@H](C)C(=O)O)c(F)c1 630259802 RAZPPLBEJDRWBE-SECBINFHSA-N 322.292 2.535 0 50 DFAA COC(=O)c1ccc(N2CC=C(c3cccs3)CC2)nn1 301307064 ZPDOSHKGGPRQJX-UHFFFAOYSA-N 301.371 2.618 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)NCCn1c(C)nc2ccccc21 277217698 XGZWIDAENYQSEA-RHSMWYFYSA-N 315.417 2.666 0 50 DFAA Cn1c(CCNC(=O)[C@@H]2C[C@@H]2C2CCC2)nc2ccc(F)cc21 170020865 DDGRRFVAPXIDOB-ZIAGYGMSSA-N 315.392 2.807 0 50 DFAA CC(C)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)c1 663121924 UTKSELQNNXUMHJ-MRXNPFEDSA-N 312.369 2.631 0 50 DFAA CC(C)c1nccn1CC(=O)NC[C@H](C)Oc1cccc(F)c1 585132314 TXPJLEISLBIHGX-ZDUSSCGKSA-N 319.380 2.729 0 50 DFAA Cc1cn2nc(N[C@H]3CCN(Cc4ccsc4)C3)ccc2n1 780059695 QWTQAOYXQRLZJC-AWEZNQCLSA-N 313.430 2.786 0 50 DFAA O=C(O)C12CCC(NCc3cc(Br)co3)(CC1)C2 1875272294 RNQBSQVBUZMJPK-UHFFFAOYSA-N 314.179 2.919 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(OC)cc3F)C[C@@H]21 1704306207 SMGCUPNYURWXBD-HNJNHCNJSA-N 321.392 2.848 0 50 DFAA CC[C@@H](C)c1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O 13771935 AAVWRZDXNBQTSL-SNVBAGLBSA-N 318.398 2.964 0 50 DFAA c1ccc(C(CN2CCc3nncn3CC2)c2ccccc2)cc1 15005964 MNAAQHGWSSTPQI-UHFFFAOYSA-N 318.424 2.968 0 50 DFAA O=C(NCCc1ccccc1F)c1cn(C2CCCCC2)nn1 15069486 NIRCUPUPMDDVGV-UHFFFAOYSA-N 316.380 2.895 0 50 DFAA O=C(Cc1ccccc1F)N1CCN(Cc2ccccc2)CC1 16580698 MGHRLZJPZJTGRL-UHFFFAOYSA-N 312.388 2.713 0 50 DFAA COc1cc2c(cc1CNC(=O)c1oc(C)nc1C)O[C@H](C)C2 156354367 HQBDKQJOHZSWGF-SECBINFHSA-N 316.357 2.553 0 50 DFAA C[C@H](Cn1cncn1)n1ccnc1-c1ccc2ncccc2c1 1857696394 YNVCCLPJECVZPN-CYBMUJFWSA-N 304.357 2.951 0 50 DFAA Cc1c(Cl)cccc1NC(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857710417 WHWRCLFHFAAFLS-WXHSDQCUSA-N 323.824 2.632 0 50 DFAA O=C(c1ccc(Cl)s1)N1CCC[C@H](c2nnc(O)o2)C1 407996070 KNRSENAKRAOOGT-ZETCQYMHSA-N 313.766 2.510 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N=c1ccnc2n(C)[nH]cc1-2 606443917 BZAMNSZFUQYTOL-UHFFFAOYSA-N 300.749 2.556 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473761 UGQKXGAQBUGKBF-CJNGLKHVSA-N 315.417 2.737 0 50 DFAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC12COC2 615933895 GVJBQENBADLILD-UHFFFAOYSA-N 318.760 2.918 0 50 DFAA Nc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1 3861517 KRVRUAYUNOQMOV-UHFFFAOYSA-N 305.381 2.717 0 50 DFAA in-vitro O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)[C@H]1CCCCO1 331062171 CPSUZYVIUXKAMP-NWDGAFQWSA-N 318.200 2.712 0 50 DFAA CC(C)n1nnnc1-c1ccc(NC2CCN(C)CC2)cc1F 127032520 SJAFRIRCFNQQGQ-UHFFFAOYSA-N 318.400 2.566 0 50 DFAA O=C(N[C@H]1CCCOc2ccccc21)c1cc2n(n1)CCCC2 333606775 WBSQNTVYKHEGLG-HNNXBMFYSA-N 311.385 2.863 0 50 DFAA Cn1ncc2c1CCCN(C(=O)NCc1cccc(Cl)c1)C2 334034836 NAHJKMNPBNHJMJ-UHFFFAOYSA-N 318.808 2.732 0 50 DFAA O=C(N1CCC(CO)CC1)C1(Cc2cccc(Cl)c2)CC1 450255735 CRZRHDVWMAZQHX-UHFFFAOYSA-N 307.821 2.894 0 50 DFAA CCOc1nc(C)ccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 252484287 FTPXRILKAYJZCD-UHFFFAOYSA-N 311.341 2.536 0 50 DFAA Cc1ccccc1[C@@H](NS(=O)(=O)C[C@H]1CCCCO1)C1CC1 264832537 GPVQLHSTHNMSHX-WBVHZDCISA-N 323.458 2.935 0 50 DFAA CCCc1ccccc1C(=O)N1CCn2c(CC3CC3)nnc2C1 823875352 IEQMNSSAMLOGNQ-UHFFFAOYSA-N 324.428 2.839 0 50 DFAA COc1cc(O)ncc1C(=O)N[C@H](C)Cc1ccc(F)cc1C 824764126 KRXJDLCTPUWEGZ-LLVKDONJSA-N 318.348 2.604 0 50 DFAA Cc1c(C(F)(F)F)n[nH]c1CNC[C@@H]1Cc2ccccc2O1 1875285800 ZTSRZFPYUYRYJL-NSHDSACASA-N 311.307 2.830 0 50 DFAA COc1cc(C)cc(C)c1[C@@H](C)NC(=O)NC[C@@]12COC[C@@H]1C2 1875300632 LICTYTWEXYNWEL-GLJUWKHASA-N 318.417 2.709 0 50 DFAA COC(=O)C(C)(C)c1cccc(OC[C@@H]2C[N@@]2CC2CC2)c1 1875384619 HGBIEERQRDPSTI-HNAYVOBHSA-N 303.402 2.610 0 50 DFAA N=c1ccc(CCCNCc2ccc(-c3ccccn3)nc2)c[nH]1 1875325981 IZZRVYUDGDZJGH-UHFFFAOYSA-N 319.412 2.674 0 50 DFAA Cc1n[nH]cc1-c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C 1875308057 QXSKDXRKYFRWIJ-VHRBIJSZSA-N 300.410 2.529 0 50 DFAA COc1ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)nc1 894092550 SHWKZCASUOWONP-UHFFFAOYSA-N 312.373 2.534 0 50 DFAA CCC[C@@H](C)C(=O)N1CCN(Cc2ccc(Cl)cn2)CC1 1775988566 XOCIYIPKHJEPKU-CYBMUJFWSA-N 309.841 2.815 0 50 DFAA CN(CCc1ccncc1)C(=O)CCc1ccc(N(C)C)cc1 41531189 ZPULIYCGVDJEIH-UHFFFAOYSA-N 311.429 2.781 0 50 DFAA CCCC[C@@](C)(CO)NC(=O)Nc1c[nH]c2nccc-2c1C 2325781808 PGPCHBKSZDRTSH-INIZCTEOSA-N 304.394 2.886 0 50 DFAA COc1cc2c(NC3C[C@H]4COC[C@@H]4C3)ncnc2cc1F 2325784258 MPUMXTBRGRFKNV-UWVGGRQHSA-N 303.337 2.614 0 50 DFAA COc1ccccc1N1C(=O)C[C@H](Nc2ccc(F)cc2)C1=O 46722 PFQJEVAXESZPMX-ZDUSSCGKSA-N 314.316 2.578 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1 208030 HNIUKFIRRIOZDD-GFCCVEGCSA-N 310.806 2.696 0 50 DFAA CCOc1ccc(OCC)c(S(=O)(=O)Nc2cccnc2)c1 469277 UYKUEEOZLGUFQX-UHFFFAOYSA-N 322.386 2.680 0 50 DFAA COCc1nc(-c2ccc([C@H](C)N3CCCC3)cc2)nn1C 2356156403 ZVLNESVOMMVBAO-ZDUSSCGKSA-N 300.406 2.785 0 50 DFAA Cc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1 6715668 ZJIZMTWKSKLDBR-UHFFFAOYSA-N 322.455 2.567 0 50 DFAA Cc1ccc2cc(C(=O)NCC3([S@@](C)=O)CCC3)[nH]c2c1 225499656 QFXWPNZXMAKJQO-OAQYLSRUSA-N 304.415 2.507 0 50 DFAA Cc1ccccc1OCC(=O)Nc1ccnn1Cc1ccco1 28580775 ULACOCOMPCSCNR-UHFFFAOYSA-N 311.341 2.850 0 50 DFAA COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 9426025 GVUUAFLOMPJQRJ-UHFFFAOYSA-N 309.362 2.801 0 50 DFAA Cc1cc(S[C@H](C)C(=O)N2CCOCC2)nc2ccccc12 9593790 KNQZYJMTPPXBGE-CYBMUJFWSA-N 316.426 2.883 0 50 DFAA CCc1nn(-c2ccccc2)c(NC(=O)c2cnccn2)c1C 55403909 NHNHIUJDAYBWLI-UHFFFAOYSA-N 307.357 2.785 0 50 DFAA CO[C@@H](CC(C)C)CN1CCC(NC(=O)c2ccoc2C)CC1 419184461 FWLKNSFYRLVECR-INIZCTEOSA-N 322.449 2.843 0 50 DFAA CCC(=O)Nc1ccc(NC(=O)c2cc(C)n[nH]2)cc1Cl 55357820 JWAQGYXQURHQDR-UHFFFAOYSA-N 306.753 2.972 0 50 DFAA CC(C)CN(Cc1ccccn1)C(=O)[C@@H](N)Cc1ccccc1 55343884 COSALQNWANXGJT-SFHVURJKSA-N 311.429 2.636 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(F)c(F)c1 2385867 XZGBRONJONQTTA-SNVBAGLBSA-N 315.316 2.875 0 50 DFAA CC[C@H](NC(=O)N1C[C@H](F)C[C@@H]1CO)c1ccc(F)cc1F 347317702 VLLVTEIYQYLMQE-GYSYKLTISA-N 316.323 2.530 0 50 DFAA Cc1nc(C(=O)N2CC(Oc3c(C)cccc3C)C2)cs1 65387516 BUKIUWYVNNPRMB-UHFFFAOYSA-N 302.399 2.972 0 50 DFAA COCC1(C(=O)N2CCCC[C@H]2CCn2ccnc2C)CCC1 65380364 XHPCMGCUVWQWIH-INIZCTEOSA-N 319.449 2.779 0 50 DFAA CCCn1cc(NC[C@@]2(c3ccc(F)cc3)CCOC2)nn1 20236142 IYDHKDSCGSMCSD-INIZCTEOSA-N 304.369 2.597 0 50 DFAA CCOc1ccccc1NC(=O)CNC(=O)C1CCCCC1 65361830 QKCDPPTXBLBHIO-UHFFFAOYSA-N 304.390 2.720 0 50 DFAA CCCc1cc(CNC(=O)c2ccc(NC3CC3)nc2)on1 20206008 NTNPGFNETJHXQD-UHFFFAOYSA-N 300.362 2.526 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 229518586 LNXUBVLGXJNCPG-XYJFISCASA-N 316.445 2.709 0 50 DFAA C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(Cl)nc(N)n2)C1 229766801 TUZQRVHTIXASSK-WCQYABFASA-N 317.824 2.960 0 50 DFAA O=C(Nc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 143015592 LPXFAXJFJXFVCL-UHFFFAOYSA-N 310.762 2.850 0 50 DFAA O=C(c1cc[nH]c1)N1CCN(c2nc3ccccc3s2)CC1 171916938 KUKLJYHYHRVBNX-UHFFFAOYSA-N 312.398 2.587 0 50 DFAA O=C(O)C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccccc1 405064723 RKRYBZGFOOYCCD-GFCCVEGCSA-N 312.316 2.643 0 50 DFAA CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@@H](C)C[C@H]2C)n1 252487157 SVTOMISQQWVRNT-MGPQQGTHSA-N 313.467 2.554 0 50 DFAA COC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1ccco1 252504417 AZEKADASVLXEAB-NFAWXSAZSA-N 311.337 2.514 0 50 DFAA CCc1ncnc(N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)c1F 328617194 CKYUZGHLUWZLSO-DZGCQCFKSA-N 319.384 2.727 0 50 DFAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(O)cc1C(=O)O 4823243 PBJWIEFPMHJOJX-UHFFFAOYSA-N 305.717 2.925 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCO[C@@H]1c1ccccc1 132086882 KZCLFEBYLLCJAZ-XNJJOIOASA-N 313.401 2.776 0 50 DFAA COCC1(C(=O)N2CCC(c3ccncc3)CC2)CCCC1 457756103 KPQGMPYMJOSWKN-UHFFFAOYSA-N 302.418 2.994 0 50 DFAA C[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 14210706 DSGKAJVCKSPOJC-SECBINFHSA-N 311.384 2.516 0 50 DFAA Cc1ccc2cccc(C(=O)N3C[C@@H](C)C[C@@H](C(=O)O)C3)c2n1 263104781 BFXXSEARGNFPGG-SMDDNHRTSA-N 312.369 2.726 0 50 DFAA Cc1cccc(C)c1OCCNC(=O)Cc1c[nH]c2ncccc12 156039748 YPBOSRZKZADTIY-UHFFFAOYSA-N 323.396 2.917 0 50 DFAA CSc1nc(C(=O)N(C)CCc2scnc2C)cs1 216360093 OWISVDYWLAOOIL-UHFFFAOYSA-N 313.473 2.945 0 50 DFAA CCc1cccc(OC2CN(C(=O)c3c(Cl)cnn3C)C2)c1 216163325 LIYSCBCGMYKARX-UHFFFAOYSA-N 319.792 2.539 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccncc1Cl)CC2 245446496 LDTZJLHUBVPLMR-STQMWFEESA-N 307.825 2.822 0 50 DFAA Cc1cccc(OCCN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)c1 284818217 ODPMDEKKIAJMQK-QRVBRYPASA-N 319.445 2.626 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286070088 CKDZVRGJXXMUQI-BMFZPTHFSA-N 323.820 2.650 0 50 DFAA C[C@@H]1C[C@H](N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)C(=O)O1 222189879 JWUNOJICDCZVSR-GRYCIOLGSA-N 324.446 2.518 0 50 DFAA CN1CC[C@@H](NCc2ccc(C(=O)O)cc2)[C@@H]1c1ccccc1 263563222 DFCKPTFUNSQGHY-MSOLQXFVSA-N 310.397 2.920 0 50 DFAA CCNC(=O)c1ccnc(CC[C@@H]2COc3ccccc3O2)c1 220227834 MFJNUBWSUDWHGS-OAHLLOKOSA-N 312.369 2.604 0 50 DFAA C/C=C(\C)CN1CC[C@@H](N2CCCC2)[C@@H](CCC(=O)OC)C1 20109944 CCCDXKPGWQWNBC-IVAOMHDMSA-N 308.466 2.692 0 50 DFAA CCOc1ccc(-c2nn(CN3CCOCC3)c(=S)o2)cc1 20131180 MUCHFRTUVCOWOW-UHFFFAOYSA-N 321.402 2.561 0 50 DFAA CCCn1cc(NC(=O)NCCCc2nc(C)c(C)s2)nn1 95499265 NMLIQPLQVQTYML-UHFFFAOYSA-N 322.438 2.516 0 50 DFAA CC[C@H](C(=O)NCc1coc(-c2ccccc2)n1)n1cccn1 91381488 SPOPZAISBQBHGP-OAHLLOKOSA-N 310.357 2.806 0 50 DFAA O=C(Nc1ncccc1OC(F)F)c1cnc2n1CCCCC2 621852821 KVFNABWWXVDQEM-UHFFFAOYSA-N 322.315 2.858 0 50 DFAA CC[C@@H](NC(=O)c1nn(C)c2c1CCCC2)c1nccs1 449909133 YMTZXWKIXVQWIY-LLVKDONJSA-N 304.419 2.637 0 50 DFAA CC(=O)c1cc(CC(=O)Nc2nc(C)n(C(C)C)n2)cs1 1940195445 DDDRXOBCRVLLPW-UHFFFAOYSA-N 306.391 2.613 0 50 DFAA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)oc1C 1337320056 OQGYNUJRZYNHMY-KRWDZBQOSA-N 322.368 2.802 0 50 DFAA Cc1cc(-n2cccn2)ccc1CNCc1cccc(CO)c1 952992302 ZGYQISGSAOHRSC-UHFFFAOYSA-N 307.397 2.963 0 50 DFAA CCc1ccccc1OCCN1C[C@H](C(C)C)[C@@H](NC(C)=O)C1 1565527983 DLZGLCXBWJCKQM-MSOLQXFVSA-N 318.461 2.720 0 50 DFAA CCn1ccc(CN[C@@H]2CCCN(Cc3cccs3)C2)n1 952869868 NTXVFHRGHLAHTL-OAHLLOKOSA-N 304.463 2.719 0 50 DFAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H](N)c3ccccc3)cn2)n1 170599550 YUWWRAAATVEXIK-QGZVFWFLSA-N 321.384 2.523 0 50 DFAA CNC(=O)CCCC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 170602343 WUQLEFWSICQIBX-HIFRSBDPSA-N 300.402 2.584 0 50 DFAA COc1ccc(/C=C(\C)CN2CCC[C@@H](CNC(C)=O)C2)cc1 222066010 GHITVWGILXOKTR-OTMARIDSSA-N 316.445 2.947 0 50 DFAA Cc1cc(NC(=O)c2ncoc2C2CC2)nn1[C@@H](C)C1CC1 645974782 FCWQOZRDTYQOHD-JTQLQIEISA-N 300.362 3.280 0 50 DFAA O=C(CCc1ccncn1)N1CC[C@H](Cc2ccc(F)cc2)C1 192361122 OWVKAXRODXTJFV-OAHLLOKOSA-N 313.376 2.640 0 50 DFAA CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1cccc(O)c1)CC2 194946539 GVQZKOOIXIDZHM-GXTWGEPZSA-N 300.406 2.773 0 50 DFAA CC(C)N(C)c1cccc(NC(=O)NC[C@H]2C[C@@H](N(C)C)C2)c1 653987075 ZSBQUDIKFLCOFL-KDYLLFBJSA-N 318.465 2.993 0 50 DFAA CNC[C@@H]1CCCN(C(=O)/C=C(\C)c2ccc(F)cc2F)C1 585086628 LMFKEDCOKVMGDU-RPHSKFLZSA-N 308.372 2.826 0 50 DFAA CC[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2csnn2)cc1 795433525 BKYVFYOGSZZVSZ-OCCSQVGLSA-N 303.387 2.959 0 50 DFAA Cc1ccccc1CC(=O)N1CCn2ncc(Br)c21 1616043376 ZUHOLAGCICLRCI-UHFFFAOYSA-N 320.190 2.543 0 50 DFAA COC(=O)c1ccccc1OCCCCN1C[C@H](C)O[C@H](C)C1 13153597 OSIHLTHKUWUVDN-GASCZTMLSA-N 321.417 2.741 0 50 DFAA Cc1ccccc1OCC(=O)Nc1nnc(C(F)(F)F)s1 13746658 ZYEXIHOWQTXHDO-UHFFFAOYSA-N 317.292 2.883 0 50 DFAA CCN(CC)c1ncccc1CNC(=O)Cc1cccs1 15063797 IKCNKSUYVBJGQI-UHFFFAOYSA-N 303.431 2.848 0 50 DFAA CCN1CCN(C(=O)[C@H](C)Oc2ccccc2C(C)C)CC1 16580743 OWOCSXVXYVESHJ-HNNXBMFYSA-N 304.434 2.741 0 50 DFAA Cc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1 19773704 ZZKXJRVEIPMZLG-UHFFFAOYSA-N 308.425 2.882 0 50 DFAA COc1c(C)[nH]ccc1=NC(=O)c1cc(-c2ccccc2)no1 1875249572 CVLJQEAXODACDJ-UHFFFAOYSA-N 309.325 2.728 0 50 DFAA COc1nc2ccccc2cc1-c1ccc(-c2n[nH]c(=N)[nH]2)o1 1875250934 DCCQWGPGGZYNOB-UHFFFAOYSA-N 307.313 2.701 0 50 DFAA COc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)nc1 361860198 VUHHFTPCAUIUAE-CYBMUJFWSA-N 311.385 2.823 0 50 DFAA CC(C)Oc1ccc(-c2noc(C(N)=O)n2)c(C(F)(F)F)c1 904000075 MKENGNSKDMDGLX-UHFFFAOYSA-N 315.251 2.642 0 50 DFAA O=C(Nc1cnn(C2CCC2)c1)Nc1cccc2c1CCNC2 904507282 VUFRSEMSOSEHPE-UHFFFAOYSA-N 311.389 2.898 0 50 DFAA CC1(C)CCC[C@@H](CNC(=O)Cn2cc3ccccc3n2)O1 890132770 QINNHVLEMOFTIZ-AWEZNQCLSA-N 301.390 2.500 0 50 DFAA CC(=O)NCC1CCN(c2ccc3cc(Cl)cnc3n2)CC1 891983461 XYTUGVSYULQWGV-UHFFFAOYSA-N 318.808 2.636 0 50 DFAA C[C@H]1C[C@@H](C(=O)Nc2c(O)ccc(Br)c2F)CO1 1776005449 FMCBFQGXYNZWOF-NKWVEPMBSA-N 318.142 2.657 0 50 DFAA Cc1ncc(CCNC(=O)[C@H](C)c2cn(C)c3ccccc23)[nH]1 2325802128 JSQRKHSOVOSDEM-GFCCVEGCSA-N 310.401 2.672 0 50 DFAA CSC[C@H](C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 245635852 CCFRUDWYHPXVMX-FZZIBODNSA-N 315.385 2.910 0 50 DFAA COc1ccc(-c2nnn(Cc3cccc(F)c3)n2)cc1OC 184768 OBEHBTZUBHOKQB-UHFFFAOYSA-N 314.320 2.545 0 50 DFAA COC(=O)c1ccc(OCc2cc(C(=O)OC)oc2C)cc1 446290 FHFFTHWZILJBAW-UHFFFAOYSA-N 304.298 2.740 0 50 DFAA Cc1cc(C)c2c(c1)NC(=O)[C@]2(O)CC(=O)c1cccs1 565335 NDNYEMCSGWHEIG-INIZCTEOSA-N 301.367 2.778 0 50 DFAA CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1C=O 612632 SYJNEUOJPGCSMY-MRVPVSSYSA-N 301.136 2.592 0 50 DFAA COc1ccccc1NC(=O)COc1ccc(CO)cc1Cl 1079295 GAAREPHHNDVEFS-UHFFFAOYSA-N 321.760 2.858 0 50 DFAA CSCC[C@@H](NC1=NC(C)(C)Cc2ccccc21)C(=O)O 4023672 ZMGKDFXVKGOIRI-CYBMUJFWSA-N 306.431 2.564 0 50 DFAA biogenic CCn1c(C)nnc1SCC(=O)Nc1ccc(F)cc1F 4736020 DXBYRPFRPSGIBB-UHFFFAOYSA-N 312.345 2.615 0 50 DFAA Cc1ccccc1N1C[C@H](C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1=O 4975550 KWNZVABICVIOKB-IJEWVQPXSA-N 314.429 2.852 0 50 DFAA CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC[C@]1(C)C(=O)O 4990363 CJJSEBJKIPJYCU-SJKOYZFVSA-N 319.357 2.850 0 50 DFAA COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)cc1 6742356 HPGRWBJTBAWPBQ-FWFPMQDGSA-N 303.358 2.771 0 50 DFAA Nc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncccc12 10010707 KXDCCZXRXZICTH-UHFFFAOYSA-N 313.338 2.860 0 50 DFAA COCCN(C[C@@H]1CCCO1)c1nc(C)nc2sccc12 55357755 ATKRKNHWKGDEIO-LBPRGKRZSA-N 307.419 2.632 0 50 DFAA CC(C)CCN1CCN(C/C=C/c2ccco2)C[C@@H]1CCO 22932720 IOYNWBYOMNRSSR-RCFWFJCLSA-N 306.450 2.708 0 50 DFAA CC(C)CN1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO 105626967 ZXUSSXFJJZCVCW-GOSISDBHSA-N 315.461 2.693 0 50 DFAA CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccnn1C 65465913 VPRZPQVHOKSRTD-MRXNPFEDSA-N 323.400 2.546 0 50 DFAA Cc1oc(-c2cccc(Cl)c2)nc1CN(C)CCC(N)=O 67678901 AYODLLGLMVSZHU-UHFFFAOYSA-N 307.781 2.611 0 50 DFAA COc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1C 67946345 IFSQIURGZNTPFK-UHFFFAOYSA-N 306.329 2.523 0 50 DFAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)N1CCc2ccccc21 252477294 LNTOPIGMSWATLK-RQVMVGKASA-N 320.458 2.839 0 50 DFAA CC[C@@H](C)N(C)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 172080448 WTJYLJRCMJELEK-UKRRQHHQSA-N 303.406 2.622 0 50 DFAA CC(=O)c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 119587952 RIXCISVJMJBIDV-UHFFFAOYSA-N 307.733 2.831 0 50 DFAA CCCNc1ncc(CN2CC(Oc3cccc(C)c3)C2)cn1 72166305 KSBWVCMKZRVCLN-UHFFFAOYSA-N 312.417 2.870 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ncccc3O)cc2)c1C 360931190 MLOUTSYVBKQVBM-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA Cc1ccc(-c2ocnc2C(=O)N2CCOCC[C@@H]2C)cc1 362034328 ASRNIOFAERKYBC-ZDUSSCGKSA-N 300.358 2.901 0 50 DFAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC2(CCCO2)CC1 71776649 UWUJIUYPCKJPLF-UHFFFAOYSA-N 311.385 2.862 0 50 DFAA Cc1nc([C@H](C)N(C)C(=O)CCc2csc(N)n2)c(C)s1 77422149 VUOUCGAETMCDPN-QMMMGPOBSA-N 324.475 2.951 0 50 DFAA CN(Cc1ccc(-n2ccnc2)cc1)Cc1n[nH]c2c1CCC2 215448566 RLUDGZJWAXKTSF-UHFFFAOYSA-N 307.401 2.716 0 50 DFAA COc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33088753 OKKVSZRNBMFTBA-UHFFFAOYSA-N 320.348 2.819 0 50 DFAA COc1csc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)c1 262070988 CVXQAUKVZMKSEH-UHFFFAOYSA-N 309.343 2.629 0 50 DFAA Cc1ccc(CN2CCC(N3CCC(O)CC3)CC2)c(C)c1F 72425616 YGBGTFCZMTWEFK-UHFFFAOYSA-N 320.452 2.864 0 50 DFAA Cn1c(CN2CCCC[C@@H]2C(=O)O)nc2cc(Cl)ccc21 158355953 LQARWCUWYPKEBF-CYBMUJFWSA-N 307.781 2.666 0 50 DFAA CC(C)c1nc(N(C)CCC2CCOCC2)c2cnn(C)c2n1 72169135 DBJDRNGPGAJJPQ-UHFFFAOYSA-N 317.437 2.740 0 50 DFAA C[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@]2(CCO[C@H](C)C2)O1 451387605 DYNDTFWUDSIIHY-WQGACYEGSA-N 324.808 2.534 0 50 DFAA CC[C@@H](c1ccccc1OC)N(C)C(=O)Cc1cn(C)nc1C 451788472 URLOZESJJMPDKJ-INIZCTEOSA-N 315.417 2.889 0 50 DFAA C/C(=C\c1ccccc1)CN1CCN(C)[C@@H](c2nc(C)no2)C1 285600656 UPKCUFMFQKIHKL-GWKQRERASA-N 312.417 2.770 0 50 DFAA O=C1CCC[C@@H](Cc2nc(Cc3ccc(Cl)cc3)no2)N1 289630825 ISEGBWJPABWPAK-LBPRGKRZSA-N 305.765 2.525 0 50 DFAA CNC1(CNC(=O)Nc2cccc3c(OC)nccc23)CCC1 1365508024 SHVHZTQEFZTDJX-UHFFFAOYSA-N 314.389 2.507 0 50 DFAA CCC[C@]1(CO)CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 91943036 FBEZMJNXKZMANU-IBGZPJMESA-N 318.461 2.696 0 50 DFAA O=C(NC[C@H](O)C1CCCCC1)c1ncccc1C(F)(F)F 180404698 JUBCUOGGKHAXJP-LBPRGKRZSA-N 316.323 2.771 0 50 DFAA COc1ccc2c(c1)[C@@H](c1nc(-c3ccncc3)no1)CC(=O)N2 96154121 DRYGVVLPLMZEOK-ZDUSSCGKSA-N 322.324 2.614 0 50 DFAA Cc1ccc(C2(O)CCN(CCc3csc(C)n3)CC2)nc1 244817161 SVHCHIGGECLYOI-UHFFFAOYSA-N 317.458 2.681 0 50 DFAA CCc1c(-c2ccc(C(=O)NCC(F)(F)F)cc2)cnn1C 534635094 XGHKHQZKQVUQRZ-UHFFFAOYSA-N 311.307 2.942 0 50 DFAA Cc1ccc2nc(C3CCN(Cc4nonc4C)CC3)[nH]c2c1 670438657 GASRZTJFRQKVIZ-UHFFFAOYSA-N 311.389 2.942 0 50 DFAA Cc1ncn(CCNC(=O)Cc2ccc(F)cc2Cl)c1C 670463592 ALXMASGOTVRVMQ-UHFFFAOYSA-N 309.772 2.651 0 50 DFAA COCC(=O)Nc1cc(NC(=O)[C@@H]2CC=CCC2)ccc1OC 952973134 MTSHWXKNDYCGJB-GFCCVEGCSA-N 318.373 2.575 0 50 DFAA O=C(NC[C@@H]1CCCO1)c1ccc(OCc2ccccc2)cn1 630392575 AHSNXALLDISHIQ-HNNXBMFYSA-N 312.369 2.569 0 50 DFAA CCCCc1nnc(NC(=O)N2CC=C(COC)CC2)s1 185794150 HFGTZWXHZORMBU-UHFFFAOYSA-N 310.423 2.691 0 50 DFAA CN(C)c1noc(COC(=O)/C=C/c2ccc(Cl)cc2)n1 170609354 PYURAIUBPGPIPW-VMPITWQZSA-N 307.737 2.546 0 50 DFAA CCc1cc(C(=O)Nc2cccc(NC(C)=O)c2C)n(C)n1 635215701 UVQJANSYQGODCG-UHFFFAOYSA-N 300.362 2.502 0 50 DFAA CN1C[C@@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1=O 191324034 YNKUHZKANOPDCB-LURJTMIESA-N 305.136 2.549 0 50 DFAA Cn1cncc1CN1CCc2cc(Br)ccc2C1 191613438 XNOSNYPOIALFTO-UHFFFAOYSA-N 306.207 2.741 0 50 DFAA COc1ccc(O[C@H](C)CNc2ncnc3onc(C)c23)cc1 192468637 AETCCJUOKOLZKM-SNVBAGLBSA-N 314.345 2.814 0 50 DFAA CCn1cc(CC(=O)N[C@@H]2CCCN(C)c3ccccc32)cn1 654196488 PQSBNCNRRHXUQI-MRXNPFEDSA-N 312.417 2.533 0 50 DFAA CCn1nccc1-c1cn([C@@H]2CCN(Cc3ccccc3)C2)nn1 656455949 QAGGZECGJPVLIY-MRXNPFEDSA-N 322.416 2.609 0 50 DFAA O=C(O)c1ccccc1CN1CCO[C@H](CC(F)(F)F)C1 659805624 WLURLKWXRADPOM-LLVKDONJSA-N 303.280 2.538 0 50 DFAA CCc1nsc(N2CCCN([C@@H](C)c3ncc(C)o3)CC2)n1 678461329 FYCHDHKRHZLXGO-LBPRGKRZSA-N 321.450 2.670 0 50 DFAA O=C(NCc1cccs1)[C@@H]1CCCN(Cc2ccccn2)C1 585135336 CIAZALGMSLUJIA-CQSZACIVSA-N 315.442 2.672 0 50 DFAA CON(C(=O)/C=C/c1nc2ccccc2s1)[C@H](C)CC(=O)O 1615587559 HHIXCKVBKSWKOB-QROSGCPLSA-N 320.370 2.563 0 50 DFAA Cc1c(CS(C)(=O)=O)cccc1NC[C@@]1(C)CCCCO1 1616034390 JWEHRJMNVIZRLN-MRXNPFEDSA-N 311.447 2.911 0 50 DFAA CC(=O)c1ccc(N2CCC[C@H](C(=O)c3ccccn3)C2)nc1 1506421520 IVZZLFMIJIKBGU-HNNXBMFYSA-N 309.369 2.779 0 50 DFAA O[C@H]1CN(Cc2cnc[nH]2)CC[C@@H]1c1ccc2ccccc2c1 212726531 QRVWOBIMXWAYKI-MOPGFXCFSA-N 307.397 2.913 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1(C)C 110608725 SEHJREWRDBTSEB-BPLDGKMQSA-N 305.422 2.988 0 50 DFAA Cc1cc(C(=O)O)c(N2CCC[C@@]3(CCC[C@H]3O)C2)nc1C 1704331064 NSYDUXNFZALVGO-PBHICJAKSA-N 304.390 2.528 0 50 DFAA Cc1ccc2[nH]c(CN3C[C@@H]4COCC[C@]4(CO)C3)c(C)c2c1 1772711716 WHJZUPPDCKCCCE-DNVCBOLYSA-N 314.429 2.616 0 50 DFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)C2CCC2)CC3)c1 11818935 GURAWYMLYGTUFJ-UHFFFAOYSA-N 311.385 2.770 0 50 DFAA CCCC[C@@H]1CN(c2cc(C(=O)OC)ncn2)C[C@H](C(C)C)O1 1857721044 XAZUVAOTBGWDLF-UKRRQHHQSA-N 321.421 2.683 0 50 DFAA CC1(C)[C@H]2CN(C(=O)NCC[C@H]3COc4ccccc4O3)C[C@H]21 332964662 QHEJRSCTALLBEX-MELADBBJSA-N 316.401 2.514 0 50 DFAA O=C(c1ccc2c(n1)CCCC2)N1CC[C@@H](Oc2ccccn2)C1 333054214 HKWQIFJZOHKNJE-OAHLLOKOSA-N 323.396 2.649 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 237954859 HXZZCCMBNRGWCO-UWVGGRQHSA-N 313.275 2.542 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(OCC2CC2)cc1 136480064 PZURUZYQIIDNJE-OAHLLOKOSA-N 303.358 2.555 0 50 DFAA CCCN(C(=O)[C@@H](C)N1Cc2ccccc2C1=O)c1cccnc1 906922991 ZKUBXQPJEGEMAB-CQSZACIVSA-N 323.396 2.869 0 50 DFAA CC(C)[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 928184592 ZREUVDSRFQJBLN-SZMVWBNQSA-N 300.446 2.979 0 50 DFAA COc1ccc2c(c1)C[C@H](CN1CCC(c3ncc[nH]3)CC1)O2 929803182 CVKAZNPGZPOYQK-MRXNPFEDSA-N 313.401 2.601 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1nncc2ccccc12 935123917 JYOPPLNLWKYWOG-HNNXBMFYSA-N 321.384 2.947 0 50 DFAA CO[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 935670435 AZNCCTYLSLEHEH-HZPDHXFCSA-N 311.385 2.860 0 50 DFAA O=C(O)[C@H](CNCc1ccc(Cl)c(F)c1)C1CCOCC1 863743570 OLGAGFCNKYGGQY-GFCCVEGCSA-N 315.772 2.696 0 50 DFAA COc1ccc2c(c1)CN(c1cc(C)nc3nc(C)nn13)[C@@H](C)C2 1875275852 AGENSBCPGIDFGI-LBPRGKRZSA-N 323.400 2.701 0 50 DFAA CC[C@@H](NCCc1cccnc1)[C@@H](C)NC(=O)OC(C)(C)C 1875274010 WOESVJWTYYLMOF-UKRRQHHQSA-N 307.438 2.906 0 50 DFAA Cn1cnc2cc(CN=c3[nH]c(Cl)nc4[nH]ccc34)ccc21 1875319045 OXFMEEGOXOJHOI-UHFFFAOYSA-N 312.764 2.532 0 50 DFAA CC[C@@H](CN(C=O)Cc1n[nH]c(C)c1C)Oc1cccc(F)c1 1875324790 BGQARZHIQIBBGR-HNNXBMFYSA-N 319.380 2.982 0 50 DFAA C=CC(=O)N(Cc1cc(F)ccc1C)[C@H]1CCN(C(C)C)C1=O 1875381723 FOJHGRWPRDKZLZ-INIZCTEOSA-N 318.392 2.658 0 50 DFAA CC(C)(C(=O)NS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 1875390207 KQXBBJAEBJRHRD-UHFFFAOYSA-N 317.410 2.707 0 50 DFAA O=C(C[C@]12CCC[C@H]1C2)N[C@H]1CNCC[C@H]1c1ccc(F)cc1 1875404831 XLFIGAAZZDRANT-PCODUJHASA-N 316.420 2.968 0 50 DFAA Cn1nccc1Cc1nnc([C@@H]2CCCO[C@H]2C(C)(C)C)o1 886095135 MBXJOGAKSOGJNZ-TZMCWYRMSA-N 304.394 2.703 0 50 DFAA c1ccc2nc(NCc3nnc([C@H]4CCCOC4)o3)cnc2c1 886079214 MMQMWDHIDHYCCG-NSHDSACASA-N 311.345 2.519 0 50 DFAA CC(C)c1nccc(NCCc2nc[nH]c2Br)n1 1775985372 DHDZXOMQZOFOIP-UHFFFAOYSA-N 310.199 2.740 0 50 DFAA CCN(CCc1nccs1)C(=O)c1ccc(C(=O)O)s1 262801765 OIQDVEDYHFGAHE-UHFFFAOYSA-N 310.400 2.608 0 50 DFAA COc1ccc(-n2cc(CN[C@@H]3CCCc4n[nH]cc43)cn2)cc1 2325805888 BMEFBAYUQPYREM-QGZVFWFLSA-N 323.400 2.771 0 50 DFAA O=C(Nc1nnc(S)s1)c1ccccc1Br 1857800284 LDPGISCLMKHXFW-UHFFFAOYSA-N 316.205 2.842 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)CCCC2 459312 RKYXFMPAFKYDED-HXUWFJFHSA-N 321.376 2.978 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(c3ncnc4ccc(C)nc34)C[C@H]21 2356156328 WLCKNKCFBUXJEH-IYOUNJFTSA-N 312.417 2.711 0 50 DFAA CN(Cc1ccc([S@](C)=O)cc1)[C@H]1Cc2ccccc2[C@@H]1O 245869958 RFFNCVVYNRELJF-SPEDKVCISA-N 315.438 2.514 0 50 DFAA COc1ccc(-c2noc([C@@H](C)NC(=O)c3cccnc3)n2)cc1 4998230 WMJHWTJHQDMLOL-LLVKDONJSA-N 324.340 2.631 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1cccc(F)c1)CC2 246135593 JDHBDKKNBMRTDY-IRXDYDNUSA-N 319.424 2.982 0 50 DFAA CCc1occc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 412828794 CSQXPQWQGYCKTJ-PBHICJAKSA-N 312.369 2.592 0 50 DFAA COc1cccc(-c2nnc3sc(-c4cc(C)on4)nn23)c1 9047200 BNLGYGSLCACFDN-UHFFFAOYSA-N 313.342 2.825 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 100590949 MVSCHMLRFDSBCT-UONOGXRCSA-N 304.777 2.882 0 50 DFAA O=c1nc(-c2ccccc2)c2cnn(Cc3ccccc3)c2[nH]1 22022972 VFXWMTBFQUDJNS-UHFFFAOYSA-N 302.337 2.835 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1 101127678 HOHCAYRASQLOKU-HKCMKHECSA-N 313.353 2.547 0 50 DFAA Cn1nnc2cc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)ccc21 67973874 IEVPTBFJQPVIIX-OAHLLOKOSA-N 310.332 2.695 0 50 DFAA C[C@H](NC(=O)[C@H]1CN(C)C(=O)c2ccccc21)c1ccccc1 345911117 SPNDCHYBMSUDFV-GUYCJALGSA-N 308.381 2.733 0 50 DFAA C[C@H]1CCCN(C(=O)CCN(C)Cc2cccnc2Cl)C1 65375967 OQEDGLRQIAIIFU-ZDUSSCGKSA-N 309.841 2.815 0 50 DFAA Cn1c(-c2nccn2CCCn2ccnc2)nc2ccccc21 67871964 OUIMZYVQMQQMGO-UHFFFAOYSA-N 306.373 2.724 0 50 DFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ccc[nH]1 67460192 WUBPDBZMHQXBSH-UHFFFAOYSA-N 320.396 2.976 0 50 DFAA O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1CCc1ccccc1 22607227 HPWUCXLIUCNQFX-SFHVURJKSA-N 320.392 2.881 0 50 DFAA biogenic CCC1=NO[C@H](CNCc2cc(C)c(OC(C)=O)c(C)c2)C1 65456921 CNELMTODZPASRQ-INIZCTEOSA-N 304.390 2.873 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)NCc2cnn(C)c2C)s1 119766025 LSMNEOYTMWALRL-UHFFFAOYSA-N 306.435 2.622 0 50 DFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C1(N2CCCC2)CCCC1 67541663 AJAZHBGVMJLWJU-UHFFFAOYSA-N 316.449 2.654 0 50 DFAA C[Si](C)(C)c1ccc(Cc2noc([C@H]3CCOC3)n2)cc1 252490145 KKFINFUROROZFH-ZDUSSCGKSA-N 302.450 2.710 0 50 DFAA CN(C)[C@H](CNC(=O)N1C[C@@H]2CC=CC[C@H]2C1)c1ccsc1 252676646 XRQRZAQLKBTFBR-OFQRWUPVSA-N 319.474 2.958 0 50 DFAA C=CC(=O)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 328598603 NMVZXMHTEBYCKV-JTQLQIEISA-N 324.306 2.640 0 50 DFAA CCc1nnc(CN2CCN(c3cccc(Cl)c3)C[C@H]2C)o1 328595967 LZLNDSURAONVTK-GFCCVEGCSA-N 320.824 2.996 0 50 DFAA Cc1c(S(=O)(=O)Nc2ccccc2C(F)(F)F)cnn1C 4594435 GXMIZTJYDNGHKQ-UHFFFAOYSA-N 319.308 2.548 0 50 DFAA O=C(CCC1CCNCC1)Nc1ccc(-c2csnn2)cc1 253418611 TUABZGHZHNVBQZ-UHFFFAOYSA-N 316.430 2.923 0 50 DFAA CCc1cc(-c2nccn2[C@@H](Cc2ccccc2)C(=O)O)on1 71748888 VXROHRCXUWWHCU-AWEZNQCLSA-N 311.341 2.969 0 50 DFAA O=C(NCc1ccccc1OCCO)c1cc[nH]c1C1CCC1 362929996 IUAYXAYFKYFOOD-UHFFFAOYSA-N 314.385 2.583 0 50 DFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCOC3(CCC3)C2)c1C 154226165 DGAPFNJCOYKEDA-KRWDZBQOSA-N 319.445 2.606 0 50 DFAA Cn1ccc2ccn(Cc3nc(C(F)(F)F)cs3)c(=O)c21 154344371 MKBLVAOQWUBNAM-UHFFFAOYSA-N 313.304 2.864 0 50 DFAA O=C(/C=C/c1cccc(O)c1)NCCC[C@H]1CCCC[C@@H]1O 156451536 GNGDFISDQVNCBF-ADEBZEFOSA-N 303.402 2.853 0 50 DFAA CCOC1CC2(CCN(C(=O)Nc3cc(C)n(C(C)C)n3)C2)C1 333562144 QTTHOAICIGSOHA-UHFFFAOYSA-N 320.437 3.195 0 50 DFAA O=C(Cc1ccco1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 283187466 FLPYPTXWJVYJDI-QGZVFWFLSA-N 319.788 2.994 0 50 DFAA S=C1NCN(CCc2ccccc2)CN1C1CCCCC1 17194007 BCOCNVVIORAKJD-UHFFFAOYSA-N 303.475 2.969 0 50 DFAA Cc1ccccc1-c1ccn(CC(=O)Nc2cnn(C(C)C)n2)n1 48416435 IKAOZVIKCKEJIL-UHFFFAOYSA-N 324.388 2.670 0 50 DFAA COCc1nc(C)c(CNC(=O)c2ccc(C(C)=O)s2)s1 222420019 RHYSQTDYXHKZNH-UHFFFAOYSA-N 324.427 2.792 0 50 DFAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(F)ccc2s1 179385966 FXKUNSDBIBHGJL-GFCCVEGCSA-N 320.389 2.781 0 50 DFAA CC(C)=CCN1C[C@@H]2CC[C@H](C1)N(Cc1c(C)noc1C)C2=O 95518670 FJUZJONJMKJNSE-JKSUJKDBSA-N 317.433 2.680 0 50 DFAA O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@H]1c1nc[nH]n1 181394901 ZVYMWHQSWAUFCC-ZDUSSCGKSA-N 324.306 2.518 0 50 DFAA CCc1cccc(NC(=O)CN2CCCC[C@H]2c2nc[nH]n2)c1 182762969 QIQMQCAKUABUAA-HNNXBMFYSA-N 313.405 2.533 0 50 DFAA O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCc2ccccc21 352754800 JWSXOPRWZHDPFS-HXUWFJFHSA-N 320.436 2.891 0 50 DFAA CC[C@@H](OC)C(=O)NCc1cnc(-c2ccccc2OC)s1 299756755 IQEQTTGKMZGKSQ-CYBMUJFWSA-N 320.414 2.860 0 50 DFAA Cc1cccc(SC2CCN(C(=O)Cn3cccn3)CC2)c1 584902743 MVBLCHIFLWKPAS-UHFFFAOYSA-N 315.442 2.975 0 50 DFAA Oc1nc(C2CC2)nc2c1CN(c1ccc(C(F)(F)F)cn1)C2 1363153958 HUVHINOXOOHFLT-UHFFFAOYSA-N 322.290 2.994 0 50 DFAA CO[C@H](CNC(=O)/C=C/c1cc(CO)cs1)c1cccs1 952864749 LMAZTCOLMNOQRJ-MUBLQREKSA-N 323.439 2.819 0 50 DFAA O=C([C@@H]1CCCOC1)N1CCC(Oc2cncc(Cl)c2)CC1 408517307 GLYZQGKBVTYNBT-GFCCVEGCSA-N 324.808 2.531 0 50 DFAA Cc1c[nH]cc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C 408520391 BXMYNWBSGNKQJW-CYBMUJFWSA-N 321.421 2.841 0 50 DFAA C[C@H](c1nccc(N)n1)N1CCc2[nH]c3ccc(F)cc3c2C1 408522572 BJHCSGNEFVPADA-SNVBAGLBSA-N 311.364 2.799 0 50 DFAA CCCc1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)no1 275986177 ONHFOENJFILMFU-AWEZNQCLSA-N 315.421 2.961 0 50 DFAA O=C1C[C@@]2(CCSC2)C(=O)N1Cc1cc(Cl)ccc1F 170604873 DMQTWMJQTUZRDB-CQSZACIVSA-N 313.781 2.861 0 50 DFAA CC(C)c1cc(C(=O)N[C@H]2CCOc3c(F)cccc32)nn1C 189003825 MVJLONDNHGOZKK-ZDUSSCGKSA-N 317.364 2.936 0 50 DFAA CC(C)[C@H](CNC(=O)N1CCC[C@H](CO)C1)Cc1ccccc1 191117153 GEDDXIXWNQNRIC-ROUUACIJSA-N 318.461 2.915 0 50 DFAA C[C@@]1(c2ccccc2)CN(C(=O)C(=O)c2ccccc2)CCO1 194406428 QNNNGLFQHXCDGG-IBGZPJMESA-N 309.365 2.644 0 50 DFAA COc1ccsc1S(=O)(=O)NCCCCCCC(C)=O 585114524 HLAQJIFNNZKNPV-UHFFFAOYSA-N 319.448 2.575 0 50 DFAA Cc1cc(C[C@H]2CN(Cc3c(C)cccc3C)C[C@@H]2O)on1 1616069497 JBLIWYCUJFIJLT-YJBOKZPZSA-N 300.402 2.635 0 50 DFAA COc1nccnc1N1CCC[C@H]1c1ccc(CN(C)C)cc1 1529126835 RKQKFNOHEQJBBM-INIZCTEOSA-N 312.417 2.888 0 50 DFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1sccc1Br 111533899 XBMGEWXQAMKCSS-SCZZXKLOSA-N 317.252 2.853 0 50 DFAA Cc1cc(C)cc(OCCCN(C)c2nnc(CN(C)C)o2)c1 1772703384 KWUHCYWVNWOPJJ-UHFFFAOYSA-N 318.421 2.653 0 50 DFAA COc1ccc(CCN2C[C@H](NC3CCCCC3)CC2=O)cc1 11839031 QZSWHJMGFVQZGR-QGZVFWFLSA-N 316.445 2.761 0 50 DFAA Fc1ccc(-n2nnnc2COc2cccc3cccnc23)cc1 13624079 ISMRPTHPOVCREW-UHFFFAOYSA-N 321.315 2.929 0 50 DFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3Cl)ccc21 13957612 LXPXMFHDZLVYNO-UHFFFAOYSA-N 315.760 2.783 0 50 DFAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C)CC1 19579626 RBYGUFHTZJFRDC-UHFFFAOYSA-N 319.792 2.691 0 50 DFAA O[C@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCc2ccccc2C1 105606615 LBKQAOZQTPAMGS-UHMOLFJZSA-N 315.457 2.858 0 50 DFAA biogenic CCc1nc(C)cc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)n1 225474959 VGTWWVSPIHSCTQ-GDBMZVCRSA-N 313.401 2.668 0 50 DFAA COCc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 225617889 FTUOHKXZFMOVFR-KURKYZTESA-N 317.429 2.989 0 50 DFAA c1ccc2c(c1)OCCOCCOc1ccccc1OCCO2 4262166 QSBFECWPKSRWNM-UHFFFAOYSA-N 316.353 2.932 0 50 DFAA in-vitro O=C(O)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 11730777 FTNPFHVYSAYJHB-UHFFFAOYSA-N 300.705 2.681 0 50 DFAA in-vitro Cn1ccc(NC(=O)N2CCC[C@]2(C)Cc2ccccc2F)n1 646252874 QYMSQUSWUOPFNC-QGZVFWFLSA-N 316.380 3.188 0 50 DFAA O=C(NCCc1ccc(Cl)s1)[C@H]1CCCc2[nH]ncc21 133003621 RUXBTHJQTHVROX-JTQLQIEISA-N 309.822 2.903 0 50 DFAA CC(C)(C)[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)O 140159228 WSQRKSHLQJBEFR-GFCCVEGCSA-N 302.330 2.571 0 50 DFAA Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)n1 675589363 RTXZJWZSWIURNM-AWEZNQCLSA-N 310.357 2.929 0 50 DFAA COc1cc(OC)c2sc(NC(=O)C3CCOCC3)nc2c1 1875276915 MGJSJMGCYLCYJN-UHFFFAOYSA-N 322.386 2.679 0 50 DFAA Cc1noc(C)c1Cc1nc(-c2cccc([C@@H](O)CF)c2)no1 1875276439 ICHCRUVYPIMHPV-AWEZNQCLSA-N 317.320 2.935 0 50 DFAA Cc1cc(C(=O)NS(C)(=O)=O)sc1-c1ccc(F)cc1 1875390330 LQJDOFIVQICTOT-UHFFFAOYSA-N 313.375 2.552 0 50 DFAA O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cc(F)c(F)c(F)c1F 888099864 VZUNPEJUJNHPGA-BDODKLCJSA-N 303.255 2.540 0 50 DFAA O=C1CCN(Cc2ccccc2)C(=O)[C@@H](CCc2ccccc2)N1 1775997691 JWLICHVIMRCZAM-GOSISDBHSA-N 322.408 2.537 0 50 DFAA O=C(O)C[C@@H]1CC2(CCC2)CN1Cc1ccc2c(c1)OCCO2 1777632416 FCOJEMNKNPYQIH-CQSZACIVSA-N 317.385 2.677 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CC[C@@](C)(CO)C3)c2)cc1 2325737527 WSXIRVCVJCQHKG-LJQANCHMSA-N 310.397 2.902 0 50 DFAA CC[C@H](C)CC[C@@H](O)CC(=O)N1CCC12CCC(CO)CC2 2325741204 PZCZTSIMQGSBIG-UERKLNTKSA-N 311.466 2.717 0 50 DFAA CN(Cc1ccc2cnccc2c1)Cc1n[nH]c2c1COCC2 2325772106 ZPDRUUDVEGIXPZ-UHFFFAOYSA-N 308.385 2.663 0 50 DFAA CCc1ccc(CNC(=O)[C@@H]2CCCc3c2ncn3C)s1 2325779417 AXIRPCBBMCBNOP-CYBMUJFWSA-N 303.431 2.780 0 50 DFAA O=C(O)c1cnc([C@@H]2CCCN(C(=O)c3ccsc3)C2)s1 2325792488 IHRMCCJNEBMAKK-SECBINFHSA-N 322.411 2.923 0 50 DFAA Cc1c(C2CCOCC2)noc1NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 2325793926 LUCGLRNNMNYFNF-HVTMNAMFSA-N 322.405 2.875 0 50 DFAA Cc1cccnc1[C@H]1CCN(C(=O)c2noc3c2CCCC3)C1 2325808665 SBKUNIKNMSLHGQ-ZDUSSCGKSA-N 311.385 2.887 0 50 DFAA C[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(C(N)=O)[nH]1 2325868523 ABULJDYMSQXPGA-LBPRGKRZSA-N 321.380 2.628 0 50 DFAA CCCn1[nH]c(=NCc2nc(CC3CC3)no2)c2ccccc21 2325899503 HZPIRXSVMSENLO-UHFFFAOYSA-N 311.389 2.816 0 50 DFAA Cc1ccc([C@H](O)CN[C@@H](C)[C@H]2COc3ccccc3C2)o1 902817354 ZZCWUIXJRDYFNJ-NUEKZKHPSA-N 301.386 2.851 0 50 DFAA NCCc1c(C(=O)O)[nH]c2ccc(OCc3ccccc3)cc12 187820 FERYDSXBQXBEGS-UHFFFAOYSA-N 310.353 2.946 0 50 DFAA CCOCc1nnc(NC(=O)CCCOc2ccccc2)s1 2846589 HOSNKYBTRUEMTR-UHFFFAOYSA-N 321.402 2.872 0 50 DFAA CCN(CC)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2886192 DXLGUUUBMZYZDW-GFCCVEGCSA-N 314.307 2.679 0 50 DFAA O=C(Nc1cccc2ccccc12)O[C@H]1C=CS(=O)(=O)C1 2978717 UEQBPORZDQBLCV-LBPRGKRZSA-N 303.339 2.699 0 50 DFAA COc1ccc2[nH]c(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)cc2c1 2356167333 MMTBHGKOMHTPSE-UMSPYCQHSA-N 316.357 2.550 0 50 DFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2nccs2)CC1=O 4385121 ZZOVQFLAYXWPGP-YPMHNXCESA-N 315.398 2.691 0 50 DFAA CCOc1ccc(Cl)cc1S(=O)(=O)n1nc(C)cc1C 4387683 UMXWCCKIPORIMG-UHFFFAOYSA-N 314.794 2.789 0 50 DFAA CCN1CCN(C(=S)c2ccc(Br)cc2)CC1 4477784 SRRXZDLALXNSBQ-UHFFFAOYSA-N 313.264 2.762 0 50 DFAA CCc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)nc1 55243967 JBVYGJUMQIALEH-UHFFFAOYSA-N 309.413 2.602 0 50 DFAA Cc1cccc(CS(=O)(=O)NCCCN2CCCCCC2)c1 10111329 BSNXUVBPDYKZAM-UHFFFAOYSA-N 324.490 2.681 0 50 DFAA CCNC(=O)[C@@H]1C[C@H](NC2CCCCCCC2)CN1C(C)C 23361627 PIPOVYTVFJIZQG-IRXDYDNUSA-N 309.498 2.676 0 50 DFAA COc1ccc2nc(NC(=O)CC[C@H]3CCNC3)sc2c1 134468539 CVRUEZKKVOCKRN-JTQLQIEISA-N 305.403 2.633 0 50 DFAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@@H](O)C1 67894412 XZUADXULCKXQRE-CQSZACIVSA-N 308.328 2.885 0 50 DFAA COC[C@H]1[C@@H](NC(=O)Nc2cccc(SC)c2)[C@H]2CCO[C@H]21 1074602321 SQWBTRGWGRBOAL-CBBWQLFWSA-N 322.430 2.580 0 50 DFAA O=C1CC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)CN1 65396248 SDIDEVWBZOCQLT-UHFFFAOYSA-N 323.396 2.974 0 50 DFAA C[C@@H](Cc1ccccn1)N(C)C(=O)Cn1cnc2ccccc21 67834158 KCLIRACUCQFHTN-AWEZNQCLSA-N 308.385 2.521 0 50 DFAA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC)CC1 20567992 SXXJJFDXNVSECU-OAHLLOKOSA-N 310.825 2.662 0 50 DFAA Cc1nccn1C[C@@H](C)NCC1CCN(C2CCCC2)CC1 65404263 VHUYFVQZZGNYBV-OAHLLOKOSA-N 304.482 2.824 0 50 DFAA Cc1cccc(C)c1OCCC(=O)NCCCc1cn[nH]c1C 320327023 YEHBKEBRDDHDFS-UHFFFAOYSA-N 315.417 2.853 0 50 DFAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)Cc1cccnc1 331853724 RAWRUJXWXXOCCE-LBPRGKRZSA-N 324.306 2.669 0 50 DFAA Cc1nc(CN(C)C(=O)[C@H](C)n2ccnc2C(C)C)cs1 65398937 MNEJPFSAQWBNIG-NSHDSACASA-N 306.435 2.991 0 50 DFAA Cc1cccc(C)c1N1CCN(c2cc(Cl)nc(N)n2)CC1 1390459 ZSXRMVMDMVKEFE-UHFFFAOYSA-N 317.824 2.656 0 50 DFAA CC(C)c1nccn1[C@@H](C)C(=O)N1CCC2(CCCO2)CC1 71751461 DZPFQIQTOVJQLK-AWEZNQCLSA-N 305.422 2.739 0 50 DFAA O[C@](Cc1ccccc1Cl)(Cn1cncn1)C1(Cl)CC1 6095347 HHUQPWODPBDTLI-CQSZACIVSA-N 312.200 2.677 0 50 DFAA biogenic,in-vitro CC(C)Oc1ccc(C(=O)NCc2cccnn2)c(Cl)c1 457768259 XBMUPHFCDSQYNZ-UHFFFAOYSA-N 305.765 2.847 0 50 DFAA Cc1ccnc(NC[C@H]2CCN(Cc3cnn4ccccc34)C2)c1 371372937 JBXXLMLZJQJZBF-MRXNPFEDSA-N 321.428 2.972 0 50 DFAA CN(C(=O)COc1cccc2c1CCCC2)[C@H]1CCCC[C@H]1O 72119410 XYGLVFJUPMUBOD-DLBZAZTESA-N 317.429 2.706 0 50 DFAA CC(=O)Nc1cccc(C(=O)N(C)CC[C@H]2CCCCO2)c1 74599743 UBCYRIFZLLEVRS-MRXNPFEDSA-N 304.390 2.676 0 50 DFAA Cc1cnc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)cn1 72430356 KVNCCFZSJXUOCN-UHFFFAOYSA-N 308.341 2.712 0 50 DFAA CCN(C)C[C@H]1CC[C@@H](Cc2ccc3c(c2)CN(C)C(=O)N3)O1 72431085 QZMCRFFDYXORBA-JKSUJKDBSA-N 317.433 2.706 0 50 DFAA Cc1ccc(CCNC(=O)N2CC[C@@H](CN3CCCC3)C2)cc1 174267400 YHPZXBLOKOWFAC-SFHVURJKSA-N 315.461 2.665 0 50 DFAA Cc1cccc2c1CCN2C(=O)c1nc(-c2ccccc2)nn1C 241121873 JEKVWSBYDKGEEJ-UHFFFAOYSA-N 318.380 2.993 0 50 DFAA CCn1nccc1C1CCN(C(=O)c2c(C)nsc2C)CC1 329059105 JAJOWOBZHWCFKK-UHFFFAOYSA-N 318.446 2.996 0 50 DFAA CN(CC(=O)O)[C@@H]1CCCN(Cc2ccc3occc3c2)CC1 263456993 AXVBEGJRJZYKHJ-MRXNPFEDSA-N 316.401 2.804 0 50 DFAA O=C(O)c1ccc(CN2CCOC[C@H]2Cc2ccccc2)cc1 263560686 BPTRLTUIRIOORA-GOSISDBHSA-N 311.381 2.828 0 50 DFAA O=C(NCCC[C@H]1CCOC1)c1ccc(-c2ncccn2)cc1 426571467 JZOLUIXPHMPVRR-AWEZNQCLSA-N 311.385 2.690 0 50 DFAA O=C(C[C@@H]1CCCOC1)NCc1nc2ccc(Cl)cc2[nH]1 426674341 SJBLSGCZBJMHQH-JTQLQIEISA-N 307.781 2.649 0 50 DFAA CCc1nnc(CNC(=O)c2ccc(Oc3ccccc3)o2)o1 223015444 YBONCDFSXZJDQN-UHFFFAOYSA-N 313.313 2.947 0 50 DFAA CN(CCCc1nccn1C)C(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 426575033 NVOCKULKPJZOOU-OWCLPIDISA-N 316.449 2.596 0 50 DFAA CC(C)(C)OC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F 95626825 PSPDHUFIFZMSHQ-NXEZZACHSA-N 305.346 2.896 0 50 DFAA C[C@H](c1ccon1)N(C)C(=O)C1CCN(Cc2ccco2)CC1 95382470 NZFWHCDQWFUOHP-CYBMUJFWSA-N 317.389 2.699 0 50 DFAA CC(C)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3)C2)C1 95519844 AMHFULSVMRVMCM-KRWDZBQOSA-N 316.445 2.534 0 50 DFAA COc1cc(OC)cc([C@H](O)CNc2cc(C(C)C)ncn2)c1 95376174 CHWFMRAXKXFCHX-MRXNPFEDSA-N 317.389 2.763 0 50 DFAA CCc1ccc([C@H]2CN(C(=O)Nc3ccnnc3)CCO2)cc1 297503355 WHQAVJWBQYOZLE-MRXNPFEDSA-N 312.373 2.644 0 50 DFAA CC(C)c1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)n[nH]1 252527988 DXDDIIJUSNVDGC-CZUORRHYSA-N 304.438 2.527 0 50 DFAA c1cnc(-c2nc(CCN[C@H]3CCCSC3)cs2)cn1 534636954 HCYYAKWBTHQPLK-NSHDSACASA-N 306.460 2.628 0 50 DFAA COc1ccccc1N1CCN(Cc2nc(C)c(C)[nH]2)[C@H](C)C1 299781012 UKFSMTCPHZQWTG-CYBMUJFWSA-N 314.433 2.746 0 50 DFAA C[C@@H](CC(F)(F)F)NCc1nncn1CCc1ccccc1 820978127 UNGUGABEFIGEOM-LBPRGKRZSA-N 312.339 2.951 0 50 DFAA COc1ccccc1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](OC)C2 670472594 XQPHBHCTINCION-ZSHCYNCHSA-N 303.402 2.796 0 50 DFAA Cc1onc(-c2cccs2)c1C(=O)N(C)CCn1cccn1 1336963888 CPLVJGDXMDHCAN-UHFFFAOYSA-N 316.386 2.680 0 50 DFAA O=Cc1nc2[nH]cc(I)c2cc1Cl 66054475 CYDZWQDJKFBYHT-UHFFFAOYSA-N 306.490 2.633 0 50 DFAA in-vitro C[C@@H]1CC[C@H](CCC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)O1 268955538 XJDJYPBDAWLEAP-KCPJHIHWSA-N 323.364 2.805 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 269194010 PELJQSPQRNJCDK-SNVBAGLBSA-N 303.289 2.632 0 50 DFAA COc1cccc(F)c1NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 186152819 ZWCLOBFVZPMJTG-LLVKDONJSA-N 318.352 2.589 0 50 DFAA CCCCO[C@H]1C[C@H](N(C)C(=O)c2cnnc(C)c2)C1(C)C 276518274 LXIQBJPECLWAAP-GJZGRUSLSA-N 305.422 2.841 0 50 DFAA Cn1cncc1C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F 278616110 MAJKHLJIUQWLAZ-UHFFFAOYSA-N 315.270 2.764 0 50 DFAA CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1N 170622778 VURKSLHFHRVRSS-UHFFFAOYSA-N 324.178 2.702 0 50 DFAA CCOc1cc(C(=O)N[C@@H](C)c2cnccn2)cc(Cl)c1O 636161067 OVLAACYTKPNRGD-VIFPVBQESA-N 321.764 2.725 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)c(C)o1 643893521 AQIIEVORFZZDGU-HNNXBMFYSA-N 314.389 2.730 0 50 DFAA CCNC(=O)c1cc(NCc2ccnn2CC)nc2ccccc12 191591088 RDRKWJHDDUZJDK-UHFFFAOYSA-N 323.400 2.813 0 50 DFAA CCn1cc([C@H]2CN(C(=O)CC3CCCCC3)CCO2)cn1 191727374 LEGOVMYBHANUNC-MRXNPFEDSA-N 305.422 2.773 0 50 DFAA CC(C)(C)OC(=O)NC[C@@H](NC1CCOCC1)C1CCCC1 193391882 RYIUXZKMEOKIRO-OAHLLOKOSA-N 312.454 2.839 0 50 DFAA CN(C)c1ncnc2c1ncn2Cc1ccc(C(F)(F)F)cc1 195523811 ORLGRLYLSNBFRT-UHFFFAOYSA-N 321.306 2.959 0 50 DFAA CC(C)c1nn(C)cc1NC[C@@H]1CCCO[C@H]1c1cnn(C)c1 657454751 OOHQYMYZFXBKMC-SUMWQHHRSA-N 317.437 2.857 0 50 DFAA Cc1cnc([C@@H](NC(=O)N(C)CC2=CCCOC2)C2CC2)s1 664221796 HJTSUPPDFZYKBL-AWEZNQCLSA-N 321.446 2.891 0 50 DFAA O=C(NCc1[nH]nc2ncccc12)c1cc(-c2ccccc2)on1 1772814092 JTQKVGDIGMQZIT-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA NCCc1nnc(NCC2(c3ccccc3)CCCCC2)o1 1772708443 HXVXHVUMYZRJKK-UHFFFAOYSA-N 300.406 2.885 0 50 DFAA Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC2)no1 12307173 FHKSQYSGTIJBPQ-UHFFFAOYSA-N 310.357 2.617 0 50 DFAA C[C@H]1Cc2cc(-c3ccc(CNS(C)(=O)=O)cc3)ccc2O1 163351312 HQLKFSUOGYJINE-LBPRGKRZSA-N 317.410 2.726 0 50 DFAA COCCN1CCN(Cc2ccc3ccccc3c2)CCC1=O 200518813 NGLWFPCXHQDULF-UHFFFAOYSA-N 312.413 2.521 0 50 DFAA CC(C)c1csc(-c2nccn2CC[C@H]2CNCCO2)n1 1857673227 LOQJFIYLQLJLRX-LBPRGKRZSA-N 306.435 2.509 0 50 DFAA CC(C)n1ccc(NC(=O)[C@@H](O)c2ccc(Cl)cc2F)n1 813553955 JISBFPYGIGFNCZ-ZDUSSCGKSA-N 311.744 2.929 0 50 DFAA CCOC(=O)c1sc2ncnc(NCCCOC)c2c1C 1942382 XLFLHXKCPBAWKJ-UHFFFAOYSA-N 309.391 2.625 0 50 DFAA COc1ccccc1[C@@H]1CN(C(=O)c2cccs2)CCN1 328586276 NNHVQRWWWSRLGE-ZDUSSCGKSA-N 302.399 2.543 0 50 DFAA CC1(c2nc(-c3ccc4c(c3)OCCO4)no2)CCC(=O)CC1 333887292 XWPIXVMVWDBESZ-UHFFFAOYSA-N 314.341 2.909 0 50 DFAA Cc1ccc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 252477225 KIRQUDAWUMIKCZ-MGPQQGTHSA-N 306.431 2.813 0 50 DFAA CCOc1ccccc1CNC(=O)N1CCC[C@@H](OC)CC1 370001055 VXHCZBLZHUKZBQ-OAHLLOKOSA-N 306.406 2.796 0 50 DFAA CCOCC[C@@H](O)Cn1nnc(-c2ccc(Cl)cc2)c1C 585138068 LWFVSTAJMLZNAY-CQSZACIVSA-N 309.797 2.694 0 50 DFAA C[C@H]1CC[C@H](c2nc(CC(=O)N3CCC[C@H]3CO)cs2)CC1 901224562 RRFNNUGHEMDTCX-YDHLFZDLSA-N 322.474 2.963 0 50 DFAA CN1CCC[C@]2(CO)CCN(c3nccc4ccccc34)C[C@@H]12 1704329174 OJGDJTNQVKDXIA-IEBWSBKVSA-N 311.429 2.518 0 50 DFAA Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(C(C)C)on1 826278647 MWMPJNIATASCBR-UHFFFAOYSA-N 312.333 2.539 0 50 DFAA CC(C)c1csc(CNC(=O)c2cc(C(F)F)ncn2)n1 934857520 CBMXRMLZDWSJJX-UHFFFAOYSA-N 312.345 2.924 0 50 DFAA Cc1cc(C(=O)NCCc2cnn(-c3ccccc3)n2)ccc1F 1875316370 LWPKRLGXVFHJHM-UHFFFAOYSA-N 324.359 2.687 0 50 DFAA CC[C@H]1C[C@H]1C(=O)N1CC2(CCN(C(=O)CC(C)(C)C)CC2)C1 1875358352 SHOJYTFZSVUVHY-LSDHHAIUSA-N 320.477 2.920 0 50 DFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCC[C@@H]2C[C@@H]21 890247942 IAMQJMOMNBXFOC-ZACQAIPSSA-N 310.401 2.818 0 50 DFAA CC(C)(CNC(=O)N[C@@H]1C[C@H]1c1ccco1)C1=CCOCC1 1312852264 XVJDKNWEUCMAAR-ZIAGYGMSSA-N 304.390 2.808 0 50 DFAA CCCc1cc(C(=O)Nc2cnccc2-n2ccnc2C)no1 1324459342 SCBLSYWXUJZCBO-UHFFFAOYSA-N 311.345 2.769 0 50 DFAA COc1cnc(NC(=O)Nc2cn(C(F)F)nc2C)s1 2325781585 KZRTYOOVDVHMJW-UHFFFAOYSA-N 303.294 2.696 0 50 DFAA CC(C)(NC(=O)c1ccccc1)c1noc(-c2cccc(O)n2)n1 2325865247 TXDMWFABULTMDV-UHFFFAOYSA-N 324.340 2.502 0 50 DFAA Cc1ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)cc1 1727935 SQAMMNMSZORLLO-UHFFFAOYSA-N 319.382 2.665 0 50 DFAA O=C(c1cccc(F)c1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101751671 KGOWKMTYMXZBNS-ZQIUZPCESA-N 302.393 2.772 0 50 DFAA Cc1c(CN[C@H]2CCCN(CC3CCCCC3)C2)cnn1C 20774578 HTZGCTQBAWNBBM-SFHVURJKSA-N 304.482 2.863 0 50 DFAA CCn1cc(CCN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1 253396767 ICGHFXBJXUJYAD-YOEHRIQHSA-N 321.371 2.532 0 50 DFAA O[C@@]1(Cn2ccc(-c3cccs3)n2)CCCN2CCCC[C@@H]21 63855854 QFCFKKKWHJPWAN-IAGOWNOFSA-N 317.458 2.991 0 50 DFAA O=S(=O)(c1sccc1Cl)N1CCC[C@H](CCO)CC1 331647121 NYXZNYNRHAWPBX-JTQLQIEISA-N 323.867 2.575 0 50 DFAA C[C@@H](NC1CCN(CCc2ccccc2)CC1)[C@H]1CCCO1 121722843 LAUSQEGNZKVTTA-VQIMIIECSA-N 302.462 2.851 0 50 DFAA Cc1cccn2c(CC(=O)N(C)[C@H](C)c3nccs3)cnc12 65375942 YDIRLWVROLFOTI-GFCCVEGCSA-N 314.414 2.861 0 50 DFAA Cc1ccc(CN(CCCO)C(=O)[C@H](O)C2CCCCC2)cc1 1506411255 HQYOGJPXUODLCD-GOSISDBHSA-N 319.445 2.647 0 50 DFAA O=C(NCCF)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 281084473 TYNKODBLOSLAAC-SNVBAGLBSA-N 319.302 2.553 0 50 DFAA COc1cc(-c2noc(-c3nc4cccnc4s3)n2)ccn1 253415809 DELTYTHHCUKOGH-UHFFFAOYSA-N 311.326 2.812 0 50 DFAA CCCOc1ccc(CNC(=O)c2cc(COC)on2)c(C)c1 252482764 DNHVDFSIBPBGLR-UHFFFAOYSA-N 318.373 2.848 0 50 DFAA NC(=O)c1n[nH]c2ccc(NC(=O)c3sccc3Cl)cc12 354525220 ZANGUQWGLYYDTB-UHFFFAOYSA-N 320.761 2.629 0 50 DFAA CC(C)n1ncc2c1C[C@H](N=c1nc(C3CC3)[nH]s1)CC2 330083534 HMPORTCCBBCBCC-GFCCVEGCSA-N 303.435 2.584 0 50 DFAA O=C(c1ccoc1C(F)(F)F)N1CCOCC2(CCC2)C1 355791220 IGWSPUVKBIYMOD-UHFFFAOYSA-N 303.280 2.941 0 50 DFAA Cc1ccc(-c2ccnc(N[C@H](C)c3n[nH]c(C)n3)n2)c(C)n1 71763047 UKUWVGCEEUDHIP-LLVKDONJSA-N 309.377 2.755 0 50 DFAA O[C@]1(CN2CCCCC2)CCN(Cc2ccc(Cl)s2)C1 77421706 SCKYVZBEPXGUIM-HNNXBMFYSA-N 314.882 2.824 0 50 DFAA COc1ccc(CN2CCC(CCN3CCOCC3)CC2)cc1 363206180 DSRJBXCNHZDSPW-UHFFFAOYSA-N 318.461 2.630 0 50 DFAA Fc1cccc(CN2CCC(CCN3CCOCC3)CC2)c1 363674318 FGORAHRJFSTKQZ-UHFFFAOYSA-N 306.425 2.760 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 282606252 RDVNHASZNTWZPM-ZBFHGGJFSA-N 317.364 2.551 0 50 DFAA O=C(CSc1ccncc1)NCc1ccc(-n2cccn2)cc1 45775100 WHPJCEGLKVXCFV-UHFFFAOYSA-N 324.409 2.676 0 50 DFAA O=C(NCc1ccc(CO)c(F)c1)c1cc2cc(F)ccc2[nH]1 339664905 ZEDDWJQAVDLCAR-UHFFFAOYSA-N 316.307 2.868 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 174194111 GIPIDAGZCPJYQR-WZYMTQMTSA-N 302.418 2.585 0 50 DFAA Cc1ccc(CCNC(=O)N2CC[C@H](CN3CCCC3)C2)cc1 174267387 YHPZXBLOKOWFAC-GOSISDBHSA-N 315.461 2.665 0 50 DFAA Cc1ccc(C(=O)CN2CCN(Cc3ccccc3)CC2)cc1 43191575 CGURMAUKAVPAPV-UHFFFAOYSA-N 308.425 2.996 0 50 DFAA c1ccc2cc(-c3cn(CCCN4CCOCC4)nn3)ccc2c1 82136880 BCWLAYCJBREFPG-UHFFFAOYSA-N 322.412 2.821 0 50 DFAA CC1(C[C@]23CC=CC[C@]2(C(=O)OCCO)CCCC3)OCCO1 43214746 LVDQEYTVFLQVNL-QZTJIDSGSA-N 324.417 2.572 0 50 DFAA Cc1ccc(C(=O)N(CC(=O)N2CCCCCC2)C(C)C)o1 286372244 FDVPMAOLKGQHTR-UHFFFAOYSA-N 306.406 2.841 0 50 DFAA COc1ccc(Cl)cc1N1CC[C@H](Nc2nnc(C)o2)C1 287962205 QZCZYTCSEQTEKT-NSHDSACASA-N 308.769 2.731 0 50 DFAA CCN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 42359956 CUWPNHRIUFBOEW-ZDUSSCGKSA-N 310.825 2.580 0 50 DFAA CC[C@@]1(CO)CCCN(CCOc2c(OC)cccc2OC)C1 91586837 WLXNAXKWDYQZET-GOSISDBHSA-N 323.433 2.567 0 50 DFAA CCN1CC2(CCN(CCOc3ccc(F)cc3)CC2)CC1=O 95503232 ADHFNVUHESTRDS-UHFFFAOYSA-N 320.408 2.539 0 50 DFAA Cc1nn(C)c2nc(N(C)CC[C@@H](O)c3ccccc3)sc12 95520103 YMXXWTATQXLRIN-CYBMUJFWSA-N 316.430 2.898 0 50 DFAA O=C(c1ccncc1C(F)(F)F)N1C[C@H](CO)c2ccccc21 293807647 DGOSVSOIYVQKOX-SNVBAGLBSA-N 322.286 2.837 0 50 DFAA CCOCCC(=O)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 91586392 JZRHQJXIPDXHSC-AWEZNQCLSA-N 315.417 2.771 0 50 DFAA c1csc(-c2ncc(-c3nc([C@@H]4CCOC4)no3)cn2)c1 96148481 INXCODOGYZTFNU-SECBINFHSA-N 300.343 2.759 0 50 DFAA O=C(c1ccc2cccc(F)c2n1)N1CCC2(CCO2)CC1 97654126 AKJSYFRIHIWXOQ-UHFFFAOYSA-N 300.333 2.769 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C 244659618 HFWJNGUUBQJJBO-DJIMGWMZSA-N 305.418 2.833 0 50 DFAA C[C@@H](NC(=O)CCCn1cccn1)c1ccccc1-n1cccn1 347204556 LZBWCEZNSSPDJD-OAHLLOKOSA-N 323.400 2.726 0 50 DFAA CCc1noc(-c2cc3n(n2)C[C@H](c2ccc(F)cc2)OC3)n1 263617773 PNWLSEMPXKBOSB-CQSZACIVSA-N 314.320 2.906 0 50 DFAA COC1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1 274497320 RYSRIOBQVMLPPZ-UHFFFAOYSA-N 300.362 2.719 0 50 DFAA O=c1c2cnccc2ncn1C1CCN(Cc2ccccc2)CC1 584891768 JLERKOHFWBPWMO-UHFFFAOYSA-N 320.396 2.629 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1 630134480 XCJLSLORGUQMCF-GVDBMIGSSA-N 307.349 2.587 0 50 DFAA C[C@H]1C[C@H](NC(=O)NCC(C)(C)c2cccc(F)c2)CCO1 271330030 ZOEVTTOCCAJDBF-SWLSCSKDSA-N 308.397 2.970 0 50 DFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)Nc1ccsc1 275961834 LXQDAFGNLKSLFK-JSGCOSHPSA-N 320.418 2.750 0 50 DFAA CN(Cc1ccccc1F)C(=O)c1nn[nH]c1-c1ccccc1 170607941 NRMUJSPBWVHXSD-UHFFFAOYSA-N 310.332 2.883 0 50 DFAA O=C1NCCCC[C@@H]1NC(=O)N1CCCC2(CCCCCC2)C1 170643395 NBRBDEHWTOSVNJ-HNNXBMFYSA-N 321.465 2.801 0 50 DFAA CC(C)n1ncc2ccc(NC(=O)N3C[C@@H](C)[C@H](CO)C3)cc21 192171634 CLXCLXRMKDKGIT-OCCSQVGLSA-N 316.405 2.709 0 50 DFAA COC(=O)c1cc(F)c(C)c(OCc2cn3cccnc3n2)c1 193572911 WFRAQGIBPLXNPA-UHFFFAOYSA-N 315.304 2.542 0 50 DFAA CCc1nccn1C[C@H](C)N(C)Cc1cnc2ccccc2n1 1506409423 XFLFBAXEDCKOMA-AWEZNQCLSA-N 309.417 2.909 0 50 DFAA Cc1c(NC(=O)c2cncc(Cl)c2)c(N2CCCC2)nn1C 1506407453 SDHOAXYEFTWYPA-UHFFFAOYSA-N 319.796 2.629 0 50 DFAA Cn1c(SCc2c(F)cccc2Cl)nc2c(=O)[nH]cnc21 12427868 UVGRVNQLRMADLE-UHFFFAOYSA-N 324.768 2.741 0 50 DFAA biogenic,in-vitro Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2F)no1 12971504 DOLUOACCAHMVOK-ZDUSSCGKSA-N 310.350 2.648 0 50 DFAA Cc1cc(C)cc(OCC(=O)N2CC(=O)Nc3ccccc32)c1 14401698 JMWUQDLNMPDKTI-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCc1ccc2c(c1)OCO2 15684747 KYOLSRCBZCJERQ-IJEWVQPXSA-N 321.417 2.556 0 50 DFAA COc1cccc(OC)c1OCCCN1C[C@H](C)O[C@H](C)C1 16247245 XEXFRABNVIMHEQ-OKILXGFUSA-N 309.406 2.582 0 50 DFAA CO[C@H]1CCCN(c2ccc(-c3nc(CC(C)C)no3)cn2)C1 19595696 WEQVQNDFJPFJDX-AWEZNQCLSA-N 316.405 2.945 0 50 DFAA Cc1ccc2ncnc(N3CC[C@@H](Oc4ccccc4)C3)c2n1 1857669168 SZCNYVNOPBOHCI-OAHLLOKOSA-N 306.369 2.991 0 50 DFAA CC(=O)N1CCC[C@]2(C1)CN(C1CCCCCCC1)CC[C@H]2O 1857686590 CUYDKLAWOCVUFH-MOPGFXCFSA-N 322.493 2.795 0 50 DFAA c1ccc(-n2cncn2)c(Cn2ccnc2-c2cnsc2)c1 1857705225 YNKSQLNXUZCISW-UHFFFAOYSA-N 308.370 2.636 0 50 DFAA Cn1nc(NC(=O)CCc2cnccn2)c2c(Cl)cccc21 1875240801 DZPAHCBVDFEFKX-UHFFFAOYSA-N 315.764 2.588 0 50 DFAA CN1Cc2cc(-c3ccc(C(=O)c4ncc[nH]4)cc3)ccc2C1=O 1875245867 BJPZZRRITNUQEG-UHFFFAOYSA-N 317.348 2.893 0 50 DFAA Cc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2[C@H](C)N)cn1 237452532 JNKAJHFFZDYJKL-YOEHRIQHSA-N 312.417 2.523 0 50 DFAA O=C(O)CCN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 238164862 GQUDLJAUMRWKIR-GFCCVEGCSA-N 319.336 2.530 0 50 DFAA O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@@H]1C1CC1 238124871 QCCASJSNZFJHDN-OLZOCXBDSA-N 323.339 2.814 0 50 DFAA COc1cc(CC(=O)N(C)c2cccnc2OC)ccc1Cl 449949231 BUXSWYWZLYIKCC-UHFFFAOYSA-N 320.776 2.958 0 50 DFAA CC(C)n1ccc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)n1 669435070 SGFDKEBWJYEQKS-CYBMUJFWSA-N 313.357 2.683 0 50 DFAA O=C(C[C@H]1CCCCO1)Nc1ccccc1N1CCCC1=O 152001302 HJSMYLDSPURVPN-CYBMUJFWSA-N 302.374 2.711 0 50 DFAA C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)c2ccccc2C(=O)N1 367502208 GQVLMMAIMDXZFW-GFCCVEGCSA-N 312.344 2.533 0 50 DFAA CC(C)c1[nH]ccc1C(=O)N1CCC[C@H](N2CCCCC2=O)C1 375742177 GYOCQBSKBXZVIU-AWEZNQCLSA-N 317.433 2.755 0 50 DFAA CN1CCC[C@]2(CO)CCN(c3ccnc4ccccc34)C[C@@H]12 1704332424 WXIJUJMOOBJOIB-RTBURBONSA-N 311.429 2.518 0 50 DFAA Cc1cc(O)nc(CN2CCC[C@@H](c3c[nH]c4ncccc34)C2)n1 931371292 XWUXJOIPEBMUCZ-CYBMUJFWSA-N 323.400 2.747 0 50 DFAA O=C(c1cccnn1)N1CC(OCc2cccc3ccccc23)C1 1136995924 KQGSCXIEGXUMTM-UHFFFAOYSA-N 319.364 2.671 0 50 DFAA O=C(Nc1ccc2c3c(cccc13)CC2)N[C@H]1C[C@H](C(=O)O)C1 871653163 MQEJLNWXAADRMB-JOCQHMNTSA-N 310.353 2.923 0 50 DFAA COc1ccc(CCN=c2cc(-c3ccccn3)nc(C)[nH]2)cc1 1875265518 ZYWJQFYRDCHYPR-UHFFFAOYSA-N 320.396 2.932 0 50 DFAA C[C@H]1Nc2ccccc2[C@@H]1C(=O)Nc1c[nH]nc1Br 1875358220 NIQFIBAIEBUULO-RDDDGLTNSA-N 321.178 2.709 0 50 DFAA CC[C@H](C)c1ccc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)c(O)n1 1875308922 HYPSMMHFAWRNEX-WDMOLILDSA-N 314.389 2.933 0 50 DFAA CC1(C)CC(=O)c2cc(OC[C@@H]3C[N@]3CC3CC3)ccc2O1 1875382009 NLIJZJPZYWUZFI-DJJJIMSYSA-N 301.386 2.903 0 50 DFAA CCn1nncc1C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 887579567 VRMDTBKFLSGEMP-HNNXBMFYSA-N 312.417 2.954 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc3ncccc3c2)C1 888079193 JRPCHPDGBMMOOI-NVXWUHKLSA-N 308.385 2.920 0 50 DFAA CCOc1ncnc2c1CN(Cc1cc(O)cc(Cl)c1)CC2 891886796 UXDODUIITVYSJU-UHFFFAOYSA-N 319.792 2.793 0 50 DFAA COC(=O)N1C[C@@H]2CC[C@H]1CN(CCCc1ccccc1)C2 1073297231 IFMKWVPDLYYLSA-SJORKVTESA-N 302.418 2.782 0 50 DFAA Cc1nc(C(=O)N[C@@]2(C)CCO[C@@H]2C)c(Br)s1 408469736 UJQOVBTWWYJYSA-KBUNVGBDSA-N 319.224 2.511 0 50 DFAA COc1cc(C)c(C(=O)N(CC(F)F)C[C@@H](C)O)cc1Cl 2325751310 KOMBHACXJDUATR-SECBINFHSA-N 321.751 2.745 0 50 DFAA CC1(C)Cc2nc[nH]c2[C@H](NCc2ccnc(-n3ccnc3)c2)C1 2325803666 UDXJOHFWRSODNC-CQSZACIVSA-N 322.416 2.794 0 50 DFAA Cc1cncc(-c2cn(Cc3cccc(CN(C)C)c3)nn2)c1 2325809086 DDTGAHOCMXZESM-UHFFFAOYSA-N 307.401 2.758 0 50 DFAA Cc1cc(C)cc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 45204 WYGVFFWXMZQSIF-CYBMUJFWSA-N 323.348 2.894 0 50 DFAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1 174135 CJHNWMDPTZLVMD-UHFFFAOYSA-N 319.411 2.833 0 50 DFAA CCOC(=O)COc1cc2oc(=O)cc(CC)c2cc1Cl 459064 PFPGPEJPHHDPMW-UHFFFAOYSA-N 310.733 2.951 0 50 DFAA Cc1nc(C(F)(F)F)ncc1CN1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2356135636 NKWBRAFJVXTQHQ-UOJUARBOSA-N 315.339 2.539 0 50 DFAA Cc1ncc2c(n1)[C@]1(CCCN(c3nncc(C)c3C)C1)CC2 2356138752 HKYMAHDWYGBOQJ-GOSISDBHSA-N 309.417 2.676 0 50 DFAA Cn1c(=O)n(C)c2cc(NC(=O)c3cccc(Cl)c3)ccc21 4487943 XQQQGMBRFBPOTG-UHFFFAOYSA-N 315.760 2.783 0 50 DFAA CCN(CC(=O)Nc1ccccc1C(=O)OC)c1ccccc1 4821265 BDNSXCPZDWVKEF-UHFFFAOYSA-N 312.369 2.938 0 50 DFAA O=C(CNCc1ccc(Cl)c(Cl)c1)Nc1cnccn1 65417496 IAIHUZHWRVKLSC-UHFFFAOYSA-N 311.172 2.512 0 50 DFAA COc1cc(Br)cc(C#N)c1OC1CCOCC1 116813295 UOGFCMTXPIPXND-UHFFFAOYSA-N 312.163 2.887 0 50 DFAA O=C(NC[C@@H]1CCCN(Cc2cccc(O)c2)C1)C1CCC1 67673234 VJVYCEKGDSKKCE-HNNXBMFYSA-N 302.418 2.521 0 50 DFAA COC(=O)[C@H](NC1CSCCSC1)c1cccc(C)c1 67820315 KHXPDDNYCPEAFW-CQSZACIVSA-N 311.472 2.647 0 50 DFAA Cn1cc(-c2nc(-c3ccccn3)no2)c(=O)c2ccccc21 20781637 MVAKUCVETYMPCZ-UHFFFAOYSA-N 304.309 2.651 0 50 DFAA C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H]1c1ccsc1 252463424 ONEPYOWGDNUTIU-YPMHNXCESA-N 302.403 2.702 0 50 DFAA CC(C)c1noc([C@@H](C)NC(=O)Cc2noc3ccccc23)n1 67559384 BOGZNLBXZLXVGB-SNVBAGLBSA-N 314.345 2.754 0 50 DFAA CC(C)Nc1ncccc1C(=O)N1CCC[C@@H](OCC2CC2)C1 364462704 PTZKDRUECVEEEI-OAHLLOKOSA-N 317.433 2.933 0 50 DFAA CCOc1ccc(-n2c(S)nnc2-c2cc(C)nn2C)cc1 6499683 DIXXARDXPMBUAC-UHFFFAOYSA-N 315.402 2.664 0 50 DFAA COCc1nocc1C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 362783806 XTRWNKUPRNEOAP-CYBMUJFWSA-N 321.402 2.736 0 50 DFAA CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](C(=O)O)C1 237015727 UYNXSWMZBATGFJ-JTMKOSTRSA-N 317.385 2.810 0 50 DFAA CNC(=O)[C@@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 333848760 MXHHNEGVEITUKC-GFCCVEGCSA-N 308.451 2.548 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72436642 JFLYWGIRQKPQFJ-MRXNPFEDSA-N 305.418 2.641 0 50 DFAA O=C(NCCc1cc2ccccc2o1)[C@@H]1CCn2cncc2C1 132729112 OUFRWBAWSVHMCB-CQSZACIVSA-N 309.369 2.551 0 50 DFAA C[C@H]1CSc2ccccc2CN1C(=O)c1cccn(C)c1=O 368921308 ZBDHNEQCKWRWBM-LBPRGKRZSA-N 314.410 2.522 0 50 DFAA C[C@@H]1C[C@@H](C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCO1 262782313 ZQNBOZPMSMLBDY-ZJUUUORDSA-N 303.314 2.885 0 50 DFAA CC(C)c1nc(CN(C)Cc2cnc(N(C)C)nc2)cs1 77436755 ZHCLWCLBLNMKKG-UHFFFAOYSA-N 305.451 2.755 0 50 DFAA Cc1cc(C)cc([C@@H](NC(=O)c2scnc2C)C(=O)O)c1 263128580 SQVBUNJZYVWVQC-GFCCVEGCSA-N 304.371 2.624 0 50 DFAA O=C(O)Cc1ccc(NC(=O)c2noc3c2CCCC3)cc1F 263296475 ZPGBRCFMWKKXHS-UHFFFAOYSA-N 318.304 2.572 0 50 DFAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(c3ccsc3)CC2)C1 263331307 PXYLKCVWNKZYCY-QWHCGFSZSA-N 307.415 2.955 0 50 DFAA O=C(c1nc2cccnc2s1)N1CCCC[C@H]1c1cc[nH]n1 286651609 ZJZFHVCAPAZLJN-LBPRGKRZSA-N 313.386 2.782 0 50 DFAA CC(C)c1cc(C(=O)NCCc2nc(C(=O)O)cs2)cs1 426442485 DTFKWAXZLYVVBE-UHFFFAOYSA-N 324.427 2.999 0 50 DFAA CC(C)(CNC(=O)N[C@@H]1CC12CCNCC2)c1ccc(F)cc1 612970025 KIFZLGGHPRHZIA-OAHLLOKOSA-N 319.424 2.545 0 50 DFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cn(C)nc1C1CC1 292114769 TXNNYTXXZUXIEI-MEBBXXQBSA-N 312.373 2.941 0 50 DFAA Cc1ccc([C@@H](C(=O)NC(C)(C)CN2CCCC2)N(C)C)cc1 95358946 FSQVMPIHGCHPOI-KRWDZBQOSA-N 317.477 2.588 0 50 DFAA CC[C@@H](C(=O)NCc1ccc(-n2ccnc2C)cc1)n1cccn1 92062394 AQZPYCPTPGOWJB-KRWDZBQOSA-N 323.400 2.645 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2N1CC2(CCNCC2)CCC1=O 91411050 YRTVYDPAHRWJBA-ZDUSSCGKSA-N 319.474 2.821 0 50 DFAA CO[C@H](C)c1nc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cs1 245338670 NSJTZCMQGKLDQN-MIMYLULJSA-N 324.368 2.738 0 50 DFAA CCn1nnc(C)c1C(=O)N1CCc2c(Cl)cc(F)cc2C1 295511125 USCNGAZKTLWONB-UHFFFAOYSA-N 322.771 2.597 0 50 DFAA CCc1ncc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)s1 299748332 GYHLQFNNZMLYHN-MXWKQRLJSA-N 308.403 2.563 0 50 DFAA CC(C)c1cc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)n[nH]1 252527987 DXDDIIJUSNVDGC-CJNGLKHVSA-N 304.438 2.527 0 50 DFAA Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 299785226 JWDGEPZSKMHARW-JTQLQIEISA-N 306.366 2.608 0 50 DFAA O=C1CCCCCN1CCC(=O)N1CCC(C(F)(F)F)CC1 827908311 CFOLAUUIOUKNLM-UHFFFAOYSA-N 320.355 2.580 0 50 DFAA CC1(C)[C@H]2CC=C(CNCc3nc(-c4ccncc4)n[nH]3)[C@@H]1C2 952869909 PDJCWECHWWTSHH-GJZGRUSLSA-N 309.417 2.949 0 50 DFAA COCc1ccc(C(=O)N2C[C@H](C)[C@@](O)(C3CCC3)C2)s1 1565514747 YEXAQGWMRHIDFS-MEDUHNTESA-N 309.431 2.518 0 50 DFAA COCCn1cnnc1[C@H](C)NCc1csc2ccccc12 952868586 CLENITOFJLGNTQ-LBPRGKRZSA-N 316.430 2.990 0 50 DFAA O=C(O)Cc1ccc(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1 630160622 NXWOUZYYEPSIGD-BPQIPLTHSA-N 307.349 2.838 0 50 DFAA CN(Cc1nccs1)c1ccc2nnc(C(C)(C)C)n2n1 274684992 OPVKVLXBKRPKIH-UHFFFAOYSA-N 302.407 2.515 0 50 DFAA O=C(Nc1ccc(O)cc1F)c1cccc(OCC(F)F)n1 170072551 OATIAMAJJXLSTQ-UHFFFAOYSA-N 312.247 2.823 0 50 DFAA Cc1cc(C)c2ncc(C(=O)N[C@H](C)Cn3cccn3)c(O)c2c1 170599952 XMSYWCRPBILCSO-CYBMUJFWSA-N 324.384 2.572 0 50 DFAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@H](CCC(=O)O)C2)C1 408513862 NXGWQPGSTXIYRM-RBSFLKMASA-N 311.422 2.685 0 50 DFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cn[nH]c2)C1 171012282 RDCAKMSWEAULMZ-GFCCVEGCSA-N 318.808 2.628 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)o1 639845006 HZOAKXSBRLNIFY-CXAGYDPISA-N 314.385 2.823 0 50 DFAA Cc1cc(F)c(Br)cc1NCc1nnc(C)n1C 190870893 RWGQBEQAUCHETB-UHFFFAOYSA-N 313.174 2.946 0 50 DFAA CO[C@H]1CC[C@@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1 191346846 ORNYJDKSECKMSS-KGLIPLIRSA-N 315.417 2.886 0 50 DFAA CCn1ccc(CC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)n1 649990660 ZDSXNDWWGROTRR-LSDHHAIUSA-N 303.793 2.771 0 50 DFAA CC1=N[C@H](Cc2ccccc2)C(=O)Nc2cc3c(cc21)OCO3 1615058571 QZWWZZKOLYCSEJ-OAHLLOKOSA-N 308.337 2.788 0 50 DFAA Cc1ccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)o1 1616081091 KOZQQHPAHHBROP-HKUYNNGSSA-N 312.413 2.846 0 50 DFAA COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F 1623816 PVSJXEDBEXYLML-UHFFFAOYSA-N 318.106 2.510 0 50 DFAA in-vitro Cc1cccc(N2CCC(N3C[C@H]4C[C@@H](O)C[C@H]4C3)CC2)c1 1800407873 AFTMNIGHGHYUSU-HGKCTWBKSA-N 300.446 2.667 0 50 DFAA COc1ccccc1N1CCN(C(=O)/C=C/c2ccco2)CC1 473299 YMBZDMAJMLMFBD-CMDGGOBGSA-N 312.369 2.650 0 50 DFAA CSCCC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 12455552 HUANMRHEDXZXCI-AWEZNQCLSA-N 310.438 2.659 0 50 DFAA Cc1c(Cl)cccc1C(=O)NCCC(=O)Nc1cccnc1 252498488 RDCRDZZMIYQJPQ-UHFFFAOYSA-N 317.776 2.802 0 50 DFAA c1ccc([C@H]2COC[C@H]3CN(C4CCSCC4)CCN23)cc1 1875248322 KWBXSECPCSTMHC-QZTJIDSGSA-N 318.486 2.640 0 50 DFAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(Cl)cc(F)c1N 225558419 OTSPHEVSJDIZKS-ZETCQYMHSA-N 310.760 2.594 0 50 DFAA C[C@@H](O)C[C@H]1COCCN1c1ncc(C(F)(F)F)cc1Cl 129969437 HOPHQFLKQIQGIA-SCZZXKLOSA-N 324.730 2.730 0 50 DFAA O=C(COC1CCCCC1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337270908 BHZPQXXWZYZJLV-ZACQAIPSSA-N 309.450 2.878 0 50 DFAA O=C(O)c1cc(Cl)cc(NC(=O)[C@@H]2CC23CCOCC3)c1 776640794 GPVWVECVNMGAHK-LBPRGKRZSA-N 309.749 2.793 0 50 DFAA COc1nc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc2ccccc12 155635198 MJKOYULJCDYIMR-BBRMVZONSA-N 314.385 2.524 0 50 DFAA C[C@@H]1CCC[C@@H](Nc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)C1 585116847 JZHJNPGKTMIMLN-KCPJHIHWSA-N 301.390 2.948 0 50 DFAA Cc1csc(C2(NCc3cnc(N(C)C)nc3)CCCC2)n1 264851049 ZXRDGVLRWCLGFC-UHFFFAOYSA-N 317.462 2.867 0 50 DFAA O=C1CC[C@H](c2ccc(-c3cccc([C@@H]4CCNC4=O)c3)cc2)N1 906210585 YTXVSRXJRISGSU-ZWKOTPCHSA-N 320.392 2.908 0 50 DFAA CC(C)n1c(NC(=O)[C@@H]2CCCC(=O)N2C)nc2ccccc21 912513729 AMGVXZUIBLAQAP-AWEZNQCLSA-N 314.389 2.567 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(C)CCCC[C@@H]2O)[nH]1 1875255423 ZLEUXFPCIYHFDK-FUHWJXTLSA-N 312.417 2.622 0 50 DFAA Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]43)c12 1875318390 IOINZSNQDQLDAQ-TYNCELHUSA-N 310.401 2.682 0 50 DFAA C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H](c2cnn[nH]2)C1 1775987462 AWBQAZXUUYCKPD-HFQYIWAZSA-N 310.401 2.923 0 50 DFAA Cc1csc(C(=O)Nc2nc(C)n(C)n2)c1Br 293626371 GASTYBXXBLWFBV-UHFFFAOYSA-N 315.196 2.508 0 50 DFAA Cn1c(COc2ccccc2)nn(CN2CCCC2)c1=S 68104 QWLTXFUZWLWXKI-UHFFFAOYSA-N 304.419 2.583 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCC3CCC3)CO2)C1 2325809747 FXXQJNLZWLPTTD-YOEHRIQHSA-N 310.438 2.545 0 50 DFAA Cc1cccc2c(C(=O)Nc3c[nH]nc3-c3ccccn3)n[nH]c12 2325840062 NRCSOAFLKIUKDH-UHFFFAOYSA-N 318.340 2.909 0 50 DFAA COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1OC 293408 AGUCSOTXOGVACF-UHFFFAOYSA-N 300.310 2.744 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)s1 299162 WNINYSLIEXVMMA-ZETCQYMHSA-N 317.292 2.963 0 50 DFAA Cc1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 341298 MIECICBQNPDEHB-UHFFFAOYSA-N 308.337 2.901 0 50 DFAA COc1cc(-c2n[nH]c(-c3ccncc3)n2)cc(OC)c1OC 505403 IPSSJCDGVMYMLJ-UHFFFAOYSA-N 312.329 2.560 0 50 DFAA O=C(COc1cnn(-c2ccccc2)c1)c1ccc(O)cc1O 569886 WDTMJFBPWBQDTQ-UHFFFAOYSA-N 310.309 2.545 0 50 DFAA CCOC(=O)c1ccc(Nc2nnc3nc(C)cc(C)n23)cc1 615127 VZCTWZVMWMLBBQ-UHFFFAOYSA-N 311.345 2.661 0 50 DFAA COc1cc(NC(=O)CSc2c(C)n[nH]c2C)cc(OC)c1 1051745 GAPCGHLHTZQYHA-UHFFFAOYSA-N 321.402 2.775 0 50 DFAA Cc1nc(N2CC[C@]3(C2)C(=O)Nc2ccccc23)nc(C)c1C 2356145946 YIVNXKVBDXPEAJ-GOSISDBHSA-N 308.385 2.502 0 50 DFAA COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OC 4671965 LYKGRDHQDYCMRL-UHFFFAOYSA-N 303.333 2.815 0 50 DFAA biogenic Cc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1F 7230440 FGVLYBXUWOBUNL-UHFFFAOYSA-N 309.318 2.633 0 50 DFAA CSC(C)(C)CNC(=O)Nc1cccc(C2OCCO2)c1 225679819 CUUBXVOYSPKZKK-UHFFFAOYSA-N 310.419 2.995 0 50 DFAA Cc1cc(C(=O)NC2(c3nccs3)CCCC2)cc(O)n1 133813636 SFZJFSNMRAGCDR-UHFFFAOYSA-N 303.387 2.751 0 50 DFAA CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 246858150 UFKRLRSXZWAUIV-OLRMPSLUSA-N 313.850 2.672 0 50 DFAA Cc1ccc(OCCCN(C)C(=O)C2CCNCC2)cc1C 55120577 KHZVDGQNEQHAEU-UHFFFAOYSA-N 304.434 2.530 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 247564333 RXVQGPUDMJIOMO-MIGQKNRLSA-N 303.406 2.742 0 50 DFAA OCc1cc(Oc2ccccc2CN2CCOCC2)ccc1F 67934893 WBYGUAXAUNWCLD-UHFFFAOYSA-N 317.360 2.943 0 50 DFAA O=C(Cn1cc(-c2ccccc2)nn1)N1CCC[C@@H]1C1CCC1 136110003 ISXDVLYORGYOQM-QGZVFWFLSA-N 310.401 2.736 0 50 DFAA COc1cccc(OC)c1-c1cccc(O[C@H](C)C(N)=O)c1 67473324 NFEBBHKGJRBQQJ-LLVKDONJSA-N 301.342 2.623 0 50 DFAA CC(C)c1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)n(C)n1 65366009 IRSJEUJMJSOGIV-QGZVFWFLSA-N 315.417 2.739 0 50 DFAA COCCCCC(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C 425034706 GXGHMIQKEVUBFD-ZFWWWQNUSA-N 313.438 2.772 0 50 DFAA O[C@@H](COCc1cccs1)CN1CCC[C@H]1c1ccc[nH]1 252477867 WSVZBBIZULTBMQ-CJNGLKHVSA-N 306.431 2.791 0 50 DFAA O=C(Nc1ccnn1-c1ccccc1)[C@@H]1Cc2cccc(F)c2O1 252572655 ZRWFXAKDFSPOPK-HNNXBMFYSA-N 323.327 2.954 0 50 DFAA Cc1cc2c(Cl)ncnc2n1S(=O)(=O)c1ccccc1 71787949 QSIDTDGOKALJNU-UHFFFAOYSA-N 307.762 2.630 0 50 DFAA Cc1ncc(C(=O)N[C@H](C)Cc2c(C)noc2C)c(C(C)C)n1 172477319 YMTJZFDQSLDDFQ-SNVBAGLBSA-N 316.405 2.874 0 50 DFAA O=C(c1ccncc1Cl)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282611137 RMPKLGGDLUGCAS-SWLSCSKDSA-N 320.751 2.822 0 50 DFAA CSCc1cc(C(=O)N2CCC[C@H]([C@H](C)N)C2)ccc1F 237380722 HYPWJJORAUUNTP-AAEUAGOBSA-N 310.438 2.888 0 50 DFAA COc1ccc2ccccc2c1CN1CC[C@@H](n2cncn2)C1 372365860 JNNKQSHFVLNFTB-OAHLLOKOSA-N 308.385 2.887 0 50 DFAA CC(C)c1ccn(C2(C(=O)O)CCN(c3nccs3)CC2)n1 72433390 AZAKVROIOUMZAO-UHFFFAOYSA-N 320.418 2.543 0 50 DFAA Cc1cnccc1NCCn1ccnc1-c1cccc2nonc12 72165749 XGYFOUSHVNCTMX-UHFFFAOYSA-N 320.356 2.902 0 50 DFAA CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c2ccccc12 41096242 SFZFYLBDGPQWMS-JTQLQIEISA-N 313.806 2.542 0 50 DFAA O=C1CCC[C@H](Cc2nc(Cc3ccccc3Cl)no2)N1 288804364 AOUVFDOANYPWED-LLVKDONJSA-N 305.765 2.525 0 50 DFAA Nc1cccnc1-c1cccc(C(=O)NCCCN2CCCC2)c1 426440267 JDXVFVNMQDATHZ-UHFFFAOYSA-N 324.428 2.547 0 50 DFAA CN(C)[C@H]1CCCCN(C(=O)c2ccc(-c3cnco3)cc2)C1 82160656 RDQGAYYVUZDUJR-INIZCTEOSA-N 313.401 2.898 0 50 DFAA CNC[C@@H]1CCN(C(=O)COc2ccc(C(C)C)c(C)c2)C1 179012009 BMIMSBUQXCHUKB-HNNXBMFYSA-N 304.434 2.565 0 50 DFAA CN1CCC(N(C)C(=O)Nc2cccc3c2ccn3C)CC1 1365765429 RTQLFWRVOHCCDC-UHFFFAOYSA-N 300.406 2.736 0 50 DFAA CCCn1cc(C(=O)NCC2(N(C)C)CCCCCC2)c(C)n1 91350588 CNAPVYBRDWDLRU-UHFFFAOYSA-N 320.481 2.986 0 50 DFAA Cc1nc(C(=O)NC[C@H](c2ccccc2C)N(C)C)cs1 96141530 YYLDSNLFCQZJIM-OAHLLOKOSA-N 303.431 2.793 0 50 DFAA CCc1ncc(C(=O)N[C@H]2CCCc3sc(C)nc32)cn1 95353404 ZCJZSFYWUFLFFK-NSHDSACASA-N 302.403 2.611 0 50 DFAA CCCn1ncc(C(=O)N2CCN(C(C)C)[C@@H](CC)C2)c1C 91526712 LSPBEVKXQZHCDZ-HNNXBMFYSA-N 306.454 2.546 0 50 DFAA CC(C)c1cc(C(=O)NC[C@H]2OCCc3ccccc32)on1 91381257 OOKNAMBCORUFRO-MRXNPFEDSA-N 300.358 2.842 0 50 DFAA O=C1Cc2cccc(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)c2O1 294500247 JUWFUIOQUQILJD-HOCLYGCPSA-N 307.349 2.682 0 50 DFAA Cc1ncsc1CCN(C)Cc1nc(-c2ccco2)no1 244691018 JBAFNJCMDJVEII-UHFFFAOYSA-N 304.375 2.769 0 50 DFAA Cc1ccc(C)c([C@H](C)NC(=O)CN(C)Cc2c[nH]nc2C)c1 240499967 NPTBMSHJRBETSX-HNNXBMFYSA-N 314.433 2.644 0 50 DFAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C1CCOCC1 298734790 RGGINSZHSPGCKG-MRXNPFEDSA-N 305.374 2.610 0 50 DFAA CCNC(=O)c1cc(NC(=O)c2cccc(N)c2)c(C)s1 685943706 MFVUZUFVIKVWOS-UHFFFAOYSA-N 303.387 2.641 0 50 DFAA CCc1cc(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)nn1C 1352167728 WRKMWWDFHHRJEH-UHFFFAOYSA-N 323.400 2.645 0 50 DFAA CC(C)n1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)n1 280660533 DEXHHFZCJKJETK-ZIAGYGMSSA-N 316.409 2.776 0 50 DFAA COC(=O)CCCNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 170610894 BASQWJAVVIPHJC-SNVBAGLBSA-N 324.343 2.560 0 50 DFAA Nc1cccnc1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 632842624 WPUKLWHVQAXOCU-AULYBMBSSA-N 301.777 2.993 0 50 DFAA CC(C)=CC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 408520483 HTCHPKNFNIEAEX-JTQLQIEISA-N 324.343 2.915 0 50 DFAA Cc1cnc(CN2CCOC[C@@H]2CC(=O)c2cccs2)s1 189217589 RLIPEBOVFYCOGZ-LBPRGKRZSA-N 322.455 2.987 0 50 DFAA CN(Cc1nnc([C@@H]2CCCOC2)o1)Cc1cc(Cl)cn1C 644250922 NMCDVHNGGYLTML-LLVKDONJSA-N 324.812 2.588 0 50 DFAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1nc(C2CC2)nn1C 648289535 RGCDEANJSIMNMR-XJKSGUPXSA-N 324.428 2.640 0 50 DFAA CC(C)(CNC(=O)c1nc2cccnc2s1)N1CCCCC1 193865587 JPRDIUFLOIZEMQ-UHFFFAOYSA-N 318.446 2.686 0 50 DFAA O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1c[nH]nn1 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321.760 2.890 0 50 DFAA COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(F)F 32626720 WRFAYKGRGVRSAG-WEVVVXLNSA-N 301.270 2.621 0 50 DFAA O=C1CCC(=O)N1Cc1ccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1 156234310 KOWNLLMQCNSQKD-HRCADAONSA-N 310.397 2.960 0 50 DFAA CC(C)n1cnc(S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1 245549452 OFBUISSCPXZAOF-NIFZNCRKSA-N 323.462 2.567 0 50 DFAA CN1C[C@]2(CCN(Cc3ccc(-c4cccnc4)cc3)C2)OC1=O 72428797 STTJBXOBWVUDDI-IBGZPJMESA-N 323.396 2.775 0 50 DFAA CCc1ccc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)[nH]1 219247961 XPEWHAVSUYNGJL-NSHDSACASA-N 301.394 2.775 0 50 DFAA Cc1cccc([C@H]2CCCN(Cc3cn(CCO)nc3C)C2)c1 215815827 VKSWHRBDOUBHGD-SFHVURJKSA-N 313.445 2.872 0 50 DFAA CCc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)nc(C)n1 174217486 KGZROMJMYNLYGZ-QLJPJBMISA-N 313.357 2.514 0 50 DFAA Cc1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cccc1C(N)=O 41891710 UTUHMIJSTDFQOX-LLVKDONJSA-N 316.332 2.639 0 50 DFAA Cc1nc2cc(C(=O)N[C@@H](CC(=O)O)C(C)C)ccc2s1 426493272 SPWUWWCLBBLGCW-NSHDSACASA-N 306.387 2.834 0 50 DFAA 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2.904 0 50 DFAA CC(=O)Nc1ccccc1OCc1nnc(C2CCC2)n1C 180977864 IEVNBHYMYAOVML-UHFFFAOYSA-N 300.362 2.620 0 50 DFAA CCC1=NO[C@H](CN2CCC(Cc3noc(C4CC4)n3)CC2)C1 252508494 XOEVEGFMKMFKFE-HNNXBMFYSA-N 318.421 2.756 0 50 DFAA O=S1(=O)CC[C@H]2CN(Cc3cc4ccccc4s3)C[C@H]21 352988051 MIWFBTRSVFYSHL-SWLSCSKDSA-N 307.440 2.520 0 50 DFAA CN1CCC[C@@H](c2nnc3sc(-c4ccc(F)cc4)nn23)C1 823771452 JZQGSXGZOQGRRU-LLVKDONJSA-N 317.393 2.801 0 50 DFAA c1ccc(Cc2noc(CNC3CSCCSC3)n2)cc1 584900775 CSPWRLKCZVBKSE-UHFFFAOYSA-N 321.471 2.599 0 50 DFAA c1cncc(-c2cc(CNC3CSCCSC3)on2)c1 584893685 CHJRBXVVCWZDPL-UHFFFAOYSA-N 307.444 2.675 0 50 DFAA OCCCn1nc(-c2ccc(F)cc2)nc1C[C@@H]1C=CCC1 670460449 VUCLOKHHIDJHQD-CYBMUJFWSA-N 301.365 2.975 0 50 DFAA C[C@H](NC(=O)CCCN1CCCCC1=O)c1ccc(F)cc1F 952981490 WYLLVKQXPATAQB-LBPRGKRZSA-N 324.371 2.935 0 50 DFAA O=C(O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 268924559 DACQROGYFOGPEB-XYJRBWASSA-N 323.339 2.828 0 50 DFAA C[C@H](Oc1ccc(NC(=O)[C@H]2CC=CCC2)cc1F)C(=O)O 630260003 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c1cc(-n2cc(N[C@@H]3CCCC4(CC3)OCCO4)cn2)ccn1 1615589027 VEMVQHXWYIJCAJ-CQSZACIVSA-N 314.389 2.755 0 50 DFAA CC(C)CN(Cc1ccccn1)C(=O)N[C@H]1CC12CCOCC2 1615615961 VQJNTKAOKSEISG-INIZCTEOSA-N 317.433 2.818 0 50 DFAA O=C(O)c1csc(C2CCN(C(=O)OCCCF)CC2)n1 1616039456 NRHDDQKURPDQJH-UHFFFAOYSA-N 316.354 2.517 0 50 DFAA CSCCN1CCC(N[C@H](C)CN2CCCCCC2)CC1 1506420899 DKXMTBZIHPQDQL-MRXNPFEDSA-N 313.555 2.668 0 50 DFAA CC(C)c1ccc(N2CCN(c3ncccc3Cl)CC2)nn1 1506420360 AADBILHHDJKNGO-UHFFFAOYSA-N 317.824 2.975 0 50 DFAA COc1ccc(Br)c(C(=O)NCC2(CF)CC2)c1 408516669 NENLWYVGOXKQCM-UHFFFAOYSA-N 316.170 2.937 0 50 DFAA Cn1ccc(NC(=S)Nc2ccc(Br)cc2)n1 13330358 ZHNXQTCQKLBGCG-UHFFFAOYSA-N 311.208 2.992 0 50 DFAA O=C(NCC1CCC(C(=O)O)CC1)c1cc2ccccc2[nH]1 13691313 NUBMWSNTHYFSAV-UHFFFAOYSA-N 300.358 2.789 0 50 DFAA O=C1CS[C@H](c2ccc(F)cc2)N1CCN1CCCCC1 15659706 XTZXUYTXFQFHPB-MRXNPFEDSA-N 308.422 2.886 0 50 DFAA CC(C)CN(CC(C)C)C(=O)Cn1c(CO)nc2ccccc21 15922142 NCDPQMKINVNMEK-UHFFFAOYSA-N 317.433 2.669 0 50 DFAA COC(=O)[C@H](Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 16667241 UITMGPLUYTZFGJ-INIZCTEOSA-N 318.394 2.553 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(C)nc1C 1857673002 COYLSQWGWDOFSE-DXCKQFNASA-N 302.374 2.556 0 50 DFAA Cn1c(=O)c(-c2nccn2[C@@H]2CCC[C@@H](O)C2)cc2ccccc21 1857704235 JQTIKLBOBYNPJR-HUUCEWRRSA-N 323.396 2.878 0 50 DFAA C[C@@H]1CNCCN1C(=O)c1cnc(-c2ccccc2Cl)s1 124496159 HZYHMGAURRPKEE-SNVBAGLBSA-N 321.833 2.897 0 50 DFAA COc1cccc([C@@H](C)CC(=O)N2CC[C@](C)(C(=O)O)C2)c1 237302265 MMRSPGFHVUSCBU-SJCJKPOMSA-N 305.374 2.512 0 50 DFAA C[C@H]1CCCN(C(=O)CCc2ccc(Cl)s2)[C@@H]1CN 237691970 RYLJSAAPBJRSHK-CMPLNLGQSA-N 300.855 2.920 0 50 DFAA CCOC(=O)c1c(C)noc1NC(=O)NCc1ccccc1C 240412640 FNNCDYQDUWDPSO-UHFFFAOYSA-N 317.345 2.790 0 50 DFAA O=C(c1ccc(NCCn2cc(Cl)cn2)cc1)N1CCCC1 453055629 CVIHHHRKBHROAV-UHFFFAOYSA-N 318.808 2.885 0 50 DFAA C[C@@H]1OC(=O)N[C@@H]1c1nc(-c2ccc(Br)cc2)no1 585133504 JXAMIHOZSROVIY-RCOVLWMOSA-N 324.134 2.669 0 50 DFAA O=C(Nc1ccc(C2CCC2)cn1)N[C@H]1CCN(CC(F)F)C1 931575028 SLPCIKSWSVMWGU-ZDUSSCGKSA-N 324.375 2.810 0 50 DFAA O=C(NCc1cocn1)c1cc(Br)cnc1C1CC1 932279378 YTHBBDMIFXKZNM-UHFFFAOYSA-N 322.162 2.640 0 50 DFAA c1ccc2c(c1)nc(N[C@H]1CCOC3(CCCC3)C1)c1nnnn12 1119947968 YQWQUEFHOBJHDW-LBPRGKRZSA-N 324.388 2.576 0 50 DFAA CN1CCN(C(=O)Nc2c(Cl)ccc3ncccc23)CC1 1875296602 FPUIYOCTIMVKPM-UHFFFAOYSA-N 304.781 2.668 0 50 DFAA Cc1cc(NC(=O)[C@H]2CC(=O)NC2(C)C)c2cccnc2c1C 1875293670 YVHCMAHAUXWMFP-CYBMUJFWSA-N 311.385 2.705 0 50 DFAA CCOCc1cc(C(=O)NC[C@H](O)CCC2CC2)ccc1OC 1875299617 PZCHVSRUJJISDJ-MRXNPFEDSA-N 321.417 2.513 0 50 DFAA CC1(c2cccc(Nc3nccc(=NC4CCNCC4)[nH]3)c2)CC1 1875335208 WLZVQURDHGFHHG-UHFFFAOYSA-N 323.444 2.858 0 50 DFAA C[C@H](CCNC(=O)OC(C)(C)C)C[C@@H](C)NCCn1cccn1 888098529 KEOWBVHGEGJEEX-HUUCEWRRSA-N 324.469 2.802 0 50 DFAA C[C@@H]1CN(C2CC2)CCN1Cc1c[nH]nc1-c1cccc(F)c1 2100556777 RZLXMVUQRMDUBD-CYBMUJFWSA-N 314.408 2.884 0 50 DFAA CCc1c(NC(=O)C[C@](C)(O)COC)cnn1C(CC)CC 2325784685 CGRSSDVHAYLHTM-INIZCTEOSA-N 311.426 2.533 0 50 DFAA Cc1cccnc1[C@@H]1CCN(C(=O)c2noc3c2CCCC3)C1 2325808664 SBKUNIKNMSLHGQ-CYBMUJFWSA-N 311.385 2.887 0 50 DFAA CN(Cc1c[nH]nc1-c1cnn(C)c1)C1CCC(F)(F)CC1 2325829372 HYOGIFKHOYJNEC-UHFFFAOYSA-N 309.364 2.820 0 50 DFAA CC(C)CO[C@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1(C)C 2325854776 UILKJZBRLAWPOL-CVEARBPZSA-N 315.417 2.904 0 50 DFAA O=C(Nc1nonc1NC(=O)c1ccccc1)c1ccccc1 236275 AXQDAITZIHXEPM-UHFFFAOYSA-N 308.297 2.574 0 50 DFAA Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1 310399 KSKCSBOTTIIURV-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA COC(=O)c1ccccc1NC(=O)NCCc1ccc(F)cc1 609683 HGXKFMGSJSLDOD-UHFFFAOYSA-N 316.332 2.977 0 50 DFAA O=C(c1cc2cc(Br)ccc2oc1=O)N1CCCC1 615481 RGAHLHUIIUOBRA-UHFFFAOYSA-N 322.158 2.792 0 50 DFAA CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 617797 GHDYKZGZQSTMOA-UHFFFAOYSA-N 312.325 2.669 0 50 DFAA COC(=O)c1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1 1162700 DRACKUHWKQYHSK-UHFFFAOYSA-N 304.273 2.840 0 50 DFAA COc1ccc(OC)c(S(=O)(=O)N(C)C2CCCCC2)c1 1803033 AZDFWVYICCPFKK-UHFFFAOYSA-N 313.419 2.657 0 50 DFAA Cc1nnc(SCC(=O)NCc2ccccc2Cl)s1 3389262 KPGRKCGTCVNELJ-UHFFFAOYSA-N 313.835 2.908 0 50 DFAA c1ccc2c(c1)nc(NCc1ccc3c(c1)OCO3)c1nncn12 4709816 XRHDGBYEEUBNOB-UHFFFAOYSA-N 319.324 2.618 0 50 DFAA CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 4755552 JPZYMRHSACSPHH-OLZOCXBDSA-N 304.302 2.590 0 50 DFAA CC(=O)Nc1ccc(NC(=O)COc2ccc(F)cc2)cc1 6336483 WYVVHRWISFYIEL-UHFFFAOYSA-N 302.305 2.802 0 50 DFAA CN[C@H]1CCCN(C(=O)/C=C/c2ccc(Br)cc2)C1 133677899 WBCGCPUKWMWPTJ-MRZGDXHCSA-N 323.234 2.673 0 50 DFAA C[C@@H]1Cc2ccccc2N1C(=O)Cn1oc2ccccc2c1=O 225793243 CABJQPSRTILKER-GFCCVEGCSA-N 308.337 2.572 0 50 DFAA c1ccc(-n2nnnc2COc2cccc3cccnc23)cc1 9305407 AOTQGLZXFZAQNI-UHFFFAOYSA-N 303.325 2.790 0 50 DFAA Cc1nsc(NC(=O)N2CCC[C@H](Cc3cccnc3)C2)n1 55244905 RSAKVADMIDLLBV-CYBMUJFWSA-N 317.418 2.728 0 50 DFAA COc1cc(OC)c(OC)cc1C[C@@H]1C(=O)Nc2ccccc21 100793475 YEIMZWPASKCWHW-ZDUSSCGKSA-N 313.353 2.991 0 50 DFAA biogenic C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1 248080464 PJQUDZOAWPQUOM-YCPHGPKFSA-N 312.417 2.952 0 50 DFAA COc1cc(-c2cccc3c2O[C@@H](CN)C3)cc(OC)c1OC 67919729 JPJMUHQWKVLRNH-CYBMUJFWSA-N 315.369 2.642 0 50 DFAA CCN1CCN(CCCOc2ccc(Cl)cc2C=O)CC1 20406483 DAVHUPUGOBBXMI-UHFFFAOYSA-N 310.825 2.559 0 50 DFAA CN(CCc1ccccn1)Cc1cc2ccc(F)cc2[nH]c1=O 67983413 QKHVFDJCEXXRIW-UHFFFAOYSA-N 311.360 2.737 0 50 DFAA COc1cccc(-c2nnc(CN3C[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]43)o2)c1 252669541 HVKILHOUHFRUGS-VGWHQZGPSA-N 311.385 2.976 0 50 DFAA C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1 2014184 YJQZYXCXBBCEAQ-UGSOOPFHSA-N 301.386 2.742 0 50 DFAA biogenic,in-man COc1ccc(-c2cnnc(N[C@@H](C)Cc3cccnc3)n2)cc1 12436416 GTJDQFYUWFCJKH-ZDUSSCGKSA-N 321.384 2.985 0 50 DFAA Cn1cc(CCNc2nncc(-c3cc4ccccc4o3)n2)cn1 12441261 MWQHSBBELJBKON-UHFFFAOYSA-N 320.356 2.673 0 50 DFAA COCCN1C[C@]2(CCCN(Cc3ccccc3)C2)CCC1=O 77535633 JAWZJIZPWZJHOH-LJQANCHMSA-N 316.445 2.538 0 50 DFAA Cc1cc(Cc2noc(C[C@@H]3CCO[C@H](C(C)C)C3)n2)no1 329647762 DZACUVHMFYWUFE-OCCSQVGLSA-N 305.378 2.951 0 50 DFAA C[C@H](CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C1CC1)C(=O)O 253370451 RBHSQCMDEQAFDD-LQJRIPTKSA-N 323.339 2.780 0 50 DFAA Cc1nn(C)c2ncc(/C=C/c3cc(O)nc(C4CC4)n3)cc12 253425546 DWOGWPILBMNHJW-ZZXKWVIFSA-N 307.357 2.820 0 50 DFAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCNC(=O)C1 71479640 PLULRVMVYWGKBM-UHFFFAOYSA-N 321.380 2.735 0 50 DFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCc1ccncc1 72433510 SYZFZMVOSHNCHE-UHFFFAOYSA-N 320.396 2.859 0 50 DFAA C[C@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)C[C@@H](C)N1 154020331 WBBXRIGXEHQFJL-TXEJJXNPSA-N 314.351 2.847 0 50 DFAA O=C1NCCN1c1cc(NCc2cccnc2)ccc1Cl 341526375 QIUQEFMLUGBHBE-UHFFFAOYSA-N 302.765 2.877 0 50 DFAA Cc1ccc(C)c(Cn2ccnc2-c2cc3n(n2)CCCNC3)c1 72436053 IVVFQYAAPSOQPE-UHFFFAOYSA-N 321.428 2.905 0 50 DFAA C[C@@H](CC(=O)NC(=N)NCCCc1ncc[nH]1)C1CCCCC1 71773519 FIMXKRNPMASEEN-ZDUSSCGKSA-N 319.453 2.589 0 50 DFAA Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c(C)n1 156218945 QLLWNMMSTQICQA-SMDDNHRTSA-N 317.433 2.968 0 50 DFAA CCc1cnc(N2CCN(C(=O)[C@@H](C)C(C)(F)F)CC2)s1 340808634 ZGLVXFIMAWVYTC-SNVBAGLBSA-N 317.405 2.645 0 50 DFAA CC(C)[C@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)C(F)(F)F 492191038 YFBDVFLJITZMAO-ZJUUUORDSA-N 324.343 2.699 0 50 DFAA O=C(c1ccc[nH]1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 375997780 CIPZMRUVUHMUSW-CQSZACIVSA-N 309.369 2.580 0 50 DFAA CNC[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2OC)C1 159025417 GUQOUAHTZDSVCN-LJLILKBBSA-N 322.836 2.820 0 50 DFAA CCNc1nc(C)c(C(=O)NCc2cc(C(C)C)no2)s1 215746433 MWPRDDPXPQPKGK-UHFFFAOYSA-N 308.407 2.925 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(F)c1 77424589 PNQYPCVSDVYKAP-CQSZACIVSA-N 309.381 2.882 0 50 DFAA CCc1ncnc(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1F 284591099 QCSRKDHGTUIFQT-WFASDCNBSA-N 319.384 2.898 0 50 DFAA CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2Cl)CC1 41701547 AHXKEIKOXAWOMF-UHFFFAOYSA-N 311.813 2.979 0 50 DFAA CC(=O)c1ccc(N2CCC(c3nncn3C(C)C)CC2)nc1 180298680 SAONHJUCZHLQJS-UHFFFAOYSA-N 313.405 2.841 0 50 DFAA Cn1ccnc1SCCNC(=O)C[C@H]1CCc2ccccc21 91305982 PXHLJLMTWCIDCU-CQSZACIVSA-N 315.442 2.749 0 50 DFAA CCc1nc(C)c(C(=O)NC[C@H]2CCOc3ccccc3C2)o1 97522574 REPWQINYIXPLKP-ZDUSSCGKSA-N 314.385 2.917 0 50 DFAA CCc1ncsc1C(=O)N(C)C[C@H]1COc2ccccc2O1 178744198 QHQMNXFWGPGYCI-NSHDSACASA-N 318.398 2.618 0 50 DFAA Cc1ccc(-c2n[nH]cc2CN2CCS[C@@H]3COCC[C@H]32)o1 230181765 IWHYDJZQOGBHTM-UKRRQHHQSA-N 319.430 2.684 0 50 DFAA COc1cccc(Cn2ncnc2[C@@H](C)n2cc(Cl)cn2)c1 91518979 PBIVWVPFGCCYER-LLVKDONJSA-N 317.780 2.794 0 50 DFAA O=C(Cn1cc(-c2ccccc2-c2ccccc2)nn1)NC1CC1 91707608 BXRFXVVQDDEEBS-UHFFFAOYSA-N 318.380 2.891 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)s1 237998134 JQLVPRVNMRMSCB-SNVBAGLBSA-N 323.395 2.722 0 50 DFAA CCCN(CCO)CCC(=O)Nc1ccc(F)c(Cl)c1 244817004 SSSCPKBJGGNGDC-UHFFFAOYSA-N 302.777 2.512 0 50 DFAA Cc1cccc(CS(=O)(=O)N[C@@H](C)c2csc(C)n2)c1 341222210 RHUBOXOZYNSLAQ-NSHDSACASA-N 310.444 2.941 0 50 DFAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)n1ccnc1 263640009 SQRUORHZXTXCFZ-UHFFFAOYSA-N 304.659 2.708 0 50 DFAA CCOc1ccc(OCc2nc(-c3ccc(CO)o3)n[nH]2)cc1 823380052 KDPHZULJRCGNNR-UHFFFAOYSA-N 315.329 2.535 0 50 DFAA CCO[C@H](CCNC(=O)NCC1CSC1)C1CCCC1 585137282 QKDSSRHKMCQYCK-CQSZACIVSA-N 300.468 2.634 0 50 DFAA C[C@H]1CN(C(=O)c2ccccc2N2CCCC2)C[C@]1(O)C1CC1 1565515188 PCJOSLAYBBHKQI-IFXJQAMLSA-N 314.429 2.520 0 50 DFAA O=C(O)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 630155264 DRJVRVLTJFPHTC-UONOGXRCSA-N 307.415 2.955 0 50 DFAA COc1cncc(C(=O)Nc2ccccc2)c1[Si](C)(C)C 169794057 DANYRTOROYBZFN-UHFFFAOYSA-N 300.434 2.888 0 50 DFAA in-vitro O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccoc1Cl 277761049 OMWXEBDRRRBNAO-QWHCGFSZSA-N 306.749 2.978 0 50 DFAA CCN1C(=O)CCc2cc(NC(=O)Cc3cccc(O)c3)ccc21 170595262 QFMXNTKJVBVFII-UHFFFAOYSA-N 324.380 2.873 0 50 DFAA COc1ccc(CNC(=O)c2cc(F)c(O)c(Cl)c2)cn1 170597762 BLSAHDJTPRKGSX-UHFFFAOYSA-N 310.712 2.518 0 50 DFAA Cc1nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c(C)s1 170686601 FPHXSHGJIHUZNP-UHFFFAOYSA-N 304.371 2.761 0 50 DFAA Cc1sc2nc(CN3CCC[C@@H](C)[C@H]3CO)nc(O)c2c1C 305660026 FZHLZXJQMUWTRE-BXKDBHETSA-N 321.446 2.607 0 50 DFAA Cc1cnc(N2CCC[C@@H](n3cncn3)C2)c(Br)c1 194317815 NSGAQUYQJVWQCM-LLVKDONJSA-N 322.210 2.586 0 50 DFAA Cc1ccnc(NCCCc2nc(-c3ccccn3)cs2)n1 585092315 OVHRIRMRJAJPFJ-UHFFFAOYSA-N 311.414 3.348 0 50 DFAA CCOc1ccc(NS(=O)(=O)C[C@H](OC)C(C)C)c(C)c1 585089175 ZFTKJFBVMAKBKL-HNNXBMFYSA-N 315.435 2.806 0 50 DFAA C[C@H]1C[C@H](C(=O)N2CCC(N3CCOCC3)CC2)CC(C)(C)C1 585123857 HQPBVGILBKQBNZ-HOTGVXAUSA-N 322.493 2.772 0 50 DFAA CCn1c(SCOC(=O)CC(C)C)nnc1-c1cccnc1 585118932 IYTCHZNKUBEZBI-UHFFFAOYSA-N 320.418 2.999 0 50 DFAA C[C@@H]1C[C@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 788076477 DIMDNXCOVMWRRI-OCCSQVGLSA-N 306.369 2.651 0 50 DFAA CCc1ccc([C@@H](CO)NC(=O)c2cccc3c2OCC3)cc1 1614998793 BRDRUDCZVZMUIC-QGZVFWFLSA-N 311.381 2.647 0 50 DFAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1conc1C1CCCC1 1615555631 VMTPUDJMHZQTEP-HZPDHXFCSA-N 311.385 2.687 0 50 DFAA Cc1[nH]c2ccccc2c1C(=O)N1CC[C@H](c2ncccn2)C1 1645330442 RZHWGFZEZAVDSF-ZDUSSCGKSA-N 306.369 2.896 0 50 DFAA Cc1cc(F)ccc1N1CCC(N[C@@H](C)c2ncnn2C)CC1 1506418848 VUJXRRKBQLUINB-ZDUSSCGKSA-N 317.412 2.582 0 50 DFAA Cc1cc(C)c(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1C 1704337315 QLMKKMBOLCWNOS-UHFFFAOYSA-N 314.433 2.539 0 50 DFAA Cc1ccc2c(C(=O)NCc3n[nH]c4c3CCCCC4)cnn2c1 1772703568 YEBMNPOCUXSKQJ-UHFFFAOYSA-N 323.400 2.565 0 50 DFAA CC(C)Cc1ccc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1 1772707292 XMELBWVCTIFREP-PBHICJAKSA-N 314.429 2.720 0 50 DFAA CCOC(=O)c1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2 5644396 UFJGFNHRMPMALC-UHFFFAOYSA-N 319.316 2.916 0 50 DFAA biogenic,in-vitro COc1ccccc1Oc1ncccc1CNC(=O)CSC 11821690 BIECFPNHZUBVAZ-UHFFFAOYSA-N 318.398 2.862 0 50 DFAA COC1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 12300210 ONJJDRLYKMIPHH-UHFFFAOYSA-N 321.808 2.925 0 50 DFAA COCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C 14953165 QIAUJJDLKYZTEM-OAHLLOKOSA-N 313.401 2.629 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@](Cc2ccncc2)(C(=O)O)C1 15020821 JIPBPJZISZCBJQ-QGZVFWFLSA-N 320.389 2.726 0 50 DFAA Cc1cccc2cc(-c3nccn3Cc3nccn3C)c(O)nc12 1857683897 QLCCKLLMOXMFOR-UHFFFAOYSA-N 319.368 2.894 0 50 DFAA CC(C)(C(=O)Nc1cccc(CC(=O)O)c1)[C@H]1CCCCO1 630143485 GGGONKOMIYWISV-CQSZACIVSA-N 305.374 2.848 0 50 DFAA Cc1cc(C)c2c(n1)nn1c(NC[C@@H]3CCCO3)cc(C)nc21 2215981 GMOHFHNTEACRTR-ZDUSSCGKSA-N 311.389 2.794 0 50 DFAA CCCC[C@H](C)C(=O)N1CCN(c2cc(C)nc(C)n2)CC1 225733663 QMKXRWFXRJHFFO-ZDUSSCGKSA-N 304.438 2.568 0 50 DFAA CC[C@H](OC1CCCC1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 236994142 QJXSTHXUKRNTDW-ZFWWWQNUSA-N 311.422 2.828 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)o1 238037903 HMPAYLVCZLFMJP-JTQLQIEISA-N 321.716 2.885 0 50 DFAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@H](N)C2)c1 152247474 BUNQVWRLIHYXSX-ZDUSSCGKSA-N 311.385 2.612 0 50 DFAA Cc1cc(C)cc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)c1 952993225 SKVPBUGQSBRNNV-UHFFFAOYSA-N 322.474 2.883 0 50 DFAA COc1ccc2c(c1)[C@@H](C)CN(S(=O)(=O)[C@H]1CC1(C)C)CC2 1875357998 FHTMCEZWDFJANB-LRDDRELGSA-N 323.458 2.785 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)/C=C(\C)C2CC2)C1 888103259 SKPMVUCSPPBPBV-AEOIHIIDSA-N 303.406 2.671 0 50 DFAA C[C@H]1CN(c2ccncc2)CCN1C(=O)c1ccc(F)c(F)c1 895277687 LNKIBSDQIVKXMM-LBPRGKRZSA-N 317.339 2.711 0 50 DFAA Cc1nn(C(C)C)c(C)c1NC(=O)N1[C@H]2CC[C@@H]1CN(C)CC2 1776007497 GWWKTQRTGBYQDQ-LSDHHAIUSA-N 319.453 2.781 0 50 DFAA O=C(Cc1cnccc1C(F)(F)F)N1C[C@@H]2C[C@@]2(C(F)F)C1 1776008228 WDGFGVPYXDCIDX-TVQRCGJNSA-N 320.261 2.757 0 50 DFAA C[C@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1cccnc1F 2325780883 WDTRLMHCEMZYIJ-SJKOYZFVSA-N 303.333 2.819 0 50 DFAA Cc1nnsc1CN1C[C@H](C(=O)O)CCC12CCCCC2 2325791919 ITUFKWVJJRTCEP-GFCCVEGCSA-N 309.435 2.846 0 50 DFAA CCc1cc(O)nc(-c2ccc(N3CCC(F)CC3)nc2)n1 882807208 LRUYQDVEZBPPLF-UHFFFAOYSA-N 302.353 2.745 0 50 DFAA O=C(NC1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 310214 JLMZSDFAJXIYRJ-UHFFFAOYSA-N 318.392 2.737 0 50 DFAA COc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 471458 CATXMVJAAPAXKH-UHFFFAOYSA-N 300.314 2.746 0 50 DFAA Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1 582584 GXBHJZLXQCFXJQ-UHFFFAOYSA-N 318.398 2.512 0 50 DFAA O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1 2748110 IQFQBEILRFGGPW-UHFFFAOYSA-N 318.336 2.981 0 50 DFAA COCCNCCOCCOc1ccc(Cl)c(Cl)c1 3002257 DUWZDEMOSDJRMC-UHFFFAOYSA-N 308.205 2.625 0 50 DFAA O=C(NCCc1ccccc1)C(=S)NCCc1ccccc1 4807436 PHCNUANFWNZZBR-UHFFFAOYSA-N 312.438 2.505 0 50 DFAA COc1ccc(NC(=O)NCc2ccc(C(=O)O)cc2)cc1 6725831 JUWCSZOCNNPQSV-UHFFFAOYSA-N 300.314 2.715 0 50 DFAA O=C(COCc1cc(-c2ccco2)on1)NC1CCCCC1 6876624 LQTDMSSNAILJEY-UHFFFAOYSA-N 304.346 2.900 0 50 DFAA CCN(CC(=O)Nc1ccc(OC)cc1)C[C@@H]1CCCCO1 7290435 VBDKPLCUBNFCNU-INIZCTEOSA-N 306.406 2.525 0 50 DFAA O=C(c1ccco1)N1CCC(Nc2ccnc(C3CC3)n2)CC1 110126307 NLSWRKKIPDQRBR-UHFFFAOYSA-N 312.373 2.664 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101319133 WNAWNHNQFKZKPV-QRTARXTBSA-N 302.393 2.772 0 50 DFAA O=C(NCC[C@H]1CCCN(Cc2ccncc2)C1)c1ccco1 67654469 YACGVEASPRYLOK-OAHLLOKOSA-N 313.401 2.707 0 50 DFAA CN1CC[C@H]2CN(Cc3cnc(C4CCCCC4)nc3)C[C@H]21 215363767 FDKSGVZAOQPKCZ-DLBZAZTESA-N 300.450 2.660 0 50 DFAA CN(C)c1nccnc1N[C@H]1CCCN(Cc2ccccc2)C1 302200477 ROGLKMHBOJZYEV-INIZCTEOSA-N 311.433 2.619 0 50 DFAA CCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)Cc1ccon1 252537467 LGTJPFBHFJQNFV-UHFFFAOYSA-N 319.386 2.508 0 50 DFAA Cc1cccc(OC2CCN(C(=O)c3cnc(C)nc3)CC2)c1 77523180 NFCGSZGHMSZJSP-UHFFFAOYSA-N 311.385 2.777 0 50 DFAA CNC(=O)CC[C@@H]1CCCCN1C(=O)NC1CCCCCC1 332241025 ACLYONHEXPPQLY-HNNXBMFYSA-N 309.454 2.800 0 50 DFAA COC1(CC(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)CCC1 364512231 MIAHQQQWMVHUKW-CQSZACIVSA-N 305.422 2.917 0 50 DFAA O=C(Cc1cnc2ccccn12)N1C[C@H]2C3CCC(CC3)[C@H]2C1 71748546 QIZJDXUBVDPYAI-KZNFOHLHSA-N 309.413 2.771 0 50 DFAA Cc1c(N[C@@H]2CCC[C@H]2[C@@H]2CCCN2)cnn1C1CCOCC1 333794848 GUIKQCSSBXGHOC-YESZJQIVSA-N 318.465 2.876 0 50 DFAA Cc1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)c2c1CCC2 449936220 CEMUISRLRICAPJ-CYBMUJFWSA-N 301.308 2.527 0 50 DFAA O=Cc1ccc(Br)c(I)c1 71793113 ZFZAZPMPNMBBIZ-UHFFFAOYSA-N 310.916 2.866 0 50 DFAA COc1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)ccc1F 178008815 OFHLLSZNNPARFB-LLVKDONJSA-N 309.337 2.551 0 50 DFAA C[C@H](C(=O)NCc1ccccn1)n1ccnc1-c1ccccc1 133152729 UXESOXJYPHZWFK-CQSZACIVSA-N 306.369 2.823 0 50 DFAA CCN(C(=O)CCc1c(C)nn(C)c1C)[C@@H]1CCOC(C)(C)C1 82120287 BRDWMGZLLBGDSG-OAHLLOKOSA-N 321.465 2.776 0 50 DFAA COc1cc2ncnc(Cl)c2cc1I 44124259 VGUHUPXWUUVYHC-UHFFFAOYSA-N 320.517 2.896 0 50 DFAA Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccsc3)CC2)no1 328635363 NHYNZVLIMLVNBJ-OAHLLOKOSA-N 320.462 2.926 0 50 DFAA O=C(COC[C@@H]1CCCCO1)N1CCc2c(Cl)cccc2C1 220208063 BFBSHMKRBULBES-AWEZNQCLSA-N 323.820 2.810 0 50 DFAA CCc1cc(Cn2ccc3c(OC)c(OC)ccc3c2=O)on1 95389380 PRDCGXIRUHGUNH-UHFFFAOYSA-N 314.341 2.617 0 50 DFAA Cc1cccc2nc(CNc3ncnc4c3ncn4C3CC3)cn12 292802619 RILBKXULOCKZRS-UHFFFAOYSA-N 319.372 2.729 0 50 DFAA CC(C)[C@H]1C=CCN1C(=O)NCc1cc(-c2cccnc2)no1 426487243 APSBSGHJQPZKEG-MRXNPFEDSA-N 312.373 2.843 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)NCC[C@H](C)n1ccnc1 91382255 HNIIMHJBHGOUTG-ZDUSSCGKSA-N 303.410 2.604 0 50 DFAA CC[C@H](C(=O)NCCc1nc(C)c(Cl)s1)n1cccn1 91780578 VVVSCOMYGCVWTM-SNVBAGLBSA-N 312.826 2.611 0 50 DFAA CCOc1ccc(C[C@@H]2COc3cc(OC)ccc3C2)nn1 95388303 WVIHLINJZSVUPI-GFCCVEGCSA-N 300.358 2.678 0 50 DFAA CN(CCCc1nccn1C)C[C@H]1CCOc2ccccc2C1 95522743 VJLYATXQTXJVID-INIZCTEOSA-N 313.445 2.926 0 50 DFAA CN1CCC(N2CCN3CCC[C@H]3[C@H]2C2CCCCC2)CC1 244874284 WYGYCTLJQPBISB-RBUKOAKNSA-N 305.510 2.810 0 50 DFAA O=C(NCCC(=O)N1CCCCCC1)N[C@@H]1CC12CCCCC2 180326724 NGHLCZKLANQSKF-OAHLLOKOSA-N 321.465 2.801 0 50 DFAA CC(C)(C)N1C[C@@H](C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)CC1=O 344112391 IVZILXFLAJGOAZ-LXINESAQSA-N 318.461 2.671 0 50 DFAA O=C(N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1)c1ccco1 243893743 ATPCGKROPLBSAL-XDMRBOTDSA-N 307.296 2.800 0 50 DFAA CS(=O)(=O)[C@H]1CCC[C@@H]1NCCc1csc2ccccc12 182667697 KFKOXIINUCHQEQ-HOCLYGCPSA-N 323.483 2.999 0 50 DFAA COCc1ccc(C(=O)N[C@@H](c2nccn2C)C(C)C)cc1 534582829 BHAONSLXBMRMGN-OAHLLOKOSA-N 301.390 2.694 0 50 DFAA CC(C)n1cc(C(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)cn1 299754491 XZRHUZAGEQSYBJ-RDJZCZTQSA-N 318.465 2.801 0 50 DFAA biogenic CCc1nccn1CCCNC(=O)CSc1nc(C)cs1 823557367 OGSAQVNRQLUOCF-UHFFFAOYSA-N 324.475 2.509 0 50 DFAA OC[C@H](Cc1cncs1)Nc1ccc(C(F)(F)F)cn1 585136749 RFBDFWVOUWNCHD-VIFPVBQESA-N 303.309 2.572 0 50 DFAA Cc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)oc1C 1337320057 OQGYNUJRZYNHMY-QGZVFWFLSA-N 322.368 2.802 0 50 DFAA COc1c(C)cnc(CN(C)C(=O)c2cc(C)sn2)c1C 278111389 ZQPINQCPHMHQHP-UHFFFAOYSA-N 305.403 2.744 0 50 DFAA CCC[C@@]1(C)NC(=O)N(C[C@@H](C)Oc2cccc(OC)c2)C1=O 170592656 RFXTXHSKTAPBGE-SJKOYZFVSA-N 320.389 2.573 0 50 DFAA O=C1CC[C@@H](c2cccc(NC(=O)c3ccnc(C4CC4)n3)c2)N1 665661249 XULZVUPDEOOVJM-AWEZNQCLSA-N 322.368 2.557 0 50 DFAA Cc1cc(N2CCC=C(Cl)C2)n2nc(C(F)(F)F)nc2n1 585092781 NIXOKQGZSLTLTM-UHFFFAOYSA-N 317.702 2.784 0 50 DFAA CC[C@H]1CN(CC)CCN1C(=O)c1ccnc(C2CCCC2)n1 1615566007 HCTGCKUASHSGIS-HNNXBMFYSA-N 316.449 2.691 0 50 DFAA Nc1ccc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cn1 1529173000 KQDOHBHNZDRJNN-DLBZAZTESA-N 323.396 2.656 0 50 DFAA C[C@@H]1Cc2cc(-n3ccnc3-c3cnn4cccnc34)ccc2O1 1772808060 XZFATQFPBSUEMJ-GFCCVEGCSA-N 317.352 2.905 0 50 DFAA Cc1[nH]c2c(CN3C[C@@H]4COCC[C@]4(CO)C3)cccc2c1C 1772700759 DOWJNZMEGPMBGX-VQIMIIECSA-N 314.429 2.616 0 50 DFAA CCOC(=O)c1cc(Br)cc(C(=O)OCC)c1 5858045 ZDFHATYWKREQJF-UHFFFAOYSA-N 301.136 2.803 0 50 DFAA CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 5002855 LMYKBKQUNUJHJG-RVDMUPIBSA-N 314.772 2.857 0 50 DFAA O=C(NCCCN1CCCC1)c1ccc(N2CCCCC2)cc1 13668381 VXCFUOJYYDSJFQ-UHFFFAOYSA-N 315.461 2.893 0 50 DFAA CCOc1ccc2c(c1)/C(=C1/SC(=S)N=C1O)C(=O)N2 13799919 YSHPCINAPLAPDZ-KTKRTIGZSA-N 306.368 2.737 0 50 DFAA O=S(=O)(Cc1ccccc1F)Nc1ccc2c(c1)OCCO2 16579715 ANKISLALZPYPEM-UHFFFAOYSA-N 323.345 2.539 0 50 DFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 16602541 CPZPSYHRMWRDJE-GFCCVEGCSA-N 310.825 2.626 0 50 DFAA Oc1ccccc1C(=S)N1CCN(Cc2ccccc2)CC1 19842158 HLHBICLVLHZTPL-UHFFFAOYSA-N 312.438 2.886 0 50 DFAA C[C@@H]1CCC[C@@H](N2CCN(C(=O)Cc3ccccc3)CC2)C1 19913645 ZATYPZMRWGVSKI-SJLPKXTDSA-N 300.446 2.952 0 50 DFAA CS(=O)(=O)c1ccc(Br)c(Br)c1 154120 JGENMUVSNPGICT-UHFFFAOYSA-N 313.998 2.615 0 50 DFAA in-vitro CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21 630135377 MJEUTHWDYMCDDH-FGTMMUONSA-N 321.376 2.929 0 50 DFAA Cc1cccc2c(CCC(=O)N3CC[C@@](C)(C(=O)O)C3)c[nH]c12 237760656 OBPVRBDZGRZKCS-GOSISDBHSA-N 314.385 2.732 0 50 DFAA OC1(C(F)(F)F)CCC(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 239527571 ATDACXYFSIQLSB-YGFYLSKRSA-N 319.367 2.770 0 50 DFAA CN1[C@H]2CC[C@@H]1CCN(Cc1nn(C)c3cccc(Cl)c13)C2 248006014 CBRYGSSAFLWKDG-OLZOCXBDSA-N 318.852 2.895 0 50 DFAA CCn1nc(C)cc1C(=O)N=[S@@](C)(=O)c1ccc(F)cc1 952880170 UMBZRWNTBLIMQV-NRFANRHFSA-N 309.366 2.648 0 50 DFAA Cc1cc(C(=O)NCC2CC2)c2c(C)nn(C(C)(C)C)c2n1 1875252662 QYAWKPBQCYBPRS-UHFFFAOYSA-N 300.406 2.943 0 50 DFAA COc1cccc2c(N3CCC(c4cn[nH]c4)CC3)ncnc12 1875273246 JFFHTTJDOWRPOY-UHFFFAOYSA-N 309.373 2.746 0 50 DFAA NC(=O)c1ccc(-c2cnc(Oc3ccc(O)cc3)nc2)cc1 1875326755 TXVJEOJGSBNBHA-UHFFFAOYSA-N 307.309 2.740 0 50 DFAA CC[C@]1(C)C=C(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1 1775998284 VAVOPFODYLUYMT-QGZVFWFLSA-N 321.442 2.959 0 50 DFAA C[C@@]1(Cc2ccccc2)OC(=O)N(Cc2ccccn2)[C@@]1(C)O 1421487 RWFGFBQNXTZVIS-ROUUACIJSA-N 312.369 2.744 0 50 DFAA Cc1cccc2c1C(=O)NCCN2C(=O)C1CC[C@H]2C[C@@H]2CC1 2325767619 DOBVNZMHESADOI-GJZGRUSLSA-N 312.413 2.898 0 50 DFAA N[C@@H]1CC[C@H](C(=O)NC23CCC(F)(CC2)C3)CCC1(F)F 2325779152 JMKOQFAVTXAYNZ-YWBBTBBSSA-N 304.356 2.680 0 50 DFAA CCN([C@H]1CCOC1)S(=O)(=O)c1c(C)ccc2ccccc12 2325793337 QEKNEYVPIBUEEP-HNNXBMFYSA-N 319.426 2.948 0 50 DFAA O=C(CCSCc1cn2ccccc2n1)OC[C@H]1C[C@H]1F 2325806093 SNALXWZLEJCLNP-DGCLKSJQSA-N 308.378 2.859 0 50 DFAA O=C(Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 37588 KOSMMBZKYUNZIU-UHFFFAOYSA-N 304.390 2.779 0 50 DFAA O=C(Nc1nccs1)c1ccc(NC(=O)[C@H]2CCCO2)cc1 201212 DTSUROZEPRGEQF-GFCCVEGCSA-N 317.370 2.513 0 50 DFAA Cc1cc(C)cc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 255752 UGPJXIBBLHQGHT-ZDUSSCGKSA-N 322.364 2.927 0 50 DFAA CN(C(=O)c1cncc(Br)c1)c1ccc(O)cc1 314071 ROUHELPWCSSDBJ-UHFFFAOYSA-N 307.147 2.826 0 50 DFAA O=C(O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 2905295 TXXKPXWEHIPHAF-UHFFFAOYSA-N 312.730 2.806 0 50 DFAA Cc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 2937539 SEHWWADZRBSEGI-OAHLLOKOSA-N 310.397 2.852 0 50 DFAA COCC(C)(C)CC(=O)N1CC[C@@H](n2ncc3ccccc32)C1 412241519 HXNXRECBUIQTOP-OAHLLOKOSA-N 315.417 2.872 0 50 DFAA CC1CCN(S(=O)(=O)Nc2cccc3cccnc23)CC1 8714303 PXGJNYLYQPSNCI-UHFFFAOYSA-N 305.403 2.623 0 50 DFAA C[C@@H]1C[C@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CCO1 225561149 DFUQVUKENWRWCE-SJLPKXTDSA-N 322.493 2.916 0 50 DFAA CCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314514 HPKGBBGLVRJBGK-UHFFFAOYSA-N 318.398 2.627 0 50 DFAA COc1cnccc1-c1noc(Cc2ccc3c[nH]nc3c2)n1 347169951 VRKHXZYBMYKSNT-UHFFFAOYSA-N 307.313 2.607 0 50 DFAA CN(C[C@@H]1CCCCO1)C(=O)c1ccc(CN2CCCC2)o1 67675125 QVFCZQDJEJPAPL-AWEZNQCLSA-N 306.406 2.517 0 50 DFAA COc1ccc([C@@H](c2ccc(F)cc2)N2CCNCC2)cc1 22121132 GLVBLLWAMLAJTR-GOSISDBHSA-N 300.377 2.829 0 50 DFAA Cc1noc([C@H]2CCCCN2Cc2ccc(N(C)C)nc2)n1 215731406 BTSGHAKXYLYOFW-CQSZACIVSA-N 301.394 2.566 0 50 DFAA C[C@H]1C[C@H](CNC(=O)[C@H]2CCCc3cccnc32)C[C@@H](C)O1 281244063 LBLBXXSLVPAXER-FQLMCAECSA-N 302.418 2.821 0 50 DFAA COc1ccc2c(c1)N(C(=O)c1cc(C3CC3)no1)C[C@@H](C)O2 281725269 PLUIATHHVLLZAH-SNVBAGLBSA-N 314.341 2.988 0 50 DFAA CC1(C)[C@H](NC(=O)NCC2(c3ccccc3)CC2)[C@@H]2CCO[C@H]21 230137385 FNQHKHJIYPIDBE-ARFHVFGLSA-N 314.429 2.831 0 50 DFAA O=C(Cc1ccsc1)N1CCC[C@@H](OCc2ccccn2)C1 77355773 SDQUKGHVQSWEEI-MRXNPFEDSA-N 316.426 2.893 0 50 DFAA Cc1cc(C(=O)NCCCn2ccnn2)c2ccc(C)c(C)c2n1 77406166 UGUAFYBXGABMAX-UHFFFAOYSA-N 323.400 2.572 0 50 DFAA Cc1nc2c3ccccc3nc(SCc3cnns3)n2n1 253426033 LTUTXYLPKQWDFS-UHFFFAOYSA-N 314.399 2.730 0 50 DFAA C[C@H](OC[C@@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1 253424848 LPIMSXBLZPSGHJ-RYUDHWBXSA-N 323.355 2.952 0 50 DFAA O[C@H](COc1ccc(Oc2ccccc2)cc1)Cn1ccnn1 328595834 GDYYJGXHTIVBTD-AWEZNQCLSA-N 311.341 2.510 0 50 DFAA CCn1cnnc1[C@@H]1CN(Cc2coc3ccccc23)CCO1 328638134 OYKIELQGKPTNHF-INIZCTEOSA-N 312.373 2.618 0 50 DFAA O=C(CCCn1sc2ccccc2c1=O)Nc1nccs1 36364858 ZSWDSZPNQVMCTJ-UHFFFAOYSA-N 319.411 2.938 0 50 DFAA O=C(NC1CCC(F)(F)CC1)c1ccc(-n2cnnc2)cc1 332256783 BHWCSANLEOEUJY-UHFFFAOYSA-N 306.316 2.575 0 50 DFAA Cc1ccc(N2CCCC2)c(C(=O)N2CCOC[C@@H](C)C2)c1 374382078 ZWRBDXBISVSRIN-HNNXBMFYSA-N 302.418 2.704 0 50 DFAA Cc1ccc([C@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)o1 159234635 FDRNYSBJASJHMP-STQMWFEESA-N 318.377 2.704 0 50 DFAA Cc1nn(C)cc1CN1CCCN(CC2CC2)[C@H](C(C)C)C1 71764555 QAMRHWNTUGGAFN-SFHVURJKSA-N 304.482 2.671 0 50 DFAA C[C@H]1CN(C(=O)c2ccc3c(c2)nnn3C)[C@H]1c1ccccc1 173964737 NDOSDACYKGWCBC-YVEFUNNKSA-N 306.369 2.802 0 50 DFAA CCn1ccnc1[C@@H](Nc1ncc(Cl)cn1)C1CCOCC1 284604827 QDYUGRQERGIGQP-ZDUSSCGKSA-N 321.812 2.926 0 50 DFAA Cc1cccc2c(CCNCc3cccc(C(N)=O)c3)c[nH]c12 174448619 SXMTYQIKCFQMIC-UHFFFAOYSA-N 307.397 2.908 0 50 DFAA Cc1cccc([C@H](NC(=O)N[C@@H]2CCN(C)C2=O)C(C)(C)C)c1 176290113 LBOLXOIGXUHYMV-CABCVRRESA-N 317.433 2.612 0 50 DFAA O[C@H]1CN(Cc2cccc(N3CCOCC3)c2)Cc2ccccc21 82136986 FKZBXYNNWZTKRE-FQEVSTJZSA-N 324.424 2.572 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)CCc1ccc2c(c1)OCO2 46408257 XPRTUSQFEPPRTH-UHFFFAOYSA-N 316.357 2.611 0 50 DFAA Cc1csc(C(C)(C)NC(=O)c2ccc3oc(=O)[nH]c3c2)n1 291409393 AIUYRKFDUKQXRE-UHFFFAOYSA-N 317.370 2.551 0 50 DFAA Cc1nn(C)c2nc(N[C@H](C)[C@@H](O)c3ccc(O)cc3)sc12 95512975 CMVFOHRMSJNYII-PRHODGIISA-N 318.402 2.578 0 50 DFAA Cc1cccc([C@@H](C(=O)NCc2cnc(C)cc2C)N(C)C)c1 95380993 GYOWOSZDYSFAMF-SFHVURJKSA-N 311.429 2.926 0 50 DFAA CN1CCCC[C@@H]1CCC(=O)N1CC(Oc2ccccc2F)C1 95364665 WCODWCGUHJUJBL-CQSZACIVSA-N 320.408 2.680 0 50 DFAA O=C1NCCCc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc21 95367378 NIEDPGFPHQBNKT-UHFFFAOYSA-N 311.263 2.651 0 50 DFAA CSCc1noc(CN2C(=O)CSc3cc(C)ccc32)n1 95379288 OAMDKOPMUNUNGK-UHFFFAOYSA-N 321.427 2.880 0 50 DFAA CCN(CC1CCOCC1)C(=O)Nc1cc(OC)ccc1OC 96165554 AGORFUIFLMCBIU-UHFFFAOYSA-N 322.405 2.984 0 50 DFAA Cc1nc2c(c(N[C@H](C)CN(C)C)n1)Cc1ccccc1OC2 96161554 XCSALXXZUIECBL-GFCCVEGCSA-N 312.417 2.630 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N[C@H](c1ccccc1)c1ccncc1 97759288 FMAPMPZYBCTAKS-LJQANCHMSA-N 320.396 2.870 0 50 DFAA COc1ccc2nc(N3CC[C@@H](n4cc(C)cn4)C3)c(C)nc2c1 293118420 QUORUTSKPOQAPZ-CQSZACIVSA-N 323.400 2.903 0 50 DFAA C[C@]12CC[C@@H]3[C@H]([C@H](O)C[C@H]4C[C@H](O)CC[C@]43C)[C@H]1CCC2=O 257346226 VFPMCLQMAUVEHD-ZUDIUYOUSA-N 306.446 2.930 0 50 DFAA Cc1c(CNC(=O)CN(C)Cc2cccnc2)oc2ccccc12 252501317 UDXHRHPOMDAICM-UHFFFAOYSA-N 323.396 2.884 0 50 DFAA CCOC(=O)Cc1cc(Br)ncc1Br 263623236 FUMSJQSKABOOJI-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA CC(C)c1nnc([C@H](C)NC(=O)c2noc3c2CCCC3)o1 299785852 SAOWIJCZVSKVHO-VIFPVBQESA-N 304.350 2.551 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)NCCCc2c(C)noc2C)c1C 828133726 VTNWKWNCGJQXJS-UHFFFAOYSA-N 317.389 2.802 0 50 DFAA Cc1ccccc1OC[C@H](O)C(=O)NC/C=C/c1ccccc1 952973059 BELMJELVROLGAI-ZBZNSMLMSA-N 311.381 2.564 0 50 DFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2cccc(CN)c2)c1 952987147 JXPCEPVXTXUDGP-ZDUSSCGKSA-N 323.396 2.913 0 50 DFAA CCC[C@@]1(C(=O)OCC)CCCN1C(=O)CCc1ccccn1 278144178 AWQGYPYHDXDNKV-SFHVURJKSA-N 318.417 2.739 0 50 DFAA O=C(c1cc2ncccn2n1)N1CC[C@@H](Cc2ccc(F)cc2)C1 644949618 JROIPTWKNPXVBY-AWEZNQCLSA-N 324.359 2.573 0 50 DFAA O=C(N[C@@H]1CCCOCC1)c1cc(O)ccc1C(F)(F)F 193763531 JKQVRLDBDAAUHD-SECBINFHSA-N 303.280 2.710 0 50 DFAA COc1ccc([C@@H]2CCN(CCC(=O)NC3CCCC3)C2)cc1 195130799 WSMRZJGVXFTFIF-MRXNPFEDSA-N 316.445 2.933 0 50 DFAA CC(C)(C)CN(CC(=O)O)C(=O)c1cc(O)nc2ccccc12 659783993 GCXHDSAPSBRMKZ-UHFFFAOYSA-N 316.357 2.513 0 50 DFAA CC(C)CO[C@@H](C)C(=O)N1CCC(CN)(c2ccccc2)CC1 1615555931 ZYWDSBXNZTUXOG-INIZCTEOSA-N 318.461 2.567 0 50 DFAA O=C(c1cccc(CO)c1)N1CCC[C@H](c2ccncc2)CC1 1616037519 BLFSVUSNNGOAMI-INIZCTEOSA-N 310.397 2.984 0 50 DFAA Cc1cc(C)nc(CN(C)CCC(=O)N2CCC[C@@H](C)C2)c1 1506398371 BDADIMQTLLNOFS-CQSZACIVSA-N 303.450 2.779 0 50 DFAA CCc1ccccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529139338 PQXFMOXTWMHCHQ-SJLPKXTDSA-N 310.397 2.632 0 50 DFAA COc1cc(/C=C/C(=O)Nc2cccnc2)cc(OC)c1OC 302756 OMQJWADDXOMAFZ-VOTSOKGWSA-N 314.341 2.759 0 50 DFAA CC(C)N1C[C@H]2[C@@H](C1)OC(=O)N2CCCc1ccc(F)cc1 12058053 KPDROQUGQFBGSP-JKSUJKDBSA-N 306.381 2.672 0 50 DFAA COc1ccc(NC(=O)Cc2ccc(F)cc2)cc1NC(C)=O 12379579 HAZCSHIDXYXGTB-UHFFFAOYSA-N 316.332 2.974 0 50 DFAA O=C(NCCN1CCCCC1)c1ccc2nc(C3CC3)oc2c1 12431408 CLCYNBWBGYBZCO-UHFFFAOYSA-N 313.401 2.921 0 50 DFAA Cc1ccc(CN2CCC(CN(C)Cc3ccon3)CC2)o1 15064771 KZTIRIXHHMNTHI-UHFFFAOYSA-N 303.406 2.920 0 50 DFAA COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)NCC2 19703161 MYGMGHIHUCDVKW-SFHVURJKSA-N 313.353 2.668 0 50 DFAA biogenic Cc1ccc(OCC(=O)N2CCN(C3CCCCC3)CC2)cc1 19787583 PYWFLCUVGDBEPB-UHFFFAOYSA-N 316.445 2.851 0 50 DFAA Cc1ccsc1C(=O)N[C@@H]1CCN(Cc2c(C)noc2C)C1 169751769 LXYVQXKSJYPPOP-CYBMUJFWSA-N 319.430 2.666 0 50 DFAA OC[C@]12COCC[C@H]1CN(Cc1ccc(-c3cccnc3)cc1)C2 1857669386 HHJGHJSPZBSWNY-VQTJNVASSA-N 324.424 2.579 0 50 DFAA CN1CC[C@H](n2ccnc2-c2cc3c(cc2Cl)OCO3)C1 1857729902 VXWGAQMJTMCJPB-JTQLQIEISA-N 305.765 2.809 0 50 DFAA CC(C)n1ccc(NC(=O)[C@H](O)c2ccc(Cl)cc2F)n1 813553954 JISBFPYGIGFNCZ-CYBMUJFWSA-N 311.744 2.929 0 50 DFAA CNC(=O)c1cccnc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 225451911 AAQOYVVMZSCEJL-ZJUUUORDSA-N 301.312 2.974 0 50 DFAA NC[C@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccn1 237958728 HGUMQXHUDZCZPY-CQSZACIVSA-N 311.385 2.827 0 50 DFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN=c1cc[nH]cc1Cl 664204457 WMILIPWZTKIRKK-BLLLJJGKSA-N 320.824 2.953 0 50 DFAA Cc1cc(CNC[C@@H]2CCCc3ccc(C(=O)O)cc32)nn1C 901880961 PBWNHPQRNFQVQG-HNNXBMFYSA-N 313.401 2.636 0 50 DFAA Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1CCCC(=O)N1C 907350964 XPDLIKYCWXBBJU-CYBMUJFWSA-N 313.357 2.599 0 50 DFAA CC(C)(C)OC(=O)NCCCN1CCCC[C@@H]1c1ncccn1 952883083 UFNPGHXTFCZUSR-CQSZACIVSA-N 320.437 2.918 0 50 DFAA COCC[C@H](NC(=O)Cc1ccc(OC)cc1)c1cccnc1 952994054 OVATZVMMTYXKFY-KRWDZBQOSA-N 314.385 2.527 0 50 DFAA CN(C)C/C=C/C(=O)N[C@H](CC1CCCCC1)c1ncccn1 1875377072 RJZXDXPULRBCGN-VGZDNEPHSA-N 316.449 2.722 0 50 DFAA CC(C)c1c[nH][nH]c1=NC(=O)Nc1ccc(Cn2ccnc2)cc1 1875342459 SDNTZHABLWKNNR-UHFFFAOYSA-N 324.388 2.844 0 50 DFAA C[C@@H]1C[C@@]1(C)S(=O)(=O)N[C@@H](Cc1ccccc1)c1ncco1 1875393314 DOUCHHRMRUOVPK-IVMMDQJWSA-N 320.414 2.676 0 50 DFAA O=C(c1ccc(OC[C@@H]2C[N@]2C2CCC2)cc1)N1CCCC1 1875380560 SBUPYLBBCVDWEP-OXJNMPFZSA-N 300.402 2.538 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@H](c2nnc3n2CCCC3)C1 887282929 JAXTXXANNVVNEJ-LBPRGKRZSA-N 306.410 2.729 0 50 DFAA Cc1c(NC(=O)CN2CCC[C@H](C)C2)ccc2nsnc12 4487998 QROWVZGJWNTOKO-JTQLQIEISA-N 304.419 2.670 0 50 DFAA CCc1nc(NC(=O)[C@H]2CCCc3c2ncn3C)sc1C 2325779574 PHGDAHWAVMBEEG-JTQLQIEISA-N 304.419 2.806 0 50 DFAA Cc1[nH]c2ccccc2c1CCC(=O)N[C@H]1CCC[C@@H](O)C1 2325807553 CDJNEQZILQTITR-UONOGXRCSA-N 300.402 2.829 0 50 DFAA COC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1F 301793 BDNWQUPPJJZLDF-UHFFFAOYSA-N 321.279 2.769 0 50 DFAA CC(C)(C)NC(=O)c1ccc(I)cc1 443768 QQSGMTRWYLZLCO-UHFFFAOYSA-N 303.143 2.820 0 50 DFAA COc1cccc2c1OCCCN(Cc1cccc3ncnn13)C2 2356134377 KQJCEEJSEUQXLW-UHFFFAOYSA-N 324.384 2.523 0 50 DFAA CCOc1cc(S(=O)(=O)NCc2cccs2)ccc1F 4487234 PYBOHFRFXPUXAC-UHFFFAOYSA-N 315.391 2.764 0 50 DFAA COc1ccc([C@@H]2CC(=O)c3cnc(NC4CC4)nc3C2)cc1 4741306 OBIGYLJXHAFJSW-LBPRGKRZSA-N 309.369 2.972 0 50 DFAA CCc1nc(CN(C)c2ncnc3sc(C)c(C)c23)no1 65502017 QERVKCVNGOASAZ-UHFFFAOYSA-N 303.391 2.890 0 50 DFAA Cc1cccc(-n2cc(C3=CCN(CCCC(N)=O)CC3)cn2)c1 65417436 OCZASESHBCSDQT-UHFFFAOYSA-N 324.428 2.535 0 50 DFAA CC(C)(C)C(=O)NCC[C@@H]1CN(Cc2ccccc2F)CCO1 67909554 JKNWNZGWPBYXID-OAHLLOKOSA-N 322.424 2.579 0 50 DFAA O=S(=O)(Nc1cccc(Cn2ccnc2)c1)c1cccs1 67640768 BPGGWRJAHGEPBO-UHFFFAOYSA-N 319.411 2.794 0 50 DFAA c1ccc(Cc2cc(C3CCN([C@H]4CCCNC4)CC3)n[nH]2)cc1 67842521 GDXKTCRUTQZFGZ-IBGZPJMESA-N 324.472 2.932 0 50 DFAA CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 62869619 RCTOYAHWZMJPQJ-HNNXBMFYSA-N 311.765 2.763 0 50 DFAA CCn1nc(C(F)(F)F)cc1C(=O)Nc1c(C)noc1C 2732274 PLDSTHQUXGSKFP-UHFFFAOYSA-N 302.256 2.779 0 50 DFAA O=C(Nc1cccc(F)c1F)N1CC[C@@H](CN2CCCC2)C1 120306032 TWKYCHKWLZTGRE-LBPRGKRZSA-N 309.360 2.914 0 50 DFAA Cc1cc(C)cc(N2CC[C@H](C(=O)Nc3ccc(C)nc3)C2=O)c1 122460037 XMQRVBIMQLZQHM-QGZVFWFLSA-N 323.396 2.998 0 50 DFAA O=C(Cc1c[nH]c2ncccc12)N(Cc1cccnc1)C1CC1 155448500 DDWGLUXJPPVADI-UHFFFAOYSA-N 306.369 2.692 0 50 DFAA c1ccc2c(c1)CC[C@H](NCc1nnc(C3CC3)n1C1CC1)CO2 366978447 ZDVDXGHQWYEJAY-HNNXBMFYSA-N 324.428 2.974 0 50 DFAA CC(C)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72174312 HWYWZKYTWAXPDB-ATZDWAIDSA-N 314.429 2.686 0 50 DFAA COc1ccc2c(ccn2CCC(=O)Nc2nnc(C)s2)c1 36352648 PIIMWFAQQUZEQG-UHFFFAOYSA-N 316.386 2.839 0 50 DFAA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2[C@H]3CCCC[C@H]23)cn1 333009361 QBYRDXFPGOJMEA-QBYUYEEZSA-N 317.433 2.676 0 50 DFAA Cn1nc(C(=O)N2CCC[C@@H]2c2cccnc2)c2c1CCCC2 333564051 ONAYNVVSUXISDZ-OAHLLOKOSA-N 310.401 2.671 0 50 DFAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2c1ncnc2[nH]ccc12 374520550 NDPPIRDNCFNJCR-YHWZYXNKSA-N 308.389 2.606 0 50 DFAA COC[C@H](O)CN[C@H](Cc1cccnc1)c1ccc(Cl)cc1 338773882 DXWXPUHVRRYXLF-IAGOWNOFSA-N 320.820 2.616 0 50 DFAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 241707090 QMNFINHACFTOPM-YCPHGPKFSA-N 318.417 2.827 0 50 DFAA C[C@@H](Oc1ccc(N(C)C(N)=O)cc1)c1nc(C2CC2)no1 174141185 WPDHGNVYHWONQN-SECBINFHSA-N 302.334 2.602 0 50 DFAA C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)CC[S@@](=O)C1 242047814 VQIWKSKLQPIARW-JEOXALJRSA-N 300.493 2.641 0 50 DFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1N 72163094 DUEVIQYMOCLKBU-UHFFFAOYSA-N 311.364 2.621 0 50 DFAA O=C(NCc1csc2c1CCCC2)c1cnn2cc[nH]c12 71750847 AZKMRTWSQNEUMM-UHFFFAOYSA-N 300.387 2.533 0 50 DFAA COc1cccc([C@](C)(CC(=O)O)NC(=O)[C@H]2CC=CCC2)c1 263255028 VSPLBIHRFFMLLV-UGSOOPFHSA-N 317.385 2.858 0 50 DFAA C[C@H]1CC[C@H](CCC(=O)Nc2nc(-c3cnn(C)c3)cs2)O1 176870227 OOGLSZOCUBHHBQ-CMPLNLGQSA-N 320.418 2.830 0 50 DFAA O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H]2CCCCO2)C1 245237703 RYQYYHZMPHEQEU-DOTOQJQBSA-N 302.418 2.906 0 50 DFAA Cc1noc([C@@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)n1 220130714 YBEKKVJTLUETJV-ZDUSSCGKSA-N 311.345 2.622 0 50 DFAA NCc1nnc(SC[C@@H]2CCCCO2)n1-c1ccc(F)cc1 426649546 HOWYMPVIFLEPAQ-ZDUSSCGKSA-N 322.409 2.526 0 50 DFAA Cc1c(C(=O)NC2(C(=O)O)CCC2)n(C)c2c(C)cccc12 426550084 UECRFNCMFXONPJ-UHFFFAOYSA-N 300.358 2.532 0 50 DFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(C(F)F)[nH]n1 426373884 XXQHZVZBKLQLES-UHFFFAOYSA-N 323.278 2.635 0 50 DFAA O=C([C@H]1CCOc2ccccc2C1)N1CC(c2ccccn2)C1 95531384 OVHZVCTXZXAYES-HNNXBMFYSA-N 308.381 2.649 0 50 DFAA CCC[C@@H](C)c1cn(Cc2cccc(C(=O)N(C)C)c2)nn1 92099005 DRZMSNJLXUBJOB-CYBMUJFWSA-N 300.406 2.932 0 50 DFAA CO[C@H](c1nc(-c2cnc(C3CCCC3)nc2N)no1)C1CC1 293186081 ZPWRJMATBQTUEF-LBPRGKRZSA-N 315.377 2.864 0 50 DFAA COCc1ccccc1CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 237172870 FRICFQUUSUFSCS-RDTXWAMCSA-N 312.413 2.785 0 50 DFAA CCC[C@@H](C)NC(=O)Nc1cc(NS(C)(=O)=O)ccc1F 97756458 UFKWBPMQFZLVPC-SECBINFHSA-N 317.386 2.507 0 50 DFAA O=C(O)c1cccc(N2CCCN(Cc3cccs3)CC2)n1 95501107 UZRSYEOKBNVMMF-UHFFFAOYSA-N 317.414 2.554 0 50 DFAA COCCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN2C 95524388 KPDIHXZEWARPCN-QGZVFWFLSA-N 316.445 2.503 0 50 DFAA CSc1ncccc1C(=O)N[C@H](C)c1nnc(C(C)C)o1 299786969 QXENCODDLZCDOP-SECBINFHSA-N 306.391 2.801 0 50 DFAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2NCCC[C@@H]2C1 299760015 TVJQINHTDNIMFU-OCCSQVGLSA-N 312.335 2.920 0 50 DFAA CC1(C)[C@@H]2CC[C@H](CNC(=O)CCCN3CCCC3=O)[C@H]1C2 828026406 XRDDDWAAXHFAOV-RBSFLKMASA-N 306.450 2.578 0 50 DFAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(Cl)c(O)c1 1363050682 CEWYDEMYLAAAHK-LBPRGKRZSA-N 305.765 2.587 0 50 DFAA C[C@H](Cn1cccn1)C(=O)NC1(c2cc(F)ccc2F)CC1 952965548 DRUMQQILNIPYCX-LLVKDONJSA-N 305.328 2.603 0 50 DFAA COc1cc(NC(=O)c2cn(C)c3ccccc3c2=O)ccc1O 952990388 XZZWTLUXFUHMBI-UHFFFAOYSA-N 324.336 2.505 0 50 DFAA Cc1ccc(NC(=O)N2CCC(c3cnn(C)c3)CC2)c(C)n1 268049910 ZMNBFIGDFQRXMQ-UHFFFAOYSA-N 313.405 2.843 0 50 DFAA COCCC(=O)Nc1ccc(Oc2ccccc2OC)nc1 952981926 UUUCTFIHFAFJJG-UHFFFAOYSA-N 302.330 2.858 0 50 DFAA Cn1ncc(N[C@H]2CCCOc3cc(F)ccc32)c(Cl)c1=O 272030150 RNIGKTQUVTZKPK-NSHDSACASA-N 323.755 2.899 0 50 DFAA OC1(CN[C@@H]2CCCOc3cc(F)ccc32)CCSCC1 170073276 ZFIAYGJAMLWDKK-CQSZACIVSA-N 311.422 2.887 0 50 DFAA CC[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)c2ccccc2O1 170087257 HNXXTSZVWCBRIH-CQSZACIVSA-N 311.385 2.965 0 50 DFAA CCc1nnc(SCC(=O)N(CC)Cc2ccccc2)[nH]1 170626340 OTBONVZITRGCAT-UHFFFAOYSA-N 304.419 2.508 0 50 DFAA O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCCOCC1 408112280 LMQMIHPVFOIPKX-AWEZNQCLSA-N 324.808 2.986 0 50 DFAA CCn1cnc2c(N3CCC[C@H](c4ccncc4)C3)ncnc21 408523522 SJAMSLBCQRZIEQ-AWEZNQCLSA-N 308.389 2.625 0 50 DFAA O=C(CCCc1cccs1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 221772522 ZUOBNLVYHNMXNO-AZHAFVHUSA-N 307.415 2.686 0 50 DFAA COc1cc(NC(=O)Cn2nnc3ccccc32)ccc1Cl 194713683 VIVVFDYQGYYVAH-UHFFFAOYSA-N 316.748 2.732 0 50 DFAA Cc1cc(S(=O)(=O)C[C@H]2CCCCO2)nc2ccccc12 195073523 NYPYOWVGGVTBOK-CYBMUJFWSA-N 305.399 2.886 0 50 DFAA C=Cc1ccccc1OCc1nnc([C@]2(OC)CCOC2)o1 664082637 JGPXXDUPAHAOEW-INIZCTEOSA-N 302.330 2.554 0 50 DFAA O=C(N[C@H]1CCCc2c[nH]nc21)c1ccnc(C(F)(F)F)c1 585084488 YMEZPZOUDUJILM-JTQLQIEISA-N 310.279 2.631 0 50 DFAA Cc1nccc(NCCCc2nc(-c3ccccn3)cs2)n1 585092176 IGTCFUVYEKRFRF-UHFFFAOYSA-N 311.414 3.348 0 50 DFAA C[C@@H](c1nncn1C)N1CCC[C@H](Cn2cnc3ccccc32)C1 585117912 BFJWHJSGYYTIFZ-GJZGRUSLSA-N 324.432 2.638 0 50 DFAA Cc1c(-c2ccccc2)noc1NC(=O)CCc1ccnn1C 1506405001 UAZBAIRYIUJABN-UHFFFAOYSA-N 310.357 2.955 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43CO)[C@H]1CC[C@@H]2O 1772491905 KPTQFNUKAKVGSS-WJSCBVJRSA-N 306.446 2.643 0 50 DFAA CCN(CC)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 5023213 BAIWGFHFEIEJAE-UHFFFAOYSA-N 307.482 2.986 0 50 DFAA COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)noc2C)c1 13746744 ZZNLKDZIPAXMNL-SECBINFHSA-N 304.346 2.800 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237671342 OHJNUBDSCVGQFV-KBPBESRZSA-N 305.374 2.557 0 50 DFAA CCC1(CC)[C@H](NC(=O)Nc2c(C)n[nH]c2C)[C@H](C)[C@H]1OC 253390725 QDJJNJHDTQJIGF-CUOATXAZSA-N 308.426 2.988 0 50 DFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1nnc2c(Cl)cccn12 585128203 VSDSIGBYOWUFPM-SDDRHHMPSA-N 318.808 2.825 0 50 DFAA CC(C)c1ccc([C@@H](C)CC(=O)N=c2ccn(C)c(O)n2)cc1 585130497 RSPRQGIZWSOFFZ-ZDUSSCGKSA-N 313.401 2.870 0 50 DFAA O=C(O)[C@H]1CCCCCN1C(=O)c1coc2cc(O)ccc12 907720367 ZRNMUBSDJALGIY-CYBMUJFWSA-N 303.314 2.608 0 50 DFAA CN1C(=O)C2(CCCC2)N[C@H]1c1conc1Cc1ccccc1 840818182 MBLLBFVEIITCSE-MRXNPFEDSA-N 311.385 2.638 0 50 DFAA CCC(CC)CN(CC)C(=O)CCN1CCN(C(C)C)CC1 864058691 URWRYUZOYMXRDM-UHFFFAOYSA-N 311.514 2.687 0 50 DFAA C[C@H](ONC(=O)[C@@H]1C[C@H](c2ccccc2)CO1)c1ccncc1 1875297936 IZEVKIJCSAAJRS-JQFCIGGWSA-N 312.369 2.763 0 50 DFAA CCc1cccnc1C(=O)N1CCN[C@H](c2ccc(F)cc2)C1 1875274405 HZDUTQGNHXQLJC-INIZCTEOSA-N 313.376 2.570 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 1875365739 UOFWOKLFUKJWMQ-HNNXBMFYSA-N 314.429 2.905 0 50 DFAA c1ccc2oc(NCc3nnc([C@@H]4CCCOC4)o3)nc2c1 886079409 WQDDTOXHSNXAMY-SNVBAGLBSA-N 300.318 2.717 0 50 DFAA CCc1cc2c(N(C)C[C@@H](O)c3cccnc3)ncnc2s1 895938367 BYWUYKMPYGZERQ-CQSZACIVSA-N 314.414 2.819 0 50 DFAA Clc1cc(Cl)n2ncc(I)c2n1 147540028 RJTIQNFZPDTAMI-UHFFFAOYSA-N 313.913 2.641 0 50 DFAA CC1(C)CO[C@H](CC(=O)O)CN1Cc1ccc2ncccc2c1 2325788089 LKBTUAHTPXHTKV-OAHLLOKOSA-N 314.385 2.689 0 50 DFAA C[C@H](NCCC1CCN(C)CC1)c1cccc(-n2cnnc2)c1 952847242 FAROLCKVUCTVOL-HNNXBMFYSA-N 313.449 2.650 0 50 DFAA CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2cccnc2)C1 77911 REKCEODWTIZSJZ-INIZCTEOSA-N 315.760 2.802 0 50 DFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cccc(C)n1 104274 MIMUMQVICHCVGD-HNNXBMFYSA-N 300.314 2.688 0 50 DFAA Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)Cc3ccccc3)ccc12 391857 UNWTXWNBQNGDDS-INIZCTEOSA-N 322.364 2.610 0 50 DFAA in-vitro COc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 4839791 WTTWEVPFTWEDIZ-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1 6338381 XMJMPXZOUFXDLZ-INIZCTEOSA-N 308.381 2.982 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 6700838 LPMVWXMWBSZJFR-CYBMUJFWSA-N 316.401 2.815 0 50 DFAA CCn1ncnc1CN1CCC[C@@H](COc2ccc(C)cc2)C1 55327946 RKTFXQZCXHCJTP-MRXNPFEDSA-N 314.433 2.897 0 50 DFAA Cc1nnc(NC(=O)N(C)[C@@H](C)Cc2ncccc2C)s1 23339511 WVQIILKHTGVZMS-JTQLQIEISA-N 305.407 2.645 0 50 DFAA c1ccc(Cc2n[nH]c(CCn3cnc4ccccc43)n2)cc1 67742255 DGSMVXZUHSLOOO-UHFFFAOYSA-N 303.369 2.988 0 50 DFAA COc1ccc2nc(NC(=O)CC[C@@H]3CCNC3)sc2c1 134468517 CVRUEZKKVOCKRN-SNVBAGLBSA-N 305.403 2.633 0 50 DFAA CC(=O)Nc1cccc(-c2csc(CN3CCNCC3)c2)c1 67677389 MBXWJOYUBIJGRM-UHFFFAOYSA-N 315.442 2.779 0 50 DFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1ccc2c(c1)CCO2 67855746 WFFBKFVLXZBWIU-UHFFFAOYSA-N 313.357 2.544 0 50 DFAA CCn1nccc1CN(C)CC1CCN(C(=O)C(C)(C)C)CC1 352342742 XTDAYBBGEGZHES-UHFFFAOYSA-N 320.481 2.620 0 50 DFAA COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 5191 OWYLAEYXIQKAOL-UHFFFAOYSA-N 307.390 2.771 0 50 DFAA biogenic,world CC(C)OC(=O)c1nnc(-c2ccccc2)nc1OC(C)C 1392051 SXWNZKCZLZJPJZ-UHFFFAOYSA-N 301.346 2.891 0 50 DFAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)C[C@H]1CCCO1 252517864 SXFVYIUEOBLQNX-ZJPYXAASSA-N 315.413 2.762 0 50 DFAA O=C(N[C@H](CO)c1ccsc1)c1c[nH]nc1-c1ccccc1 354267101 UAIQXJJNTPLEKJ-CQSZACIVSA-N 313.382 2.602 0 50 DFAA CCO[C@@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 229518513 QFYIDXGVANBCLR-IAGOWNOFSA-N 320.408 2.646 0 50 DFAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)C(=O)c1ccco1 216262281 PWDJPZPZVXMJNP-MRXNPFEDSA-N 324.311 2.902 0 50 DFAA Cc1nc([C@H](C)N(C)C(=O)c2[nH]nc(N)c2Cl)c(C)s1 215388607 RBBDWFJJYLYWHX-YFKPBYRVSA-N 313.814 2.552 0 50 DFAA COC1(c2noc(CCc3cccc4c3OCO4)n2)CCC1 329615675 SHWXGPQNFBMQPB-UHFFFAOYSA-N 302.330 2.609 0 50 DFAA O=c1cc(CN2CCC[C@H]3CCCC[C@H]32)nc2sccn12 230246263 VEBIQFVULOVVBY-TZMCWYRMSA-N 303.431 2.911 0 50 DFAA CCOC(=O)C[C@@H]1CCCCN1Cc1cccc2nonc12 77387969 HYWVRIXUPALWHR-ZDUSSCGKSA-N 303.362 2.531 0 50 DFAA O=C(Nc1nncn1-c1ccccc1)c1c(F)cc(F)cc1F 355754664 YKSUDHADZOEXLG-UHFFFAOYSA-N 318.258 2.937 0 50 DFAA NC(=O)c1ccc(CN2CCC[C@H](O)c3cc(F)ccc32)cc1 328587231 KSRYOPBUGLWAJF-KRWDZBQOSA-N 314.360 2.758 0 50 DFAA Cn1cc(N2CC[C@@H](Nc3ncc(Cl)cc3Cl)C2)cn1 376172361 LAJJTZSRSHWXJO-SNVBAGLBSA-N 312.204 2.813 0 50 DFAA CC(=O)N1CCCCC[C@@H]1C1CCN(CCC(C)(C)O)CC1 370167169 KKNBHXGKFGVBIN-QGZVFWFLSA-N 310.482 2.651 0 50 DFAA CCn1cc(CNc2ccc(-c3ccccc3OC)nn2)cn1 71759651 IADXEYTYTPXBJP-UHFFFAOYSA-N 309.373 2.981 0 50 DFAA COc1ccc(-c2ccc(C)c(NC(=O)NC[C@@H](C)O)c2)cn1 283838556 GQQUTYXSAAEELD-GFCCVEGCSA-N 315.373 2.568 0 50 DFAA COc1ccc2c(c1)CN(C(=O)/C=C/c1cccc(O)c1)CC2 129740440 OSYAASCBCBHNHI-VMPITWQZSA-N 309.365 2.999 0 50 DFAA CCCCN(CCCC)C(=O)c1cn(CCOC)c(C)cc1=O 287091630 JAEPVLMNDNNFKD-UHFFFAOYSA-N 322.449 2.846 0 50 DFAA CC1CCN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)CC1 175545003 NILMPQZQNXAMSH-UHFFFAOYSA-N 321.490 2.712 0 50 DFAA COC1CCC(N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 242155924 WUJOBCSKGVTDEQ-LHUBUQBQSA-N 304.434 2.739 0 50 DFAA COc1ccc2sc(C(=O)N3CC[C@H](CN)C3)c(C)c2c1 178561519 KUINJKGHURUJDV-LLVKDONJSA-N 304.415 2.639 0 50 DFAA O=C(Nc1ccc2nc[nH]c2c1)c1ccc2c(c1)OCCCO2 40268922 ISHRAGBSBFJNCF-UHFFFAOYSA-N 309.325 2.977 0 50 DFAA CCCn1nccc1C(=O)N(C)[C@H](CO)c1ccc(Cl)cc1 615705514 QXEONFIAWRQSIX-OAHLLOKOSA-N 321.808 2.752 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)CCc2ccccn2)C1 82138811 CHZMHFJDOOJXGD-UHFFFAOYSA-N 310.397 2.921 0 50 DFAA Cc1nccn1Cc1ncnn1-c1cccc(C(F)(F)F)c1 91445032 MLYYYZDHPBMEDP-UHFFFAOYSA-N 307.279 2.839 0 50 DFAA O=C(c1ccc2cccc(F)c2n1)N1C[C@H]2CCC[C@@]2(CO)C1 92062513 AMYSNNHLQGFCEP-ACJLOTCBSA-N 314.360 2.609 0 50 DFAA O=C(NCCC[C@H]1CCOC1)c1cnoc1-c1ccccc1 426485639 GHZUEOIJFLLPNG-ZDUSSCGKSA-N 300.358 2.888 0 50 DFAA CC1(C)CC(CC(=O)NCCNc2cccnc2)CC(C)(C)N1 97295147 GBWLQVAQWSZVFD-UHFFFAOYSA-N 318.465 2.557 0 50 DFAA CC(C)Nc1ncccc1C(=O)N1CCOC[C@@H](C2CCC2)C1 293648734 GSECZUZLRTTZTP-HNNXBMFYSA-N 317.433 2.791 0 50 DFAA CSCCCN1C[C@H](C2CC2)[C@@H](NC(=O)CC(F)(F)F)C1 91270503 OHCSGXUQEYHHPR-NEPJUHHUSA-N 324.412 2.519 0 50 DFAA Cc1ncsc1CCC(=O)NC[C@H]1COc2ccccc2C1 91365141 USONXOCVSXXDIW-ZDUSSCGKSA-N 316.426 2.752 0 50 DFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)CCc2cccnc2)C1 91574389 LHPTWUWKYWVNKL-IBGZPJMESA-N 316.445 2.972 0 50 DFAA CCc1noc([C@H]2CCC(=O)N(CCCc3ccccc3)C2)n1 91364497 HJMYFFCKKOGUMF-HNNXBMFYSA-N 313.401 2.971 0 50 DFAA CC1CCC2(CC1)OC[C@H](CNc1ncnc3ncccc13)O2 182265134 KLDHYLGHSGVTOI-JZLYGMAVSA-N 314.389 2.759 0 50 DFAA COc1ccccc1C1(CNC(=O)N2CCO[C@H](C)C2)CCC1 185205205 DNMMAWJQTYYQMU-CQSZACIVSA-N 318.417 2.547 0 50 DFAA 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0 50 DFAA Cc1nnc(CN(CC(=O)O)Cc2ccc(Cl)s2)s1 1615053467 VWGPKPIUEHXWTB-UHFFFAOYSA-N 317.823 2.648 0 50 DFAA N[C@@H]1CC12CCC(NC(=O)c1ncccc1-c1ccccn1)CC2 1615544955 CLSUHABEVDKKHJ-ZHTDJMBKSA-N 322.412 2.533 0 50 DFAA O=C1CC[C@@H](NCCCOC2CCCC2)CCN1CC1CC1 1506398566 RUNDTRRACZQVBO-MRXNPFEDSA-N 308.466 2.716 0 50 DFAA c1ccc(-c2nc(N[C@H]3COC[C@H]3Cc3ccncc3)no2)cc1 1704337045 RGIZLMYXJYLJKG-CVEARBPZSA-N 322.368 2.801 0 50 DFAA CCN(CC)S(=O)(=O)c1ccc(Br)cc1F 139971833 JEFFMFZCMMUXTG-UHFFFAOYSA-N 310.188 2.619 0 50 DFAA Cc1cc(C(=O)N(C)c2cnn(C)c2)ccc1Br 123436526 HINCLUKSRPKQJO-UHFFFAOYSA-N 308.179 2.768 0 50 DFAA CC[C@]12C[C@H]1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2 1772814969 GFQDVJAQRWTQJF-SCLBCKFNSA-N 308.385 2.598 0 50 DFAA COc1ccccc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772814349 URFYKWMMZNWFRZ-UHFFFAOYSA-N 319.364 2.834 0 50 DFAA O=C(O)c1ccccc1-c1nc2cc(C3=NCCCN3)ccc2[nH]1 5130953 BSCIYGNQMYWGLL-UHFFFAOYSA-N 320.352 2.668 0 50 DFAA COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccccn2)C1 12027066 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CCNC(=O)c1ccc(CNC2CCC(O)(C(C)C)CC2)cc1 1775990182 DFWHZCFJLKRGMV-UHFFFAOYSA-N 318.461 2.856 0 50 DFAA CC(C)[C@H](NC(=O)N(C)Cc1nc[nH]n1)c1ccc(F)c(F)c1 1775986501 YASCGOMWFJLLTJ-AWEZNQCLSA-N 323.347 2.622 0 50 DFAA O=C(c1ccc2cc[nH]c2n1)N1CC2(COc3ccccc3C2)C1 2100534608 PQLHOSQVIZWGOB-UHFFFAOYSA-N 319.364 2.640 0 50 DFAA COc1ncccc1CN1CCc2ccccc2[C@H]1CC(=O)O 2325773294 HMWDCKHACNYYRS-MRXNPFEDSA-N 312.369 2.664 0 50 DFAA C[C@@H]1Cc2c(Cl)cccc2[C@H]1N=c1ccnc(N(C)C)[nH]1 2325824776 PVOUCAXZSYUGDK-BMIGLBTASA-N 302.809 2.963 0 50 DFAA C[C@@]1(c2ccc(F)cc2)C[C@H]1NC(=O)c1cccn2nccc12 2325854541 JEAGZAKMGRZZSZ-AEFFLSMTSA-N 309.344 2.933 0 50 DFAA c1ccc([C@@H]2CCc3nnc(CC4CCNCC4)n3CC2)cc1 2356139773 XDLFFAZPLUBBJO-QGZVFWFLSA-N 310.445 2.940 0 50 DFAA CCN(CC)CCOC(=O)C1(c2ccccc2)CCOCC1 2832504 UFVBEBKZAFOENZ-UHFFFAOYSA-N 305.418 2.620 0 50 DFAA O=C(Cc1ccc(Br)cc1)NCc1cccnc1 2966915 ADQQQEBLFQJPEE-UHFFFAOYSA-N 305.175 2.703 0 50 DFAA O=C(O)c1c(N[C@H]2CCOC2)noc1-c1ccc(Cl)cc1 2356153792 VGAFLHSPJMTYIS-JTQLQIEISA-N 308.721 2.894 0 50 DFAA CCOC(=O)C1CCN(CCOc2cccc(C)c2C)CC1 6701692 PZXSMOJOKVSGSB-UHFFFAOYSA-N 305.418 2.957 0 50 DFAA O=C(NCc1ccccc1)Nc1c(O)c2ccccc2oc1=O 6746485 QLIDZMRLUQOFLS-UHFFFAOYSA-N 310.309 2.820 0 50 DFAA CCc1nc(NC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)sc1C(=O)OC 246328821 SJEJXFYGWCGGOS-QATXWYEKSA-N 320.414 2.723 0 50 DFAA C[C@H](CCc1ccccc1)NS(=O)(=O)N1CCCC[C@H]1C 248117002 SPAJFGGSVGORAH-HUUCEWRRSA-N 310.463 2.717 0 50 DFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]1CCC[C@H](O)C1 1074567135 FIBDUTMEEXIZCX-ZBFHGGJFSA-N 313.401 2.586 0 50 DFAA Cn1ccnc1CN1CCC[C@H](Oc2ccc(Cl)cn2)C1 135333111 PKFVWAJDEWRVIL-ZDUSSCGKSA-N 306.797 2.512 0 50 DFAA C[C@@H](c1nnnn1C1CC1)N1CCC[C@@H](Nc2ccccc2)C1 248894778 TVPNCGDIANDBNE-DZGCQCFKSA-N 312.421 2.646 0 50 DFAA O=C(CCCc1nc2ccccc2[nH]1)N1CCc2cnccc21 135810823 PGDADZGWBVREEG-UHFFFAOYSA-N 306.369 2.870 0 50 DFAA Cc1nc([C@@H]2CCCN2CC(=O)N2CCCC[C@H]2C)cs1 249192106 ALPAMLHLXGEYCV-DOMZBBRYSA-N 307.463 2.989 0 50 DFAA CCOc1cnc(-c2noc([C@@H](C)c3c(C)noc3C)n2)cn1 350688235 JZESSUYAUPCWSU-QMMMGPOBSA-N 315.333 2.682 0 50 DFAA O[C@H](CN1CCCC[C@H]1Cn1cccn1)c1ccccc1F 253615673 ADMCBALGLVCVAN-WMLDXEAASA-N 303.381 2.610 0 50 DFAA Cc1cc(C)n([C@@H](C)CC(=O)Nc2cn(C)nc2C(C)C)n1 331129650 SADSLELSIOSXMB-ZDUSSCGKSA-N 303.410 2.947 0 50 DFAA CC[C@H](C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1c(C)noc1C 252515071 GSBKBEAXCVXWQQ-SOUVJXGZSA-N 306.406 2.859 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)ccn1 171805330 DTVYBWRIRUNIQT-AEFFLSMTSA-N 323.396 2.938 0 50 DFAA COC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400102 FDLZTRVBLVKWPR-UHFFFAOYSA-N 311.259 2.702 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCO[C@@H](Cc2ccccc2)C1 122512921 KHULSLFIICIPBH-HNNXBMFYSA-N 315.348 2.696 0 50 DFAA Brc1ccc2nc3c(nc2c1)Nc1nonc1N3 6534117 AEWVTDHFEZLKLW-UHFFFAOYSA-N 305.095 2.576 0 50 DFAA CC1(C)C(O)=N[C@@H]1C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 329337603 PXISYKLIAOHHQM-DZGCQCFKSA-N 308.422 2.549 0 50 DFAA C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccn2)C[C@@H](C)N1 153851046 LZARPUKAKHKRQJ-ZIAGYGMSSA-N 311.385 2.696 0 50 DFAA COc1cccc([C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)c1 216066499 ZFHOJYCXBWSOAW-QZTJIDSGSA-N 311.381 2.995 0 50 DFAA NC(=O)C[C@H]1CCN(CCOc2cc(Cl)ccc2Cl)C1 367307931 MLJZFOSGOLBQQX-SNVBAGLBSA-N 317.216 2.570 0 50 DFAA Cc1nc(CN(C)Cc2ccccc2O[C@H](C)C(=O)O)cs1 215098734 HHXSENSVBOYBNY-LLVKDONJSA-N 320.414 2.935 0 50 DFAA O=C(NCc1noc2c1CCCC2)NC[C@H]1CCCC1(F)F 333506499 LDMPUIWGSYPSFG-SNVBAGLBSA-N 313.348 2.788 0 50 DFAA CCCn1cc(CNC(=O)[C@H](c2cccc(C)c2)N(C)C)cn1 219896409 LJYZWFCWOWQXKV-KRWDZBQOSA-N 314.433 2.521 0 50 DFAA Cn1cnc2cc(C(=O)NC[C@@H]3CCOC(C)(C)C3)ccc21 457200571 FYOGHNFGXZUTMH-GFCCVEGCSA-N 301.390 2.508 0 50 DFAA C/C=C(\C)CN1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 39455231 MZIBWCINUDQGOC-KPGDTVGWSA-N 306.425 2.661 0 50 DFAA C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)O)cn1c23 40350782 TXHHWPCHDXOBDP-ZCFIWIBFSA-N 308.131 2.579 0 50 DFAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cc2c(F)cccc2[nH]1 263287050 YDJZDDMOZUTLAT-ZJUUUORDSA-N 304.321 2.632 0 50 DFAA CN(CC(=O)O)[C@H]1CCCN(Cc2ccc3occc3c2)CC1 263456992 AXVBEGJRJZYKHJ-INIZCTEOSA-N 316.401 2.804 0 50 DFAA O=C(NCc1ccc2c(n1)CCCC2)C(F)(F)C1(O)CCCC1 287167260 RZPCDDKUTFPBBC-UHFFFAOYSA-N 324.371 2.517 0 50 DFAA C[C@H](Cc1ccccn1)N(C)C(=O)Cc1ccc(N(C)C)cc1 220255114 IEHVVHVRUSRZMN-OAHLLOKOSA-N 311.429 2.780 0 50 DFAA Cc1nc(NCc2cnc3ccccc3c2)cc([C@@H]2CCOC2)n1 426361159 CSTBKZFIUGXJDG-MRXNPFEDSA-N 320.396 3.449 0 50 DFAA CN(Cc1ccccn1)C(=O)C1(c2ccc(N(C)C)cc2)CC1 292937703 ZQKPPTIHLQUWRB-UHFFFAOYSA-N 309.413 2.838 0 50 DFAA CCc1cnc(N)nc1N[C@@H](c1nc(C2CC2)no1)C(C)C 95366908 PVBBBLQJBKPTQE-LLVKDONJSA-N 302.382 2.691 0 50 DFAA Cn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 91754995 GPJWOQYFVPKIII-MRXNPFEDSA-N 313.401 2.753 0 50 DFAA CSCCc1nc(CCc2nc3ccc(F)cc3[nH]2)n(C)n1 95362411 IZPWVSJJUKTBGC-UHFFFAOYSA-N 319.409 2.521 0 50 DFAA Cc1nc(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)cs1 91586631 GHFVUCXQJNIGLF-UHFFFAOYSA-N 316.361 2.911 0 50 DFAA Cc1ccccc1[C@@H]1CCCN1C(=O)NCCc1cnn(C)c1 299061553 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ZEJLEKWPTXOLCL-UHFFFAOYSA-N 300.749 2.850 0 50 DFAA CCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)nc1 1772819675 ZBEQAMCMNLYMQA-UHFFFAOYSA-N 318.380 2.783 0 50 DFAA CSCc1nnc2sc([C@@H]3COc4ccccc4O3)nn12 1776111020 MZLXXQTZTSQLFU-JTQLQIEISA-N 320.399 2.561 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN(Cc2cccc(F)c2)CC1 19293857 QYVZRULWJUABGJ-UHFFFAOYSA-N 316.351 2.923 0 50 DFAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccs1 19342927 ZCLIKWNYNSNXHG-UHFFFAOYSA-N 302.399 2.833 0 50 DFAA O=C(CCCn1cccc1)Nc1ccc(Cn2cncn2)cc1 158875968 XYVQPQULWGIATG-UHFFFAOYSA-N 309.373 2.547 0 50 DFAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1ccc2c(c1)CCCO2 1857676085 JPTLBDBRJNIJLU-HOTGVXAUSA-N 303.402 2.825 0 50 DFAA O=C(N[C@H](C(=O)O)c1ccccc1)[C@H]1CCc2ccccc2C1 322874845 RUILLMKYUNTNEY-IRXDYDNUSA-N 309.365 2.734 0 50 DFAA C[C@@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1)CCC(=O)N2 125721106 SZVCRPPBOSDIBO-LBPRGKRZSA-N 309.369 2.800 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@@](C)(C(=O)O)C3)co2)cs1 237789789 HMNLLIZGQXGUNF-OAHLLOKOSA-N 320.370 2.648 0 50 DFAA CCCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1 337162966 VRTPJNKKWJXMFU-KURKYZTESA-N 317.429 2.641 0 50 DFAA CCn1cc(CCN2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cn1 375680746 RYEUUYUVTMCMEI-MOPGFXCFSA-N 313.445 2.544 0 50 DFAA CN(C)C(=O)c1cnc(N[C@@H]2CCC[C@@H](N(C)C)C2)c(Cl)c1 267234415 GDWBLXAIAXTEBY-CHWSQXEVSA-N 324.856 2.722 0 50 DFAA CCCNC(=O)c1cccc(CNC2[C@@H](C)COC[C@@H]2C)c1 863984649 XRIPMILZDUCBLC-KBPBESRZSA-N 304.434 2.587 0 50 DFAA CC(F)(F)[C@H]1CCCN(CN2C(=O)C(=O)c3ccccc32)C1 1875299102 YVEINNYDCXDCPQ-NSHDSACASA-N 308.328 2.541 0 50 DFAA Cc1oc(=O)oc1CSc1nnc(-c2ccccc2)n1C 15108958 RFEYPWVPLOGLNI-UHFFFAOYSA-N 303.343 2.629 0 50 DFAA C[C@@H]1CCc2[nH]nc(C(=O)OCc3cccn4nccc34)c2C1 2325769752 IZOZCRZEIHLADU-LLVKDONJSA-N 310.357 2.539 0 50 DFAA C[C@H](NCc1cccn(C)c1=O)c1ccc2nc(C3CC3)[nH]c2c1 2325792145 FQNWAFUSJRJJKB-LBPRGKRZSA-N 322.412 2.990 0 50 DFAA O=C(NCc1ncc(C(F)F)cn1)c1cncc2ccsc12 2325876478 WQNCYFZOLJFZRQ-UHFFFAOYSA-N 320.324 2.954 0 50 DFAA COc1ccc([C@@H](O)CN2C3=NCCCN3c3ccccc32)cc1 285968 XFNPQHBACPVJQA-SFHVURJKSA-N 323.396 2.815 0 50 DFAA O=C(Nc1ccc(N2C(=O)C=CC2=O)cc1Cl)c1ccco1 458247 QPOSVEVSGJCGJV-UHFFFAOYSA-N 316.700 2.615 0 50 DFAA COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 555135 JQUVUVLLXYPWEN-UHFFFAOYSA-N 319.382 2.607 0 50 DFAA Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n[nH]1 343353230 SSHBUZLNXMKSKM-AQUOVQTQSA-N 304.781 2.747 0 50 DFAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)c1cnc2ccccn12 55182759 JORGOZNENZZCJY-OAHLLOKOSA-N 323.396 2.605 0 50 DFAA CSC[C@H]1CCCN1CC(=O)Nc1ccc(C(C)=O)cc1 135488461 VOAAJALERBBINP-OAHLLOKOSA-N 306.431 2.655 0 50 DFAA CC(=O)Nc1ccnn1CC1=CCCN([C@H]2C=CCCC2)C1 65381781 UFJIPKOHICPVBJ-INIZCTEOSA-N 300.406 2.582 0 50 DFAA COc1cc(-c2ccc(-c3nnn[nH]3)cc2)cc(OC)c1OC 67946312 VLKGEFSOQAMNKK-UHFFFAOYSA-N 312.329 2.560 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1nccs1 249696470 SMFPXTDVAOWMGT-ZIAGYGMSSA-N 307.463 2.551 0 50 DFAA CC[C@H](C)Sc1nc(O)cc(=O)n1-c1ccc(OC)cc1 23114791 CYENORJQJHBDPC-JTQLQIEISA-N 306.387 2.837 0 50 DFAA Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1 20367251 JPJNNYLVLMAVLH-UHFFFAOYSA-N 323.440 2.751 0 50 DFAA CCN(CC)c1ccc([C@H]2CC(=O)Nc3n[nH]c(C)c32)c(O)c1 67723571 CDBJIKNKCADJJX-CYBMUJFWSA-N 314.389 2.744 0 50 DFAA COc1ccc2c(C)c(C(=O)N3CC[C@H]4CC[C@@H](C3)N4)oc2c1 65404019 POZSAZXSOGTPAI-OLZOCXBDSA-N 314.385 2.716 0 50 DFAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)c1ccccc1F 1506421870 KJRLIJYLSJFOOH-AWEZNQCLSA-N 313.376 2.867 0 50 DFAA CCc1c(C)sc2ncnc(NC[C@@H]3COCCN(C)C3)c12 72144842 RJJDQZWKAWPZNS-LBPRGKRZSA-N 320.462 2.552 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2cncc3ccccc23)cnn1C 328617402 CRNPSTYAOBYMCZ-RBUKOAKNSA-N 322.412 2.897 0 50 DFAA Cc1nc([C@@H]2CN(c3ccnc4c(F)cccc34)CCO2)no1 253429878 VKRFGGWVXLDSIS-AWEZNQCLSA-N 314.320 2.643 0 50 DFAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1c1ncon1 123351606 DWGYRFMEFPXULM-RISCZKNCSA-N 319.336 2.730 0 50 DFAA CC[C@H](NC(=O)C(=O)N(C)Cc1ccccc1)c1ccccc1 253410487 CNBUMMDXEXTOJU-KRWDZBQOSA-N 310.397 2.913 0 50 DFAA O=C(c1sccc1Cl)N1CCC[C@@H](Cn2ccnn2)C1 285494105 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HIZYTOXMHFORNG-UHFFFAOYSA-N 302.382 2.584 0 50 DFAA O=C(NCc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 261494888 PXARBBMJAHQJDM-UHFFFAOYSA-N 306.593 2.932 0 50 DFAA O=C(NCc1noc([C@H]2CCCO2)n1)Nc1ccc(F)c(F)c1 299788932 VMOQGTFFRMJSPL-LLVKDONJSA-N 324.287 2.521 0 50 DFAA COCC[C@@H]1CN(Cc2cc3cc(C)ccc3n2C)CCO1 670436161 JAUFVYUAMPUTJH-QGZVFWFLSA-N 302.418 2.724 0 50 DFAA COc1ccccc1Oc1ccc(NC(=O)c2cnccn2)cn1 952989230 QDUJJTJVAXEZMM-UHFFFAOYSA-N 322.324 2.925 0 50 DFAA O=C(O)[C@H]1C[C@H]1C(=O)NC(c1cccs1)c1cccs1 268961757 ZEBRPJFNGSESNL-BDAKNGLRSA-N 307.396 2.736 0 50 DFAA Cc1nn(CCC(=O)O)c(C)c1NC(=O)CC1=CCCCC1 630332698 LOWZFCNLJXIZPT-UHFFFAOYSA-N 305.378 2.804 0 50 DFAA CC(C)C[C@@H](C)OCCC(=O)N1CC(=O)Nc2ccccc21 86986911 UWKHYKRGYYWECB-CYBMUJFWSA-N 304.390 2.813 0 50 DFAA COc1cccc(Cc2noc([C@@H]3CCc4cn[nH]c4C3)n2)c1 273860219 RRIHACYQRBMGFQ-GFCCVEGCSA-N 310.357 2.665 0 50 DFAA CCN(CC)Cc1nc(-c2cc(OCC(F)F)ccn2)no1 276971004 UDFYYWRAUPBREL-UHFFFAOYSA-N 312.320 2.617 0 50 DFAA CCc1cc(NC(=O)c2cccc(NC(C)=O)c2C)n(C)n1 188512704 WWCCHZRBEMNNFS-UHFFFAOYSA-N 300.362 2.502 0 50 DFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCC[C@@H]1CO 189913023 WKWKRMBTXVEUEO-GFCCVEGCSA-N 320.780 2.514 0 50 DFAA CS(=O)(=O)c1ccccc1NC(=O)c1cccc2c1CCC2 194328381 NHRPWXGCQKOXLG-UHFFFAOYSA-N 315.394 2.831 0 50 DFAA COc1cccc2c1CCCCN2Cc1nnn(C(C)(C)C)n1 653589388 IYKRHJKPJXFHMK-UHFFFAOYSA-N 315.421 2.780 0 50 DFAA O=C(O)[C@H](c1ccc(F)cc1)N1CCC(c2ccon2)CC1 659801123 DLZFQYIXZKGBPW-HNNXBMFYSA-N 304.321 2.819 0 50 DFAA C[C@H](c1nc(C2CC2)no1)N1Cc2cnn(C)c2CC(C)(C)C1 664873434 CVFCOUPSWRKJGT-LLVKDONJSA-N 315.421 2.826 0 50 DFAA Cc1cnc(CN(Cc2c(C)nn(C)c2C)CC(C)C)cn1 1506399032 WUHGOTJTXMRRAP-UHFFFAOYSA-N 301.438 2.794 0 50 DFAA CCc1cc(N[C@@H](CC(=O)O)c2ccccc2)nc(N(C)C)n1 1704307035 QZMZBAGNHHJATE-AWEZNQCLSA-N 314.389 2.733 0 50 DFAA Cc1ncc(CN(CCO)Cc2c(Cl)ccc(C)c2F)[nH]1 1704315282 ZKHVVBDEDPJUDT-UHFFFAOYSA-N 311.788 2.814 0 50 DFAA CCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1 6727141 HLFJFRFYNODTOD-UHFFFAOYSA-N 312.211 2.619 0 50 DFAA CC(C)c1noc([C@H]2CCCN(c3ncnc4cc[nH]c34)C2)n1 1772806750 KGRNMQWRJCOPGL-NSHDSACASA-N 312.377 2.848 0 50 DFAA CC(C)(C)OC(=O)N1CCc2c(C(=O)NC3CC3)csc2C1 12381521 IBDOGEYWQKLQSY-UHFFFAOYSA-N 322.430 2.934 0 50 DFAA O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccccn1 169755493 AYUPGIQEZOTPOY-UHFFFAOYSA-N 319.368 2.929 0 50 DFAA O=C(NCc1nnc2ccc(Cl)cn12)c1ccoc1C1CC1 606445455 HPMMFPAXCFICEP-UHFFFAOYSA-N 316.748 2.783 0 50 DFAA CCOc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2539213 NCLAAKQIHUIOIV-CYBMUJFWSA-N 309.362 2.606 0 50 DFAA in-vitro C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccco3)o2)C1 2622319 ADKTZYATRMFBCT-QWRGUYRKSA-N 321.402 2.926 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc([C@@H](O)C2CCOCC2)s1 720199881 ADUPSFSPDZJINC-NSHDSACASA-N 314.407 2.950 0 50 DFAA C[C@@H](CC(=O)N1CC[C@@H](N)C1)c1ccccc1C(F)(F)F 132636305 FZTMTZXNGMTBHT-WDEREUQCSA-N 300.324 2.759 0 50 DFAA Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCc2cc(F)ccc21 669355498 RUVLBCUWDOWBTD-OAHLLOKOSA-N 301.365 2.522 0 50 DFAA O=C(c1cnc(-c2ccccc2)nc1)N1CCC2(CCOCC2)C1 363285701 QRUQBNYOESLXRK-UHFFFAOYSA-N 323.396 2.786 0 50 DFAA CC(C)n1cnc(S(=O)(=O)Nc2c(O)cccc2Cl)c1 585140645 HWURBRSFBWIAAO-UHFFFAOYSA-N 315.782 2.624 0 50 DFAA C[C@@]1(CCF)NC(=O)N(c2cnc(-c3ccccc3)s2)C1=O 900243184 ZWFVPDUSIWBISI-HNNXBMFYSA-N 319.361 2.985 0 50 DFAA O=C(O)[C@@H]1CN(Cc2ccc3c(n2)CCC3)C[C@H]1c1ccccc1 901889342 AQMBEPSFMPZASZ-ZWKOTPCHSA-N 322.408 2.871 0 50 DFAA CCn1cnc2c1CCN([C@@H](C)C(=O)Nc1cccc(C)c1)C2 933264298 WSDUGXLXIIJJGN-AWEZNQCLSA-N 312.417 2.597 0 50 DFAA Cn1c(CO)cnc1SCC(F)(F)c1ccc(F)cc1 952883631 OJBVPVVZSJCRHH-UHFFFAOYSA-N 302.321 2.936 0 50 DFAA Cn1nccc1CN1[C@H](C(=O)O)CC[C@H]1c1ccc(Cl)cc1 1875283562 WJOUJYRYDHOEAX-GJZGRUSLSA-N 319.792 2.864 0 50 DFAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc(F)c(C(F)F)c1 1875307564 QXCWKWHUPSDZIC-MRVPVSSYSA-N 312.295 2.866 0 50 DFAA c1cc(-c2nnc3n2CCCC3)ccc1OC[C@H]1C[N@]1C1CCC1 1875380213 IPIVQZGYASLNKD-WAIKUNEKSA-N 324.428 2.897 0 50 DFAA O=C(O)C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccn1 1775990606 CVLHPTICKDLQIQ-GFCCVEGCSA-N 316.382 2.578 0 50 DFAA COc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1 523116 VOTPZJVCGSCKIT-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA CCN(CC)C(=O)c1cccc(-c2ncc3c(ncn3C)n2)c1 2100539749 WQWXEGLHQJODFH-UHFFFAOYSA-N 309.373 2.512 0 50 DFAA O[C@]1(C(F)(F)F)CC[C@@H](CNCc2ccnc3[nH]ccc23)C1 2325789902 VSRNZVXTCGYVRJ-QMTHXVAHSA-N 313.323 2.746 0 50 DFAA Cc1ccc2cccnc2c1-c1cncc(N[C@H]2CCNC2)n1 2325796664 BSMXMLXFBIXJEV-AWEZNQCLSA-N 305.385 2.774 0 50 DFAA Cn1ncc(C(=O)O)c1C(=O)Nc1ccccc1C(C)(C)C 20615032 VTTKVUBXZWBSDC-UHFFFAOYSA-N 301.346 2.668 0 50 DFAA Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccn2)c1C 213335 JQPFZKITRHOXAN-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA N[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O 281192 DFGNDJBYANKHIO-MRXNPFEDSA-N 310.353 2.701 0 50 DFAA biogenic Cc1ccnc(SCC(=O)N2N=CC[C@H]2c2ccccc2)n1 534143 OAVAVAVVGNZDFG-AWEZNQCLSA-N 312.398 2.837 0 50 DFAA OC[C@H]1C[C@@H]2CC[C@H](C1)N2c1nnc(-c2ccccc2)s1 2356167859 FZHVYOSPQSXUMG-DEZZGGKRSA-N 301.415 2.945 0 50 DFAA CCCC[C@@H]1C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 6359837 QOGCQGCLCRCTLE-CYBMUJFWSA-N 304.415 2.858 0 50 DFAA Cc1ccc(-c2nc(CNC(=O)[C@@H]3CCCO3)cs2)cc1 6699967 JKCXEBQFRUJQEZ-AWEZNQCLSA-N 302.399 2.914 0 50 DFAA COc1cccc(-c2cc(C(=O)NCc3ccccn3)on2)c1 6783088 KYIUCBHPGVEZHY-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA O=C(CCc1ccsc1)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 102205403 OGGSQFXSZZKXDC-WARHEFMKSA-N 305.443 2.737 0 50 DFAA COCc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)o1 225539389 WTYOVCWQTRCUHI-HIFRSBDPSA-N 319.332 2.513 0 50 DFAA Cc1ccnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 9266157 JCKZJXQZNGIBIJ-UHFFFAOYSA-N 323.396 2.881 0 50 DFAA COc1cccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)c1 9426024 RBAKJZCYHVCNRI-UHFFFAOYSA-N 309.362 2.801 0 50 DFAA COC[C@H]1CN([C@@H](C)Cc2nc3ccccc3s2)CCO1 229858962 QFFCXTUPGLFERU-QWHCGFSZSA-N 306.431 2.575 0 50 DFAA Cc1nc([C@H](C)NC(=O)NC[C@H]2CCO[C@H]2C(C)C)cs1 230091958 XQTRXGCGNFMZQA-SUHUHFCYSA-N 311.451 2.873 0 50 DFAA CCc1nn(C)cc1CNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 230240051 OUNQXVWPIABUOS-DUVNUKRYSA-N 304.438 2.703 0 50 DFAA CN(Cc1ncc[nH]1)c1ncc2c(n1)CCN2c1ccccc1 65422147 HOYHTDKDFNRYJM-UHFFFAOYSA-N 306.373 2.530 0 50 DFAA COc1ccc(OC[C@H](O)CN2c3ccccc3C[C@H]2C)cc1 252458577 UQHGBGNABWWBGI-GDBMZVCRSA-N 313.397 2.886 0 50 DFAA CCN(Cc1nonc1C)C(=O)c1cc(-c2cccs2)on1 2802223 XDNSNKWGFSCGSS-UHFFFAOYSA-N 318.358 2.757 0 50 DFAA COc1ccc(CN2CCC(OC)CC2)cc1CN1CCCC1 215384828 IVDIDJQKNZAVNW-UHFFFAOYSA-N 318.461 2.902 0 50 DFAA Cc1ccc2c(c1)c(C(=O)N1CCC3(CCCO3)CC1)nn2C 71439844 MRKLARANWGZAHB-UHFFFAOYSA-N 313.401 2.667 0 50 DFAA CN1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C(C)(C)C1 253395546 WDAUTKRSJPSEMW-NEPJUHHUSA-N 308.372 2.621 0 50 DFAA C[C@H](CNC(=O)c1ccc(CCC(C)(C)O)cc1)N1CCCC1 72407328 NNVAANOXCPRLPK-OAHLLOKOSA-N 318.461 2.604 0 50 DFAA Cc1ccc(F)c(CNc2cc(C3CC(O)C3)ncn2)c1F 218819115 UJHDWEJSHPTMGZ-UHFFFAOYSA-N 305.328 2.914 0 50 DFAA O=C(c1c[nH]nc1-c1ccoc1)N1CC[C@H](O)c2ccccc2C1 363749613 IIYHMCJYXMCCFF-INIZCTEOSA-N 323.352 2.749 0 50 DFAA CCN(Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCNC1=O 366924264 WITKYZCYOUYNQJ-ZDUSSCGKSA-N 319.792 2.705 0 50 DFAA Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(Cl)cn2)cn1 367965766 VHYWCDPMZDFFGH-CVEARBPZSA-N 320.824 2.557 0 50 DFAA O=C([C@@H]1CCc2ccccc21)N(Cc1cocn1)Cc1cocn1 216461384 DQQSCXNMBGFAIY-QGZVFWFLSA-N 323.352 2.921 0 50 DFAA COc1ccc2c(c1)[C@H](C)N(C(=O)c1nn(C)cc1Cl)CC2 216109672 MKIIYQWNHBSNTJ-JTQLQIEISA-N 319.792 2.842 0 50 DFAA N[C@@H]1CC[C@H](C(=O)NCCCSCc2ccc(F)cc2)C1 216500375 FBEWWBOCENCKQE-DZGCQCFKSA-N 310.438 2.693 0 50 DFAA FC(F)(F)[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CCO1 71759790 OFKYOVXSEQLLRT-ZDUSSCGKSA-N 309.291 2.911 0 50 DFAA CNC(=O)c1ccc(CN2CCOc3cccc(F)c3C2)cc1 374565125 FDXXBMLMQVUYQE-UHFFFAOYSA-N 314.360 2.580 0 50 DFAA COc1ccc2c(c1)OCCN([C@H](C)c1nc(C3CC3)no1)C2 374776045 KYDXTBVNOYHXKF-LLVKDONJSA-N 315.373 2.911 0 50 DFAA CCc1cc(N[C@@H]2c3ccccc3C[C@H]2N(C)C)n2nccc2n1 72432343 SJRRILPMFPPVSM-VQIMIIECSA-N 321.428 2.931 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1cccs1 239667655 BRAWNQFJFUOBMD-YUTCNCBUSA-N 307.415 2.925 0 50 DFAA Cc1cccc(C)c1C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 283738201 XEYCEDVDVUJJEI-WBVHZDCISA-N 317.429 2.601 0 50 DFAA C[C@H](CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)CC(=O)O 241231185 KSWKYTYNRKUTIH-AEJSXWLSSA-N 313.756 2.810 0 50 DFAA Cn1c(NC(=O)c2ccc(O)nc2)nc2c(Cl)cccc21 184428138 BWXAWHLQMZSYQF-UHFFFAOYSA-N 302.721 2.580 0 50 DFAA Cc1cn2cc(C(=O)N[C@@H]3CCc4ccccc4C3)ccc2n1 223696851 VGIVKLJJTZHWNQ-QGZVFWFLSA-N 305.381 2.930 0 50 DFAA CN(Cc1ccccc1Cl)c1cc([C@H]2CCOC2)nc(N)n1 426734291 LKUBKAVJNSSOEW-LBPRGKRZSA-N 318.808 2.853 0 50 DFAA O=C(c1ccon1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 97551386 HNVWBSHPIPYGJT-UHFFFAOYSA-N 314.341 2.988 0 50 DFAA CO[C@H](CNC(=O)N1CCCN(c2ccccc2)CC1)C(C)C 266785138 YPIHTYHIJXLHOR-QGZVFWFLSA-N 319.449 2.579 0 50 DFAA O=C(CCc1nc2ccc(F)cc2[nH]1)N1CC(c2ccccn2)C1 97636501 FVZQIHFIALJLAZ-UHFFFAOYSA-N 324.359 2.656 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)N1CCN(c2ccncc2)CC1 91636494 FMXDTMOEYLTAJF-KRWDZBQOSA-N 321.424 2.850 0 50 DFAA CCn1ccnc1CN(C)Cc1cc(=O)c2cc(F)ccc2[nH]1 91860874 CUVHDOICSCKECN-UHFFFAOYSA-N 314.364 2.516 0 50 DFAA Cc1csc(CCCNC(=O)c2cn3ccsc3n2)n1 91896580 AAVCVOWTDOZBTD-UHFFFAOYSA-N 306.416 2.523 0 50 DFAA CC[C@H](C)OCc1nc(-c2cn(C)nc2C(F)(F)F)no1 293142276 WQHVEKITHCJSOD-ZETCQYMHSA-N 304.272 2.804 0 50 DFAA CN(CCN1CCCCC1)Cc1nc(-c2ccccc2)no1 96851479 XOWOARCXWXTOHS-UHFFFAOYSA-N 300.406 2.654 0 50 DFAA C[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@@]1(O)C1CCC1 91304382 SJXCEJYDUAIDPN-ACJLOTCBSA-N 320.408 2.908 0 50 DFAA CCCOC(=O)N1CCC[C@H](c2nccn2CCCN(C)C)C1 95360093 CXOQXFAZAGOGCK-HNNXBMFYSA-N 322.453 2.561 0 50 DFAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2CCNC2)s1 97295190 CODWUIWXDDXNEU-HNNXBMFYSA-N 315.442 2.590 0 50 DFAA CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1nnc(-c2ccco2)o1 244707808 KHWOLFVSDIONHW-UHFFFAOYSA-N 315.377 2.982 0 50 DFAA CSCC(=O)N[C@@H](CCn1ccnc1C)c1ccccc1 243893733 ATKJWJCVATXQRJ-HNNXBMFYSA-N 303.431 2.802 0 50 DFAA Cc1sc2ncn(CCc3nc(C4CC4)no3)c(=O)c2c1C 345981792 SWXMFWXPIMHNJN-UHFFFAOYSA-N 316.386 2.578 0 50 DFAA Cc1ccc(C)n1CC(=O)N[C@@H](c1ccccc1)c1nccn1C 253414332 XDFWTLPWILZELG-SFHVURJKSA-N 322.412 2.744 0 50 DFAA Cn1nc2c(c1NC(=O)C(C)(C)Oc1ccc(F)cc1)CCC2 299301951 RCWHLLUGZZPWEC-UHFFFAOYSA-N 317.364 2.844 0 50 DFAA Cc1ccsc1CN(C)C(=O)NCc1noc(C2CC2)n1 534648499 AFFNIEWXRNXTNY-UHFFFAOYSA-N 306.391 2.659 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N(C)Cc2cc(C)[nH]n2)cc1 299774938 JGJCDNWRMNIIOC-UHFFFAOYSA-N 316.361 2.559 0 50 DFAA CCOc1ccc(CC(=O)N[C@@H](c2nccn2C)C2CC2)cc1 299774263 BCINAUVZJDPASS-QGZVFWFLSA-N 313.401 2.629 0 50 DFAA O=C(O)c1ccc(F)c(NC(=O)c2cnc3cc(F)ccn23)c1 390822279 VXXYFGBQOYBMCQ-UHFFFAOYSA-N 317.251 2.563 0 50 DFAA Cc1nc(C)c(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)o1 825268490 ISDPVJVZUFBUFD-ZDUSSCGKSA-N 319.430 2.747 0 50 DFAA OCCn1nc(-c2ccc(F)c(F)c2)nc1[C@H]1CC12CCC2 828776608 ACNCZUFUCGUPIR-LLVKDONJSA-N 305.328 2.873 0 50 DFAA O=C(NC[C@H]1CCCOC1)C1(N2CCCCC2)CCCCC1 827661315 PKBYJLKYRDAKNV-MRXNPFEDSA-N 308.466 2.718 0 50 DFAA CCc1ccccc1NC(=O)CCC(=O)NC[C@@H]1CCCCO1 823536649 AEYQFOHQZXMXDJ-HNNXBMFYSA-N 318.417 2.653 0 50 DFAA CC(C)Oc1ccc(CN2CCC[C@@H](N(C)C)CC2)cc1CO 828817779 VBONSLOPQPLPPP-GOSISDBHSA-N 320.477 2.882 0 50 DFAA COc1ccc(Cc2nc([C@H]3CCCCCN3C)n[nH]2)cc1 584892897 QXGIZQLAGUPUMG-OAHLLOKOSA-N 300.406 2.951 0 50 DFAA Cc1cc(C)c(CN[C@@H]2CCC(=O)N(CC3CC3)CC2)cn1 584891512 HDHDKHSYBBCXHP-QGZVFWFLSA-N 301.434 2.579 0 50 DFAA CC(C)C[C@@H](CNC(=O)[C@@H]1CCCc2c(O)cccc21)C(=O)O 585134136 FTKPVZUBDIOUJW-SWLSCSKDSA-N 319.401 2.675 0 50 DFAA CCCOc1ccc(CN(C)Cc2c[nH]nc2C)cc1CO 584900650 XMOIJDQQYQNQBA-UHFFFAOYSA-N 303.406 2.631 0 50 DFAA Cc1cc(CN(C)CC(=O)Nc2ccc(F)cc2C)ccn1 670443007 HTHPWMZKMNXXHJ-UHFFFAOYSA-N 301.365 2.908 0 50 DFAA COc1ccc2[nH]c(-c3nc(C)nn3CC(C)(C)O)cc2c1 670459483 FLODWHXBLHNKEM-UHFFFAOYSA-N 300.362 2.514 0 50 DFAA Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(C(F)F)[nH]n1 1464229081 HHRSATIMDIVIOD-UHFFFAOYSA-N 319.271 2.958 0 50 DFAA O=C(O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)CC2 630100387 HFZQMVABXAZRGZ-XQQFMLRXSA-N 305.399 2.565 0 50 DFAA OC[C@H](CNc1cnccn1)Cc1ccccc1Br 277171371 MQYKPVZRORGUPN-NSHDSACASA-N 322.206 2.502 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN1c1cc(N2CCOCC2)ncn1 277929118 WEAVNYSBNNELMO-WBVHZDCISA-N 324.428 2.696 0 50 DFAA Cc1ccccc1O[C@H](C)CN1C(=O)[C@@H]2CCCCN2C1=O 170068424 PEAKOJCWLOAXIU-KGLIPLIRSA-N 302.374 2.579 0 50 DFAA CC(C)N1CCC(Nc2ccccc2N2CCN(C)CC2)CC1 170593823 QFXZVQVFRRBHCX-UHFFFAOYSA-N 316.493 2.723 0 50 DFAA Cc1ncccc1CN1CC[C@@H](CN(C)Cc2cccnc2)C1 190473102 VRGXSAIGDXMSSR-SFHVURJKSA-N 310.445 2.739 0 50 DFAA C[C@@H]1[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CCN1C 648726858 GSZNGZMVNROBLL-XOKHGSTOSA-N 318.417 2.523 0 50 DFAA CC[C@H](C)n1nc(C)cc1NC(=O)Cn1nc2ccccc2n1 1529119880 NLAVINHBWDUPKY-LBPRGKRZSA-N 312.377 2.546 0 50 DFAA O=C(CCc1cc(Cl)cs1)NC1(CF)CCOCC1 456060272 LSENPPRMHFCJAK-UHFFFAOYSA-N 305.802 2.969 0 50 DFAA c1cc(CSc2ncn[nH]2)cc(CSc2ncn[nH]2)c1 5737238 GMYGCQAECVINCD-UHFFFAOYSA-N 304.404 2.507 0 50 DFAA CCCc1sc(C(=O)N2CCOCC2)cc1Br 13328098 LMESQJRXBUHBQY-UHFFFAOYSA-N 318.236 2.936 0 50 DFAA Cc1ccc(CN2CC[C@@H](N3CCSCC3)CCC2=O)cc1 14978566 VHQOCNAUOCKGSG-KRWDZBQOSA-N 318.486 2.925 0 50 DFAA COc1ccccc1CNS(=O)(=O)Cc1ccccc1C 16578649 KPLDNFXTCJFJFE-UHFFFAOYSA-N 305.399 2.623 0 50 DFAA Cc1sc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n2c1C 16625561 YVIUVYBJVBLUDN-UHFFFAOYSA-N 317.345 2.764 0 50 DFAA O=c1c2cnc3ncnn3c2ccn1-c1cccc2ccccc12 19960586 NSJXXNSLWNWZRN-UHFFFAOYSA-N 313.320 2.582 0 50 DFAA Cc1cc(-c2cnc3cccc(F)c3c2)nc(N2CCOCC2)n1 1875242240 OYPSWMUFUZSYRL-UHFFFAOYSA-N 324.359 2.976 0 50 DFAA CCc1nc(N2CCc3nn(C)c(-c4ccccc4)c3CC2)no1 1875247652 NOMKIBPIEKHADZ-UHFFFAOYSA-N 323.400 2.638 0 50 DFAA Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(N)=O)nc2)c1 118997336 LNTKOYAISBTPEU-INIZCTEOSA-N 324.384 2.858 0 50 DFAA CCc1cc(C(=O)N2CC(c3cccc(Cl)c3)C2)n(C)n1 640383621 ICASEYDPGUIGSX-UHFFFAOYSA-N 303.793 2.876 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[C@H](N)C1 237149313 ZBNUEVXGENDSNK-JQWIXIFHSA-N 300.324 2.791 0 50 DFAA C[C@H](NC(=O)c1ccc(C(=O)O)s1)[C@H]1COc2ccccc21 237602049 MRFZIROFVSSFQH-GXSJLCMTSA-N 317.366 2.741 0 50 DFAA CCCn1nc(C)c(C(=O)N2CC[C@@H](OC)C(C)(C)C2)c1C 456135052 HBJXRFSZBZQETI-CQSZACIVSA-N 307.438 2.797 0 50 DFAA O=C(O)[C@@H]1CCCN1Cc1ccccc1OCC(F)(F)F 262630117 GWMBDWHIMKEROV-NSHDSACASA-N 303.280 2.677 0 50 DFAA Cc1cc([C@@](C)(O)CNCc2cccc3nsnc23)c(C)o1 1200702984 JNDUOLOSLRJHRP-INIZCTEOSA-N 317.414 2.898 0 50 DFAA OCC1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 917070572 GWDAZJLQNNMHTN-UHFFFAOYSA-N 311.307 2.857 0 50 DFAA CC1(C)C[C@@H](NC(=O)Nc2cc(Cl)ccc2F)C(=O)O1 952847839 CVNNTSXBEBVJOX-SNVBAGLBSA-N 300.717 2.695 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)c1cnn(C)c1C(F)(F)F 1875296338 RDCQLEINGHCOIS-SECBINFHSA-N 312.295 2.667 0 50 DFAA CCc1cccc(OCC(=O)N[C@H]2CCC[C@@H](C(=O)O)CC2)c1 1875287535 NKUPFQNXQRUEKI-CABCVRRESA-N 319.401 2.778 0 50 DFAA COC(=O)c1cc(F)cc(-c2ccc(=O)n(CC3CC3)c2)c1 1875283525 VOXZCGRSCCDXFW-UHFFFAOYSA-N 301.317 2.851 0 50 DFAA C[C@]1(c2ccccc2)CN(c2ncc(Cl)c(O)n2)CCO1 1875256815 DMGZMZSQHUUOKO-OAHLLOKOSA-N 305.765 2.588 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1snnc1C)CO2 1875277258 NCVNXHAQGOWXKK-JOYOIKCWSA-N 318.402 2.649 0 50 DFAA Cc1cccc(C)c1C(=O)NCCc1cnn(-c2ccccc2)n1 1875316359 KXTHPBRFVOBPBW-UHFFFAOYSA-N 320.396 2.857 0 50 DFAA Cc1oc(C(C)(C)C)cc1CN1CCC[C@@H](S(C)(=O)=O)C1 893613063 ICODMMTZDKAGQM-CQSZACIVSA-N 313.463 2.895 0 50 DFAA C[C@@H](O)c1ncc(CNc2nc3cc(F)ccc3n2C)s1 1179810775 QJFBXLLVZPISGZ-MRVPVSSYSA-N 306.366 2.834 0 50 DFAA CC(C)(C)OC(=O)c1ccnc(N2C[C@@H]3COC[C@@]3(C)C2)c1 894564097 OCVCRASLDZFXCY-CXAGYDPISA-N 304.390 2.510 0 50 DFAA CC(C)n1nccc1NC(=O)N1C[C@@H]2C[C@]2(C(F)(F)F)C1 1776002720 YWHMUXMMTKXUBM-CABZTGNLSA-N 302.300 2.880 0 50 DFAA CN(Cc1cc(F)cc(F)c1)CN1C(=O)SC(C)(C)C1=O 1320917192 LLQODTNSINSSDF-UHFFFAOYSA-N 314.357 2.828 0 50 DFAA CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)N2 13135564 YIWYCCIIKSCUQJ-VIFPVBQESA-N 321.789 2.619 0 50 DFAA C[C@@H](NC[C@@H](CO)Cc1ccco1)C1=Cc2ccccc2OC1 2325773805 HGTGVCNFZDZWKI-CABCVRRESA-N 313.397 2.885 0 50 DFAA C/C(=C\c1ccccc1)CN[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 2325785557 DLXBJDBUHONJHT-RHJFVXIKSA-N 311.429 2.716 0 50 DFAA CCc1ncc(CNc2ncnc3[nH]c(Br)cc23)[nH]1 2325796465 RZTYTEXGZMZWJR-UHFFFAOYSA-N 321.182 2.618 0 50 DFAA COc1ccccc1CNC(=O)c1ccc(Br)o1 382545 GWMWOXZHEHPRGN-UHFFFAOYSA-N 310.147 2.981 0 50 DFAA O[C@H]1CCN(c2nccn3c(-c4cc5ccccc5o4)cnc23)C1 2356162877 RXNVIJZSAHKAIB-ZDUSSCGKSA-N 320.352 2.714 0 50 DFAA CCOc1ccccc1OCc1nn2c(CC)nnc2s1 4487552 WFQUCRMDIBMSSK-UHFFFAOYSA-N 304.375 2.726 0 50 DFAA CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccncc1 4973692 FJLKJMKPXWUWEQ-CQSZACIVSA-N 300.358 2.564 0 50 DFAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccncc2)n1 4998377 PGRSSTMFJHLCJP-GFCCVEGCSA-N 308.341 2.931 0 50 DFAA CS(=O)(=O)Nc1cccc(C(=O)NCCC2=CCCCC2)c1 10333809 OUXCIBKRZZTNCP-UHFFFAOYSA-N 322.430 2.678 0 50 DFAA CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C)cc1 10544203 RRIZJWOXFMYWDG-INIZCTEOSA-N 324.490 2.928 0 50 DFAA CCS[C@@H]1CCCCN(C(=O)NCc2ccnc(C)n2)C1 112135028 QYYLSCKXISQJQC-CQSZACIVSA-N 308.451 2.602 0 50 DFAA 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0 50 DFAA COc1cccc(C(=O)NCC(=O)Nc2ccccc2Cl)c1 15408674 TVMXTFGLNREWFA-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1F 16647569 JPJMPDPAABXXDZ-UHFFFAOYSA-N 309.243 2.763 0 50 DFAA COc1cccc(CN2CCN([C@H]3CCC(C)(C)C3)CC2=O)c1 1857679658 PLQYQPZTOBJTKD-INIZCTEOSA-N 316.445 2.918 0 50 DFAA OC[C@H]1[C@H]2CN(Cc3csc4ccccc34)C[C@]23CC[C@H]1O3 1857715604 ZIXZBAWLXVYZJQ-BVIKNXMNSA-N 315.438 2.873 0 50 DFAA CN(C[C@H]1CCS(=O)(=O)C1)c1ccnc2ccc(Cl)cc12 607147824 AZBZYNCPVDUMPL-LLVKDONJSA-N 324.833 2.759 0 50 DFAA CCOc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C 528674 AMURJGJOPDSDPT-UHFFFAOYSA-N 308.403 2.951 0 50 DFAA Cc1nc(-c2cccs2)ccc1C(=O)N(C)C[C@@H](O)C1CC1 304939568 MMTBNAQUWXVNNP-OAHLLOKOSA-N 316.426 2.961 0 50 DFAA COc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1F 237334277 NEFDZEAAVFGDOT-WXHSDQCUSA-N 321.348 2.692 0 50 DFAA CCOc1ccc(CN2CCC(Cn3cncn3)CC2)c(C)c1 668011945 OPQDIBWSKLQDOO-UHFFFAOYSA-N 314.433 2.897 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c(F)c1 267175124 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2.955 0 50 DFAA CC(=O)c1ccc(N2CCN(c3nc(C)cnc3C)CC2)cc1 22077511 AFASAQJCEHHQPO-UHFFFAOYSA-N 310.401 2.623 0 50 DFAA COCC1(c2noc(-c3cnc(C4CC4)s3)n2)CCOCC1 349718277 LHPLAIYMZGZNHU-UHFFFAOYSA-N 321.402 2.765 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101335792 CUXKGUCXKYQWSO-XIRDDKMYSA-N 314.404 2.796 0 50 DFAA COCCN1CC[C@@H](CNCc2cccc(C(F)(F)F)c2)C1 65982302 OVVJVUHGZSXTBS-AWEZNQCLSA-N 316.367 2.763 0 50 DFAA O=C(Nc1cccc2[nH]cnc12)c1ccc(N2CCCC2)nc1 136272880 GPTGBCJRGRLPAA-UHFFFAOYSA-N 307.357 2.810 0 50 DFAA CCCN1CCC(N2CCN(Cc3ccccc3)CC2)CC1 22455837 TXSFCQALYCCOKV-UHFFFAOYSA-N 301.478 2.679 0 50 DFAA COc1ccccc1OCc1cc(C(=O)N2CCC[C@H]2C)n[nH]1 67982743 DHWSSTFGLRVRBU-GFCCVEGCSA-N 315.373 2.622 0 50 DFAA C[C@@H]1CCN(CC(=O)Nc2nncs2)[C@@H](c2ccco2)C1 229358007 FBJFMTYXUQFOQV-GHMZBOCLSA-N 306.391 2.543 0 50 DFAA CC(C)c1ncncc1C(=O)Nc1cccc(-c2nncn2C)c1 363636181 WQLSYARUVLBWSS-UHFFFAOYSA-N 322.372 2.648 0 50 DFAA c1ccc2c(N3CCOCC3)nc(Nc3ccncc3)nc2c1 41148932 XFFMKSQLGWMUHL-UHFFFAOYSA-N 307.357 2.605 0 50 DFAA O=C(Nc1ncn(Cc2ccccc2F)n1)c1ccc(F)cc1 2794113 WUOSVDXDWOCSLO-UHFFFAOYSA-N 314.295 2.857 0 50 DFAA C[C@@H]1CCS(=O)(=O)CCN1CCSC1CCCCC1 253398309 ILQWOKUZCLXCKJ-CYBMUJFWSA-N 305.509 2.561 0 50 DFAA NC(=O)[C@H]1CCCN1C(=O)CCCc1csc2ccccc12 151469906 ZYLQBRIJLRYEIZ-CQSZACIVSA-N 316.426 2.700 0 50 DFAA CCc1ccccc1OCCN1CCC[C@]2(C1)CN(C)C(=O)O2 72163756 FSDSOQCDYMCJJB-GOSISDBHSA-N 318.417 2.544 0 50 DFAA CO[C@H]1CCC[C@@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 129884400 MBSCARRNJGLAHT-STQMWFEESA-N 301.308 2.932 0 50 DFAA O=C(Cc1ccc(Cl)s1)N[C@@H]1c2ccccc2C[C@@H]1O 283176582 LAYQUTOPKVJNOT-SWLSCSKDSA-N 307.802 2.719 0 50 DFAA CC1(C)C[C@H](NC(=O)c2ccc(C(F)(F)F)nc2)CCO1 153929502 QIIGIYDVJVYYGG-SNVBAGLBSA-N 302.296 2.788 0 50 DFAA CCc1ccccc1C(=O)N(CCCOC)C1CCN(C)CC1 72476195 MPIHICSRXQLTLV-UHFFFAOYSA-N 318.461 2.822 0 50 DFAA CCc1nc(C)ccc1OCC(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71746681 GREVZQORFCLAKH-GEEKYZPCSA-N 314.429 2.836 0 50 DFAA COCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 14955701 GVPZDJRDQAFSBL-SFHVURJKSA-N 318.461 2.612 0 50 DFAA O=C(Nc1cccc2cnccc12)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 239761786 CKMRAEMRIIHEKQ-ZILJWTLNSA-N 311.385 2.763 0 50 DFAA Cc1nnc([C@H]2CC23CCN(C(=O)c2occc2C)CC3)o1 370866757 HOMKDYKZIMWXHN-GFCCVEGCSA-N 301.346 2.689 0 50 DFAA COc1cc(C)ccc1OCCC(=O)N1CCCC[C@@H]1[C@H](C)N 237107867 JYBFVCSRFGZRIO-LSDHHAIUSA-N 320.433 2.501 0 50 DFAA CN(C)C[C@@H]1CCCCN1C(=O)c1cncc(-c2ccccn2)c1 371646284 OEPHLYKVKNBGTD-KRWDZBQOSA-N 324.428 2.700 0 50 DFAA Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1 237468981 XNACWYCOWKBZBK-BXUZGUMPSA-N 322.405 2.573 0 50 DFAA COc1ccc2sc(C(=O)N3CCC[C@@H](N)C3)c(C)c2c1 158232842 CYLAWSUYAQHARF-LLVKDONJSA-N 304.415 2.782 0 50 DFAA CCOC(=O)C(=CCc1cc2ccccc2cn1)C(=O)OCC 45068993 KNQCKGUBYKXZIS-UHFFFAOYSA-N 313.353 2.830 0 50 DFAA CN(CCC(=O)O)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 263016675 SAJONLAKVPZXRR-RYUDHWBXSA-N 315.291 2.742 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 286810783 POIFHZAOKHVINM-ZDUSSCGKSA-N 322.449 2.629 0 50 DFAA CN(C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccc(F)cc1 220307825 AZPTYIPBPYVKFJ-INIZCTEOSA-N 320.408 2.600 0 50 DFAA Cc1nn2c(O)nncc2c1-c1cccc([C@H](C)N2CCCC2)c1 426519008 RDUBYTAKLFYBIY-ZDUSSCGKSA-N 323.400 2.962 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)c1cc(Cl)c[nH]1)C1CC1 426465276 PYCIZGHBWJZZBR-UHFFFAOYSA-N 306.797 2.823 0 50 DFAA CC(C)n1ccnc1[C@@H]1CCCN(c2cccc(C(=O)O)n2)C1 95353509 GWZRQUIVDUXMCM-CYBMUJFWSA-N 314.389 2.941 0 50 DFAA C[C@@H](Cc1cnccn1)N(C)Cc1ccc(Cn2cccn2)cc1 97730013 UXUXSJIRMSUGGE-INIZCTEOSA-N 321.428 2.784 0 50 DFAA COc1cccc2c1OC[C@@H](C(=O)NCC1=CCCCC1)C2 95360647 VRQRPOZMUBBRCC-HNNXBMFYSA-N 301.386 2.863 0 50 DFAA Nc1ccsc1C(=O)N1CCC[C@H](CN2CCCCC2)C1 91680575 UWPMHMUCSHQJIN-CYBMUJFWSA-N 307.463 2.668 0 50 DFAA Cc1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cnn1C(C)(C)C 180373192 DIVFVISDCHRHLO-CYBMUJFWSA-N 321.421 2.664 0 50 DFAA Cc1cc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)cc(C)n1 96159953 MQBDUMLJGLYSEF-KRWDZBQOSA-N 316.493 2.551 0 50 DFAA Cc1nn(C)c2nc(N(C)CCN(C)C3CCCC3)sc12 95510698 RMCIFSYZNXLUPR-UHFFFAOYSA-N 307.467 2.649 0 50 DFAA CC(=O)Nc1nc(CN2CCC[C@H]2c2cccn2C)cs1 181081373 IEQQDZAKFSMCMK-AWEZNQCLSA-N 304.419 2.777 0 50 DFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](c2ccccc2)C1 299370739 HZTOUIAXMYWMQN-ZFWWWQNUSA-N 302.418 2.553 0 50 DFAA COCC[C@@H]1CCCCN1CCC(=O)NCc1ccc(C)cc1 252488279 IOMKUQMPUPNWOU-SFHVURJKSA-N 318.461 2.892 0 50 DFAA CSc1ccc(C(=O)N2CC[C@@H](c3nc(C)no3)C2)cc1 299797147 MNAYKPPKGYLPRA-GFCCVEGCSA-N 303.387 2.730 0 50 DFAA CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ncc(C)[nH]1 822650316 BAXHOEFSCXBKRD-GFCCVEGCSA-N 313.810 2.801 0 50 DFAA COCCN1CC[C@@H](C(=O)N2CCC3(CCCCCC3)C2)C1 584903212 RKRNDEULUNLVCS-MRXNPFEDSA-N 308.466 2.528 0 50 DFAA CC(C)c1ncsc1C(=O)NC[C@H]1CCN(CC(F)F)C1 1434318159 ZBGRPJYIYPHSRO-SNVBAGLBSA-N 317.405 2.583 0 50 DFAA CCCN(Cc1ccncc1)C(=O)c1nnc(O)c2ccccc12 952872400 NVOFRNNBTJSMQE-UHFFFAOYSA-N 322.368 2.783 0 50 DFAA Cc1noc(C)c1CC(=O)N(c1ccccc1)[C@H]1CCOC1 170090574 RMBRJLMTMBEVDE-HNNXBMFYSA-N 300.358 2.656 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2cnn(CC)c2)CC1 408474400 VEWVBJSENPEOAA-IRXDYDNUSA-N 319.449 2.814 0 50 DFAA COc1ccc(F)cc1CNC(=O)[C@H]1COc2ccccc21 189343377 YJDUKYSFGAYCIY-AWEZNQCLSA-N 301.317 2.627 0 50 DFAA CC(C)(CO)NC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 280205971 PXSCQTJJLNPMSJ-STQMWFEESA-N 303.406 2.568 0 50 DFAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1nccc(N)n1 189491128 XVLHSPHTCFKDIL-SMDDNHRTSA-N 318.808 2.674 0 50 DFAA CC1(C)COCCN1Cc1ccn(-c2ccc(F)cc2F)n1 190199716 ZXWYSFZGVZVLSM-UHFFFAOYSA-N 307.344 2.761 0 50 DFAA CC(C)[C@H](CNC(=O)[C@@H]1CCOC[C@@H]1C)Nc1ccccc1 193177211 QRQCYXHHODBHFQ-UAGQMJEPSA-N 304.434 2.912 0 50 DFAA Cc1csc([C@H](C)C(=O)N2CCC(n3ccnc3)CC2)n1 667666414 LRAWRQPLMBTSPI-LBPRGKRZSA-N 304.419 2.615 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)CCc2ccon2)[C@H](C)CO1 669230092 VZENHPAMLCQZNP-RHSMWYFYSA-N 314.385 2.904 0 50 DFAA Cc1nnc(NC(=O)c2csc(N3CCCCC3)n2)s1 585132020 MUUJOXAPHANCCL-UHFFFAOYSA-N 309.420 2.546 0 50 DFAA Cc1ccc([C@H](C(=O)O)N2CCC3(CCCO3)CC2)cc1F 1529099956 JKJMDUVDPNFYJS-OAHLLOKOSA-N 307.365 2.905 0 50 DFAA COc1ccc(/C=C2/SC(=O)NC2=O)cc1Br 1188468 KCNLJTNNQJEBIE-WEVVVXLNSA-N 314.160 2.782 0 50 DFAA CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 316493 ROHXNJRSCCBYSP-CHWSQXEVSA-N 303.811 2.576 0 50 DFAA CN1C[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1=O 1772803956 BFEZQCHMFJKHKB-SFHVURJKSA-N 300.446 2.810 0 50 DFAA O=C(COc1ccccc1)NCCCc1nc2ccccc2[nH]1 5235864 KXOIKXUBHONXJN-UHFFFAOYSA-N 309.369 2.691 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC1CCCCCC1 12381975 SHNRMZNVZIJFIF-OAHLLOKOSA-N 306.406 2.873 0 50 DFAA CCCCN1C[C@@H](C(=O)Nc2ccc(OCC)cc2)CC1=O 13943953 VEJQMPURCPPUOK-ZDUSSCGKSA-N 304.390 2.672 0 50 DFAA CC(=O)c1cccc(-n2ccnc2-c2cnn3cccnc23)c1 1857702661 FZZCDJFXSSVRDB-UHFFFAOYSA-N 303.325 2.785 0 50 DFAA CCOc1ccc(-c2nccn2[C@H]2CCN(C)C2)cc1OC 1875251585 XOSXVGHCFHQJBF-AWEZNQCLSA-N 301.390 2.834 0 50 DFAA O=C(C[C@@H]1COC(=O)C1)Nc1cc(Cl)c(Cl)cc1O 408517425 HSLKCIFDMMCQAE-LURJTMIESA-N 304.129 2.591 0 50 DFAA CC(=O)Nc1ccc(S(=O)c2ccc(NC(C)=O)cc2)cc1 1679980 HABWONZJSRPOIE-UHFFFAOYSA-N 316.382 2.770 0 50 DFAA in-vitro Cc1n[nH]cc1C(=O)N1CCCN(c2ccccc2Cl)CC1 425315182 WDHJFSWSHIKRPG-UHFFFAOYSA-N 318.808 2.724 0 50 DFAA Cc1cc(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)oc1C 328613354 RPZDQMPUEBSYOB-CYBMUJFWSA-N 319.361 2.617 0 50 DFAA O=C(N1CCC(OC2CCCC2)CC1)[C@@]12CCCC[C@H]1CNC2 262559028 QHWTYJXLFKLVPH-HNAYVOBHSA-N 320.477 2.716 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CC(C)(C)NC(C)(C)C1 161575889 UTJSUFBDCNFLDY-JTQLQIEISA-N 306.454 2.555 0 50 DFAA CC1(C)C[C@H](NC[C@@H]2CCCc3ccc(C(=O)O)cc32)CO1 901877900 CVBFINWAPKEZFY-GJZGRUSLSA-N 303.402 2.962 0 50 DFAA Cc1nc(-c2ccc(C(=O)NC(C)(C)C(=O)O)s2)cs1 902203556 NOHCOVSKKIFJRL-UHFFFAOYSA-N 310.400 2.773 0 50 DFAA Cc1ccc([S@@](C)(=O)=NC(=O)[C@H]2CSCCS2)cc1 952992526 HRRURPNCPULNHT-CWTRNNRKSA-N 315.485 2.827 0 50 DFAA Nc1cnc(Cl)cc1-c1noc(-c2snnc2C2CC2)n1 1875275606 CAIWZTVUSMGGQZ-UHFFFAOYSA-N 320.765 2.763 0 50 DFAA N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ncnc2[nH]c3cc(F)ccc3c12 1875303761 LZQUNNCFVPHCGA-FQPOAREZSA-N 311.364 2.788 0 50 DFAA O=C(O)CCN[C@H]1CSCc2ccc(Br)cc21 1776004827 YULAWNKOOBGLEJ-NSHDSACASA-N 316.220 2.801 0 50 DFAA CCOC(=O)c1nc(Br)ccc1Br 40456709 FIFJOCLGVVDZFW-UHFFFAOYSA-N 308.957 2.783 0 50 DFAA in-vitro CC1(C)C[C@H](n2ncc3c(O)ccc(F)c3c2=O)C(C)(C)O1 899358568 YVUALTYAAUHQHI-LBPRGKRZSA-N 306.337 2.760 0 50 DFAA Cc1c(NC(=O)CN2CCC[C@@H](C)C2)ccc2nsnc12 4487999 QROWVZGJWNTOKO-SNVBAGLBSA-N 304.419 2.670 0 50 DFAA Cn1nc(C2CC2)cc1-c1cncc([C@@H]2OCC[C@H]2C(=O)O)c1 2325791833 AVOXABMSFOUNBJ-CJNGLKHVSA-N 313.357 2.522 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCNC4(CC4)C3)cc2)c1C 2325795659 RZNLWZHMYJLZAM-HNNXBMFYSA-N 324.428 2.960 0 50 DFAA Cn1nnc2c(CN3CCC[C@@H]([C@H]4CC4(F)F)C3)cccc21 2325806068 QSPUCRWEYIEUKK-DGCLKSJQSA-N 306.360 2.836 0 50 DFAA C[C@@](NC(=O)c1cc(Cl)c(Cl)[nH]1)(C(=O)O)C1CCC1 2325817161 YTUJQNNZQZAZQM-LBPRGKRZSA-N 305.161 2.695 0 50 DFAA Cc1ccc(Cl)c(S(=O)(=O)Cc2cnn(CCF)c2)c1 899505194 FDADLBIUXPAAAN-UHFFFAOYSA-N 316.785 2.788 0 50 DFAA C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2cccc3cccnc23)C1 1471817084 HLXLAJPEFAJBLJ-GFCCVEGCSA-N 306.369 2.793 0 50 DFAA CN1[C@H]2CC[C@H]1CN(C(=O)NC1CC(c3ccccc3)C1)CC2 245339109 QLXQINPFRPYDGI-FOIPXRHGSA-N 313.445 2.811 0 50 DFAA Cc1cc2c(cc1C)N[C@@H](CC(=O)NCc1ccccc1)C(=O)N2 46725 HMIIOMCTLWHCIA-KRWDZBQOSA-N 323.396 2.743 0 50 DFAA Cc1cc(C(=O)O)c2cc(I)ccc2n1 304823 GBYQKIVJBNZXTF-UHFFFAOYSA-N 313.094 2.846 0 50 DFAA COc1ccccc1C(=O)NC(=S)Nc1ncccc1C 309495 AMTFKXLEAYBKMF-UHFFFAOYSA-N 301.371 2.525 0 50 DFAA CCOC(=O)C1=C(NC(=O)C(F)(F)F)CC2=C1CCCC2 457233 FXBDLMDDXRQEAA-UHFFFAOYSA-N 303.280 2.756 0 50 DFAA COc1ccc2nc(NC(=O)CN3CCCCC3)sc2c1 1276322 HOWVDJCWVHXHLU-UHFFFAOYSA-N 305.403 2.729 0 50 DFAA COc1ccccc1CNC(=O)C(=O)Nc1ccc(C)c(C)c1 2299628 JTGATVMVZVRTDA-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA Cc1nc(CC(=O)N2CCC(OC(F)(F)F)CC2)cs1 2356151415 HLFFNNMWQHJRQM-UHFFFAOYSA-N 308.325 2.521 0 50 DFAA CCC[C@@]1(C(=O)O)CN(C/C=C/c2ccccc2)CC[C@H]1O 2356161817 LGFHDWIRCNNVEZ-KESHDOJXSA-N 303.402 2.638 0 50 DFAA CCOC(=O)[C@@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 4393236 URGGIWHBTZTAKC-CQSZACIVSA-N 315.373 2.512 0 50 DFAA COc1ccc(OC)c(NC(=O)c2noc3c2CCCC3)c1 7000292 JVNHHARQVRLOHH-UHFFFAOYSA-N 302.330 2.823 0 50 DFAA CCc1ccc(N2C[C@H](C(=O)Nc3ccncc3)CC2=O)cc1 7452361 HMTMRRWMONAZMW-CQSZACIVSA-N 309.369 2.636 0 50 DFAA CCOc1cc(-c2nnn(Cc3ccccc3)n2)ccc1OC 10337739 PENJYCBJYYOKGQ-UHFFFAOYSA-N 310.357 2.796 0 50 DFAA O=C(NCCc1c[nH]c2ccccc12)[C@H]1COc2ccccc2O1 8765006 FSEBQUMDOVOTRW-GOSISDBHSA-N 322.364 2.667 0 50 DFAA biogenic Cc1cc(C)n(C[C@@H](C)NCc2nncn2C2CCCCC2)n1 67879233 KTDTUFQRRMVHEJ-CQSZACIVSA-N 316.453 2.775 0 50 DFAA CS(=O)(=O)CC1(CN2CCCSc3ccccc32)CC1 348082141 SWLGSOXOLMRXRN-UHFFFAOYSA-N 311.472 2.814 0 50 DFAA COc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccccc1F 20397960 MFCSKJYSDGHBBN-NSHDSACASA-N 316.332 2.591 0 50 DFAA CCN(CC)Cc1nnc2sc(CCc3ccccc3)nn12 61722159 ZSZCGQQPYRZRMY-UHFFFAOYSA-N 315.446 2.813 0 50 DFAA Cc1ncsc1CCC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 331578091 SLGUPXKJRXSBQZ-GJZGRUSLSA-N 316.426 2.719 0 50 DFAA O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)[C@@H]1COCCO1 252500256 SQEXETPHODJGCD-INIZCTEOSA-N 323.352 2.584 0 50 DFAA CCN(Cc1cccc(OCCN(C)C)c1)[C@@H]1CCCC[C@H]1O 215191644 IIXIUOPXUUAVKW-RTBURBONSA-N 320.477 2.752 0 50 DFAA CCc1cnc(C)nc1N[C@H]1CC(=O)N(CC2CCCCC2)C1 72129739 SHRWMPFDKXMQAP-INIZCTEOSA-N 316.449 2.941 0 50 DFAA O[C@@]1(Cc2cccc(Cl)c2)CCN(c2nnc(C3CC3)o2)C1 329399244 VLPZJRGMFGVVSX-MRXNPFEDSA-N 319.792 2.784 0 50 DFAA Fc1cccnc1O[C@H]1CCCN(c2nc(C3CC3)ns2)C1 330137407 NTOKDXZDMCHJJG-NSHDSACASA-N 320.393 2.997 0 50 DFAA CCOc1ccc(CC(=O)N[C@H](CC)c2ccnn2C)cc1 218979446 RARPPKRATYBOLE-OAHLLOKOSA-N 301.390 2.629 0 50 DFAA O=C(c1ccncc1)N1CC[C@H](NCc2ccc3occc3c2)C1 367133064 JBMUMZYOECCEGP-KRWDZBQOSA-N 321.380 2.832 0 50 DFAA C[C@@H](C(=O)Nc1c[nH]nc1-c1nccs1)N1[C@H](C)CC[C@H]1C 334054217 TYBMCEHAAOEXKJ-MXWKQRLJSA-N 319.434 2.733 0 50 DFAA C[C@H]1CCCN(C(=O)/C=C/c2ccc3ccccc3n2)[C@@H]1CN 237636729 GXJZYKPZBDYHGR-LVDURTMUSA-N 309.413 2.834 0 50 DFAA COc1ccc(CCN[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC 241277596 LHLDRDWZNZTXQN-IAOVAPTHSA-N 305.418 2.649 0 50 DFAA CCc1nc2ccc(Cl)cn2c1C(=O)NCc1cc(C)no1 292273598 JBBXYHGVZLZZGW-UHFFFAOYSA-N 318.764 2.777 0 50 DFAA CCN(CC(=O)O)C1CCN(Cc2cc(F)ccc2C)CC1 263492325 IVWIKWJRRZHSIH-UHFFFAOYSA-N 308.397 2.505 0 50 DFAA O[C@]1(C(F)(F)F)CCN(Cc2cc(-c3ccccc3)on2)C1 225409255 QFZYJDSGWZPHDK-CQSZACIVSA-N 312.291 2.841 0 50 DFAA CC(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)nc1 179055598 PINRHTBITVQQBI-CHWSQXEVSA-N 305.422 2.584 0 50 DFAA Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H]1COc2ccccc2C1 179145488 JVOAWCHBBDOMRV-ABAIWWIYSA-N 314.385 2.905 0 50 DFAA CC(C)(N)C(=O)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 426727291 ASKBBAKAPSPDFH-IBGZPJMESA-N 321.509 2.619 0 50 DFAA Cc1ccc(C)n1CC(=O)N(C)C[C@H]1CCCN2CCCC[C@H]12 334160320 AYCSMHCNADWSOC-QZTJIDSGSA-N 317.477 2.828 0 50 DFAA CN(CCC[C@@H]1CCCO1)C(=O)NCCc1ccc(F)cc1 426595111 WXIJIFQEJFHVJF-MRXNPFEDSA-N 308.397 2.969 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1 238006067 KTSZBGYXMISXTA-CYBMUJFWSA-N 319.376 2.961 0 50 DFAA O=C(c1ncc(F)cc1F)N1CCCC[C@@H]1CCN1CCCC1 91365147 YIHWHAVMAXFKRR-CQSZACIVSA-N 323.387 2.840 0 50 DFAA O=C(Nc1cccc2ccccc12)N1CCC[C@](O)(CO)CC1 96152814 YNFHZUCJTVYVRK-GOSISDBHSA-N 314.385 2.581 0 50 DFAA COC(=O)Cc1ccc2oc(-c3ccc(N)c(F)c3)nc2c1 140463455 IFOVPCNSRFOADT-UHFFFAOYSA-N 300.289 2.932 0 50 DFAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1ccc(C)c(C)c1)C2 91656221 GGMFEFIUDOTWPT-DOTOQJQBSA-N 315.417 2.778 0 50 DFAA COCc1noc([C@H](C)N(C)CCOc2ccc(C)cc2)n1 181520202 ULFJCRKVAIEFEI-ZDUSSCGKSA-N 305.378 2.596 0 50 DFAA Cc1ccc(Cn2c[n+](CCCOc3ccccc3)cn2)cc1 252481064 CHLJUXGRPBCOCM-UHFFFAOYSA-N 308.405 2.996 0 50 DFAA COc1nccnc1N[C@H]1CCCN(Cc2ccccc2F)C1 534636930 YPTBMFSHMPIXRS-AWEZNQCLSA-N 316.380 2.701 0 50 DFAA CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccn1 451382787 XSXPLXIPIGVKAZ-GOSISDBHSA-N 309.413 2.707 0 50 DFAA O=C(NCCCc1ccccc1F)N1CCCN2CCC[C@H]2C1 373824243 JKTSKAVTELUFNM-INIZCTEOSA-N 319.424 2.638 0 50 DFAA O=C(CCc1nc(Cl)n[nH]1)NCc1csc2c1CCCC2 299799912 VXCCOMLIECZNIQ-UHFFFAOYSA-N 324.837 2.647 0 50 DFAA CCCc1nc(CNC(=O)CCN2CCCCCC2=O)cs1 299773975 HCNCMFOUPXQQEG-UHFFFAOYSA-N 323.462 2.505 0 50 DFAA CN(C)C(=O)c1cncc(NCCC2=CC[C@H]3C[C@@H]2C3(C)C)n1 823642023 UDEVSYOQCUXXQC-KBPBESRZSA-N 314.433 2.973 0 50 DFAA CSc1ncc(CN[C@@H]2CCN(c3ccccc3)C2)n1C 824958866 FVIKGPDOBJGFFO-CYBMUJFWSA-N 302.447 2.511 0 50 DFAA COc1cccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(C)=O)c1 824774966 ZNDVEFQIXAWQSS-KSZLIROESA-N 303.402 2.910 0 50 DFAA C=C=CCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1 585135814 DCQKXVGYWJSYCT-UHFFFAOYSA-N 307.781 2.639 0 50 DFAA O=C1CCCN1c1ccc(-c2ncnn2CC(F)(F)F)cc1 670447574 OAYJPRVHBHLAAP-UHFFFAOYSA-N 310.279 2.634 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)Cc1c(C)cc(C)cc1C 670452767 DNHULVVXQIJAHG-UHFFFAOYSA-N 304.434 2.575 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2CCC)cc1 1339218142 NZLSHMQYYNGXPY-MRXNPFEDSA-N 300.402 2.894 0 50 DFAA CCOC1CC(CC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C(C)C)C1 1457091192 LQWCLMKVJKQRRA-GPQLOAJWSA-N 322.493 2.913 0 50 DFAA O=C(NCCn1cc(-c2ccccc2)nn1)c1cccc(F)c1 1472404245 PIMISWYCPSRTJW-UHFFFAOYSA-N 310.332 2.514 0 50 DFAA COc1ccc2cc(NC(=O)N3CCC(=O)[C@H](C)C3)ccc2n1 170619528 UAYDRJBNORLWAT-LLVKDONJSA-N 313.357 2.686 0 50 DFAA NC(=O)c1cncc(N2CCC(c3ccc(Cl)cc3)CC2)n1 302348238 CXFUGKOQJVAKHY-UHFFFAOYSA-N 316.792 2.613 0 50 DFAA Cc1cc(Cl)ccc1C(=O)NCc1nnc(C(C)C)n1C 186534948 NMPKUPBVAHUTST-UHFFFAOYSA-N 306.797 2.830 0 50 DFAA Cc1nc(C)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)s1 408207759 XXEWIMDLXBSPCI-KBVBSXBZSA-N 309.435 2.639 0 50 DFAA Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(C)[nH]c3C)C2)cc1 634456139 WRXOUJRQGKUILF-QGZVFWFLSA-N 311.429 2.944 0 50 DFAA Cc1ncc(CC(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)o1 640046273 VZLWPMRJKOTDCK-INIZCTEOSA-N 318.348 2.573 0 50 DFAA Cc1ccc([C@H](C)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(C)n1 670158483 AOJDLPPAFYJLAK-ZVZYQTTQSA-N 318.461 2.917 0 50 DFAA CCOCCN(C[C@H](C)C(=O)O)C[C@H]1CCOc2ccccc21 1615002694 HIJMXXRZUMDUAL-LSDHHAIUSA-N 321.417 2.612 0 50 DFAA c1ccc2oc(Cn3cnc4c3CCNC43CCOCC3)cc2c1 1615588393 FUMPKEFVLOIEPV-UHFFFAOYSA-N 323.396 2.829 0 50 DFAA C[C@@H]1CN(Cc2ccn3ncnc3c2)C[C@H](c2ccsc2)O1 1615553602 XESBEHXGLIVKHU-IUODEOHRSA-N 314.414 2.753 0 50 DFAA CCc1c(C)noc1NC(=O)c1ccc(N2CCCC2=O)cc1 1529106339 NALQGFWBVQXQQC-UHFFFAOYSA-N 313.357 2.925 0 50 DFAA Cc1ncc(Cl)c(NC2CCN(C(=O)c3ccco3)CC2)n1 1704306651 XLMWWSVQASYQLZ-UHFFFAOYSA-N 320.780 2.748 0 50 DFAA O=C(Nc1cccc(-n2cnnn2)c1)c1cc2ccccc2o1 5485432 JAYFCSKXMMZWGC-UHFFFAOYSA-N 305.297 2.661 0 50 DFAA CC(C)NC[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 12432328 WEKQIEUHOVMPJL-LJQANCHMSA-N 318.461 2.662 0 50 DFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2CCSC)cc1 14881984 WWRZELNHTMLRAO-HNNXBMFYSA-N 322.474 2.529 0 50 DFAA CN(c1ncccc1CNC(=O)[C@@H]1CCOC1)C1CCCCC1 15075036 SFRYWUDNGARXGX-OAHLLOKOSA-N 317.433 2.503 0 50 DFAA CC(C)(C)c1csc([C@H]2CN(C(=O)[C@H]3CCCO3)CCO2)n1 239672740 BUYYGKOBSLURMR-VXGBXAGGSA-N 324.446 2.520 0 50 DFAA Cc1nc(O)c2ccc(-c3nc(-c4ccc(F)cn4)no3)cc2n1 904941061 PBWFYYBCWONZAP-UHFFFAOYSA-N 323.287 2.895 0 50 DFAA C[C@H]1Oc2ccc(CNC(=O)/C=C/CN3CCCC3)cc2[C@H]1C 1875337973 KWYAUYMFWYZAOB-ICWYTKJFSA-N 314.429 2.839 0 50 DFAA Cc1cc(C(F)(F)F)nn1CCNc1ncnc2[nH]ccc12 895426291 SIUZMXMFPRAQNT-UHFFFAOYSA-N 310.283 2.594 0 50 DFAA CN(C)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 35002 RGFPVIZDMQZCSP-UHFFFAOYSA-N 303.450 2.792 0 50 DFAA Cc1ccc2[nH]cc(CCN3C(=O)OC(C)(C)[C@]3(C)O)c2c1 1427413 YWJYGYMVCRYFEI-KRWDZBQOSA-N 302.374 2.958 0 50 DFAA CC[C@H](CC(F)(F)F)CS(=O)(=O)N[C@H]1CSC1(C)C 2325782576 JELOUNLFLWSINC-BDAKNGLRSA-N 319.414 2.778 0 50 DFAA Cc1cc(C)cc(C2(C(=O)N[C@@H](C)C(C)(C)C(=O)O)CC2)c1 2325790709 CMLZLBFBYHXODZ-ZDUSSCGKSA-N 303.402 2.951 0 50 DFAA Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(N)=O)c1C 144568 NWDQHDNNYSYWSS-UHFFFAOYSA-N 312.369 2.728 0 50 DFAA COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)O)cc1 200320 DEEOWAKBIYQXOC-UHFFFAOYSA-N 301.298 2.654 0 50 DFAA COc1ccc(C(=O)NCc2ccco2)cc1Br 529051 WJJLPERERCTTAO-UHFFFAOYSA-N 310.147 2.981 0 50 DFAA O=C(O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 759166 VIENUVCQPMWYIQ-UHFFFAOYSA-N 314.248 2.570 0 50 DFAA O=C1NC[C@H]2CN(Cc3cccc4c3oc3ccccc34)C[C@@H]12 2356134876 GNTHXXDQCHYSCZ-XJKSGUPXSA-N 306.365 2.764 0 50 DFAA CC(C)(C)OC(=O)N[C@H](Cc1cc(F)c(F)c(F)c1)C(=O)O 2569506 CWPLICWOIFEQMR-SNVBAGLBSA-N 319.279 2.624 0 50 DFAA biogenic CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(N)c1 6659424 QUFSIDPXKMUZQP-UHFFFAOYSA-N 301.298 2.967 0 50 DFAA O=C(CN1CCCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 51093352 JKOIDFQQACOQBP-KRWDZBQOSA-N 315.461 2.505 0 50 DFAA O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1 55062629 WVXANLYFMIWNPV-UHFFFAOYSA-N 313.376 2.586 0 50 DFAA OC[C@]1(Cc2ccc(F)cc2F)CCCN(c2ncccn2)C1 67726508 CWBFETPTJJRPBN-KRWDZBQOSA-N 319.355 2.576 0 50 DFAA CN1CC[C@@]2(CCCN(C(=O)c3nc4c(s3)CCCC4)C2)C1 67541682 TVHCBQRHENAQMP-KRWDZBQOSA-N 319.474 2.580 0 50 DFAA CCCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 20595238 KWDDIKWMQXMYBU-UHFFFAOYSA-N 313.804 2.716 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)no1 252491886 LYJDXAONVGDYMT-CMPLNLGQSA-N 323.393 2.501 0 50 DFAA CCOC(=O)c1sc([C@H](C)NC(=O)[C@@H]2[C@H]3CCC[C@H]32)nc1C 252517890 UIYCYJDVWJXULA-NNYUYHANSA-N 322.430 2.852 0 50 DFAA CCc1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)o1 39394571 ODBIHBRLWPCAOV-MRXNPFEDSA-N 308.466 2.757 0 50 DFAA CCOc1cccc(-c2cccc(NC(=O)c3ncn(C)n3)n2)c1 356171474 MSGGWEKPMHUFBZ-UHFFFAOYSA-N 323.356 2.528 0 50 DFAA Cc1cscc1NC(=O)C(=O)N(C)[C@H](C)c1ccncc1 126256276 KTHNABRNVHXHSB-LLVKDONJSA-N 303.387 2.610 0 50 DFAA COc1ccccc1[C@H]1CCCN1C(=O)c1c[nH]cc(C)c1=O 332005733 WASZGCZYLBOINI-OAHLLOKOSA-N 312.369 2.669 0 50 DFAA CNC(=O)C(=O)N1CC[C@H](c2cccc(Oc3ccccc3)c2)C1 367380549 ADPXYNOWVMNJTQ-HNNXBMFYSA-N 324.380 2.541 0 50 DFAA Cc1c(Cl)cccc1CNC(=O)CCCN1CCCC1=O 215716238 RSGVSSFHIQYHNT-UHFFFAOYSA-N 308.809 2.667 0 50 DFAA CCC(CC)CN1CCN(Cc2ccc(C)o2)[C@H](CCO)C1 39394240 IYBMIRSBJPORPQ-QGZVFWFLSA-N 308.466 2.893 0 50 DFAA CC1(C)CN(Cc2cnc(C3CC3)nc2)C[C@@H](C(F)(F)F)O1 459557144 LJACMWBYLHEURF-LBPRGKRZSA-N 315.339 2.896 0 50 DFAA CC(C)(O)CCc1ccc(CN2CCN3CCC[C@@H]3C2)cc1 72410007 BSMIERKJWSJYKK-GOSISDBHSA-N 302.462 2.670 0 50 DFAA C[C@H]1C[C@@H](C(=O)N[C@H](C)CC(=O)c2cccs2)CCN1C 240900791 IUABLPMUICLBIS-AGIUHOORSA-N 308.447 2.556 0 50 DFAA CCn1ncnc1[C@H](NC(=O)c1ccc(C)c(F)c1F)C1CC1 218941932 CATWBFRWFALCSE-CQSZACIVSA-N 320.343 2.766 0 50 DFAA CCO[C@H](C)C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 242346857 ZJQYZOVVWVQTLT-WQVCFCJDSA-N 307.390 2.732 0 50 DFAA CSCc1noc(CNc2cc(C(C)C)nc3ccnn23)n1 72167973 ZGMUMFBOOCVPFJ-UHFFFAOYSA-N 318.406 2.711 0 50 DFAA CC(C)n1ncc2ccc(NC(=O)N3CC[C@@](F)(CO)C3)cc21 338439131 LFKDTOCKFIYZQB-INIZCTEOSA-N 320.368 2.555 0 50 DFAA CN1CCC(N2CCC[C@H](NC(=O)C3CCCCCC3)C2)CC1 20207321 PNEUDHFGVFLXAU-KRWDZBQOSA-N 321.509 2.632 0 50 DFAA CON1CCC(CC(=O)N[C@H]2CCCc3cc(F)ccc32)CC1 613167607 WHHDWXODFOBDOR-KRWDZBQOSA-N 320.408 2.983 0 50 DFAA O=C(CCc1ccncc1)N1CCCC[C@H]1CCn1cccn1 82161416 GENHRYQNLUXSGW-KRWDZBQOSA-N 312.417 2.682 0 50 DFAA Cc1noc([C@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)n1 95374765 UDTARIZMWYBIKL-OAHLLOKOSA-N 320.437 2.552 0 50 DFAA C[C@@H](O)c1nc(C2CCOCC2)nn1-c1ccc2c(c1)CCC2 97797207 OHSUSOQWLNWIRX-GFCCVEGCSA-N 313.401 2.703 0 50 DFAA CCOc1cc(CN2CCC[C@@H](CN)C2)c(Cl)cc1OC 97756409 BNQMDAAFGOACCO-LBPRGKRZSA-N 312.841 2.918 0 50 DFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(Cc2cc(O)nc(C)n2)C1 92045432 UJBIHBFRIJHWQQ-KRWDZBQOSA-N 319.405 2.514 0 50 DFAA Cc1cc(F)ccc1-n1cc(C(=O)N2C[C@H]3CCC[C@H]3C2)nn1 179410704 LLGDBTBOBUHSBI-BETUJISGSA-N 314.364 2.587 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@]3(CCCO3)CC2)n(C)n1 97822982 JSVZEJDJTXIOQO-KRWDZBQOSA-N 305.422 2.719 0 50 DFAA COc1ccc(-c2cc(-c3nc([C@@H]4CCOC4)no3)[nH]n2)cc1 96140130 SDEYFIZVAORHDF-LLVKDONJSA-N 312.329 2.639 0 50 DFAA COc1ccccc1N1CCN(C[C@H]2CCOC2)CC1(C)C 244724107 MNSXXNKWHBDNMV-OAHLLOKOSA-N 304.434 2.632 0 50 DFAA CCn1cc(CNc2nc3cc(CCOC)ccc3o2)cn1 181868989 QANXFODQIFQQER-UHFFFAOYSA-N 300.362 2.845 0 50 DFAA Cc1cnn([C@@H](C)CNC2CCN(Cc3ccco3)CC2)c1 534586290 UWYNFJXVGLYOAS-HNNXBMFYSA-N 302.422 2.600 0 50 DFAA c1cc(C2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)n[nH]1 299792400 FDRJLRSXSPMIPS-FUHWJXTLSA-N 302.466 2.854 0 50 DFAA CN(CC1(C)COC1)C(=O)Cc1ccccc1C(F)(F)F 584903515 NYQAPBHSMCBHOS-UHFFFAOYSA-N 301.308 2.743 0 50 DFAA CC[C@H](NC(=O)N1CCC(Oc2ccncc2)CC1)C1CC1 670441786 WPSXDMYRROKCSZ-INIZCTEOSA-N 303.406 2.823 0 50 DFAA O=C(NCc1nc2ccc(F)cc2[nH]1)NCc1cccs1 952970661 WGOLYOPJNOMXLO-UHFFFAOYSA-N 304.350 2.763 0 50 DFAA COc1ccccc1[C@@H]1CCN(C(=O)NCC2(OC)CCC2)C1 272629473 YMOBKLJPYIYQDM-CQSZACIVSA-N 318.417 2.763 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2cc3ccccc3s2)n1 275285523 LJDIIEWFYDDURB-TZMCWYRMSA-N 315.398 2.901 0 50 DFAA NC(=O)c1ccc(CNC[C@@H]2CCO[C@@H]2c2ccccc2)s1 170040335 OGQAMSNSPTXZSR-XJKSGUPXSA-N 316.426 2.714 0 50 DFAA C[C@@]1(CNC(=O)c2ccc3nc(S)oc3c2)CCCC[C@H]1O 170651969 RPQMEQLZTDXPNL-CJNGLKHVSA-N 320.414 2.788 0 50 DFAA Brc1csc(CNc2ncnc3[nH]ncc23)c1 170633649 QRDXHNLTYUNXMX-UHFFFAOYSA-N 310.180 2.789 0 50 DFAA CC(C)=CC(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1 408516138 SARJKIGXUPGGEH-INIZCTEOSA-N 310.482 2.673 0 50 DFAA C[C@@](O)(CNC(=O)c1c[nH]nc1C1CC1)c1ccccc1Cl 191031465 DKXRVRGZGVJXDN-MRXNPFEDSA-N 319.792 2.578 0 50 DFAA CC(C)(C)n1cc(C(=O)NCc2nccc3ccccc23)nn1 191703875 IZYRYVIQTVLNNV-UHFFFAOYSA-N 309.373 2.511 0 50 DFAA Cc1c(Br)ccc(NS(=O)(=O)C2CC2)c1F 193470487 BZCWZTQRFNCFPE-UHFFFAOYSA-N 308.172 2.801 0 50 DFAA C[C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cn2)CC1 194884214 FNKMZKVNZCXOMT-CQSZACIVSA-N 318.421 2.572 0 50 DFAA CCOc1cc(CNCc2cc(C)nn2C)c2c(c1)C[C@H](C)O2 585081231 LSFCVRNRNDBJRT-ZDUSSCGKSA-N 315.417 2.740 0 50 DFAA COCc1ncc(CNc2nc3cc(C)ccc3s2)c(N)n1 1640105426 NAYNBLBKGMVBIJ-UHFFFAOYSA-N 315.402 2.735 0 50 DFAA Fc1ccc(OC[C@H]2CCOC2)c(-c2cnc3n2CCOC3)c1 1616043312 YGUCVPUZYRYOIR-LBPRGKRZSA-N 318.348 2.635 0 50 DFAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cccc(Cl)c3)CCN21 1616073414 NLBJYPALJSFECG-CVEARBPZSA-N 322.836 2.665 0 50 DFAA Cc1nn(C)c(NC(=O)CCn2nccc2C)c1-c1ccccc1 1529189754 XKRTVJKAFSMWLC-UHFFFAOYSA-N 323.400 2.929 0 50 DFAA Cc1cccc(Cl)c1CN(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704300689 YJWHSLSLQOTTHW-HZSPNIEDSA-N 306.837 2.995 0 50 DFAA Cc1[nH]nc(-c2nccn2Cc2cccn3nccc23)c1Cl 1772810369 LDBIJJFTYHHJOT-UHFFFAOYSA-N 312.764 2.931 0 50 DFAA CC(C)C1(CNS(=O)(=O)Cc2c(F)cccc2F)CC1 164358848 APWRFLHIVSQCAR-UHFFFAOYSA-N 303.374 2.820 0 50 DFAA Cc1ccc(C)c(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)c1 13955722 BKININYJVQZVEU-HNNXBMFYSA-N 300.402 2.669 0 50 DFAA COc1cccc(CN2CCC[C@@]3(CCN(C(C)C)C3)C2=O)c1 14960459 HXBPYUWKCMGFOT-IBGZPJMESA-N 316.445 2.918 0 50 DFAA CCCc1cc(CNC(=O)c2ccc(N3CCCC3)nc2)on1 19228519 DLUTUPJCMQLLQG-UHFFFAOYSA-N 314.389 2.552 0 50 DFAA N[C@H]1CC[C@@H](n2ccnc2-c2ccc3c(c2)OC(F)(F)O3)C1 1857670485 PGWMNIYJZZNOEL-WDEREUQCSA-N 307.300 2.924 0 50 DFAA CCCOc1ccc(NC(=O)[C@@H]2CCCC(=O)N2C)cc1F 913335238 ORTQLMALKRNMJA-ZDUSSCGKSA-N 308.353 2.564 0 50 DFAA CCc1nc(C)cc(N2C[C@H](O)C[C@H]2c2cccc(OC)c2)n1 225474919 VGTWWVSPIHSCTQ-ZBFHGGJFSA-N 313.401 2.668 0 50 DFAA O=C(O)Cc1cccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c1 1875247947 WFYXGTKTFVFRSM-UHFFFAOYSA-N 312.369 2.935 0 50 DFAA CN1CC[C@H](NC(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 253371037 ZUNOQSLBYKIHNR-DLBZAZTESA-N 314.360 2.707 0 50 DFAA CCc1cc2c(N3CCC[C@H](C(=O)O)C3)nc(C)nc2s1 20318977 AHJXNBUMXQDOCP-JTQLQIEISA-N 305.403 2.863 0 50 DFAA CCC1(CC)[C@H](NC(=O)N(C)Cc2cscn2)C[C@H]1OC 158095370 JVNXCBFJZCEXKK-CHWSQXEVSA-N 311.451 2.878 0 50 DFAA O=C(c1ccoc1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 378333293 CHHVKBVPWWDALS-MRXNPFEDSA-N 305.761 2.753 0 50 DFAA Nc1ccc(CN2CCC[C@H]2COc2ccc(Cl)cc2)nn1 904337191 QIKWRFJMDWBNLQ-AWEZNQCLSA-N 318.808 2.756 0 50 DFAA Cc1ncc2n1CC[C@H](C(=O)Nc1cnn(C3CCCC3)c1)C2 928792667 JQMDTOVWIBTTQW-ZDUSSCGKSA-N 313.405 2.704 0 50 DFAA CC(=O)N(C)c1ccc(NC(=O)NCC2CCC=CCC2)cn1 931765921 PXALVIJVKIFRFW-UHFFFAOYSA-N 316.405 2.932 0 50 DFAA C[C@H](NC(=O)/C=C/CN(C)C)c1cc(Cl)cc2c1OCC2 1875376561 BCAQNJYNKPCWNP-ZWNMCFTASA-N 308.809 2.570 0 50 DFAA COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cncc(O)c2)cc1 886272922 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20291865 DQMWMVMLOKYPFH-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA CC(C)Oc1cccc(CNS(=O)(=O)c2ccccc2)c1 10543823 AYOQZJSJEGKQJL-UHFFFAOYSA-N 305.399 2.952 0 50 DFAA COc1cccc(CN(C)C(=O)c2cnn3ccc(C)cc23)c1 347142095 TZVZDVZCQJEFGZ-UHFFFAOYSA-N 309.369 2.924 0 50 DFAA CCOC(=O)N1CCN(CCC(=O)c2ccc(Cl)cc2)CC1 20058864 LFDWIOMUOCSKOM-UHFFFAOYSA-N 324.808 2.687 0 50 DFAA aggregator CC(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 229705029 ZUZVSDGILJGUOM-RVKKMQEKSA-N 306.450 2.576 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 331565767 JTSKCRFLNFIFHW-RISCZKNCSA-N 322.311 2.518 0 50 DFAA Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O 67640717 QGKJIYVVYRXIFJ-JTQLQIEISA-N 310.353 2.701 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1ccsc1 328598126 KCZBHICUIIGOCY-LLVKDONJSA-N 312.441 2.920 0 50 DFAA CC[C@@H]1CN(C(=O)c2coc3ccccc23)C[C@@H](C)[S@]1=O 331971205 NEGOHBVVXRXPGV-JWCBKOKGSA-N 305.399 2.804 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cnc(C3CC3)s2)cn1 328647678 UEJPKODCNDXEOZ-LSDHHAIUSA-N 318.446 2.764 0 50 DFAA C[C@@H]1CN(C(=O)NCCO[C@H]2CCCC[C@H]2C)CC(C)(C)O1 252680160 WRJKREMMRVEJMB-KFWWJZLASA-N 312.454 2.791 0 50 DFAA O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 281713436 AZRLJZWNXOMNJO-HIFRSBDPSA-N 316.332 2.639 0 50 DFAA CC1(C)[C@@H](NCC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 123057557 HHMCJZDIQSTBAD-STQMWFEESA-N 314.351 2.837 0 50 DFAA C[C@H]1OCC[C@@]1(C)NC(=O)c1cc(-c2ccc(F)cc2)on1 332225503 ZMUNVBFRXWCGIY-QLJPJBMISA-N 304.321 2.778 0 50 DFAA Cc1cc(C)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c(=O)[nH]1 215468531 SUSFIEHKSKQJMP-OAHLLOKOSA-N 311.385 2.754 0 50 DFAA COc1ccccc1CCC(=O)N1CCCC[C@@H]1CCC(=O)O 218890826 VLBFROBNARATGP-OAHLLOKOSA-N 319.401 2.874 0 50 DFAA Cc1cc(C)nc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1 253428345 CVDKJMZFJVZHGQ-OAHLLOKOSA-N 310.401 2.583 0 50 DFAA CCn1nccc1CCN1CCO[C@@]2(CCc3ccccc32)C1 253419686 BBWXJUCYENBABM-IBGZPJMESA-N 311.429 2.619 0 50 DFAA Cc1ccc(NC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cc1F 363305436 BQCLOPRHTTXRHS-ZDUSSCGKSA-N 316.380 2.964 0 50 DFAA Cc1cc(F)cc2[nH]c(C(=O)N3CC([C@@H]4CCOC4)C3)cc12 366221598 FXRONBXVJRVXEA-LLVKDONJSA-N 302.349 2.724 0 50 DFAA Cc1cc(Br)cc(C(=O)N[C@@H](C)[C@@H]2CCOC2)c1 128247955 JEQSCEFDNUXAEC-WDEREUQCSA-N 312.207 2.912 0 50 DFAA CC(C)(O)CCc1ccc(C(=O)NCCc2nccs2)cc1 72475413 IMTZMBVGYFYPRQ-UHFFFAOYSA-N 318.442 2.819 0 50 DFAA COc1ccc2[nH]nc(C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)c2c1 71415711 JRXYZRQODDBHAU-HGSJOUDDSA-N 311.385 2.690 0 50 DFAA COc1ccc2c(CC(=O)N3CCC[C@@H]([C@@H](C)N)C3)coc2c1 156366452 JSGNXKVZNFAPJV-CHWSQXEVSA-N 316.401 2.570 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 238097441 JPTOHNVCXQHZMY-JTQLQIEISA-N 320.732 2.542 0 50 DFAA CCc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3[nH]2)nc1 215150399 VQJCTZZVPXEUFS-UHFFFAOYSA-N 321.380 2.758 0 50 DFAA O=C(O)CCN1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 238164301 JTLHGOSYWNCIRN-JTQLQIEISA-N 304.173 2.921 0 50 DFAA CN1CCC[C@@]2(CCN(C(=O)c3ccc(C(F)(F)F)[nH]3)C2)C1 452151126 NTJMZYRMBHYMCP-CQSZACIVSA-N 315.339 2.591 0 50 DFAA CC(C)[C@@H]1CN(Cc2ccccn2)CCC(=O)N1CC1CC1 71759722 CHAIMFQBQYRNOK-KRWDZBQOSA-N 301.434 2.551 0 50 DFAA COCC(=O)Nc1cccc(-n2ccnc2-c2ccncc2)c1C 77525354 NPTISMWYPJIEFX-UHFFFAOYSA-N 322.368 2.828 0 50 DFAA COCc1nc(N[C@@H](C)CCc2ccco2)c2cnn(C)c2n1 72129202 DAXHUNIBGYAKAC-NSHDSACASA-N 315.377 2.536 0 50 DFAA O=C1NC[C@]2(CCCN(C(=O)c3cc4ccccc4s3)C2)O1 72148608 SVTUOONRSQBDAZ-INIZCTEOSA-N 316.382 2.616 0 50 DFAA COc1cc(-c2nc(C)nc3c2CCC3)cc(OC)c1OC 216443557 URCKXBMLCDDSMZ-UHFFFAOYSA-N 300.358 2.967 0 50 DFAA C[C@@H]1C[C@@H](C(=O)O)CN(Cc2ccc(OC(F)F)c(F)c2)C1 263107993 YDVPGMRBKLNBSA-MWLCHTKSSA-N 317.307 2.970 0 50 DFAA CCOc1ncccc1C(=O)NCCCc1scnc1C 223253320 YAGHOFIQMRGXTJ-UHFFFAOYSA-N 305.403 2.608 0 50 DFAA COCC1(CNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)CCCC1 223682996 JSXZNSDXFFVRNZ-OAHLLOKOSA-N 322.836 3.000 0 50 DFAA COCc1n[nH]c([C@@H]2CCCCN2Cc2cccc(F)c2F)n1 289157950 QVHQDITXKHGVKJ-ZDUSSCGKSA-N 322.359 2.957 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c(C)c1 47977433 DAVNXJQVYSDBAW-CQSZACIVSA-N 303.406 2.636 0 50 DFAA O=C(NCCSc1cn[nH]n1)c1cccc(-c2ccco2)c1 221182646 ZPUFNTOFVVDCPE-UHFFFAOYSA-N 314.370 2.587 0 50 DFAA CC(=O)c1c(-c2ccc([C@H](C)N3CCOCC3)cc2)cnn1C 426433558 FMOHSGKNNXHUAS-ZDUSSCGKSA-N 313.401 2.683 0 50 DFAA COCc1nc(CNC(=O)c2c[nH]c(C(F)(F)F)c2)cs1 292525940 UPHOAIONJDGEKX-UHFFFAOYSA-N 319.308 2.566 0 50 DFAA CCCSc1ccccc1NC(=O)N1CC[C@@H](NC(C)=O)C1 96149151 AVLFIBANEMEVKZ-CYBMUJFWSA-N 321.446 2.931 0 50 DFAA Cc1cnccc1CNC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 293443852 VKTJNSAKKKZJRI-AWEZNQCLSA-N 324.428 2.951 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NC[C@H]3CC[C@@H](CO)O3)oc12 293676757 MVXRRNYKEREVFW-KGLIPLIRSA-N 317.385 2.628 0 50 DFAA C[C@H](O)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95501223 NMULYQSAZWFHPY-INIZCTEOSA-N 309.409 2.976 0 50 DFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 239164971 NGDKSUMWAZNTCW-XOYOTBSWSA-N 317.344 2.646 0 50 DFAA Nc1ncccc1CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95365302 PVSHSWXWJAJYKE-HNNXBMFYSA-N 311.385 2.742 0 50 DFAA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 298544283 DCBOGSVZQAYGIX-RISCZKNCSA-N 318.352 2.610 0 50 DFAA COc1nc(C(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)co1 625842681 UDQKROPECRWOEO-IUODEOHRSA-N 316.357 2.594 0 50 DFAA Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 299739920 SXGYLRAFFVYUKL-SJORKVTESA-N 318.461 2.967 0 50 DFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccccn2)n[nH]1 827933022 SOZFNNHNULZBOW-QGZVFWFLSA-N 321.384 2.788 0 50 DFAA c1coc(CN2CCC(N3CCC[C@H](c4cc[nH]n4)C3)CC2)c1 670451120 VBGQNWHWBKXAEB-HNNXBMFYSA-N 314.433 2.847 0 50 DFAA CCOc1ccc(CN(C)C[C@H]2CCOC2)cc1CN(C)C 670447556 QDDHPFLPOYRGMG-MRXNPFEDSA-N 306.450 2.615 0 50 DFAA CCCc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)no1 670449715 BMOIINCUMKMSRS-UHFFFAOYSA-N 320.824 2.998 0 50 DFAA Cc1ccc2oc(NC[C@@H]3CCO[C@@H]3c3n[nH]c(C)n3)nc2c1 685940129 UILAFDNEASVIAO-FZMZJTMJSA-N 313.361 2.752 0 50 DFAA CCn1ccc(C(=O)Nc2nn(CC(F)F)c3ccccc23)n1 1350024093 GQHACBUEBKHYMT-UHFFFAOYSA-N 319.315 2.770 0 50 DFAA CC[C@@H]1C=CCN1C(=O)CCc1nc2ccccc2nc1OC 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CCC[C@@H]1CN(C(=O)NCc2ccc3ncccc3c2)CCO1 194602736 WAMZZCGCGDJHSX-MRXNPFEDSA-N 313.401 2.945 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CC[C@@]2(CCOC2)C1 195538008 ORQPJORRQFYDTP-JDSLSITLSA-N 322.355 2.643 0 50 DFAA CC[C@H]1CO[C@H](CC)CN1C(=O)C[C@@H]1NCc2ccccc21 659327392 NGSCFLQWCOBVMD-UXLLHSPISA-N 302.418 2.637 0 50 DFAA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CCc1ccon1 668040663 BDJDHNMZMBTCQN-MRXNPFEDSA-N 314.385 2.986 0 50 DFAA c1ccc(CN2CCC[C@@H](c3nc(-c4cn[nH]c4)no3)C2)cc1 585120581 WYFRZBKWXOLIMQ-CQSZACIVSA-N 309.373 2.839 0 50 DFAA CC(=O)c1cnc(N(C)Cc2ccccc2CN(C)C)nc1C 1704307167 VBDPCRWGWBTFGJ-UHFFFAOYSA-N 312.417 2.686 0 50 DFAA COc1ccc2c(c1)OCCC[C@@H]2NCC[C@@H](C)[S@](C)=O 230464973 HIBBGXNRGBDLKT-RKFVTTHHSA-N 311.447 2.656 0 50 DFAA Cc1ccc(CN2CCN(C(=O)COc3ccccc3)CC2)cc1 19855152 NCACPXFOGWSZLC-UHFFFAOYSA-N 324.424 2.718 0 50 DFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 408474877 WFVKJHGKSONPQL-LSDHHAIUSA-N 305.422 2.567 0 50 DFAA Cc1c(Cl)c(C(=O)NC[C@H](c2cccnc2)C(C)C)nn1C 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CCc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)O)o1 952889483 AEIDOGZBCYCFTG-LBPRGKRZSA-N 317.345 2.631 0 50 DFAA CC1(C)CC[C@H](Cn2cnc3c(nnn3-c3ccccc3)c2=O)C1 1875265631 NBRNWBNZPBUDHG-ZDUSSCGKSA-N 323.400 2.804 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(C(C)(F)F)CC3)n[nH]c21 1875298105 OHHXHDUHRCLLGP-BDAKNGLRSA-N 313.348 2.597 0 50 DFAA C=CC(=O)N1CCC(C(=O)NCc2cccc(Cl)c2F)CC1 1875369597 XNMUJZIIAWAOJP-UHFFFAOYSA-N 324.783 2.520 0 50 DFAA Cc1nc2ccccc2cc1OC[C@H]1C[N@@]1Cc1cnn(C)c1 1875378930 LCBNQTIBCJBKQZ-OPAMFIHVSA-N 308.385 2.540 0 50 DFAA C=CC(=O)N(C)c1ccc(C(=O)N2C[C@H](C)c3ccncc32)cc1 1875373737 NGNFDNFENNLVFC-ZDUSSCGKSA-N 321.380 2.994 0 50 DFAA CCc1occc1C(=O)N1CCC[C@]12CCC[S@@](=N)(=O)C2 1875395933 QFDCXRKLUQFTAC-QVKFZJNVSA-N 310.419 2.657 0 50 DFAA O=C(NCc1nc(CO)cs1)[C@@H]1CC[C@@H](c2ccccc2)C1 888099647 HKQPMYVFEYUCKD-ZIAGYGMSSA-N 316.426 2.836 0 50 DFAA NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2 34723 DDQXBBYYRVBRLH-MDZDMXLPSA-N 312.394 2.988 0 50 DFAA COc1ccccc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1 464807 OWXMGEDVCSPURQ-UHFFFAOYSA-N 324.424 2.895 0 50 DFAA COc1ccc([C@H](C(=O)O)[C@H](C(=O)O)c2ccccc2)cc1 4776134 JMDQOIIJRILROU-CABCVRRESA-N 300.310 2.732 0 50 DFAA CCc1cccc(OC2CN(C(=O)Nc3nc(C)ns3)C2)c1 55403622 GOKIIUZONSXPTN-UHFFFAOYSA-N 318.402 2.704 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 25372874 UTFVDMMPDGPELU-CQSZACIVSA-N 324.377 2.956 0 50 DFAA CC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(Cl)cc2O)C1 62869661 GHICBXDDIJVMJB-HNNXBMFYSA-N 311.765 2.763 0 50 DFAA COC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2 20560158 QKWWVWMPMBDFBM-UHFFFAOYSA-N 302.399 2.675 0 50 DFAA O=C(Cc1csc(-n2cccc2)n1)NCc1cccc(F)c1 61720289 JOCMQZKTQKWEKH-UHFFFAOYSA-N 315.373 2.932 0 50 DFAA COC1(c2noc([C@H]3CCCCS3(=O)=O)n2)CCCCC1 351126798 AHWMZTGUKGKJEN-LLVKDONJSA-N 314.407 2.515 0 50 DFAA CC(C)(C)NC(=O)[C@H]1CCCCN1C[C@@H](O)c1cccc(F)c1 229649678 BPANTVGQWHKQLV-HZPDHXFCSA-N 322.424 2.628 0 50 DFAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1(C)C 229726362 JSVSGPLUEKKLHM-RBSFLKMASA-N 300.402 2.568 0 50 DFAA C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1nc2cc(Cl)ccc2[nH]1 252477618 RJMZFXGVCZJGHC-WQURNTSKSA-N 319.792 2.961 0 50 DFAA Cc1cc(N(C)Cc2snnc2C)nc(-c2cccnc2)n1 65459993 CRNPCDGXPHLOCB-UHFFFAOYSA-N 312.402 2.643 0 50 DFAA CCN(CCn1cccn1)Cc1nc(-c2cccs2)no1 12592535 PSAHGGLPCUYZLF-UHFFFAOYSA-N 303.391 2.517 0 50 DFAA CN(Cc1ccccn1)C(=O)[C@@]1(c2ccccc2)CCC(O)=NC1 328592763 WLAABUSNNULYHJ-IBGZPJMESA-N 323.396 2.728 0 50 DFAA CSCc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccc1F 128587157 JTGLMENVWYVKPL-CYBMUJFWSA-N 311.378 2.768 0 50 DFAA Cc1nn(C)c(-c2nnc(S)n2Cc2ccccc2)c1Cl 214068 LMNAYEWTJMHLAW-UHFFFAOYSA-N 319.821 2.977 0 50 DFAA CCc1oc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)cc1C 328638858 WPXWWJHXYKYKMK-ZDUSSCGKSA-N 301.390 2.682 0 50 DFAA O=c1c2c3c(sc2[nH]c(=S)n1C[C@@H]1CCCO1)CCC3 5843754 GBZXPGJDERPRAN-QMMMGPOBSA-N 308.428 2.788 0 50 DFAA CN(Cc1nc(COc2ccccc2)no1)CC1CCOCC1 12028657 ZFYUHGDVLLODMV-UHFFFAOYSA-N 317.389 2.507 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 340196043 OSQJDYVYWHAPDH-CQSZACIVSA-N 317.385 2.945 0 50 DFAA Cc1oncc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 128441414 MTLHJOJEGQSESW-CQSZACIVSA-N 301.394 2.638 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)c3ccc(C(=O)O)o3)C2)cc1 237376042 OPMINQISQZTAOQ-LBPRGKRZSA-N 315.325 2.616 0 50 DFAA CN(Cc1ccc(N(C)C)nc1)Cc1ccc2nsnc2c1 215835288 BBGFNOFYIFGETH-UHFFFAOYSA-N 313.430 2.784 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 263089007 ZWIVYTKWNMULSS-CQSZACIVSA-N 323.389 2.569 0 50 DFAA CCn1ccnc1[C@H](Nc1nccc(C)n1)C1CCOCC1 284631102 SUBFRWRDIDSBMN-CQSZACIVSA-N 301.394 2.581 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1F)[C@H](O)c1ccccc1 242292556 YNFRKOMHYKGRDH-JGGQBBKZSA-N 303.308 2.671 0 50 DFAA Cc1cc(F)ccc1-c1noc(CC2(CS(C)(=O)=O)CC2)n1 242302362 YRVACDYCOXZXJF-UHFFFAOYSA-N 324.377 2.551 0 50 DFAA CC(C)n1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cn1 77287560 ZIEKPNLJIYMIGL-KRWDZBQOSA-N 312.417 2.593 0 50 DFAA CCOC(=O)[C@](C)(OC)C(=O)Nc1cc(Cl)cc(Cl)c1 138610729 ASLSNDASZMGIDE-CYBMUJFWSA-N 320.172 2.900 0 50 DFAA CC1(C)CN(C(=O)c2cnc(O)cc2O)C[C@@H]1c1ccccc1 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CC(C)(c1noc([C@@H]2CCc3cc(F)ccc32)n1)S(C)(=O)=O 2325774330 LMMHJEWKKYCTMZ-GFCCVEGCSA-N 324.377 2.567 0 50 DFAA Cc1nccn1C[C@H](C)CNC(=O)c1cccc2sncc12 2325776094 JNSIQVCSBGGKAM-LLVKDONJSA-N 314.414 2.867 0 50 DFAA CN1C[C@H](c2cccnc2)[C@@H](C(=O)OC2CCC(F)(F)CC2)C1 2325783779 AITHOLVKBTYEQS-CABCVRRESA-N 324.371 2.848 0 50 DFAA N[C@@H]1CCc2cc(C(=O)N3C[C@@H](C(F)F)C4(CC4)C3)ccc2C1 2325808654 RJAXDANJOQLEAA-CABCVRRESA-N 320.383 2.620 0 50 DFAA C[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc2cc(Cl)ccc2n1C 2325870990 XWTKBTIOJDHCOO-MFKMUULPSA-N 305.809 2.512 0 50 DFAA CC(=O)N[C@@H](c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1C 439250 QNVJQRMSYMCIIV-MSOLQXFVSA-N 321.380 2.903 0 50 DFAA COc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 470834 RMUBHHHGGQQOHE-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA c1ccc2oc(CN3CCc4nc(C5CC5)nn4CC3)cc2c1 2356148603 IKASQEZILOLSIO-UHFFFAOYSA-N 308.385 2.960 0 50 DFAA C[C@@H](CCO)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356161153 IPIDWIKWRVGRLL-QMMMGPOBSA-N 310.737 2.876 0 50 DFAA CC(C)(C)c1n[nH]c(CN[C@H]2CCCc3ccc(O)cc32)n1 414165780 CRTYFYUUHLWGEA-AWEZNQCLSA-N 300.406 2.975 0 50 DFAA CC(C)(CCS(C)(=O)=O)Nc1ccc(C(F)(F)F)cn1 225589956 OMIJRIIETGGIJR-UHFFFAOYSA-N 310.341 2.726 0 50 DFAA Cc1ccnc(SCc2cc(=O)n3c(nc4ccccc43)[nH]2)n1 100131481 ZIPSOQDQNWQQIQ-UHFFFAOYSA-N 323.381 2.567 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3csc4c3CCCC4)C[C@H]12 102817319 ZGRQTYUBQXMUKH-ZSOGYDGISA-N 304.459 2.507 0 50 DFAA C[C@@H](Cc1ccsc1)Nc1cc(N2CCC[C@H]2CO)ncn1 248198980 SUJVKKXQVXYXOG-JSGCOSHPSA-N 318.446 2.542 0 50 DFAA CCCSc1ncc(-c2nccn2CCc2c[nH]cn2)cn1 67982701 MSMLGYBPFNARJH-UHFFFAOYSA-N 314.418 2.808 0 50 DFAA Cc1ccc(C)c(CC(=O)N2CC3(CCNCC3)C[C@@H]2C)c1 424226294 RMAAMPZSNRPMHM-INIZCTEOSA-N 300.446 2.837 0 50 DFAA CCCc1cnc(N2CCC3(CCC(=O)N(C)CC3)CC2)nc1 67834201 GCUSZQPHIAARIT-UHFFFAOYSA-N 316.449 2.658 0 50 DFAA O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCC1 67867812 OYBLVRKNPVKCMU-UHFFFAOYSA-N 309.325 2.648 0 50 DFAA Cc1ncc(CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)s1 252518071 ZCVFLOKNLDMSSK-KCQAQPDRSA-N 309.479 2.525 0 50 DFAA CC[C@H](Nc1cc(C2CCNCC2)nc(C)n1)c1ccnn1C 67983079 JOSMJELERLBCLS-AWEZNQCLSA-N 314.437 2.549 0 50 DFAA COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3ccco3)c2)c1 1399064 JEQDLBVKDLQUDK-UHFFFAOYSA-N 324.336 2.777 0 50 DFAA COc1cc(C=O)ccc1OCc1cn(-c2ccccc2)nn1 2505805 MFYBIGCLHSJUDN-UHFFFAOYSA-N 309.325 2.667 0 50 DFAA CCn1nnc(C)c1CN1CCc2[nH]c3ccc(F)cc3c2C1 328597276 GMGRMKLYAUAMRQ-UHFFFAOYSA-N 313.380 2.785 0 50 DFAA c1ccc([C@H]2OCC[C@@H]2CNCc2cnc3cnccn23)cc1 328630867 QIMNHTFPVBGCKS-CRAIPNDOSA-N 308.385 2.597 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1CNc1nc2ccccc2cc1CO 328820682 QVEBZSYZHJNSQA-RHSMWYFYSA-N 300.402 3.200 0 50 DFAA CCCCCC(=O)N[C@H](CC(=O)OC)c1ccc2c(c1)OCO2 5859861 RYVBDZFDPWLJIJ-CYBMUJFWSA-N 321.373 2.716 0 50 DFAA Cc1cc(Cc2noc(-c3cc4c(s3)CCOC4)n2)no1 329549515 BNHMYJAHCFZGHD-UHFFFAOYSA-N 303.343 2.758 0 50 DFAA C[C@H](c1ccccc1)N(C)C(=O)C(=O)N(C)Cc1ccccc1 253410493 CWUNWQWDAPJHFQ-OAHLLOKOSA-N 310.397 2.865 0 50 DFAA O=C(c1cccc2nc[nH]c12)N1CC[C@H](Cc2ccncc2)C1 363679598 WIFOFRJENPZXCZ-CQSZACIVSA-N 306.369 2.663 0 50 DFAA CC(C)Cc1nc(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)no1 72155961 JLQINPLHFXTGRO-JKSUJKDBSA-N 320.481 2.964 0 50 DFAA C[C@@H]1N(Cc2c[nH]nc2-c2cccnc2)CCC12CCOCC2 364938272 HXCFUCSTNMGMPI-AWEZNQCLSA-N 312.417 2.863 0 50 DFAA O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)[C@@H](O)C1CCCCC1 333731921 PTNOKMPRRQAWLC-KSZLIROESA-N 317.429 2.822 0 50 DFAA CC(C)Cc1nnc2sc(-c3cccc4nccnc34)nn12 71575854 JTQWXONNXALUOR-UHFFFAOYSA-N 310.386 2.995 0 50 DFAA O=C(CC[C@@H]1CCNC1)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 261769180 IPMPQKYUOLZJGH-SNVBAGLBSA-N 320.343 2.683 0 50 DFAA COc1ccccc1CC1(O)CCN(C[C@@H]2CCC=CO2)CC1 370666456 HKVIDIXYWUCCOW-KRWDZBQOSA-N 317.429 2.757 0 50 DFAA CC[C@H](C(=O)N1C[C@H]2CC=CC[C@H]2C1)N1Cc2ccccc2C1=O 71767908 SPXGASLFJCOOFW-RVKKMQEKSA-N 324.424 2.846 0 50 DFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@H]3c2nnc(C)o2)o1 371088336 OCXIYZMWLZUDPG-ZDUSSCGKSA-N 315.373 2.998 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3cn(-c4ccccc4)nn3)C2)n1 72150618 LFTJXGHDDZSABE-GOSISDBHSA-N 322.416 2.528 0 50 DFAA O[C@H]1CCN(Cc2ccc(-n3cncn3)cc2)Cc2ccccc21 375237780 BBCLKVMQMGDXFM-IBGZPJMESA-N 320.396 2.707 0 50 DFAA Fc1ccc(N2CN(Cc3cccnc3)CN=C2S)cc1 13636056 PYNLBOOPIUIEDP-UHFFFAOYSA-N 302.378 2.744 0 50 DFAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(F)cc1Cl 263286335 YAMBXSHQYSOPRN-GXSJLCMTSA-N 313.756 2.733 0 50 DFAA c1ccc(-c2noc(CCN3CCC[C@@H](n4ccnc4)C3)n2)cc1 607151792 HJTVTRPKLUHHLY-MRXNPFEDSA-N 323.400 2.813 0 50 DFAA CN(Cc1nc(-c2cccs2)no1)C[C@@H](O)c1ccccc1 20452872 SAYBUBMCVGIAQH-CYBMUJFWSA-N 315.398 2.964 0 50 DFAA CCc1nc(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)co1 1365559839 VUMHFENBEYOSGS-CQSZACIVSA-N 303.337 2.863 0 50 DFAA COCc1ccc(CN2CCc3c(cccc3C(=O)O)C2)o1 382458954 DDCDOGGHWWMPMJ-UHFFFAOYSA-N 301.342 2.683 0 50 DFAA CCN(Cc1cnn(CC)c1)c1cc([C@H]2CCOC2)nc(C)n1 426536206 AGSUCWQBBKFDJM-HNNXBMFYSA-N 315.421 2.532 0 50 DFAA COc1c[nH]c(C(=O)N2CCC[C@H]2c2ccccc2C)cc1=O 97785479 FLMRUPBDJCKOEZ-HNNXBMFYSA-N 312.369 2.669 0 50 DFAA COc1ccc(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1 238399019 KZXRAYHRGMMYMD-LBPRGKRZSA-N 309.362 2.606 0 50 DFAA Fc1cccc(-n2ncnc2-c2ccccc2N2CCOCC2)c1 91664070 HUXKCCLINXTLOW-UHFFFAOYSA-N 324.359 2.910 0 50 DFAA CCc1ccc([C@@H]2c3c(n[nH]c3C)C[C@@](C)(O)[C@H]2C(C)=O)cc1 239274869 AURQONAMLKFZDJ-CEXWTWQISA-N 312.413 2.925 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)NCCCc1csc(N)n1 91914738 SMQZCMKSLOOCGL-UHFFFAOYSA-N 324.475 2.976 0 50 DFAA COc1ccccc1OCCN1CC(N2CCCC[C@@H]2C)C1 244872796 WENOGXFDRFGFKJ-HNNXBMFYSA-N 304.434 2.633 0 50 DFAA Cc1cc(N2CCN(Cc3cncn3CC(C)C)CC2)ccn1 244641263 GMLHEVBCABDVRZ-UHFFFAOYSA-N 313.449 2.565 0 50 DFAA CC(C)(O)c1ccc(CNC(=O)[C@H]2COc3ccccc32)cc1 184688877 NCNRTHTUKJEHAS-INIZCTEOSA-N 311.381 2.706 0 50 DFAA CC[C@@H](NC(=O)c1cc(Cl)ccc1O)c1ncnn1CC 299772196 ZWZWPEVYXYVTGY-LLVKDONJSA-N 308.769 2.538 0 50 DFAA CCN1CCC[C@H](CN(C)C(=O)c2ccc(C)n2C(F)F)C1 299770907 SKKVYTQFCRUWFV-CYBMUJFWSA-N 313.392 2.996 0 50 DFAA COc1nc(C)cc(C)c1CNc1cc([C@@H]2CCOC2)ncn1 299802664 VIZLHOSQCRHWCK-CYBMUJFWSA-N 314.389 2.613 0 50 DFAA CCN(CC)CC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1 299785634 LAIYKKUVZMOLIA-CYBMUJFWSA-N 318.396 2.530 0 50 DFAA COCCN1CC[C@H](C(=O)Nc2ccc3oc(C)cc3c2)C1 952986210 KABZEYURFDYWOC-ZDUSSCGKSA-N 302.374 2.648 0 50 DFAA C[C@@H](c1ccc(F)cc1F)N1CCN(c2ncc(F)cn2)CC1 269517308 UXIQSHUTFUAGLO-NSHDSACASA-N 322.334 2.777 0 50 DFAA O=C(O)Cc1cccc(NC(=O)Cc2noc3ccccc23)c1 169995216 VOJPPRGCQOGCMD-UHFFFAOYSA-N 310.309 2.636 0 50 DFAA COc1cncc(CCC(=O)N2c3ccccc3OC[C@@H]2C)c1 170085475 GQAYHPYLALMXPY-ZDUSSCGKSA-N 312.369 2.837 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCCc2cccc(O)c21 408146004 WXQIXXQUJPRGTJ-NSHDSACASA-N 313.401 2.825 0 50 DFAA Cc1cccc2[nH]c(CCC(=O)N(CC(C)(C)O)C3CC3)nc12 190123942 KTOIXWMPEKRMTI-UHFFFAOYSA-N 315.417 2.566 0 50 DFAA COc1cccc2c1CC[C@@H](NCCc1nc(C(C)C)no1)C2 192445360 UVBDCLKHZQBLCL-CQSZACIVSA-N 315.417 2.891 0 50 DFAA Cc1ncc(C(=O)Nc2cc(C(=O)O)ccc2F)c(C(C)C)n1 192894106 MVWPACHAPFFWQU-UHFFFAOYSA-N 317.320 2.998 0 50 DFAA CCOC(=O)[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(Cl)cc1 192948331 IBDMHUYQIGXKOC-NJZAAPMLSA-N 311.809 2.959 0 50 DFAA CC1(NC(=O)CCSc2ncnc3[nH]cnc23)CCCCC1 585089459 OMEIOEWVPXSSPG-UHFFFAOYSA-N 319.434 2.674 0 50 DFAA CC(C)c1noc(C2(NC(=O)CCC3CC3)CCOCC2)n1 585114025 IKEVJFUMZYZJTH-UHFFFAOYSA-N 307.394 2.505 0 50 DFAA CC(=O)N1CC[C@H](CNC(=O)Nc2cccc3ccccc23)C1 585119177 VHFLCCHIGUVFBF-CQSZACIVSA-N 311.385 2.830 0 50 DFAA Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc(Cl)c1 11690247 CZUJWJNEXZMRQM-UHFFFAOYSA-N 304.781 2.902 0 50 DFAA COc1ccc(CN[C@@H]2COc3c(cccc3OC)C2)c(F)c1 15072009 YBFYVDFFCLGTDT-AWEZNQCLSA-N 317.360 2.936 0 50 DFAA O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@H]1CCCO1 16626609 LMAZDRJVRZBTIM-SECBINFHSA-N 324.229 2.592 0 50 DFAA CC[C@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 18254704 YDQXKUIJRYVUKA-KRWDZBQOSA-N 309.413 2.924 0 50 DFAA COCCn1nc(-c2ccccc2)nc1-c1cc(C2CC2)nn1C 1857668254 JHHSMXNGPWWGRU-UHFFFAOYSA-N 323.400 2.869 0 50 DFAA O=C(c1cccc2c1OCO2)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 407961297 CPKHTLRWZQQKSA-YUELXQCFSA-N 317.385 2.571 0 50 DFAA CC(C)(C)C(=O)Nc1ncccc1I 2546083 WHHVZQZQGUTYJM-UHFFFAOYSA-N 304.131 2.671 0 50 DFAA in-vitro CC(=O)NCC(=O)N(CC=C(C)C)Cc1ccc(Cl)cc1 241132966 JNQDJTWLUVNTEW-UHFFFAOYSA-N 308.809 2.771 0 50 DFAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CCN(C)C(=O)C2)C1 247234594 XGSILRBHLUTENE-INWMFGNUSA-N 318.392 2.604 0 50 DFAA COc1c(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)nn1C 134119590 VWYRZQPDPWOEIX-QWRGUYRKSA-N 305.344 2.948 0 50 DFAA Cc1onc(-c2cccc(Cl)c2)c1C(=O)N1CC(C)(O)C1 684749586 OCIRWSZWSVRWOW-UHFFFAOYSA-N 306.749 2.510 0 50 DFAA CCCOc1cccc(NC(=O)N2CC[C@@H](CN)[C@@H](C)C2)c1 925934369 JHCXWMXZPNOANC-KBPBESRZSA-N 305.422 2.924 0 50 DFAA c1coc(-c2noc([C@@H]3CCc4nnn(C5CCC5)c4C3)n2)c1 952893634 IHLYLABOUNKBEU-SNVBAGLBSA-N 311.345 2.919 0 50 DFAA Cc1cc(N2CC[C@@H](N)[C@@H](C)C2)nc(N(C)c2ccccc2)n1 1875282290 WIJRPZFCVKXCAB-XJKSGUPXSA-N 311.433 2.726 0 50 DFAA CSCc1cn(C2CN(C(=O)[C@@H]3C[C@@H](C)C[C@@H](C)C3)C2)nn1 1875323773 STDXFJYJQXEDIG-ITGUQSILSA-N 322.478 2.597 0 50 DFAA FC(F)(F)[C@H]1CC[C@H](CCNC2CC(n3ccnc3)C2)O1 1875405749 NSYLOCWNLIXIPE-FIYWTHMPSA-N 303.328 2.676 0 50 DFAA CCc1ccc2nc(NC(=O)c3cn(C)nc3OC)sc2c1 891849336 GAPKGJJHHBHGER-UHFFFAOYSA-N 316.386 2.853 0 50 DFAA O=C(NCCn1c2ccccc2c2ccccc21)N1CC[C@@H]1CO 894146653 XEKNLDYHNDBZHB-CQSZACIVSA-N 323.396 2.571 0 50 DFAA Cc1ncc(CN[C@@H]2CCN(C)[C@@H](C)C2)c2c1OC(C)(C)OC2 1775993563 FYTUHUXKYPFWOE-SWLSCSKDSA-N 319.449 2.607 0 50 DFAA CCc1cccc2c1OCC[C@H]2NC(=O)c1cnc2[nH]cncc1-2 1775984874 DEHWSASRZOXNLT-OAHLLOKOSA-N 322.368 2.726 0 50 DFAA CC1CCC(CC(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 1775961035 OKQHYAJTXOAITH-URZJAHPPSA-N 323.433 2.731 0 50 DFAA c1ccc(Cn2ncc3c(NCc4ccccn4)ncnc32)cc1 6719128 RCILSFNJQRPJGR-UHFFFAOYSA-N 316.368 2.882 0 50 DFAA CN(C)C(=O)C[C@@H]1CN(C(=O)C23CC2C3)c2ccc(Cl)cc21 2325897930 MYUGNUZCNVYFFW-LJRHVDQYSA-N 318.804 2.659 0 50 DFAA O=C(O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C(=O)O 35802 WERNQSNSNVDBBJ-UHFFFAOYSA-N 308.293 2.936 0 50 DFAA in-vitro O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(F)cc2)N1 187305 KUJITIQQDMJFKR-JKSUJKDBSA-N 310.328 2.995 0 50 DFAA biogenic O=C(NCc1cccc(CNC(=O)c2ccco2)c1)c1ccco1 299515 OSHVKTUXCUDDMV-UHFFFAOYSA-N 324.336 2.733 0 50 DFAA COC(=O)Cc1ccc(NC(=S)N2CCCC[C@H]2C)cc1 613396 QTQDFLDLDOQCBZ-GFCCVEGCSA-N 306.431 2.973 0 50 DFAA CCc1ccc(OCC(=O)NCCc2ccc(OC)cc2)cc1 858692 SOTQGMPWVYIOIN-UHFFFAOYSA-N 313.397 2.995 0 50 DFAA O=C1C[C@H](NC(=O)c2ccc3ccccn23)c2ccccc2N1 2356134782 CDSWJOCJGBYMFZ-HNNXBMFYSA-N 305.337 2.753 0 50 DFAA CC(C)(CN1CCOCC1)CN1CCCc2ccccc2C1 2356149797 BKKMBGULFNIUEN-UHFFFAOYSA-N 302.462 2.793 0 50 DFAA Cc1ccc(NC(=O)CSc2ncc(F)c(N)n2)cc1C 9295647 SNMYKQWFAMYCIS-UHFFFAOYSA-N 306.366 2.546 0 50 DFAA Cn1cnnc1-c1ccc(NC(=O)[C@H]2COc3ccccc32)cc1 113025937 HKEIDWCHIIFPSP-HNNXBMFYSA-N 320.352 2.597 0 50 DFAA Cc1cc(N2CCOCC2)n2ncc(-c3ccc(F)cc3)c2n1 21798934 KIWMNLBCGSZBMK-UHFFFAOYSA-N 312.348 2.680 0 50 DFAA Cc1ccccc1N1CCN(Cc2ccc(CO)o2)[C@@H](C)C1 106271850 GVXQZOZYJDGCAB-HNNXBMFYSA-N 300.402 2.791 0 50 DFAA Cc1nc(-c2ccccc2)sc1CN1C[C@H](C(=O)O)CC1=O 65453040 WWEKKFSJEDCVMD-GFCCVEGCSA-N 316.382 2.552 0 50 DFAA CC(C)Cc1nc(CCN2CCCO2)n(-c2ccc(F)cc2)n1 65385175 PTYVYDMUWIYXNL-UHFFFAOYSA-N 318.396 2.785 0 50 DFAA O=C(O)c1cccnc1CN(Cc1ccncc1)Cc1ccco1 65395085 PJZPHZDJFQYFNP-UHFFFAOYSA-N 323.352 2.970 0 50 DFAA Cc1ccc(NC(=O)c2csc(-c3cnn(C)c3)n2)c(C)n1 119056232 DEKNZGICSUKNCJ-UHFFFAOYSA-N 313.386 2.808 0 50 DFAA CN(Cc1cnn(C)c1)Cc1c(C(=O)O)sc2ccccc12 314744858 CSVQQEMXLNKIHZ-UHFFFAOYSA-N 315.398 2.965 0 50 DFAA O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1c1ccc(Cl)nc1 252584448 AMYYKACQXRPNFS-WCQGTBRESA-N 305.765 2.835 0 50 DFAA Cc1c(Br)c(C(=O)N2CCc3ccccc32)nn1C 375548 XLZNIZTWUFBIBN-UHFFFAOYSA-N 320.190 2.694 0 50 DFAA Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c2c(C)n[nH]c2n1 329540747 DCGBSCQEKCXIIC-HNNXBMFYSA-N 310.401 2.979 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H](n3ccnn3)C2)c(F)c1Cl 332297665 KIIBRPVFLWMGBE-LLVKDONJSA-N 322.771 2.856 0 50 DFAA c1ccc2c(c1)CCN2CC1CCN(Cc2cncnc2)CC1 131474996 IJWBNSKICBQIEM-UHFFFAOYSA-N 308.429 2.751 0 50 DFAA COCc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 237264917 SQOHCXXWOWCERX-KBMXLJTQSA-N 317.385 2.691 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1CC(=O)O)N1CCCCCC1 237470246 LRDKWLQPUFTKOD-ZDUSSCGKSA-N 304.390 2.517 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)O)on2)cc1 237701634 DQNKDGLSAHASNY-CQSZACIVSA-N 314.341 2.729 0 50 DFAA c1ccc(Cn2cc(CN3CCC(n4ccnc4)CC3)cn2)cc1 132811318 JMBKDJZKWPRXJQ-UHFFFAOYSA-N 321.428 2.965 0 50 DFAA Cc1ncc(C(=O)NCc2ccc(C(=O)O)s2)c(C(C)C)n1 263275008 WNKQDHKTOCBITP-UHFFFAOYSA-N 319.386 2.598 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCOC2)cc1 245305034 HRWDHORXOMUAKJ-ULQDDVLXSA-N 303.402 2.758 0 50 DFAA CC(C)c1nc(-c2ccc(C(=O)NCC3(C)COC3)cc2)no1 426689219 LNFRJXCJBHTRLH-UHFFFAOYSA-N 315.373 2.626 0 50 DFAA CCOc1ccc([C@@H](O)C2CCN(c3cnccn3)CC2)cc1 292193913 BZFSNKMFPIERTB-GOSISDBHSA-N 313.401 2.825 0 50 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324.371 2.773 0 50 DFAA Cc1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccnc3)c2)cc1 1399062 AKUSAGKQOOTFQC-UHFFFAOYSA-N 319.364 2.879 0 50 DFAA O=C(NCCc1ccc2c(c1)CCO2)c1cccc(F)c1F 172145948 SVXOTXONTGQROW-UHFFFAOYSA-N 303.308 2.872 0 50 DFAA CC(C)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 72149942 PXLOCWPNAKHSER-UHFFFAOYSA-N 324.428 2.750 0 50 DFAA CCc1nnsc1C(=O)N1CCC[C@@H]1c1c(C)noc1C 71753771 XIFMAOYALPBSSA-LLVKDONJSA-N 306.391 2.683 0 50 DFAA COCc1noc(CN2CCCc3c(F)c(F)cc(F)c32)n1 331925314 DDMLBXXLGRVPET-UHFFFAOYSA-N 313.279 2.586 0 50 DFAA CCOc1cc(Cl)ccc1NC(=O)CN1CCCCC1=O 155039065 HBEXBKSJUFGIGQ-UHFFFAOYSA-N 310.781 2.690 0 50 DFAA COc1cccc([C@H]2C[C@H](N(C)C(=O)COCC3CC3)C2)c1 456922984 MUNGETBWZOJAQI-WKILWMFISA-N 303.402 2.826 0 50 DFAA O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(CO)cc1 216470738 KUIKZDZHXRCALV-SFHVURJKSA-N 321.380 2.547 0 50 DFAA C[C@@H](c1nnnn1C)N1CCC(c2cccc3cnccc23)CC1 366865118 APIAWZLWEAEJII-ZDUSSCGKSA-N 322.416 2.699 0 50 DFAA Cn1ccnc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72409413 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DFAA O=C(NC[C@H](O)c1cccc(O)c1)c1cnoc1-c1ccccc1 426535467 LLXDEHIAQNADNA-INIZCTEOSA-N 324.336 2.511 0 50 DFAA CC(C)n1cc(CN(C)C(=O)CC[C@@H](C)N2CCCC2)cn1 426722401 HZBZFTZNXDFCBZ-OAHLLOKOSA-N 306.454 2.687 0 50 DFAA O=C(O)CCCC(=O)NCCc1cccc(C(F)(F)F)c1 426683979 VTZQKQUYKUJJFB-UHFFFAOYSA-N 303.280 2.619 0 50 DFAA O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)N1CCCO1 292284933 RGIHJLHCMVLDPF-UONOGXRCSA-N 312.316 2.612 0 50 DFAA CNc1ncc(CN(C)C(=O)c2sc(C(C)C)nc2C)cn1 91616516 CDNLQWAKHMMYQE-UHFFFAOYSA-N 319.434 2.679 0 50 DFAA C[C@@H](NC(=O)CN1CCCCCCC1=O)c1cccc(F)c1F 179431264 CGRJQKZMNUEGEJ-GFCCVEGCSA-N 324.371 2.935 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc(O)c(F)c1 96131080 WKQNMFWPCDNPSR-SECBINFHSA-N 305.353 2.681 0 50 DFAA CC[C@H](CN(C)C)NC(=O)c1cc(C)nc2cc(OC)ccc12 426739834 SHLRHAIHDKTZBN-CYBMUJFWSA-N 315.417 2.622 0 50 DFAA COc1cc(CN2CCCO[C@@H](CN3CCCC3)C2)ccc1F 97334335 JOOVDUXZAJUDBE-INIZCTEOSA-N 322.424 2.521 0 50 DFAA C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C(N)=O 294198851 NTAVBPZTTLRANR-BNOWGMLFSA-N 324.371 2.586 0 50 DFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CC12CCCCC2 180430856 XFRKOCAHLZGOPU-HUUCEWRRSA-N 314.433 2.682 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2cnc(-c3ccccn3)nc2)C1 244894044 YYVYHNONXVLVQY-HNNXBMFYSA-N 323.444 2.597 0 50 DFAA O=C(CN1C[C@@H]2CC[C@H]1C2)NC1(c2ccc(Cl)cc2)CC1 299787481 OEHIQEFINMPEJE-DOMZBBRYSA-N 304.821 2.930 0 50 DFAA CCOCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCCCC1 299792204 FDVQRJZKZQKNQO-INIZCTEOSA-N 308.397 2.505 0 50 DFAA Cc1cccc(-c2nn3c([C@@H]4CCCN(C)C4)nnc3s2)c1 823771456 LVFJTXOZBSVKQC-CYBMUJFWSA-N 313.430 2.970 0 50 DFAA CCCO[C@H](C)CNC(=O)N1CCC(Cc2cccnc2)CC1 584896533 KXWMSVKBZLEWMI-OAHLLOKOSA-N 319.449 2.861 0 50 DFAA Cc1nc2cc(CNC(=O)[C@@H]3CCOC(C)(C)C3)ccc2n1C 670448636 TXESDLWFIFTIHN-CQSZACIVSA-N 315.417 2.703 0 50 DFAA CCC[C@@](C)(O)CNc1nc(-c2cccnc2)nc2c1CCC2 269034602 KCBNHGPYKCXPKK-GOSISDBHSA-N 312.417 2.990 0 50 DFAA C[C@H](C(=O)Nc1ccccc1)N1CCC(O)(c2ccccc2)CC1 185496425 NHWDMMFQYFCUJH-MRXNPFEDSA-N 324.424 2.997 0 50 DFAA O=C(c1cncc(F)c1)N1CCC([C@H](O)c2cccs2)CC1 1506406130 ZKKQKOPFZHOSPB-HNNXBMFYSA-N 320.389 2.868 0 50 DFAA CC[C@H](NCc1ccc(Br)o1)c1noc(C)n1 170089072 DFVHHJLFOIIGNM-VIFPVBQESA-N 300.156 2.974 0 50 DFAA Oc1nc(NCc2ccccn2)nc2c1cnn2-c1ccccc1 301352742 NKRYMMHZWAAGLC-UHFFFAOYSA-N 318.340 2.528 0 50 DFAA CC1CCC(=CC(=O)NCCn2c(S)nnc2C(C)C)CC1 170647820 YUEGDTBUUBHMTP-UHFFFAOYSA-N 322.478 2.943 0 50 DFAA COc1ccc(F)c(C(=O)N(C)Cc2nccs2)c1OC 170606406 GTSSDVPFVIWJOL-UHFFFAOYSA-N 310.350 2.572 0 50 DFAA CC1CCC(NC(=O)[C@H](C)N2CCc3ccc(O)cc3C2)CC1 408205394 XUKLPVKCICJMDA-UUCFBXCCSA-N 316.445 2.834 0 50 DFAA Cc1cc(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)co1 189375055 BNNDRHMDTCBRTP-UHFFFAOYSA-N 318.417 2.843 0 50 DFAA O=C(O)C[C@@H](NC(=O)c1cc(C2CC2)no1)c1cccs1 649353476 ZBUVNIBVVRSJPW-SNVBAGLBSA-N 306.343 2.559 0 50 DFAA COCc1nocc1C(=O)N1CCc2cc(F)ccc2[C@H]1C 585085528 XUYMVESDBSVZLH-SNVBAGLBSA-N 304.321 2.720 0 50 DFAA CN(C)C1(C)CCC(NCCn2c(O)nc3ccccc32)CC1 1615057101 PKIVNHDYVINWJU-UHFFFAOYSA-N 316.449 2.594 0 50 DFAA Cc1ccc(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)c(F)c1F 1616082151 JENHFISMYSQSRH-HOCLYGCPSA-N 318.367 2.704 0 50 DFAA O=C(Cc1cccnc1)N1CCC([C@@H](O)c2cccs2)CC1 1506406667 NSKOKVLJFSDCBN-QGZVFWFLSA-N 316.426 2.658 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](n2cc(Br)cn2)C1 116147314 JCPSQLNKHVGZJG-SNVBAGLBSA-N 316.199 2.828 0 50 DFAA in-vitro Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)Nc1ccccn1 5818604 QXAAJDFJCDFNHY-UHFFFAOYSA-N 321.340 2.618 0 50 DFAA C[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCCC1 13667532 PDBXXLAXNIWRFT-HNNXBMFYSA-N 322.424 2.975 0 50 DFAA COc1cccc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)c1 13690482 FSXXPBUSGLIGOB-UHFFFAOYSA-N 323.352 2.545 0 50 DFAA CN(CCCOc1ccc(Cl)cc1)C[C@H]1CCC(=O)N(C)C1 1857685528 LVPKJGXVZSCHIA-CQSZACIVSA-N 324.852 2.909 0 50 DFAA COc1ccc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c(C(=O)O)c1 1875247387 URKPKOLWGYJDSJ-ZDUSSCGKSA-N 311.337 2.664 0 50 DFAA O=C(N[C@@H]1CCCCC[C@H]1CO)c1c[nH]nc1-c1ccsc1 225442183 LNTOSYHVXPUGRN-SMDDNHRTSA-N 319.430 2.809 0 50 DFAA Cc1ccc([C@H]2COCCN2C(=O)Nc2ccncc2C)o1 120506556 POCMMLSYYVAYJS-CQSZACIVSA-N 301.346 2.897 0 50 DFAA Cn1ccc(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)n1 122911649 ONGGLZZDKKGYDT-UHFFFAOYSA-N 303.381 2.929 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@H]1N 237148384 OGAXALANOUSIQJ-DGCLKSJQSA-N 300.324 2.791 0 50 DFAA CCOC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C 12082646 XBOGULHTLRROCI-SNVBAGLBSA-N 321.402 2.767 0 50 DFAA NC(=O)[C@H]1CCCC[C@@H]1NCc1ncc(-c2ccccc2F)o1 130791860 JTAUCPRWJMOPKM-JSGCOSHPSA-N 317.364 2.614 0 50 DFAA COC[C@H](C)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 252492969 MYMBYBAPBBPPDO-HILJTLORSA-N 317.429 2.769 0 50 DFAA CC[C@H](O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 156968864 YCNHFDAWPSOBMJ-QMMMGPOBSA-N 302.248 2.962 0 50 DFAA COc1cccc2c1CC[C@H]2NC(=O)N[C@H](CCO)C(C)(C)C 164334819 QREVSTVPCXHZLV-GDBMZVCRSA-N 320.433 2.779 0 50 DFAA O[C@@H](CN[C@H]1CCCOc2cc(F)ccc21)c1ccc(F)cn1 819211125 STXWJRKTPCGFEP-HOCLYGCPSA-N 320.339 2.897 0 50 DFAA Nc1ncccc1CN1CCC[C@H](c2nc3c(s2)CCC3)C1 932191683 WGBVBRWHFNMPAC-ZDUSSCGKSA-N 314.458 2.989 0 50 DFAA COC1CCC(N(C)C(=O)c2ccc(OC(F)F)nc2)CC1 932923567 YTTRSNDWYDUMMN-UHFFFAOYSA-N 314.332 2.713 0 50 DFAA CCn1nccc1CCn1ccnc1[C@@H](O)C1CCCCC1 849946640 AXVBTGAQILMJIO-INIZCTEOSA-N 302.422 2.956 0 50 DFAA CCCNC(=O)c1cccc(CN[C@@H](C)c2cc(OC)no2)c1 863983434 HVTHIXPJHICWEG-LBPRGKRZSA-N 317.389 2.674 0 50 DFAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)C1(C)C 1159128744 WNJRWRBCXPHNPU-IIAWOOMASA-N 316.449 2.760 0 50 DFAA Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4C[C@@H](O)C4)n3)c2)n1 874435063 KNWORBWECVIDQN-IYBDPMFKSA-N 324.384 2.837 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCC4(CC3)CC4)n[nH]c21 1875295704 OJOAUZPEDHGPEE-NEPJUHHUSA-N 303.406 2.838 0 50 DFAA Cc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccco2)c2nc(C)n(C)c2n1 1875404830 XHZRHZYBPROYSW-QWHCGFSZSA-N 324.384 2.712 0 50 DFAA COC(=O)c1cc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)ccn1 888098074 CPIUNKHKAIGTMY-GXTWGEPZSA-N 318.417 2.947 0 50 DFAA Cc1[nH]nc2ncc(CNCCc3ccc4c(c3)C[C@@H](C)O4)cc12 2325764728 MSVJKZIUIBRRQV-GFCCVEGCSA-N 322.412 2.922 0 50 DFAA O=C(c1cnc2c(F)ccc(F)c2c1)N1CC[C@@H]2COCC[C@H]21 2325764903 WNPPDMMOJUPTAH-MEBBXXQBSA-N 318.323 2.764 0 50 DFAA COC(=O)c1cccc2c(CN[C@H](C)c3cnn(C)c3)c[nH]c12 2325808356 STLQHEGTFZAVNJ-LLVKDONJSA-N 312.373 2.539 0 50 DFAA C[C@@H](Cc1ccc2c(c1)CCCC2)N[C@H]1C(=O)NCC1(C)C 1462446318 NMXCVLXWKFRVFB-GUYCJALGSA-N 300.446 2.611 0 50 DFAA COC(=O)c1ccc(CN2CCC[C@@]3(CCC[C@H]3O)C2)cc1 2356146148 UNMBBORPNZXJNP-AEFFLSMTSA-N 303.402 2.600 0 50 DFAA O=C(c1cccc(OC(F)F)c1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356152430 IPSTUEDXLWEKNJ-ITGUQSILSA-N 311.328 2.806 0 50 DFAA O=C1NCCC[C@@]12CCCN2Cc1ccccc1C(F)(F)F 2356155491 FSJUVXAWSSFHSM-OAHLLOKOSA-N 312.335 2.950 0 50 DFAA C[C@H]1C(=O)N(CCc2ccccc2)Cc2nnc(C(C)(C)C)n21 2356159269 SZQHDYABIVAPIP-ZDUSSCGKSA-N 312.417 2.722 0 50 DFAA COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O 4098322 FTODBIPDTXRIGS-ZDUSSCGKSA-N 302.282 2.519 0 50 DFAA biogenic,in-vivo COc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCC1 4667107 WVYATEWEOOPOOM-UHFFFAOYSA-N 303.811 2.878 0 50 DFAA CCNCCOc1ccc(I)c(C)c1 6702807 NJTUNQBEEVAXRJ-UHFFFAOYSA-N 305.159 2.588 0 50 DFAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CC(CO)(c2ccccc2)C1 412785321 JMQMEGITYFFVER-MSOLQXFVSA-N 307.393 2.563 0 50 DFAA CC(C)CN1CCN(Cc2ccc(Cl)cc2)C[C@H]1CCO 104523298 OLJFPEHPKWBXHZ-QGZVFWFLSA-N 310.869 2.865 0 50 DFAA CCCO[C@H]1CCCN(Cc2ccc(OC)c(C(=O)O)c2)C1 216094234 VGSFHTNSOHOTEK-AWEZNQCLSA-N 307.390 2.784 0 50 DFAA CCn1ccnc1CNc1ncc2c(n1)CCN2c1ccccc1 65460707 FYJBTNYGAQTRRU-UHFFFAOYSA-N 320.400 2.999 0 50 DFAA COc1cc(CCC(=O)N2CC[C@@]3(CCCNC3)C2)ccc1C 67818752 MRPSPXIDZFNOTI-LJQANCHMSA-N 316.445 2.538 0 50 DFAA Cc1nc2c(c(NC[C@@H]3CCCCN3C3CC3)n1)CCCC2 433813458 ZBEASRMEUAPVNJ-HNNXBMFYSA-N 300.450 3.093 0 50 DFAA C[C@@H]1CCCN1CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 252486558 LLDLQGCRQHEZQT-OSAQELSMSA-N 308.372 2.669 0 50 DFAA COC(=O)c1cc2c(=O)n(CCc3ccccc3)ccc2nc1C 38784173 CLYDPARWJZPBCM-UHFFFAOYSA-N 322.364 2.734 0 50 DFAA O[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ncc(C3CC3)o2)C1 253395030 CFQHALFYBRXUQO-HUUCEWRRSA-N 302.349 2.999 0 50 DFAA C[C@@H]1CN(C(=O)CCCN2CCc3ccccc32)CC(C)(C)O1 253404644 CQRGGMMEBOGOBD-OAHLLOKOSA-N 316.445 2.855 0 50 DFAA FC(F)(F)c1cn2c(n1)CC[C@H](CN[C@H]1CCCSC1)C2 328633195 LWJLNYFOAAYGKI-MNOVXSKESA-N 319.396 2.950 0 50 DFAA Cn1ncc2c(NCCc3cccnc3)nc(C(C)(C)C)nc21 72156388 VNVSSFOMCNXYPF-UHFFFAOYSA-N 310.405 2.710 0 50 DFAA Cc1ccc(C(=O)N2CCC(Cn3ccnn3)CC2)cc1Cl 154531360 YMVFUPLYRLKYHF-UHFFFAOYSA-N 318.808 2.792 0 50 DFAA C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(CO)c2)C1 368283233 WVAYHHJBAHPYBO-CQSZACIVSA-N 310.397 2.912 0 50 DFAA Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)ccc2o1 332942195 TZJVZGFUNCDIHR-GZBFAFLISA-N 300.358 2.824 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CC[C@@H](N)C1 237170854 XEWBKCSLJDALSE-CMPLNLGQSA-N 316.323 2.671 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)/C=C/c2ccc3ccccc3n2)C1 237442037 QTYUMEJTKFCXTD-BJCHZKIZSA-N 309.413 2.834 0 50 DFAA CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 373910389 NLNWELOHZPUQPN-GVDBMIGSSA-N 306.450 2.766 0 50 DFAA C[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)S(=O)(=O)C1 333911748 LPSFYLCYFSYRAP-LLVKDONJSA-N 314.476 2.972 0 50 DFAA O[C@@]1(CNCc2csc3ccc(Cl)cc23)CCCNC1 72424610 ULBFBWTWQICVRD-HNNXBMFYSA-N 310.850 2.759 0 50 DFAA Cn1cnc(-c2ccc(NC(=O)c3ccc(F)cc3O)cc2)n1 131864906 BGDHOPXOMYEYIL-UHFFFAOYSA-N 312.304 2.579 0 50 DFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@H]1C[C@@H]1C1CC1 238148782 LFVLZVIEHGRPEH-OLZOCXBDSA-N 323.339 2.814 0 50 DFAA Cc1ccncc1CNC(=O)N1Cc2ccccc2O[C@@H](C)C1 455448142 WNRCVKQAXFXCTR-AWEZNQCLSA-N 311.385 2.883 0 50 DFAA CC1(C)CN(Cc2ccc(OCc3ccncc3)cc2)CCN1 263255627 QMORGIMLZASEQE-UHFFFAOYSA-N 311.429 2.844 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)NCc2noc(C(C)C)n2)on1 426513682 OTTDEHYNKUORAH-NSHDSACASA-N 319.365 2.536 0 50 DFAA COc1ccc(C)nc1NS(=O)(=O)c1ccc2c(c1)CCC2 178199430 DXNWVSMMVPJORA-UHFFFAOYSA-N 318.398 2.688 0 50 DFAA CCOC(=O)C1CCN(c2cncc(Br)c2)CC1 95496163 CEZIJGBDNLFOLM-UHFFFAOYSA-N 313.195 2.624 0 50 DFAA CC(C)(C)c1ccc(C(=O)NCCCN2CCC(O)CC2)cc1 265461206 NAWCQGHZYUUYDV-UHFFFAOYSA-N 318.461 2.561 0 50 DFAA Cc1ccc(-c2noc(-c3ccc([C@@H]4CCCN4)s3)n2)nn1 95510707 DIPJCQORWJFJFP-JTQLQIEISA-N 313.386 2.988 0 50 DFAA Cc1nc(CCCNC(=O)[C@H]2CCCN(C(C)C)C2)sc1C 95508028 ZDKDFIRDUOVSHM-HNNXBMFYSA-N 323.506 2.929 0 50 DFAA COc1ccc([C@H]2CN(C(=O)CC3CCC3)C[C@@H]2N(C)C)cc1 91780045 NYZJIPJPRBFPQD-MSOLQXFVSA-N 316.445 2.741 0 50 DFAA CCn1nc(C)c(C(=O)NC[C@H]2COc3ccccc3C2)c1C 92098185 IEIQXPOKRIPLKE-AWEZNQCLSA-N 313.401 2.501 0 50 DFAA COCc1noc(CN2CCC[C@](C)(c3ccccc3)C2)n1 91907588 REFRADONTSUAIL-KRWDZBQOSA-N 301.390 2.770 0 50 DFAA O=S(=O)(N[C@H]1CCCOc2c(Cl)cccc21)C1CC1 180838050 ASFDWUALWXTEII-LBPRGKRZSA-N 301.795 2.636 0 50 DFAA O=C(Nc1ccc(Cl)cc1C(F)(F)F)N[C@@H]1CCNC1 97243695 NDOJYSHBPFSEEB-MRVPVSSYSA-N 307.703 2.842 0 50 DFAA CC(C)C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ncnn1C 95371622 WVKVQJABGWQPID-SECBINFHSA-N 314.315 2.823 0 50 DFAA Cc1cc(C)c2nc(CN[C@H]3CC[C@H](O)CC3)cc(O)c2c1 244723634 MESMMIQLXZAYSO-CTYIDZIISA-N 300.402 2.950 0 50 DFAA O=C(O)C[C@H](NC(=O)[C@@H]1COc2ccccc21)c1cccs1 299752576 UQDFLBMWPSXWAN-NEPJUHHUSA-N 317.366 2.556 0 50 DFAA O=C(O)[C@@H]1CCCCN1C1CCN(c2ccccc2F)CC1 534659581 ICLPQPZOOQSFKI-INIZCTEOSA-N 306.381 2.734 0 50 DFAA Cn1c(CN2CCC[C@]2(C)C(=O)OC(C)(C)C)cnc1Cl 585135898 HOXUCJQEVOQWNH-OAHLLOKOSA-N 313.829 2.770 0 50 DFAA COCCN1CC[C@@H](CNC(=O)c2csc3ccccc23)C1 670440562 HHPXEUKBJUIPIJ-ZDUSSCGKSA-N 318.442 2.599 0 50 DFAA CC(C)(O)C(C)(C)OB(O)c1ccc(-c2cccs2)s1 169980344 QHYXVCKUATYFDR-UHFFFAOYSA-N 310.249 2.730 0 50 DFAA C[C@H](CN1CCCCC1)C(=O)Nc1cccc(-n2cccn2)c1 952861574 IEJWWHJPRFCXEO-OAHLLOKOSA-N 312.417 2.933 0 50 DFAA C/C(=C\C(=O)NC[C@@H](C)CN1CCCC1=O)c1cccc(F)c1 221752615 XFKKFNFOJWMTCH-OZYJXZHSSA-N 318.392 2.604 0 50 DFAA COC[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1 629897094 ZHYJHEZCRCZDGJ-UXLLHSPISA-N 323.820 2.707 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@H]2CCO[C@H](c3ccccc3)O2)CCO1 390832765 FNSMEFFMUDUBSS-INMHGKMJSA-N 319.401 2.565 0 50 DFAA CCCCn1nc(C(=O)Nc2c(C)cccc2OC)ccc1=O 170614896 OIUBZLXNAMXPOT-UHFFFAOYSA-N 315.373 2.613 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CC[C@@H](OC)C(C)(C)C2)c1 634692449 BJSYHBITHZYTOK-HUUCEWRRSA-N 307.390 2.568 0 50 DFAA C[C@H]1c2cccn2CCN1C(=O)NC[C@@H](C)c1nccs1 187042727 SENSSVWZHIXPIY-NEPJUHHUSA-N 304.419 2.835 0 50 DFAA C[C@@H]1CN(C(=O)c2ccccc2-c2cn[nH]c2)C[C@@H](C2CC2)O1 635874229 DJDJKXYTPQTANU-PXAZEXFGSA-N 311.385 2.716 0 50 DFAA CCc1cnc(CNC(=O)N[C@@H](C)c2ccncc2OC)s1 189929052 OLKHFRHMWOHEBI-JTQLQIEISA-N 320.418 2.670 0 50 DFAA COc1ccc(C(C)(C)CN[C@@H](C)c2nnnn2C2CC2)cc1 190541738 YWDPLZIVWYUKDS-LBPRGKRZSA-N 315.421 2.645 0 50 DFAA COc1ncc(C)cc1NC(=O)Nc1cc([C@@H]2C[C@@H]2C)n[nH]1 192275339 JMMWKNBQHGWDSY-VHSXEESVSA-N 301.350 2.889 0 50 DFAA Cn1nccc1[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(F)cc2)C1 584285274 JMALADUSFFBTKT-OIISXLGYSA-N 317.408 2.909 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CN[C@@H]1C=C[C@H](CO)C1)CC1CCC1 585086272 CCUWWWDZEKACTQ-XHSDSOJGSA-N 324.465 2.597 0 50 DFAA CCC(CC)(CNC(=O)[C@@H]1C[C@@H]2C[C@@H](N)[C@@H]2C1)C(F)(F)F 1615548925 UMRLNPRMJCLOIX-DDHJBXDOSA-N 306.372 2.845 0 50 DFAA C[C@H](NC(=O)NCc1nccs1)c1cc(F)ccc1N(C)C 1615615780 SNOLOYFOUPSAKK-JTQLQIEISA-N 322.409 2.909 0 50 DFAA Clc1cncc(CN2CCCC[C@@H]2CCn2ccnn2)c1 1616034731 MPHNUWORNNLZBF-OAHLLOKOSA-N 305.813 2.771 0 50 DFAA Fc1ccc(-c2nc(-c3nc([C@H]4CCCOC4)no3)no2)cc1 1616031391 VULUYOOYPNVKAI-JTQLQIEISA-N 316.292 2.820 0 50 DFAA O=C(CCc1ccccc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 1800410807 AZZWKGCBCQJVLX-IBGZPJMESA-N 309.413 2.849 0 50 DFAA Cc1ccc(Cl)cc1C(=O)N(CCN(C)C)Cc1cnc[nH]1 1704305054 UGXMDGLONIUJFZ-UHFFFAOYSA-N 320.824 2.576 0 50 DFAA O=C(Nc1c(Cl)cccc1Cl)N1C[C@H]2C[C@@H](O)[C@H]2C1 1772811999 DXLIDUCDBVRFOD-VHSKPIJISA-N 301.173 2.838 0 50 DFAA O=C(Cc1cccs1)N1CCC(c2ccnc(O)c2)CC1 1772807599 PLPQLRHAQSMEOV-UHFFFAOYSA-N 302.399 2.797 0 50 DFAA O=C(CNC(=O)C1CCCCC1)Nc1ccc(F)c(F)c1F 18049540 XVFYTXCFXHUXJJ-UHFFFAOYSA-N 314.307 2.739 0 50 DFAA C[Sn](C)(c1ccccc1)c1ccccc1 169747115 INCQQSKGFIBXAY-UHFFFAOYSA-N 302.993 2.509 0 50 DFAA CC(C)c1noc(CC2CCN(C(=O)c3ccoc3)CC2)n1 169792139 UBUFCQOPKXJBNQ-UHFFFAOYSA-N 303.362 2.881 0 50 DFAA CNC(=O)CC(=O)N1CCCCC[C@H]1C=Cc1ccccc1 1857532531 RMGCRKHTCAHJES-INIZCTEOSA-N 300.402 2.607 0 50 DFAA COCc1cc(-c2nccn2-c2cnn(C)c2C)ccc1OC 1857693551 BGRXRQRSMONPNS-UHFFFAOYSA-N 312.373 2.736 0 50 DFAA CCc1nccc(-c2nccn2CCCNc2cccnc2)n1 1857717371 MWWGZIVUSVKYJM-UHFFFAOYSA-N 308.389 2.800 0 50 DFAA O=C(O)CCc1ccccc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875245248 RFLJXLHYMQHBPL-INIZCTEOSA-N 309.365 2.974 0 50 DFAA COC(=O)[C@H]1CCc2nnc(-c3ccc(Cl)cc3)n2CC1 601045364 WMGVTUBCRXMFDA-NSHDSACASA-N 305.765 2.724 0 50 DFAA O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2553268 CAUYNLJULWBUTC-AWEZNQCLSA-N 302.280 2.709 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[C@@H](N)C1 237148452 ZBNUEVXGENDSNK-ZYHUDNBSSA-N 300.324 2.791 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2F)o1 237267072 LXTPXQOFLJSPDQ-GFCCVEGCSA-N 302.349 2.910 0 50 DFAA Cc1ccc(OCCCC(=O)N2CC[C@@H](N)C[C@@H]2C)cc1C 237586614 ZFRAMJCEWXIMIA-JKSUJKDBSA-N 304.434 2.801 0 50 DFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)C1[C@H]2CCC[C@H]12 238138071 VLNXRQMCGAQADE-RYUDHWBXSA-N 323.339 2.814 0 50 DFAA COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)CC2CCCCC2)O1 239672559 BTXCEDNMLBFNQB-MIGQKNRLSA-N 323.433 2.667 0 50 DFAA CC(C)(C)OC(=O)N1CCN(c2cnc3cc[nH]c3c2)CC1 14401117 IYRPLSBYGVIJGG-UHFFFAOYSA-N 302.378 2.620 0 50 DFAA in-vitro Cc1cc(C)n([C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)n1 665699833 KQFQFXVKCUXUBE-HNNXBMFYSA-N 312.421 2.706 0 50 DFAA CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C1 22289053 TXMHXBSZKBBGJI-UHFFFAOYSA-N 306.362 2.532 0 50 DFAA in-vitro COc1ccccc1[C@@H](NC(=O)c1cccc(O)n1)c1ccco1 376579705 HIQTXDCNSGVYBD-QGZVFWFLSA-N 324.336 2.908 0 50 DFAA C[C@@H](NC(N)=O)c1noc(-c2ccc(F)c(C(F)F)c2)n1 904071500 RVTBAKPQZUGLJF-RXMQYKEDSA-N 300.240 2.543 0 50 DFAA Oc1ncnc2cnc(NC[C@]34CCCC[C@H]3C4(F)F)cc12 1875295087 QMUDHRDZEGLZJZ-BXUZGUMPSA-N 306.316 2.968 0 50 DFAA CON1CCC(CC(=O)N2CCc3scc(C)c3C2)CC1 1875267767 YGGZRRDLRMSNMO-UHFFFAOYSA-N 308.447 2.605 0 50 DFAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc(Cl)cc2Cl)cn1 1875379132 NQTYWMQSMWVALO-BLVKFPJESA-N 312.200 2.990 0 50 DFAA CC(C)c1cccc(C(=O)NC2(CC(N)=O)CCCCC2)n1 891318854 CEDXNPJIRBNHGD-UHFFFAOYSA-N 303.406 2.513 0 50 DFAA CCCCn1cc(C(=O)N2CC[C@@H](c3ccon3)C2)c(C)n1 1775994096 STHKTSHIFNZESW-CYBMUJFWSA-N 302.378 2.609 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](O)CC(C)(C)C2)s1 295398604 SEDQZVPCRDRKQY-GFCCVEGCSA-N 317.476 2.537 0 50 DFAA CCCC[C@@H](CC)C(=O)N1C[C@H](C(=O)O)CC12CCOCC2 2325784575 WGUUZVRAJSUVAM-ZIAGYGMSSA-N 311.422 2.685 0 50 DFAA CN1CCc2cc(C(=O)Nc3cnc4ccccn34)sc2C1 2325798006 GCNZLPZFIQUMGZ-UHFFFAOYSA-N 312.398 2.636 0 50 DFAA Cc1cc(C)c(/C=C/CN2CCC[C@]2(CCO)C(=O)O)c(C)c1 2325830065 ZPFMAOOEZXDCBA-OQBYNLHGSA-N 317.429 2.927 0 50 DFAA Cc1ccc(OCCOC(=O)c2cccc(CN(C)C)c2)nc1 2325862752 HEVNWOVPIHUJEC-UHFFFAOYSA-N 314.385 2.687 0 50 DFAA O=C(N[C@@H](c1ccccn1)C1CC1)c1ccc2c(O)ncnc2c1 1456080631 PDPNPZMIOIMNMK-MRXNPFEDSA-N 320.352 2.612 0 50 DFAA Cc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccccc1 328101 ZBZPREYPYINMND-UHFFFAOYSA-N 311.307 2.569 0 50 DFAA NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCCC2 2745756 DVUIVSPGQHYXMZ-UHFFFAOYSA-N 315.398 2.763 0 50 DFAA COc1ccccc1NC(=O)COc1ccc(Cl)cc1CO 2871606 WHWYFIVJSLDRCL-UHFFFAOYSA-N 321.760 2.858 0 50 DFAA Cc1ccc(C(=O)N2CCCc3c(OC(F)F)cccc32)nn1 412362169 GRHIDTJLPPWGPE-UHFFFAOYSA-N 319.311 2.979 0 50 DFAA Cc1cnc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)nc1C 343248038 WVCSBKNNRBLYTQ-DOMZBBRYSA-N 305.328 2.684 0 50 DFAA CCc1csc(CNC(=O)c2cccc(-n3cccn3)c2)n1 67855684 OAVJMVIAAYMTLE-UHFFFAOYSA-N 312.398 2.821 0 50 DFAA CCn1ccnc1CN1CCC([C@@H](O)c2cccs2)CC1 65405746 FLJCDHDCSOJXEL-MRXNPFEDSA-N 305.447 2.910 0 50 DFAA CCCn1cnc(NC(=O)N[C@H](c2ccco2)C(F)(F)F)n1 20867480 WHYIZZKCPXGHNC-SECBINFHSA-N 317.271 2.706 0 50 DFAA CCNC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CN)C2 67692824 CRDOBSSSFJNQES-CQSZACIVSA-N 310.397 2.674 0 50 DFAA CCc1nnc([C@@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 229296044 KUWVUGJFXXNHRM-ZYHUDNBSSA-N 317.393 2.833 0 50 DFAA Cc1cccn2cc(CCN[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)nc12 252512541 SAIPLCBEXLQQNO-BRWVUGGUSA-N 313.445 2.978 0 50 DFAA O=C(NCCc1nc2ccc(Cl)cc2[nH]1)c1ccncc1F 215341687 KSQYZIFJHGGARK-UHFFFAOYSA-N 318.739 2.723 0 50 DFAA c1ccc([C@H](Nc2ncnc3c2CCNCC3)c2ccco2)cc1 72407821 GPKULYRLSIOXGO-SFHVURJKSA-N 320.396 2.959 0 50 DFAA COC1CCC(NC(=O)N2CCO[C@H](c3ccccc3)C2)CC1 331766528 BBCXSJJRQMDZMG-JCYILVPMSA-N 318.417 2.727 0 50 DFAA O=C(O)c1ccc(-c2nccn2CC2(O)CCCCC2)cc1 71714554 JQAWCNWPQLBAGJ-UHFFFAOYSA-N 300.358 2.944 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NCC[C@H]2CCOC2)c1 72440766 XWINIXILYGAZMZ-HNNXBMFYSA-N 305.418 2.547 0 50 DFAA COC(=O)c1nc([C@@H]2CCCN2CC2=CCCOC2)sc1C 253430410 ZROPEBBQJZVPBW-ZDUSSCGKSA-N 322.430 2.722 0 50 DFAA Cc1nc([C@H]2CCCCN2C(=O)c2ccc(O)c(Cl)c2)n[nH]1 253424451 GJTFOFFGBUQKHF-GFCCVEGCSA-N 320.780 2.840 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)CCc1cc2ccccc2o1 360815218 BXFCLFCQIWNDGY-AWEZNQCLSA-N 301.342 2.831 0 50 DFAA COC(=O)c1cc(C(C)C)ccc1NC(=O)N1CCC[C@H]1CO 153775685 DCLUPBBPTDBOMM-ZDUSSCGKSA-N 320.389 2.585 0 50 DFAA c1cc(-c2nccn2C2CCN(C[C@@H]3CCCO3)CC2)ccn1 77504602 JOCSWIKZWOQYNT-KRWDZBQOSA-N 312.417 2.761 0 50 DFAA Cc1cc(CN(C)C(=O)[C@@H]2CCCN2Cc2ccccc2)on1 218979743 WRRVXDAVWZJQDF-KRWDZBQOSA-N 313.401 2.606 0 50 DFAA Cc1nc(C)c(CC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)s1 215594396 DWCWITUKRISFAJ-CQSZACIVSA-N 320.462 2.730 0 50 DFAA NC(=O)CN1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 72174595 YMIVIPKWUYFIES-CYBMUJFWSA-N 314.351 2.835 0 50 DFAA CC1(C)C[C@@H](NC(=O)CCn2cnc3ccccc32)CCO1 155615563 AQPMRFONTKECML-ZDUSSCGKSA-N 301.390 2.500 0 50 DFAA Nc1ncc(CN2CC3(CCOCC3)c3ccccc32)s1 261959327 HAYREIAHTSSHOP-UHFFFAOYSA-N 301.415 2.794 0 50 DFAA CN(Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1ccsc1 216045430 QZTIGNVOKIESIZ-HNNXBMFYSA-N 318.446 2.761 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1c1ccc(Cl)cc1 263259538 UPONETACDFIFDY-BFHYXJOUSA-N 319.788 2.767 0 50 DFAA O=C(Nc1ccc2c(c1)CN(C1CCC1)CC2)[C@H]1CCCO1 14976775 WUVSGKYWYFKRAG-QGZVFWFLSA-N 300.402 2.715 0 50 DFAA CC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 226546725 JONIKCCQQXSVDF-VQISRLSMSA-N 301.342 2.538 0 50 DFAA Cc1nc(-c2ccc(CNC(=O)CCc3cccnc3)cc2)no1 223613097 AYASPIXZXHZKKO-UHFFFAOYSA-N 322.368 2.689 0 50 DFAA C[C@]1(C(=O)O)CCCN1C(=O)Cc1csc2ccccc12 263386902 CCRGJDOJBWDJLY-MRXNPFEDSA-N 303.383 2.910 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)c1cc(C(C)C)nn1C 82098030 QPCOLNMFNJFSKX-CQSZACIVSA-N 307.438 2.965 0 50 DFAA COc1ccc(C)nc1NS(=O)(=O)c1cc(C)sc1C 178201669 WNWVFWDEFVLOIU-UHFFFAOYSA-N 312.416 2.878 0 50 DFAA O=C(c1cscn1)N1CCC(c2nccn2CC2CC2)CC1 82116027 GESOOWOULHRKCK-UHFFFAOYSA-N 316.430 2.769 0 50 DFAA CCN1C[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)CC1=O 91493286 IJVVLEHYJJZZNL-SFHVURJKSA-N 322.408 2.838 0 50 DFAA CC(C)c1c(-c2ccccc2)ncn1[C@@H](CCC(N)=O)C(=O)O 91326708 MTKDHBGUWQKWLF-ZDUSSCGKSA-N 315.373 2.565 0 50 DFAA CC1(C)CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)nn1 294123189 KNXRQHDPKXJORA-ZDUSSCGKSA-N 302.422 2.633 0 50 DFAA CC1=C(c2ccccc2)[C@@H]1C(=O)N(C)Cc1nncn1C(C)C 91966192 IYLFLLLRCDEKPK-QGZVFWFLSA-N 310.401 2.921 0 50 DFAA C[C@@H]1CCCCN1C1CN(Cc2cncn2Cc2ccccc2)C1 243892410 AHWXMRWJFGYYFG-QGZVFWFLSA-N 324.472 2.990 0 50 DFAA COCCN(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 244708007 KLXKYMXASAZZOI-AWEZNQCLSA-N 322.424 2.721 0 50 DFAA CC(C)(C)c1cc(CNC(=O)[C@@H](C(=O)O)C2CCCCC2)[nH]n1 299784132 IWYKKUWEZIEXMF-AWEZNQCLSA-N 321.421 2.605 0 50 DFAA COc1cc2c(cc1CN[C@H](C)CC(C)(C)OC)OCCO2 584900912 VWHLAEACWXWILE-GFCCVEGCSA-N 309.406 2.760 0 50 DFAA CCCc1ncncc1C(=O)N1CC(Oc2cccc(C)c2)C1 584898971 IEZFVYQTAPUOGV-UHFFFAOYSA-N 311.385 2.641 0 50 DFAA CCCc1ncc(C(=O)Nc2ccc3nc(CN)[nH]c3c2)s1 1345417662 DSFFUOFAKGTBMG-UHFFFAOYSA-N 315.402 2.683 0 50 DFAA OC[C@@H]1CCCCN1CCNCc1cccc(C(F)(F)F)c1 952991479 SKAOMIQMCQXNOI-HNNXBMFYSA-N 316.367 2.642 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc([C@@H]2CCOC2)c1 270525179 AGWPQJGSAWGHLC-NZSAHSFTSA-N 323.392 2.579 0 50 DFAA COCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCc2occc21 170088909 HDMCQUVOUGMZNY-CHWSQXEVSA-N 302.378 2.520 0 50 DFAA Cc1cc(O)nc([C@H](C)N2CCC(C(=O)OC(C)(C)C)CC2)n1 279500482 PHLNVCUVIMTWEV-LBPRGKRZSA-N 321.421 2.605 0 50 DFAA Cc1cc(=O)n(Cc2ccn(C(C)C)n2)cc1Br 193092734 OFZABCDZCUCIEJ-UHFFFAOYSA-N 310.195 2.745 0 50 DFAA O=C(Nc1ccncn1)N[C@@H]1CCCOc2cc(F)ccc21 194053291 JSYFGWFVLXDPCL-GFCCVEGCSA-N 302.309 2.651 0 50 DFAA CCc1ccccc1S(=O)(=O)Nc1nnc(C(C)(C)C)o1 194791297 YYDQWMRXYCDZLM-UHFFFAOYSA-N 309.391 2.730 0 50 DFAA CO[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)N1)c1ccc(Cl)cc1 653096364 KHSYVUKPNKBLOH-ARFHVFGLSA-N 322.836 2.674 0 50 DFAA O=C1[C@H](N[C@@H]2CCCn3nccc32)CCCN1C1CCCCC1 657986353 VYUSLWXQZYDLTL-HZPDHXFCSA-N 316.449 2.631 0 50 DFAA C[C@@H](c1nc(C2CC2)no1)N1Cc2c[nH]nc2CC(C)(C)C1 664870128 ZGSVPYSWWNVKNQ-JTQLQIEISA-N 301.394 2.816 0 50 DFAA CN1Cc2c(NCc3cnc(C(C)(C)C)nc3)cccc2C1=O 666415271 JVEAYGHRHYSLQQ-UHFFFAOYSA-N 310.401 2.972 0 50 DFAA COC[C@H](CN(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)OC 585094109 BJGTVVOVIZOGFM-WDSOQIARSA-N 320.477 2.633 0 50 DFAA O=C(CC[C@@H]1CCCO1)Nc1ccc(-c2nnco2)c(F)c1 1615606004 REEOPWVQBJJOBH-NSHDSACASA-N 305.309 2.773 0 50 DFAA CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ncccc1C2=O 201922053 IIEMEFZYFPCYBC-UHFFFAOYSA-N 302.374 2.838 0 50 DFAA COC(=O)[C@@H](c1ccccc1)N1CCC(C2CCNCC2)CC1 1857670689 AJTKAOLAICNBSZ-GOSISDBHSA-N 316.445 2.612 0 50 DFAA Cc1nc(NC(=O)[C@H]2CCCNC2=O)cc(-c2ccccc2)c1C 1857715514 VIZGTDNSBDPHFF-HNNXBMFYSA-N 323.396 2.830 0 50 DFAA CCC[C@]1(CO)CCN(Cc2nc3ccccc3s2)C[C@H]1O 1875249043 ABSGLJRHVDGTFQ-NVXWUHKLSA-N 320.458 2.642 0 50 DFAA CN1Cc2cc(-c3cc(C(=O)N4CCCC4)ccn3)ccc2C1=O 1875251229 ZSWLHZIARXCTJI-UHFFFAOYSA-N 321.380 2.570 0 50 DFAA O[C@@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCc2ccccc2C1 105606617 LBKQAOZQTPAMGS-LWCVALJOSA-N 315.457 2.858 0 50 DFAA biogenic CCOc1c(Cl)cccc1CC(=O)Nc1c[nH]c(=O)c(C)c1 225634111 SXYOIJYOOJUJKI-UHFFFAOYSA-N 320.776 2.917 0 50 DFAA C=Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)cc1 436479673 WZLRSEASYUKWMZ-UHFFFAOYSA-N 317.366 2.758 0 50 DFAA Cc1noc(C2CCN([C@@H](C(=O)O)c3ccccc3F)CC2)n1 584534866 HTCDMDULQOKOGM-CQSZACIVSA-N 319.336 2.522 0 50 DFAA Cc1sc2ncnc(N3CC(OC(=O)NC(C)C)C3)c2c1C 585083245 GBIRIUWLTSCXJY-UHFFFAOYSA-N 320.418 2.631 0 50 DFAA COc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c(F)c1 266391537 VTZFBQUPFIQWEG-YHWZYXNKSA-N 306.381 2.579 0 50 DFAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccccc1N1CCCCC1 905075535 WTYDAAAAVUPJKI-INIZCTEOSA-N 315.417 2.626 0 50 DFAA Cc1nocc1CNC(=O)C1(c2cccnc2)CC2(CCC2)C1 908613159 YYVYOYDTELBOQZ-UHFFFAOYSA-N 311.385 2.896 0 50 DFAA FCCn1cc(-c2noc(-c3ccc4c(c3)CCOC4)n2)cn1 924398035 YUWHLCLPTUDWJX-UHFFFAOYSA-N 314.320 2.642 0 50 DFAA O=C1NCCN[C@H]1c1cccc(-c2cc(C(F)(F)F)ccn2)c1 952882691 IMSFLXTUWFDYBJ-AWEZNQCLSA-N 321.302 2.528 0 50 DFAA CC(C)(C(=O)N1CC=CCC1)[C@@H]1CCC[C@H](C(F)(F)F)N1 952992927 SYESBDJINRBKMN-NWDGAFQWSA-N 304.356 2.874 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccncc3O)cc2)c1C 1875260668 AUKCVFMLTVTRKG-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA Cc1nccc([C@H]2CCCN(c3nnccc3C(F)(F)F)C2)n1 1875286234 LPXXGUCSJHZKDB-NSHDSACASA-N 323.322 2.978 0 50 DFAA Cc1cc(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)on1 1875267475 ANZJVHKMDXHYGJ-KBPBESRZSA-N 301.346 2.677 0 50 DFAA O=C1Cc2c(cccc2-c2cc(Cl)cc3c2CCNC3=O)N1 1875324768 MDVLQLAIISCHOP-UHFFFAOYSA-N 312.756 2.788 0 50 DFAA Cc1cccc(C(=O)NC2CCN(Cc3nocc3C)CC2)c1 879351478 NLVMFGKGVTYCEK-UHFFFAOYSA-N 313.401 2.686 0 50 DFAA Cc1cc(C)cc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)c1 899620416 WWWZMNQMFMEABL-AWEZNQCLSA-N 301.308 2.690 0 50 DFAA CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C 1427349 PSNNGUDFSQRFJC-HOCLYGCPSA-N 316.401 2.728 0 50 DFAA CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 380178 PRGIHTJSAGBNKZ-UHFFFAOYSA-N 319.382 2.836 0 50 DFAA c1nc2c([nH]1)C1(CCCCC1)N(Cc1nc(C3CC3)no1)CC2 2325771844 VGPGSXRLXNTJNI-UHFFFAOYSA-N 313.405 2.888 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCC[C@@H](C(=O)O)C1)C2 2325778143 CYJJZMXBAFSUQZ-DOMZBBRYSA-N 302.374 2.664 0 50 DFAA Cc1cnc2ccccc2c1N1CCN(Cc2cocn2)CC1 2325790728 FXGIMBJJUVUVGO-UHFFFAOYSA-N 308.385 2.853 0 50 DFAA Cc1nn2c(C(=O)NC[C@@H]3CCC[C@@H]3C3CC3)c(C)nc2s1 2325791563 QFFOPOXVAOZIOA-QWHCGFSZSA-N 318.446 2.964 0 50 DFAA Cn1cccc(CNCc2ccc(-c3ccncc3)cc2)c1=O 2325856908 HRRHXRLHLLYFJH-UHFFFAOYSA-N 305.381 2.737 0 50 DFAA O=C(Nc1ccc2nc(O)oc2c1)c1ccc2c(n1)CCCN2 2325862521 XDNKSMLHVZYQNB-UHFFFAOYSA-N 310.313 2.539 0 50 DFAA Cc1cccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1 38434 HOYXVDJVQLHUHW-UHFFFAOYSA-N 318.398 2.790 0 50 DFAA O=S(=O)(Nc1nccs1)c1ccc(-n2cccc2)cc1 80774 UDAKYDODJUGJDQ-UHFFFAOYSA-N 305.384 2.735 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2F)N1 186396 KQMMJWLHUVQLLA-HOTGVXAUSA-N 310.328 2.995 0 50 DFAA biogenic O=C(C[C@H](c1ccc(F)cc1)c1ccco1)N1CCOCC1 549149 LQKHTOUIMCXWHB-OAHLLOKOSA-N 303.333 2.800 0 50 DFAA COc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1 609388 ULZKJDQJNCDALU-UHFFFAOYSA-N 304.390 2.999 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)COCc3ccccc3)C[C@H]21 2356148866 XLZXYOJVGMBZQZ-SCTDSRPQSA-N 317.429 2.603 0 50 DFAA O=C(c1cc2cc(Br)ccc2o1)N1CCOCC1 4854440 URRKMNCDEVQXPU-UHFFFAOYSA-N 310.147 2.668 0 50 DFAA CC(C)(C)c1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1 9683864 KPBFZTGDNHCXBW-UHFFFAOYSA-N 319.430 2.821 0 50 DFAA in-vivo CCc1oc(C(=O)N2CCCC[C@H]2CN)cc1CN(CC)CC 55042561 YNRMOMRMSVCVSF-HNNXBMFYSA-N 321.465 2.637 0 50 DFAA COc1ccc(NC(=O)Cc2cccs2)cc1NC(C)=O 10778723 ZMOOQSLQMFLVIU-UHFFFAOYSA-N 304.371 2.896 0 50 DFAA CO[C@@H]1OC[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1Oc1c(C)cc(C)cc1C 25664672 GGLPLAULEGCCCC-QSPRXWTASA-N 322.401 2.882 0 50 DFAA C[C@@H](C(=O)Nc1ncccn1)N1CCC[C@H]1c1cccs1 249101228 DDNQUABGNFNBAH-RYUDHWBXSA-N 302.403 2.702 0 50 DFAA CCCCNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(OC)cc1 252477830 VZJKFCQWFKVXEA-WBVHZDCISA-N 319.449 2.787 0 50 DFAA O=C(CC1=CCCCC1)NCc1nnc(C2CC2)n1C1CC1 122476313 OXZIQQYFKIXTLZ-UHFFFAOYSA-N 300.406 2.997 0 50 DFAA CCc1nc(C)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)o1 67852276 CJBNMJCYHAYMAM-UHFFFAOYSA-N 314.389 2.789 0 50 DFAA Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccnn2C)c1C 2768116 FTMMFQVZVIFMFT-UHFFFAOYSA-N 323.400 2.842 0 50 DFAA COc1cc(C)c(CN2CCC[C@](O)(CO)CC2)cc1C(C)C 216520037 MEVACQYAAKDSIZ-LJQANCHMSA-N 321.461 2.836 0 50 DFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CCc1ccco1 77299048 JHKCQQBEQSLEAO-QGZVFWFLSA-N 312.413 2.727 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)c1cc(=O)n2ccccc2n1 151064605 MZYBRZRFFOOPCF-KGLIPLIRSA-N 315.417 2.724 0 50 DFAA COc1ccccc1C1(C(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1 360625032 JUDZFZZXSDEEAT-LSDHHAIUSA-N 317.429 2.642 0 50 DFAA Cn1cncc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 216250225 IKKOQQIFMPFVTL-AWEZNQCLSA-N 309.417 2.751 0 50 DFAA CC(C)c1nc(C2(NC(=O)Cc3ccoc3)CCCC2)no1 128054924 WFSNVQUXBGLZPF-UHFFFAOYSA-N 303.362 2.914 0 50 DFAA C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCN1 155093441 SPPPILMCLWXGRJ-LLVKDONJSA-N 313.376 2.685 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@@H](C(=O)O)C1 128543747 LRCWFLQOOMZMHA-HFBDAHEESA-N 317.385 2.507 0 50 DFAA CC(C)[C@@H]1CN(Cc2ccncc2)CCC(=O)N1CC1CC1 71760154 JDFJYVXYSMVTTB-KRWDZBQOSA-N 301.434 2.551 0 50 DFAA CC(C)C[C@@H](CN1CCCC1)NC(=O)CCc1cncs1 452345296 QMNYUZKKAJCRCB-AWEZNQCLSA-N 309.479 2.702 0 50 DFAA Cc1c[nH]nc1CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 375080498 LIHGFUZTUBPCTL-OAHLLOKOSA-N 324.428 2.834 0 50 DFAA CCc1nsc(N2CCC(Oc3ncccc3C)CC2)n1 375746611 XOFCRUZMDWDPBA-UHFFFAOYSA-N 304.419 2.852 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2c2ccnc3ccncc23)c1 283679857 ZCQMERQITWOGJD-IFXJQAMLSA-N 321.380 2.951 0 50 DFAA CCOC(=O)[C@@H]1CCCN(c2cc(Cl)c3cc[nH]c3n2)C1 72133148 XXSJZQPUAUCECC-SNVBAGLBSA-N 307.781 2.996 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)NC[C@@H](C)c3ccccc3)C2)n1 426662303 QZUHHKLANJTZQP-CYBMUJFWSA-N 312.417 2.870 0 50 DFAA CNC[C@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 178969741 PZJBNGGDYVZRHH-MRXNPFEDSA-N 324.424 2.800 0 50 DFAA C[C@H](c1cccc(CN(C)CCN2CCCCC2=O)c1)N(C)C 97819538 LQHRVBKLZODCNV-MRXNPFEDSA-N 317.477 2.754 0 50 DFAA c1cc([C@@H]2CCCN2)sc1-c1nc(C2CCOCC2)n[nH]1 97797365 XFKLYKHKRZXVBG-NSHDSACASA-N 304.419 2.852 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCc2[nH]ncc2C1 91695344 QKQBTCFVWNAGIL-LLVKDONJSA-N 304.419 2.585 0 50 DFAA CCn1ccc(CN2CCC[C@@H](c3cccc(C(=O)O)c3)C2)n1 95384771 VBZYGRPIODMYJY-MRXNPFEDSA-N 313.401 2.981 0 50 DFAA COC(=O)C[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2F)C1 97475083 OXFPPIDPUNMRCD-MRVPVSSYSA-N 316.279 2.521 0 50 DFAA Cc1cccc(=O)n1CCCNc1nccc(-c2cccnc2)n1 96131177 VNRABPWPNDBJRA-UHFFFAOYSA-N 321.384 2.511 0 50 DFAA O=C(N[C@H]1CCCc2c(F)cc(F)cc21)N1CCC[C@@H](O)CC1 297593332 MWLLWPAGOHTBDC-WBMJQRKESA-N 324.371 2.899 0 50 DFAA CC(C)c1cc(CN(C)C(=O)[C@@H]2CC(=O)OC23CCCC3)no1 299783632 WRLMOCPSNCXWOH-ZDUSSCGKSA-N 320.389 2.632 0 50 DFAA Cc1ccc(C(=O)N2CCC([C@@H](C)N(C)C)CC2)n1C(F)F 584885689 NOIWTEMXBRPACH-GFCCVEGCSA-N 313.392 2.994 0 50 DFAA CC(C)C1=NO[C@H](C(=O)N2CCOc3ccc(Cl)cc3C2)C1 584897996 GNASCPCGFLXADM-HNNXBMFYSA-N 322.792 2.862 0 50 DFAA CC(C)CN(Cc1ccsc1)S(=O)(=O)N1CCCC1 952988885 ACQLEASGQLEBSW-UHFFFAOYSA-N 302.465 2.547 0 50 DFAA CCn1c(S[C@H](C)c2nccc(N)n2)nnc1-c1ccco1 408518520 LVEBNQMXPBCMJV-SECBINFHSA-N 316.390 2.784 0 50 DFAA CCNc1ncc(C(=O)Nc2cc(C3CC3)n(CC)n2)s1 269338758 AUCJNWZYJLVZRR-UHFFFAOYSA-N 305.407 2.921 0 50 DFAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccncc1Cl 275756956 ZKYGOFQYRAJFOS-LSDHHAIUSA-N 317.776 2.780 0 50 DFAA CC(C)OC1CC(N[C@H](C)C(=O)N2CCc3ccccc32)C1 170083096 CZFGGXUBVUCPCE-IUDNXUCKSA-N 302.418 2.510 0 50 DFAA Cc1noc(C)c1C(=O)N1CCC(Oc2ncccc2F)CC1 278629583 XUKUORXHOSVNLR-UHFFFAOYSA-N 319.336 2.509 0 50 DFAA CC(F)(F)CCC(=O)NCCCN1CCc2ccccc2C1 170623008 XMNBBFKWFAVIAR-UHFFFAOYSA-N 310.388 2.986 0 50 DFAA COC(=O)c1cc(CSc2nc3ncncc3[nH]2)c(C)s1 186750101 WSSXWXLWZJUFLJ-UHFFFAOYSA-N 320.399 2.802 0 50 DFAA CCn1cc(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)cn1 189850647 VKGUNORSCBDIBZ-SNVBAGLBSA-N 305.765 2.984 0 50 DFAA Cn1nccc1CS(=O)(=O)[C@H]1CCc2c(Cl)cccc21 194439313 CDOLWRUBHOPKMQ-AWEZNQCLSA-N 310.806 2.676 0 50 DFAA CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 661123419 BPFUWYIAOSSZBT-SJWGOKEGSA-N 302.418 2.972 0 50 DFAA Cc1cc(C(F)(F)F)nc(NCc2nnc(C(C)C)n2C)n1 680375746 BFFVBGYVANKDEG-UHFFFAOYSA-N 314.315 2.668 0 50 DFAA NC[C@@H](C(=O)NC1CC2(C1)CC2(F)F)C1CCCCCC1 1615553801 NTZXSYBFDHILTJ-JVWICGRDSA-N 300.393 2.836 0 50 DFAA CN1C(=O)CCN(C(=O)c2nc(Cl)cs2)c2ccccc21 1616026392 DXXRBLCFCRHZBM-UHFFFAOYSA-N 321.789 2.810 0 50 DFAA O=C(O)c1coc(N[C@H]2CCCN(Cc3ccccc3F)C2)n1 1506408388 XVJGSRZUCAFIDJ-LBPRGKRZSA-N 319.336 2.588 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@H](C(C)C)O1 1529110031 JCDRYFKCEGVXRQ-UKRRQHHQSA-N 306.406 2.843 0 50 DFAA COC(=O)CNc1cc(Br)ccc1N1CCCC1 129651970 YUOFIOLMXTZQJZ-UHFFFAOYSA-N 313.195 2.634 0 50 DFAA CCSC[C@@H](C)N1CCCN(C(=O)c2cncc(C)c2)CC1 1775979549 JXWDBGJJHFASSV-OAHLLOKOSA-N 321.490 2.680 0 50 DFAA CSCC(=O)N1CCC[C@](CO)(CCc2ccccc2)C1 12209691 XYCCHCXOSAWSPN-KRWDZBQOSA-N 307.459 2.583 0 50 DFAA C[C@]1(CCC(=O)N2CCC[C@@H](c3ccccc3)C2)CCC(=O)N1 14878804 CWIQVKSNMQYVLT-VQIMIIECSA-N 314.429 2.842 0 50 DFAA Cc1cc(F)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1F 237649346 VHTGBOYWMXHRMF-NSHDSACASA-N 311.328 2.990 0 50 DFAA Cc1noc(C)c1CC(=O)Nc1cc(Cl)cc(C(=O)O)c1 147468896 YRLBMSQTWSBXRJ-UHFFFAOYSA-N 308.721 2.824 0 50 DFAA Cc1nc(C(C)C)ccc1CN1CCO[C@@H](c2ccnn2C)C1 933538228 CHXPLCAZJLAQNT-GOSISDBHSA-N 314.433 2.820 0 50 DFAA COc1cc(O)ncc1C(=O)N(C)Cc1cc(C)cc(C)c1 935657274 AHJZYYMTYKLDNN-UHFFFAOYSA-N 300.358 2.685 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)Nc2nc(C(C)C)co2)cc1 1287594374 WTIBIMOAXKJMNN-UHFFFAOYSA-N 313.357 2.853 0 50 DFAA COc1cc(C(=O)Nc2csnc2OC)cc(OC)c1C 952993047 AKTSGWOIALDYGB-UHFFFAOYSA-N 308.359 2.730 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)/C=C(\C)c2ccccc2)C1 888077550 HYPVGGXPULRKPI-ROCUKZSVSA-N 311.385 2.802 0 50 DFAA C[C@H]1CN(C2CC2)CCN1C(=O)c1cc(-c2ccccc2)on1 2100477077 CEVIBCDOKPOANI-ZDUSSCGKSA-N 311.385 2.650 0 50 DFAA CSC(C)(C)[C@H](N)C(=O)NCc1ccc2sccc2c1 2100539388 GIGOPKKZUOYNSQ-CYBMUJFWSA-N 308.472 2.986 0 50 DFAA C[C@@H]1CNCC[C@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)no1 2325774639 FMFGPBNGFLQTIF-ZWNOBZJWSA-N 319.792 2.723 0 50 DFAA Cc1nc2c([nH]1)CN(C(=O)/C=C/c1cn(C)c3ccccc13)CC2 2325802140 KXTUZDKGHMWPIV-BQYQJAHWSA-N 320.396 2.808 0 50 DFAA N[C@H]1CCc2cc(C(=O)N3C[C@H](C(F)F)C4(CC4)C3)ccc2C1 2325808657 RJAXDANJOQLEAA-LSDHHAIUSA-N 320.383 2.620 0 50 DFAA CC(C)(C)OC(=O)N1CCO[C@@H](COCc2ccccc2)C1 113533825 KECCCNNRVKAUBS-OAHLLOKOSA-N 307.390 2.839 0 50 DFAA O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccnc1 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COc1cccc(C2=C[C@@H](c3cccs3)n3nnnc3N2)c1 100636435 YPAQTZDMUAXTTF-ZDUSSCGKSA-N 311.370 2.799 0 50 DFAA CC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc1 102879674 UEMKENRDLMEJOM-QLPKVWCKSA-N 315.417 2.693 0 50 DFAA Cc1cc(C)cc(C[C@@H]2CC(=O)N(Cc3cc(C)on3)C2=O)c1 101088327 BRRAJSSXBSVWMJ-OAHLLOKOSA-N 312.369 2.718 0 50 DFAA CCOCCN(CCOCC)c1nc(C)nc2sccc12 55308318 DVLIFSLQTQMEFE-UHFFFAOYSA-N 309.435 2.879 0 50 DFAA Cc1nc2ccccn2c1CN[C@H]1CCO[C@]2(CCSC2)C1 344999164 QQCQNFQCTOJPOD-WMLDXEAASA-N 317.458 2.787 0 50 DFAA C[C@H](Cc1cccs1)NC(=O)c1cccc(NCC(=O)O)c1 55243254 IHESGOIYAUNZRA-LLVKDONJSA-N 318.398 2.606 0 50 DFAA O=C(NCc1ccco1)[C@H]1CCCN1c1nccc2occc12 134899003 SFPOSPYCTKCZMQ-CQSZACIVSA-N 311.341 2.706 0 50 DFAA Cc1ccc(C)c(CN(C)C(=O)[C@H]2CCCN2C(=O)C(C)C)c1 346841468 WAVMDMPBLBCWEU-QGZVFWFLSA-N 316.445 2.909 0 50 DFAA Cc1cccc([C@@H](c2nc(C)nn2-c2ccccn2)N(C)C)c1 65375815 UYJLMWNOSYRDMQ-KRWDZBQOSA-N 307.401 2.930 0 50 DFAA CC(C)(C)c1cnc(CN2CC[C@@](C(=O)O)(C(F)(F)F)C2)o1 314976927 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BPYKDBVIAXYRBZ-KRWDZBQOSA-N 312.413 2.974 0 50 DFAA Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237600370 BZJWAUQASBMMFJ-LSDHHAIUSA-N 319.401 2.866 0 50 DFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1cnn(C(C)C)c1 77437738 ZVZLXBYPBICPSE-UHFFFAOYSA-N 317.393 2.777 0 50 DFAA O=C(c1ccccc1-n1cccn1)N1CCC(c2ncc[nH]2)CC1 72425524 STZBNACYMXYMBC-UHFFFAOYSA-N 321.384 2.615 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)CCOC(C)C)c1 158167966 UCEUTHSGONBJGK-UHFFFAOYSA-N 320.418 2.618 0 50 DFAA COc1ccc(CN2CCCn3cncc3C2)c(Cl)c1OC 72133321 PQOJFUOIWCHACU-UHFFFAOYSA-N 321.808 2.960 0 50 DFAA Cc1nccc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1 608081354 RVCTXBJWVPAWAU-UHFFFAOYSA-N 316.430 2.554 0 50 DFAA CCOc1cccc(NC(=O)N2CCOC[C@@H]2CC(F)F)c1 287053847 OTQBGDOMVOLWQK-LBPRGKRZSA-N 314.332 2.973 0 50 DFAA CC1(C)OC[C@H](COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)O1 177078296 YFCQJKDHIZDUJE-GMXVVIOVSA-N 312.312 2.763 0 50 DFAA CN(C)C(=O)c1cncc(-c2ccccc2OC(F)(F)F)n1 426545440 RESVAFGKYVXJRT-UHFFFAOYSA-N 311.263 2.744 0 50 DFAA Cc1ccccc1[C@@H](C(=O)NC1(CO)CCCCCC1)N(C)C 95505114 CAPVZMWFLAFPPD-KRWDZBQOSA-N 318.461 2.799 0 50 DFAA Cc1ccc2c(CC(=O)N[C@H]3CCc4c[nH]nc4C3)coc2c1 426599761 PHJFTOKESDYOMZ-AWEZNQCLSA-N 309.369 2.681 0 50 DFAA CC(=O)N[C@@H]1CN(C2Cc3ccccc3C2)C[C@H]1c1ccc(C)o1 91876988 FXVRKHZQDLPTAS-RTBURBONSA-N 324.424 2.659 0 50 DFAA C[C@H](N)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95526965 NDCSWDGOOGNEBA-INIZCTEOSA-N 308.425 2.942 0 50 DFAA Cc1nc(C(=O)N(C)CC[C@@H](O)c2ccccc2)c(C)s1 97446969 LUCDEYUKDHJOGY-CQSZACIVSA-N 304.415 2.956 0 50 DFAA Cc1nc(N)cc(N2CCC[C@@H](c3nc4ccccc4n3C)C2)n1 91997520 XRPOKJCYOIILNP-CYBMUJFWSA-N 322.416 2.638 0 50 DFAA COC(=O)c1ccc(-c2cc(OC)cc(C(=O)OC)c2)cc1 97756941 SEYGEGOAUCAUKY-UHFFFAOYSA-N 300.310 2.935 0 50 DFAA COCC1(CNCc2cc(=O)c3cc(F)ccc3[nH]2)CCCC1 91487035 RGUDKSHKEPIKAT-UHFFFAOYSA-N 318.392 2.964 0 50 DFAA O=C(COC[C@@H]1CCCCO1)NCc1ccc2c(c1)CCCC2 244899482 ZKOOSWZJJYRTMQ-SFHVURJKSA-N 317.429 2.767 0 50 DFAA Cc1cnc(CN2CC(Oc3ccccc3F)C2)c(C)c1O 253536625 ZAKKNRULPMFZOO-UHFFFAOYSA-N 302.349 2.806 0 50 DFAA COCC(C)(C)CNC(=O)CC[C@@H]1CCCN2CCCC[C@H]12 534665370 MKRGGGIGKPCGQH-JKSUJKDBSA-N 310.482 2.820 0 50 DFAA Cc1ccc2[nH]c(C(=O)N[C@@H](C)c3nc(C4CC4)no3)nc2c1 299792852 GWYFUCNDWJTHDY-VIFPVBQESA-N 311.345 2.623 0 50 DFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)CN2CCCCC2)cc1 828052067 ABLXWYSEBHHLGO-AWEZNQCLSA-N 315.417 2.626 0 50 DFAA CCc1noc(CN(CC)C(=O)c2c(C)cccc2OC)n1 823569422 KPQZTTKOWFWOPN-UHFFFAOYSA-N 303.362 2.611 0 50 DFAA Cc1cccc(C[C@@H](C)NC(=O)CCCn2nc(C)cc2C)n1 584896574 KEDDWNZTOPQHIZ-CQSZACIVSA-N 314.433 2.731 0 50 DFAA O=C(c1ccc(F)cc1)C1CCN(C(=O)C(F)(F)F)CC1 71257506 UWAXFSJGYHHFAJ-UHFFFAOYSA-N 303.255 2.809 0 50 DFAA in-vitro COc1cccc(CNC(=O)c2nccc(Cl)c2F)c1OC 170601868 VBAZCNDHCPMGBA-UHFFFAOYSA-N 324.739 2.821 0 50 DFAA O=C(NCCCCc1nccs1)[C@H]1OCCc2ccccc21 170685663 BUXFSKJPHVRVDX-INIZCTEOSA-N 316.426 2.896 0 50 DFAA C[C@H]1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 271837266 FXSFTMASZCZFAO-DOTOQJQBSA-N 316.445 2.582 0 50 DFAA CN(C)S(=O)(=O)c1ccc(-c2noc(C3CCCC3)n2)cc1 273671570 AJTJEHBQCTUANZ-UHFFFAOYSA-N 321.402 2.645 0 50 DFAA c1ccc(-n2cccn2)c(-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)c1 273877443 OGQUZGDNIYONDF-UXIGCNINSA-N 308.341 2.957 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCc2ccccc2C1 275436022 FNYGMJSLWCTZEI-BZSNNMDCSA-N 311.429 2.880 0 50 DFAA Cc1nc(N[C@@H](C)c2ncnn2C)c2c3c(sc2n1)CCC3 276427417 AWDHLFUREUBGBL-QMMMGPOBSA-N 314.418 2.790 0 50 DFAA CCCc1cc(C(=O)NCc2ccc(Br)o2)[nH]n1 189317645 PQKBLFMUVFECDK-UHFFFAOYSA-N 312.167 2.648 0 50 DFAA O=C(Cc1ccc2c(c1)OCCO2)N[C@H]1CCCc2occc21 192486655 BHSSSFFUYDYFHC-AWEZNQCLSA-N 313.353 2.787 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)CCc2ccsc2)c2ccccc21 192937292 RHLZDOBMFOSTEC-CYBMUJFWSA-N 301.367 2.896 0 50 DFAA COCc1cc(F)ccc1NC(=O)C[C@H](C)N1CCCCC1=O 193851243 BUEPHBMZZPUKIG-LBPRGKRZSA-N 322.380 2.702 0 50 DFAA CCOC[C@@H]1CCN(Cc2cccn2CC(=O)OC(C)(C)C)C1 585117747 VNLIXKACYUICTH-OAHLLOKOSA-N 322.449 2.688 0 50 DFAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)Nc3cnc4c(F)c(F)ccc4c3)C[C@@H]21 1615544449 BOMGXWBWYPYLGV-HEQLZXTPSA-N 317.339 2.825 0 50 DFAA CN(C)Cc1nnc(NCCSc2ccc(Cl)cc2)o1 1772712062 GPKGKIPTAYBTFV-UHFFFAOYSA-N 312.826 2.989 0 50 DFAA COc1ccccc1OC(=O)CCn1c(=O)oc2ccccc21 11612335 KTAYBKMJNIWWQE-UHFFFAOYSA-N 313.309 2.599 0 50 DFAA O=C(c1cccnc1)N1CCO[C@H](CCCc2ccccc2)C1 12050332 JPTMJLFAKIWHLJ-GOSISDBHSA-N 310.397 2.946 0 50 DFAA O=C(c1ccccc1Cl)N1CCN(c2ccccn2)CC1 18122412 QLPUAVNURGUQQK-UHFFFAOYSA-N 301.777 2.697 0 50 DFAA CCOCCn1nc(C)nc1-c1c(-c2ccccc2)n[nH]c1C 1857680820 VKPCRRGPRGDIMB-UHFFFAOYSA-N 311.389 2.989 0 50 DFAA CC1=C(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)CCCO1 225541374 VSLNIXLEBROZKU-ZBFHGGJFSA-N 305.349 2.544 0 50 DFAA O=C(N[C@@H]1CC12CCOCC2)N[C@H]1C[C@H](c2ccccc2F)C1 333282014 YBCIQEAOJFRCTI-XJKCOSOUSA-N 318.392 2.940 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C1 238083464 MMJICTXAQCUZBS-LBPRGKRZSA-N 307.415 2.883 0 50 DFAA COc1ccccc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 238855121 QOAMKNSIXZGURH-BNOWGMLFSA-N 303.358 2.553 0 50 DFAA in-vitro CC(C)C[C@@H](NC(=O)c1ccc(F)c2ccncc12)C(=O)O 659761959 MZLXYTACOGBCCK-CQSZACIVSA-N 304.321 2.603 0 50 DFAA CCc1noc(C)c1NC(=O)N1CCO[C@H](C(F)(F)F)[C@H]1C 666443481 BBHWZRSYAWWNHJ-HQJQHLMTSA-N 321.299 2.729 0 50 DFAA C[C@H](CC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1F 365920881 HXYPUYSUIBBFAJ-GFCCVEGCSA-N 316.380 2.844 0 50 DFAA CCc1ncnc(N2CCC(c3nccc(C)n3)CC2)c1F 371824317 VQPNNNHYAPNTLY-UHFFFAOYSA-N 301.369 2.661 0 50 DFAA Cc1cc(C)n2c(CN[C@@H]3CN(C)Cc4ccccc43)cnc2n1 372974012 KVDIFONZUCEMJN-GOSISDBHSA-N 321.428 2.622 0 50 DFAA O=C(O)CC[C@H]1Cc2ccccc2N(C(=O)c2cscn2)C1 902827575 YHHLTXHQGIBADS-NSHDSACASA-N 316.382 2.827 0 50 DFAA CCc1c(NC(=O)[C@@H]2CCCC(=O)N2C)cnn1C(CC)CC 907707661 ASNNAOKZADODIX-HNNXBMFYSA-N 320.437 2.756 0 50 DFAA O=C(O)[C@@H](CNCc1ccc(Cl)c(F)c1)C1CCOCC1 863743571 OLGAGFCNKYGGQY-LBPRGKRZSA-N 315.772 2.696 0 50 DFAA CCC(CC)[C@H]1C[C@H](NC(=O)N2CCCc3n[nH]cc32)CCO1 864095688 WKTAJQXEPSLABI-CZUORRHYSA-N 320.437 2.856 0 50 DFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(Cl)c[nH]2)C3)o1 952851530 MKLWHUCALAYKPN-BONVTDFDSA-N 320.780 2.553 0 50 DFAA Fc1cccc2c(NC[C@H]3CC(C(F)(F)F)=NO3)ncnc12 952882490 MRJMXKQUOJHARR-SSDOTTSWSA-N 314.242 2.888 0 50 DFAA Cc1nc2cc(Cl)ccc2cc1C(=O)N(C)C[C@H](O)CF 1875296178 IYXZGPKQGBJNAU-GFCCVEGCSA-N 310.756 2.599 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN(Cc2cc(=O)n3nccc3[nH]2)C1 1875265686 LOWUGAVUEMRKTL-ZBFHGGJFSA-N 322.412 2.648 0 50 DFAA CC(C)c1ccccc1[C@H](C)NC(=O)[C@@H]1CCN2CCOC[C@@H]12 1875312239 JECKEQMRPMVNCC-QGTPRVQTSA-N 316.445 2.708 0 50 DFAA O=C(NC1CCCC1)c1ccccc1OC[C@@H]1C[N@]1CC1CC1 1875385097 MQQYECIJSSUEEZ-KKSFZXQISA-N 314.429 2.832 0 50 DFAA Cc1cc([C@H](C)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)no1 886094965 IXNXFJNMQKFKBW-KHIZAZIESA-N 318.421 2.762 0 50 DFAA CC(C)n1cc(NC(=O)N2CCC[C@@H](c3cn[nH]c3)C2)cn1 1775984700 ARWYABGWYSXZEC-GFCCVEGCSA-N 302.382 2.599 0 50 DFAA COC1(CNC(=O)C2CC(C)(c3ccccc3)C2)CCOCC1 2325796314 IOZXMVHVCCROOX-UHFFFAOYSA-N 317.429 2.666 0 50 DFAA O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1 44671 KAFRCVXCWWINGV-KRWDZBQOSA-N 306.365 2.771 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 322600 YJPLGJZGWAHNOQ-GDBMZVCRSA-N 308.381 2.917 0 50 DFAA CCc1c(OC[C@H](O)CNC(C)C)cc(C)c(OC(C)=O)c1C 395745 YDSJXIMAAQEWJS-OAHLLOKOSA-N 323.433 2.529 0 50 DFAA Cc1ccccc1CN(c1ccc(C(=O)O)cc1)S(C)(=O)=O 4703251 ZIJNIMRUHFVHIJ-UHFFFAOYSA-N 319.382 2.659 0 50 DFAA O=C(CNc1ncc(Br)cc1Cl)N1CCCC1 225419431 YTZHWASGLFCWCB-UHFFFAOYSA-N 318.602 2.532 0 50 DFAA CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccncc1 8989753 ZNSRXMALHKCCNJ-UHFFFAOYSA-N 321.380 2.894 0 50 DFAA O=C(O)[C@H]1CCC[C@H](C(=O)N2CCCc3ccccc3C2)C1 171790637 HQWIEKYVKLHFLA-GJZGRUSLSA-N 301.386 2.852 0 50 DFAA Cc1ccc(O)c(CN(CCCO)Cc2ccc(C)s2)n1 55369972 SDMXXPXUXQXNAP-UHFFFAOYSA-N 306.431 2.850 0 50 DFAA c1cc(CN2CCC(CN3CCCC3)CC2)c2c(c1)OCO2 134202633 MQFDYRVXGZXQHJ-UHFFFAOYSA-N 302.418 2.723 0 50 DFAA CCc1cccc(NC(=O)CCC(=O)NC[C@]2(C)CCCO2)c1 55182441 XBZIFXCTYQETHX-SFHVURJKSA-N 318.417 2.653 0 50 DFAA C[C@@H](Cc1cn(Cc2n[nH]c3c2CCC3)nn1)c1ccccc1 67955614 IZAUYDUYWYLAHU-ZDUSSCGKSA-N 307.401 2.884 0 50 DFAA CC[C@@]1(C)CN(Cc2nc(Cc3ccccc3)no2)CCO1 135620900 HDSNMDINXGHPDQ-KRWDZBQOSA-N 301.390 2.661 0 50 DFAA CSCCCN1CCC(C(=O)NCc2ccccc2)CC1 173477312 VUAIAXKKMKSKRM-UHFFFAOYSA-N 306.475 2.768 0 50 DFAA Cc1cc([C@H](C)NC(=O)N2CC[C@H]([C@H](C)O)C2)cc(C)c1F 230107336 ABOJBWAFUDCISY-IHRRRGAJSA-N 308.397 2.916 0 50 DFAA CC(C)(C(=O)N1CCC[C@H](c2ccccc2)CC1)S(C)(=O)=O 331541269 OIDQDIWRKXPSBX-HNNXBMFYSA-N 323.458 2.606 0 50 DFAA CCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 108842 BGRJZNRXCULTBB-SNVBAGLBSA-N 318.320 2.644 0 50 DFAA CC(=O)N1CCC[C@H](C2=N/C(=C3\N=Nc4ccccc43)NO2)C1 328597836 IYUIDWTWNUVULJ-AKCBPTIMSA-N 311.345 2.602 0 50 DFAA CC1=NN(C(=O)c2csc(C)c2C)[C@@](O)(C(F)(F)F)C1 4124151 ANMNUJNHTPGLGU-NSHDSACASA-N 306.309 2.838 0 50 DFAA Cn1ccnc1COC(=O)c1cccc(F)c1Br 328591044 BICAJCWAXXMZOA-UHFFFAOYSA-N 313.126 2.679 0 50 DFAA CCOC(=O)C1(C)CCN(C(=O)OCc2ccccc2)CC1 39351814 SYAKUJRVWRTGOB-UHFFFAOYSA-N 305.374 2.988 0 50 DFAA COc1coc(CN2CCO[C@@H](CC3CCCCC3)C2)cc1=O 71524093 PXKOYXYSZNOPGB-HNNXBMFYSA-N 321.417 2.820 0 50 DFAA COc1ccc(-c2nnsc2C(=O)Nc2nccs2)cc1 36366953 MDKLTGITZOHOSX-UHFFFAOYSA-N 318.383 2.923 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)n1 257365723 IHEUFVGZXIYTPL-ZACQAIPSSA-N 318.465 2.536 0 50 DFAA COc1ccccc1N1CCN(C[C@@H]2CCOC2)CC1(C)C 72144118 MNSXXNKWHBDNMV-HNNXBMFYSA-N 304.434 2.632 0 50 DFAA C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(OCC(=O)O)cc1 263042779 NJWBDGLTGLDUHC-OLZOCXBDSA-N 303.358 2.684 0 50 DFAA CN(C)c1ncccc1CNC(=O)c1cccc2cccnc12 43050993 CFHAJVBYMANJQT-UHFFFAOYSA-N 306.369 2.626 0 50 DFAA CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)Cc2ccccc21 1365009789 UCXWQIFIDAHNCR-UHFFFAOYSA-N 313.332 2.836 0 50 DFAA CO[C@@H](C)c1nc(C)c(C(=O)N2CCc3cnccc32)s1 176771615 KUMVMUNSVDCVQY-JTQLQIEISA-N 303.387 2.757 0 50 DFAA Cn1cnc2cc(C(=O)N[C@H]3CCc4ccccc4C3)ccc21 337933460 ABOSZZLKGUOFQU-INIZCTEOSA-N 305.381 2.861 0 50 DFAA Cn1c(SCCCc2ccco2)nnc1C1CCNCC1 426435414 OFEQJFQJNICOSW-UHFFFAOYSA-N 306.435 2.600 0 50 DFAA CCn1nc(Cn2cc(-c3nccs3)nn2)c2ccccc21 95383567 MTKDRMVEHSGRSO-UHFFFAOYSA-N 310.386 2.820 0 50 DFAA O=C(Cc1ccccc1F)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91769706 YVXUHECXLJICHB-NVXWUHKLSA-N 316.420 2.701 0 50 DFAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CC(c2ccccn2)C1 97394088 ZOJQGVJYNTXLHW-UHFFFAOYSA-N 322.343 2.850 0 50 DFAA CCN1C[C@]2(CCCN(c3nnc(C4CCC4)o3)C2)CCC1=O 95361700 KMKYKPOJIXPTNV-KRWDZBQOSA-N 318.421 2.566 0 50 DFAA O=c1cc(C2CCNCC2)nc(-c2csc3c2CCCC3)[nH]1 23251205 QYBCIDBFUVCEEP-UHFFFAOYSA-N 315.442 2.844 0 50 DFAA CC(C)c1nc(CN(C)C(=O)[C@@H]2Cc3ccccc3S2)no1 95385513 TUOMMRYTJQGVON-ZDUSSCGKSA-N 317.414 2.868 0 50 DFAA COc1ccc([C@H](NC(=O)C2CCCCC2)[C@H]2C[C@@H](O)C2)cn1 244742318 OFQVILFXRAUJOO-UXLLHSPISA-N 318.417 2.599 0 50 DFAA O=C(CCN1CCN2CCCC[C@H]2C1)Nc1ccccc1Cl 246189656 MAHLNEDNKKECFN-AWEZNQCLSA-N 321.852 2.839 0 50 DFAA Nc1c(-c2cccc(Cl)c2)n(O)c2cc(C=O)ccc2[n+]1=O 368035472 RXJBWFOHVQVRLC-UHFFFAOYSA-N 316.724 2.508 0 50 DFAA Cc1ccc(S[C@@H](C)C(=O)NCc2cnc(C)cn2)cc1 825181678 QNBAOWSSEQWKCR-ZDUSSCGKSA-N 301.415 2.890 0 50 DFAA CN1CCC2(CCN([C@H]3CCN(c4ccc(F)cc4)C3)CC2)C1 584886885 RKYDVPGQWIMYHI-SFHVURJKSA-N 317.452 2.822 0 50 DFAA CC(C)C(=O)Nc1cccc(C(=O)N2CC(c3ccccn3)C2)c1 952978681 RZEBVSPXUDHYCR-UHFFFAOYSA-N 323.396 2.916 0 50 DFAA C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@@]2(CCO[C@@H]2C)O1 279250385 HWDLWGGALPOLOM-PBFPGSCMSA-N 323.820 2.677 0 50 DFAA FC(F)(F)c1ccc(N2CCC[C@@H]2CN2CCCC2)nn1 189075404 UXCQFAPGZNZEBR-LLVKDONJSA-N 300.328 2.560 0 50 DFAA CCC[C@]1(COC)CCCN1C(=O)c1n[nH]c2ccccc12 192744716 WIINTBCINSMQTC-QGZVFWFLSA-N 301.390 2.984 0 50 DFAA O=C(c1nc2ccccc2nc1C1CC1)N1CC[C@]2(CCOC2)C1 649168070 HBCPOPWGTIVBNZ-IBGZPJMESA-N 323.396 2.760 0 50 DFAA C[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 656160457 ZDZOOTWTCUSNQT-BYCMXARLSA-N 302.374 2.884 0 50 DFAA Cc1nc2c(NC(=O)CCNC(=O)OC(C)(C)C)cccc2o1 585087524 DMBKNXXSYAEOJL-UHFFFAOYSA-N 319.361 2.990 0 50 DFAA CCCCCOc1ccc(C(=O)NCc2cc(O)n[nH]2)cc1 1615056883 NKJPCZBYIBYKBC-UHFFFAOYSA-N 303.362 2.614 0 50 DFAA CC[C@H](CN(C)C)NC(=O)CCc1cccc(OC(F)F)c1 1615586013 GHVDWLXIHSDJSG-CYBMUJFWSA-N 314.376 2.677 0 50 DFAA CCCC[C@H]1CN(C(=O)c2cc(OC)ccn2)C[C@@H](C2CC2)O1 1615737429 RSROXPASJBIBNY-RDJZCZTQSA-N 318.417 2.900 0 50 DFAA Cc1nnc(SCC(=O)NCCc2sccc2C)s1 1506415048 UFEAIEJPGBHNIV-UHFFFAOYSA-N 313.473 2.667 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@H]2O)on1 1529089734 AGVHKGLDGGARCW-WBMJQRKESA-N 324.783 2.811 0 50 DFAA Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704343840 FRSACTTUNICHTG-HNNXBMFYSA-N 309.431 2.593 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1CN1CCC[C@@H]1C1(O)CC1 1772808628 WJBQVGHHJDUMOB-GOSISDBHSA-N 311.429 2.978 0 50 DFAA Cc1occc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 11949555 OBLMRTCAQFGGHX-CYBMUJFWSA-N 304.390 2.642 0 50 DFAA CC(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1 12379766 IYOVVSCYBDBNCX-UHFFFAOYSA-N 319.411 2.833 0 50 DFAA CC[C@@]1(C(=O)NCCn2ccc3ccccc32)C[C@@H]2CC[C@H]1N2 1857698672 CNQSFJGLFWZETH-KVSKMBFKSA-N 311.429 2.678 0 50 DFAA Cc1nnc(N(C)C(=O)[C@H]2COc3ccc(Cl)cc32)s1 427735788 KRUZIAWWSIXRAW-JTQLQIEISA-N 309.778 2.639 0 50 DFAA O=C(O)c1cccc(CN2C(=O)CC3(CCCCC3)C2=O)c1 315056066 GGGJSMRPBUDBCW-UHFFFAOYSA-N 301.342 2.594 0 50 DFAA COc1ccc2c(c1)CN(C(=O)[C@H](C)N)[C@@H](c1ccccc1)C2 119592498 QWRJULGKLOFKHS-SCLBCKFNSA-N 310.397 2.668 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)CCCc1nc2ccccc2s1 237587401 JYRLLZHVTAMTFM-QWHCGFSZSA-N 317.458 2.957 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(C(=O)O)c1 344448192 TZTUDJIAQKVJRF-DOMZBBRYSA-N 305.374 2.596 0 50 DFAA CSC[C@@H](C)C(=O)NCc1nc(-c2ccccn2)cs1 585130333 NDNKOSQUPZBLEI-SNVBAGLBSA-N 307.444 2.820 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@H](CC(=O)O)c3ccccc32)s1 387883377 BSBUJGLXDKSFOS-NSHDSACASA-N 316.382 2.979 0 50 DFAA CN1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OC(F)F 266610390 BEAQIVXXWLUANR-NSHDSACASA-N 318.751 2.652 0 50 DFAA Cc1cc(COc2ccc([C@](C)(O)[C@H]3CCCN3C)cc2)no1 818025064 YKHGNJROIIUMFS-MSOLQXFVSA-N 316.401 2.864 0 50 DFAA C[C@@H]1Cc2cc(CNC(=O)c3noc4c3CCCC4)ccc2O1 830848683 QIEICPVGPGQPJN-LLVKDONJSA-N 312.369 2.807 0 50 DFAA Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3cccnc3)C2)n1 869055688 WBKUKQVZMAMDDC-KRWDZBQOSA-N 312.417 2.691 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CN(CCO)C2CC2)C1 1875317976 ILTRXZPVZOQDQM-KGLIPLIRSA-N 312.454 2.527 0 50 DFAA Cc1cc(F)cc(C(=O)NCCc2cnn(-c3ccccc3)n2)c1 1875316253 DMYBSPCDJQFEGB-UHFFFAOYSA-N 324.359 2.687 0 50 DFAA O=C(NCCC1CC1)c1nc(Br)n2ccccc12 1875334745 CFVXVMXXVODODJ-UHFFFAOYSA-N 308.179 2.627 0 50 DFAA c1ccc(-c2ncnc(N[C@@H]3CCCN4CCCC[C@H]34)n2)cc1 884549057 ZIWJRTOBJXOHOZ-HZPDHXFCSA-N 309.417 2.967 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc3ccccc3o2)C1 888077543 HSFLJQIPXGYPPA-CHWSQXEVSA-N 311.341 2.758 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc(F)cn2)C1 888102670 FFYCOZXWTZZMEN-CABCVRRESA-N 304.369 2.523 0 50 DFAA COc1ccc(CN2CCC(Nc3cccnn3)CC2)c(C)c1 891955692 LSWQHQCRHFJKRI-UHFFFAOYSA-N 312.417 2.870 0 50 DFAA O=C(O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 318175 RXTCQBFKYAOSBD-UHFFFAOYSA-N 306.368 2.573 0 50 DFAA COc1ccc(C(=O)c2ccc(OC)cc2OC)c(OC)c1 328135 QGPPRNDMALFDHJ-UHFFFAOYSA-N 302.326 2.952 0 50 DFAA Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1Cl 554114 ZZONUABVZBDGKY-UHFFFAOYSA-N 314.823 2.813 0 50 DFAA O=C(CCc1ccc(F)cc1F)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356149064 IMNKGSIHSWSEFR-FICVDOATSA-N 309.356 2.802 0 50 DFAA Cc1cc([C@@H](C(=O)O)N2Cc3ccccc3C2=O)cc(C)c1O 2356164772 GHSMWKMFJBHKKY-HNNXBMFYSA-N 311.337 2.791 0 50 DFAA CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(C)cc1 4917307 NHDYNIKVYQRRRC-GHRIWEEISA-N 308.381 2.902 0 50 DFAA C[C@@H](C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)n1cncn1 247258137 ZQZWGJWHDFCHMD-XUJVJEKNSA-N 302.353 2.588 0 50 DFAA CCc1oc(C(=O)NC[C@@H]2CCCCO2)cc1CN(CC)CC 55282851 KHRDAEXHBPENIO-HNNXBMFYSA-N 322.449 2.983 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 59740339 RSISFANJKWQRDG-CYBMUJFWSA-N 318.417 2.918 0 50 DFAA O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1[C@H]2CCC[C@H]21 247664544 XWFWLWWZQAZAFR-PJXYFTJBSA-N 314.307 2.642 0 50 DFAA C[C@H](c1ccc(F)cc1F)N1CCN(CCCC(=O)O)CC1 116392933 CHIOJMAUPAOBAX-GFCCVEGCSA-N 312.360 2.508 0 50 DFAA COc1ccccc1OCc1cc(C(=O)N[C@H](C)C(C)C)n[nH]1 67561262 NGJPJEXPUMOQTL-GFCCVEGCSA-N 317.389 2.772 0 50 DFAA Cc1nonc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F 20781419 LXZHGMKGYYSJJB-UHFFFAOYSA-N 319.315 2.678 0 50 DFAA Cc1nnc(SC(C)(C)C(=O)Nc2nccs2)s1 65364011 FFLRVHUWKJYIJO-UHFFFAOYSA-N 300.434 2.812 0 50 DFAA CC1=NN(C(=O)c2csc(C)c2C)[C@](O)(C(F)(F)F)C1 4124150 ANMNUJNHTPGLGU-LLVKDONJSA-N 306.309 2.838 0 50 DFAA CCn1cc(CN(C)C(=O)c2ccc3cccc(F)c3n2)cn1 65423015 MRXKXVTXHKQWKD-UHFFFAOYSA-N 312.348 2.863 0 50 DFAA c1cn(C[C@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)cn1 67880871 AGTGVKGMWPJREG-AWEZNQCLSA-N 311.389 2.778 0 50 DFAA CC(=O)Nc1ccc(CN(Cc2noc(C)n2)C(C)C)cc1 65461117 QPOAREFLWWHEDA-UHFFFAOYSA-N 302.378 2.747 0 50 DFAA OCCNCCCCCCOc1ccccc1Br 23550184 JXPXOCNQKZWPNI-UHFFFAOYSA-N 316.239 2.970 0 50 DFAA COCCN1C[C@H](Cc2ccc3sc(C)nc3c2)CC1=O 219179432 MRLPMAJVQOXULR-CYBMUJFWSA-N 304.415 2.642 0 50 DFAA O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(O)n[nH]2)CC1 328588398 OREWPXJJGQZJTB-UHFFFAOYSA-N 321.768 2.575 0 50 DFAA COc1ccc(C2=NO[C@H](CNc3nc(C)ns3)C2)cc1F 253398408 VKBJUNXJHGNBHM-JTQLQIEISA-N 322.365 2.599 0 50 DFAA CC(C)c1cc(C(=O)NCCCn2ncc3ccccc32)no1 77298805 VANPHSVECFKEHA-UHFFFAOYSA-N 312.373 2.968 0 50 DFAA C[C@@H](c1cccs1)n1cnc2sc3c(c2c1=O)CCNC3 77472597 BDTKPPVRRBCBEE-VIFPVBQESA-N 317.439 2.775 0 50 DFAA COc1ccc(Cl)cc1NC(=O)C1CN(CC(F)(F)F)C1 362346091 JRUZQZIDGAZMMB-UHFFFAOYSA-N 322.714 2.781 0 50 DFAA CCc1noc([C@@H]2CCCN2C(=O)c2cccn2C(C)C)n1 219966174 FCYJQXBAOMKMFD-LBPRGKRZSA-N 302.378 2.992 0 50 DFAA COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(CN)o1 237247174 RHUCCPDGFJFNNR-AWEZNQCLSA-N 314.385 2.594 0 50 DFAA Cc1ncc(CNC(=O)N2CCC(CC(F)(F)F)CC2)o1 333699243 DBTRMKFWKWDVJU-UHFFFAOYSA-N 305.300 2.857 0 50 DFAA Cc1[nH]c2c(C(=O)N3CC[C@@](C)(C(=O)O)C3)cccc2c1C 237724521 TVOCQLLZXJXHHN-QGZVFWFLSA-N 300.358 2.722 0 50 DFAA CCc1occc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(OC)c1 282413542 IEXNXQVXTGQSEM-XJKSGUPXSA-N 315.369 2.799 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)NCCc3nc(C)c[nH]3)c2c1 77472112 RMZSCIDQMWBDJW-UHFFFAOYSA-N 308.385 2.856 0 50 DFAA O=C(NCCC1CC(F)(F)C1)NCc1ccc(CO)c(F)c1 458138106 WGABOXAWBJYAJG-UHFFFAOYSA-N 316.323 2.553 0 50 DFAA Cc1n[nH]c(C)c1CCOC(=O)c1noc2c1CCCCC2 159227387 FNMCVNNRJQOZGQ-UHFFFAOYSA-N 303.362 2.683 0 50 DFAA COc1ccc2[nH]nc(CN3CCC([C@@H](C)N(C)C)CC3)c2c1 77407433 IVKOUPLAWQXJHP-CYBMUJFWSA-N 316.449 2.734 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C[C@@]1(c2ccccc2)CCOC1 215256529 UYGKKZDZMNMTLH-IBGZPJMESA-N 313.445 2.859 0 50 DFAA Cc1nc([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n[nH]1 456055605 SSHBUZLNXMKSKM-OXHMUOHRSA-N 304.781 2.747 0 50 DFAA Cc1csc(N2CCN(C(=O)Nc3nccs3)C[C@@H]2C)n1 605831853 OIFWCQIYKRNOJO-JTQLQIEISA-N 323.447 2.651 0 50 DFAA Cc1cc(CNC(=O)N[C@@H](C)c2cccc(C)c2C)n(C)n1 284349734 YGXXUQRKXQAVOF-AWEZNQCLSA-N 300.406 2.906 0 50 DFAA NC1=Nc2nc3ccccc3n2[C@@H](c2cc(Cl)ccc2F)N1 40284580 VWHYESFOJNPCKF-ZDUSSCGKSA-N 315.739 2.925 0 50 DFAA CCCC[C@@H](NC(=O)c1n[nH]c(N)c1Cl)c1cccnc1 223286846 ACCZBPXNSWTMKS-SNVBAGLBSA-N 307.785 2.702 0 50 DFAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1ccccc1C)CC2 426612995 VEMOTBZEHAYVJF-GBESFXJTSA-N 319.445 2.516 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@H]4CNC[C@H]43)c2c1 95511683 KJIPKFZDDHOTNS-WMLDXEAASA-N 309.413 2.594 0 50 DFAA Cc1cc(C(F)(F)F)cc(=O)n1Cc1noc(CC(C)C)n1 95360469 XZVWPKCCROGNNW-UHFFFAOYSA-N 315.295 2.805 0 50 DFAA CCn1nccc1CN[C@@H](C)c1nc(-c2cccc(F)c2)no1 179011766 BRDAPYAIWJRCIL-NSHDSACASA-N 315.352 2.943 0 50 DFAA O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(c2cccc(O)c2)CC1 426705986 YIMLKOUJFOPJHX-WKILWMFISA-N 318.417 2.585 0 50 DFAA O=C(CCCCc1ccccc1)N1CC[C@@]2(CCCNC2=O)C1 91254544 OUDXICCGPXSLQA-IBGZPJMESA-N 314.429 2.528 0 50 DFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1c1ccccn1 91594642 UDOKDKGQQKHNPB-KRWDZBQOSA-N 319.364 2.900 0 50 DFAA c1ccc([C@@H]2CN(c3nccc(-c4cccnc4)n3)CCN2)cc1 96166390 ABCQJHGTLYZORT-SFHVURJKSA-N 317.396 2.690 0 50 DFAA Cc1cnc(N)nc1N1CCC(c2nc3ccccc3n2C)CC1 92028748 XQTZTEMILIJGFP-UHFFFAOYSA-N 322.416 2.638 0 50 DFAA CCC[C@@H]1CN(C(=O)c2nc3ccc(F)cc3[nH]2)C[C@H]1N(C)C 95509588 ZOEUCSSAFZGDKO-IAQYHMDHSA-N 318.396 2.504 0 50 DFAA CCc1nnc(NC(=O)CCN2CCc3sccc3C2)s1 244678598 IGNUUXKUXOYFQX-UHFFFAOYSA-N 322.459 2.549 0 50 DFAA C[C@@H]1CCCN1Cc1ccc(OCCCN2CCOCC2)cc1 243932695 BYBIIJYPAZJGDV-QGZVFWFLSA-N 318.461 2.772 0 50 DFAA C[C@H](NC(=O)c1ccc(=O)oc1)[C@@H]1[C@H]2CC[C@H]3C[C@@H](C2)C[C@H]31 245310659 JKUIUOHKHIBIIS-PFKRJMHLSA-N 301.386 2.830 0 50 DFAA CCn1ccnc1CN(C)CCC(=O)Nc1ccc(C)c(F)c1 252504196 VIDBZFMNDAWFTK-UHFFFAOYSA-N 318.396 2.811 0 50 DFAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O 253590090 CEMLAYQDMWFPDU-HENCASAXSA-N 306.446 2.930 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 257357679 PIXFHVWJOVNKQK-JCJJIJFZSA-N 306.446 2.930 0 50 DFAA O=C(CCn1cnnc1)NC[C@H](c1ccccc1)C1CCCC1 534649830 HIRHIFJKLRJPLF-QGZVFWFLSA-N 312.417 2.758 0 50 DFAA O=C(NCCc1ncc[nH]1)c1ccc(N2CCCC2)c(Cl)c1 534592722 TUUZBRBQYDPSSD-UHFFFAOYSA-N 318.808 2.636 0 50 DFAA CCOC(=O)Cc1ncc(Br)cc1Br 263624203 OICFZKIPQNFBOB-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA CC1=C(c2ccccc2)[C@H]1C(=O)NCC1(Cn2ccnc2)CC1 534665971 KSFBGAKMRUPUQO-KRWDZBQOSA-N 307.397 2.883 0 50 DFAA Cc1noc(C)c1CNC(=O)N1CC[C@H](Oc2ccccc2)C1 369393887 OENKCQXMYGCOPN-HNNXBMFYSA-N 315.373 2.654 0 50 DFAA CCC[C@@H](C(=O)NCCCn1cc(Cl)cn1)n1cccc1 299794657 MCACEPSTHNTFRG-AWEZNQCLSA-N 308.813 2.886 0 50 DFAA COCCc1nc([C@@H]2CCCCCN2C)n(CC(F)(F)F)n1 824462334 GYAKYFCGABYOBI-NSHDSACASA-N 320.359 2.576 0 50 DFAA CCN(C)C1(CNC(=O)c2n[nH]c(C)c2Cl)CCCCC1 584888712 JDUMFUCKFXCBTA-UHFFFAOYSA-N 312.845 2.756 0 50 DFAA Cc1ccc(NC(C)(C)C(=O)N(C)CCCn2cccn2)cc1 584888597 TXLIDFUVIMWBFQ-UHFFFAOYSA-N 314.433 2.931 0 50 DFAA CN(Cc1ccc(C(F)(F)F)nc1)Cc1noc(C2CC2)n1 670471702 JFBHBBMQWYZAAC-UHFFFAOYSA-N 312.295 2.993 0 50 DFAA C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCO1 271902036 WVCDKZRESICNMV-BPQIPLTHSA-N 316.445 2.582 0 50 DFAA CCN(C(=O)c1scc(C)c1Cl)[C@@H](C)CS(C)(=O)=O 277296847 ROKMLFHLIFHELX-VIFPVBQESA-N 323.867 2.605 0 50 DFAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cn[nH]c1 187082262 GGSDZDRFTXIZFN-IINYFYTJSA-N 305.765 2.665 0 50 DFAA O=C(C[C@H]1C=CCC1)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCC1 634252086 WIHPJHDDUUCLFB-QAETUUGQSA-N 314.429 2.511 0 50 DFAA Cc1nc(C)n(C2CN(C(=O)C[C@@H](C)c3ccccc3F)C2)n1 646096814 NZLYYAZWINLJRV-LLVKDONJSA-N 316.380 2.611 0 50 DFAA Cc1c(NC(=O)c2ccoc2)nnn1Cc1ccccc1F 192378942 ZSUIEMWYNPLGDK-UHFFFAOYSA-N 300.293 2.619 0 50 DFAA Cn1cnc2cc(-c3cccc(CO[C@@H]4CCOC4)c3)ncc21 665179779 FGPVTPCBRDDPCC-OAHLLOKOSA-N 309.369 2.941 0 50 DFAA CO[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2ccc(C(=O)O)cc2)C1 668274005 RFJVPLJCQHROFR-GDBMZVCRSA-N 319.401 2.939 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)CCC2CCOCC2)c2ccccc21 669435005 QNHMVQAFMJIUIK-HNNXBMFYSA-N 317.385 2.798 0 50 DFAA CCCNC(=O)OC[C@@H]1CCCCN1Cc1cccnc1C 585084484 WNTFHYTUJCFZRV-INIZCTEOSA-N 305.422 2.881 0 50 DFAA Cc1cccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1N 1615055945 FVVHHYVHMHGKNU-QWRGUYRKSA-N 316.323 2.759 0 50 DFAA CC(C)(C)[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)CCO1 1615613926 CMHMLOOQOWWKGI-INIZCTEOSA-N 313.401 2.907 0 50 DFAA CC1=CC[C@H]2CN(C(=O)c3csc(CN(C)C)n3)C[C@H]2C1 217089781 KVKLZDISZCPCBQ-QWHCGFSZSA-N 305.447 2.633 0 50 DFAA COC(=O)c1[nH]c2ccccc2c1I 1402159 PBUCSGICMRIPAA-UHFFFAOYSA-N 301.083 2.559 0 50 DFAA in-vitro Cc1ccc(C)c(OCCCN(C)CC[C@H]2COCCO2)c1 1775977947 NWPBMZMHNDAWSC-KRWDZBQOSA-N 307.434 2.810 0 50 DFAA CC(C)Nc1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 11879965 LVVXHTHSXSPDLC-OAHLLOKOSA-N 304.438 2.506 0 50 DFAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)C1CC1 12023356 GSNHWEHVJIUNDP-HNNXBMFYSA-N 318.436 2.949 0 50 DFAA CCCCN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 13549832 KGWAKTOXBNDXMD-LJQANCHMSA-N 321.380 2.842 0 50 DFAA biogenic Cc1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)c(C)c1 15465722 MCZOHLUPBKBYRY-MRXNPFEDSA-N 314.429 2.915 0 50 DFAA CSc1cccc(NC(=O)c2cnc3sccn3c2=O)c1 15629932 RRPGVGDBFCDXNU-UHFFFAOYSA-N 317.395 2.730 0 50 DFAA CCCC(=O)NC[C@H](NC(=O)CCC)[C@@H](C)c1ccccc1 408516176 VOSYMVFPMDLPTG-HOCLYGCPSA-N 304.434 2.991 0 50 DFAA Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](c1ccncc1)C(C)C 241657670 PYGVQIGFKZEMFT-WBMJQRKESA-N 300.406 2.741 0 50 DFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(c2ncccn2)C1 343556736 OMBNJSKIKUEQHR-JTQLQIEISA-N 311.311 2.613 0 50 DFAA O=C(CC1CCC(C(F)(F)F)CC1)N1C[C@@H](F)C[C@H]1CO 347450453 UUEIOUQQWMKXTP-QQFIATSDSA-N 311.319 2.677 0 50 DFAA CCCOc1nc(C)ccc1C(=O)NCc1ccc(OC)nc1 252482070 CXHXCZVGYXGULD-UHFFFAOYSA-N 315.373 2.512 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCCC(=O)N2C)nn1C1CCCCC1 908286364 NFSPISFISITVCT-AWEZNQCLSA-N 318.421 2.646 0 50 DFAA CN(CCc1ccccn1)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 930901452 MWDHAESLPJJRLR-AWEZNQCLSA-N 323.396 2.599 0 50 DFAA CC[C@@](O)(CC(=O)NCCc1cnccc1C)c1ccccc1 855393423 SGPAITPXWJVYQN-LJQANCHMSA-N 312.413 2.737 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1csc(-c2ccsc2)n1 237500431 YWPIHNQTRGHHJL-KOLCDFICSA-N 307.444 2.823 0 50 DFAA O=C(O)[C@@H]1Cc2c(F)cccc2CN1C(=O)[C@@H]1CCC12CCC2 1875320113 GZPYRYRJIHCOAU-ZFWWWQNUSA-N 317.360 2.744 0 50 DFAA c1ccc(-c2ncnc(N[C@H]3CCCN4CCCC[C@@H]34)n2)cc1 884549056 ZIWJRTOBJXOHOZ-HOTGVXAUSA-N 309.417 2.967 0 50 DFAA CO[C@]1(c2nnc(C3(c4ccccc4F)CC3)o2)CCOC1 886082318 WVKLEAJRAJEGDY-MRXNPFEDSA-N 304.321 2.551 0 50 DFAA CN(C)Cc1cc(O[C@H]2CCN(Cc3cccs3)C2)ccn1 886068592 OMASVDILBKXPLB-INIZCTEOSA-N 317.458 2.858 0 50 DFAA CN1CCO[C@H](c2cccc(-c3ccc4c(c3)NC(=O)NC4)c2)C1 1776005195 DBFIKHBITDZEQN-SFHVURJKSA-N 323.396 2.992 0 50 DFAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 13135559 YTNGTVWKISJZGW-SECBINFHSA-N 321.789 2.619 0 50 DFAA Cc1nc2cc(-c3cccc4c3CCN(C)C4)ccc2c(=O)n1C 2325812148 YVTNSVQWYHVBFP-UHFFFAOYSA-N 319.408 2.897 0 50 DFAA CC(=O)c1cccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 310181 RARHMMVKTMICRG-ZIAGYGMSSA-N 303.745 2.911 0 50 DFAA CCOP(=O)(OCC)[C@@H](O)c1ccc(OC)cc1OC 1895625 GBXSUHLFBTVGDP-CYBMUJFWSA-N 304.279 2.961 0 50 DFAA CCOC(=O)C(=CNc1cccc2ncsc12)C(=O)OCC 2546515 SUJRSSZHWMRQNJ-UHFFFAOYSA-N 320.370 2.718 0 50 DFAA O=C(CCC(=O)NCc1cccs1)NCc1cccs1 2749680 UUAVJXIOTWMCFZ-UHFFFAOYSA-N 308.428 2.522 0 50 DFAA COC(=O)c1ccc(OCCOc2cccc(OC)c2)cc1 2985709 MDFDWBIKZNSQNJ-UHFFFAOYSA-N 302.326 2.940 0 50 DFAA COc1ccc(CCNC(=O)Cc2ccccc2F)cc1OC 4336833 QUSFNSPHDOGMTH-UHFFFAOYSA-N 317.360 2.744 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)[C@H]1CSCN1 225463772 BPUOIBYNGFCIQG-JMJZKYOTSA-N 317.241 2.628 0 50 DFAA O=C(NC1CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 9234837 AXYHVASONONNKR-MRVPVSSYSA-N 313.184 2.625 0 50 DFAA O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1COc2ccccc2O1 9970574 GKPXCHFSXIVYRM-MRXNPFEDSA-N 323.304 2.572 0 50 DFAA Cc1nc2c(C(=O)NC[C@@H]3CCN(CC(C)C)C3)cccc2[nH]1 67841988 TYMTXKDOAWQMMR-AWEZNQCLSA-N 314.433 2.579 0 50 DFAA NCCNCCCOc1ccc(OCc2ccccc2)cc1 20118544 PNYSKBWMUQENJW-UHFFFAOYSA-N 300.402 2.583 0 50 DFAA Cn1nncc1COc1cccc(NC(=O)c2cccs2)c1 351906147 WZOUWPSLFJRAKO-UHFFFAOYSA-N 314.370 2.708 0 50 DFAA COC(=O)c1cccc(-c2cccc(CN3CCOCC3)c2)c1 67883807 JOEXPJQODSLRQA-UHFFFAOYSA-N 311.381 2.972 0 50 DFAA C[C@](O)(CNC1CCN(c2ccccc2)CC1)c1ccco1 253419949 FKTRFMISTDPCOD-SFHVURJKSA-N 300.402 2.746 0 50 DFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ccc2nc(S)oc2c1 126656289 YBUZFJSGCMUFPY-NQBHXWOUSA-N 318.398 2.804 0 50 DFAA Cn1ncc(C(=O)NC2CCC(F)(F)CC2)c1-n1cccc1 332011285 OJEPBPHGDVUCLL-UHFFFAOYSA-N 308.332 2.519 0 50 DFAA Cc1nc2ccc(NC(=O)c3cc(C)n([C@H](C)C4CC4)n3)cn2n1 333065745 AGIYAYRMBVSZGN-LLVKDONJSA-N 324.388 2.766 0 50 DFAA CC[C@@]1(C)CCCN(C(=O)c2ccccc2NS(C)(=O)=O)C1 173510538 RCMWXSWZCQXRFS-INIZCTEOSA-N 324.446 2.710 0 50 DFAA Cc1cc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)n(C)n1 333314046 SIYCGRQKRCPMCS-HNNXBMFYSA-N 318.421 2.542 0 50 DFAA C[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 132172448 TYMUIHIUBWATRO-BARDWOONSA-N 312.454 2.525 0 50 DFAA O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1cncc(Br)c1 450701144 FZLQTUKQVNZLBL-MELADBBJSA-N 311.223 2.974 0 50 DFAA C[C@H](CS(=O)(=O)NC(=O)C[C@@H]1C=CCC1)c1ccccc1 129925274 KYWZQZRHXDJOGC-ZIAGYGMSSA-N 307.415 2.592 0 50 DFAA O=C(C[C@H]1CCCN1C(=O)C[C@H]1CCOC1)c1ccccc1 378065085 ZHSNQRCCORXTLP-GDBMZVCRSA-N 301.386 2.677 0 50 DFAA COc1ccc(OC2CCN(C(=O)c3ccoc3)CC2)cc1 77486156 JMIBKJLHTHKZIX-UHFFFAOYSA-N 301.342 2.972 0 50 DFAA COc1ccc(CNC(=O)c2csc(NC(C)C)n2)cc1 40267638 MMLMVSXPLDFWHI-UHFFFAOYSA-N 305.403 2.902 0 50 DFAA Cc1ccc(C(C)(C)CNC(=O)N2CC[C@@H](C(=O)O)C2)c(C)c1 263347136 GWYBYSVOIUIYJT-CQSZACIVSA-N 318.417 2.697 0 50 DFAA CSc1ccccc1CN1CCn2nc([C@@H](C)O)cc2C1 221449855 SBRKLSWFPBHKGK-GFCCVEGCSA-N 303.431 2.674 0 50 DFAA C[C@@H](C(=O)NC(C)(C)c1nccs1)[C@@H](N)c1ccccc1 226393459 YYAVSLUAZYXZSP-DGCLKSJQSA-N 303.431 2.831 0 50 DFAA CC[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)c1nc(C)c[nH]1 91434078 DBNUWXYDHZGAHN-MRXNPFEDSA-N 323.400 2.844 0 50 DFAA COC(=O)Cc1cccc(-c2cc(F)cc(C(=O)OC)c2)c1 97757127 KIBFCKNJAARUKG-UHFFFAOYSA-N 302.301 2.995 0 50 DFAA COc1cccc(F)c1[C@@H](C)NC(=O)c1cnc([C@H](C)O)s1 239352642 ACWDVAHXYSHYCW-BDAKNGLRSA-N 324.377 2.835 0 50 DFAA Cc1cccc(NC(=O)NCc2ccccc2Cn2cccn2)n1 181842998 NJBOUOVTOCGVCQ-UHFFFAOYSA-N 321.384 2.957 0 50 DFAA O=C(N[C@H](C(F)F)C1CCCCC1)c1cc2n(n1)CCCO2 623006552 JDRYTRHSHBGSCS-ZDUSSCGKSA-N 313.348 2.609 0 50 DFAA O=C1Nc2ccccc2CC[C@H]1N[C@@H]1CCCC12CCOCC2 298547932 NVXGIRXQZULGLV-IAGOWNOFSA-N 314.429 2.879 0 50 DFAA O=S(=O)(Cc1ccccc1Cl)NC[C@H]1C[C@H]2C=C[C@H]1C2 606422366 WCSXNEOTRSKWCX-SGMGOOAPSA-N 311.834 2.972 0 50 DFAA Cc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)c2cccnc2)o1 534576774 WUTBLBWOUDFSQH-AWEZNQCLSA-N 317.393 2.702 0 50 DFAA Cc1nn(C)c2nc3c(c(N)c12)C(=O)C[C@@H](c1ccccc1)C3 618257382 WLNVMTVQNOHGHI-LBPRGKRZSA-N 306.369 2.772 0 50 DFAA Cc1nn(C)cc1CN(C)Cc1cc(-c2cccs2)n[nH]1 299777449 KSBLWQAKIMEOGR-UHFFFAOYSA-N 301.419 2.812 0 50 DFAA CC[C@H](NC(=O)c1cc(C(C)C)nc(N)n1)c1cccc(C)n1 299773789 FSTCXYCPHKQKRM-LBPRGKRZSA-N 313.405 2.767 0 50 DFAA CCCCc1nc(CN2CCn3nc(C)cc3C2)c(Cl)[nH]1 584899453 LOPCMXLFTKUBFQ-UHFFFAOYSA-N 307.829 2.926 0 50 DFAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)C2CCOCC2)cc1 827763915 VPYURTDJPQUGJE-LBPRGKRZSA-N 302.374 2.567 0 50 DFAA Cn1ccnc1[C@@H](NC1CSCCSC1)c1ccccc1 670445940 VCKBAEBRCQYVLM-HNNXBMFYSA-N 319.499 2.948 0 50 DFAA CN(CCn1c(=O)oc2ccccc21)C[C@H]1Cc2ccccc2O1 670461665 WHJBINYYWXCASR-OAHLLOKOSA-N 324.380 2.530 0 50 DFAA Cc1ncc(C(=O)NCCCSCc2ccccc2F)cn1 952872965 SKCGCBSWXOUVEV-UHFFFAOYSA-N 319.405 2.977 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2c(Cl)cnn2C)c1C 952974257 CTUSGZYTKDRPJB-UHFFFAOYSA-N 319.752 2.525 0 50 DFAA COc1cc(C)c2c(c1)N(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2 1772799762 NGJJCMQQLTVSME-CYBMUJFWSA-N 307.346 2.754 0 50 DFAA Cc1sc(CC(=O)N[C@H]2CC[C@H](CO)CC2)nc1C(C)C 279605441 YMZABCBNHRNPIO-JOCQHMNTSA-N 310.463 2.785 0 50 DFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 171012286 RDCAKMSWEAULMZ-LBPRGKRZSA-N 318.808 2.628 0 50 DFAA Cc1noc(CCNC(=O)N2CCC[C@H]2c2cccc(F)c2)n1 171224498 AJCQYNKYPVCCGR-AWEZNQCLSA-N 318.352 2.606 0 50 DFAA Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@H]1C[C@H]1C(=O)O 634832118 VBYICXXJECUVHK-TUAOUCFPSA-N 315.291 2.825 0 50 DFAA CC(C)(C)n1cc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)nn1 187828378 UGAVDKDIYZTAOI-HNNXBMFYSA-N 312.417 2.784 0 50 DFAA CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1C[C@H](F)CN1 188272234 YVSOKWFOALALHD-SMDDNHRTSA-N 304.365 2.654 0 50 DFAA C[C@@H]1CN(C(=O)CCc2cnn(C)c2)c2cccc(Cl)c2O1 189864690 AYHIRCWFBGUNAF-LLVKDONJSA-N 319.792 2.820 0 50 DFAA O=C(Nc1cnns1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 192337495 RFJQKGUSJKQATM-SNVBAGLBSA-N 318.358 2.636 0 50 DFAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1nc(C2CC2)nn1C 648317352 VRYFCHFUDNQSEB-CJNGLKHVSA-N 324.428 2.640 0 50 DFAA COc1ccc2c(c1)OCCN(Cc1ccccc1C(=O)O)C2 652446794 ZJCSKRQQRRUUFJ-UHFFFAOYSA-N 313.353 2.788 0 50 DFAA O=C(CCc1ccncc1)Nc1cnn([C@H]2CCCCO2)c1 585130992 IJPXVUNFCZSQFL-MRXNPFEDSA-N 300.362 2.549 0 50 DFAA Cc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c(C)n1 682362550 JCEJLSZFWXQOON-NDBYEHHHSA-N 314.307 2.993 0 50 DFAA CO[C@H](CS(=O)(=O)Nc1ccc2nscc2c1)C(C)C 1615614597 PRLAFGJAWYLZMX-CYBMUJFWSA-N 314.432 2.709 0 50 DFAA Cc1cc(NCc2nc(O)n[nH]2)c2ccc(C(F)(F)F)cc2n1 1506425750 DFILYBZQUBBPHM-UHFFFAOYSA-N 323.278 2.998 0 50 DFAA CC[C@@H](C(=O)NC(C)(C)C)N1CCC(c2ccnc(O)c2)CC1 1772809987 BPTDPVPYOPTTOJ-HNNXBMFYSA-N 319.449 2.660 0 50 DFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cccc(F)c1O 1772711994 ZIHVKGGCRLFUKI-LBPRGKRZSA-N 314.238 2.960 0 50 DFAA COc1ccc2c3c([nH]c2c1)[C@@]1(NCC3)C(=O)Nc2ccccc21 19804810 WMAYESUWLHFVIV-LJQANCHMSA-N 319.364 2.518 0 50 DFAA biogenic COCCN1CCN(c2nc3cc(C(C)(C)C)ccc3o2)CC1 1857679551 MKJUUCMDMOKKME-UHFFFAOYSA-N 317.433 2.894 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc2[nH]ccc(=O)c2c1 913363781 YGFPAZPTRXXCSP-JTQLQIEISA-N 324.384 2.621 0 50 DFAA CCc1ncnc(N2CCC3(CC2)C[C@H]3c2nnc(C)o2)c1F 361066589 BKZZXQRSWJLWKN-NSHDSACASA-N 317.368 2.644 0 50 DFAA CCn1cnnc1[C@@H]1CN(CC[C@H](C)c2ccccc2)CCO1 225586318 NZSQAKYQTSCRQV-RDJZCZTQSA-N 314.433 2.865 0 50 DFAA C[C@@H]1c2ccsc2CCN1C(=O)c1cncc(C(=O)O)c1 630105523 WVTLHPLHEICDGX-SECBINFHSA-N 302.355 2.601 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCc1ncc(-c2ccccc2)o1 237389359 DUOFXJWWGVFRAK-UKRRQHHQSA-N 313.401 2.612 0 50 DFAA COc1ccc2c(c1NCC(=O)NCc1ccccc1)CCC2 252492904 MWZVGWAPEBNAAH-UHFFFAOYSA-N 310.397 2.912 0 50 DFAA CCc1ccc(C(=O)N2CC[C@H](C3CCOCC3)C2)c(O)c1 253428051 ORAJYAGPBDOPHW-HNNXBMFYSA-N 303.402 2.843 0 50 DFAA Cc1cccc(C)c1OC1CCN(C(=O)[C@H]2CCC[C@@H]2N)CC1 152226202 QTJDVNHFRBNZEP-IRXDYDNUSA-N 316.445 2.801 0 50 DFAA CSc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 368884826 WRSSTIHKNLWHQT-LSDHHAIUSA-N 301.415 2.909 0 50 DFAA CC(C)c1ccc(-n2ccnc2S(=O)(=O)[C@H]2CCOC2)cc1 905254064 ZJDVQQPBMKVVCP-HNNXBMFYSA-N 320.414 2.558 0 50 DFAA C=CC(=O)N(C)CC(=O)N1CC2(CCCC2)c2c(F)cccc21 858985782 PBVZWFRKAKTGBD-UHFFFAOYSA-N 316.376 2.629 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(Cc3ccc(Cl)cc3)n2CC1 865215683 VPIXDZOUDYFXFW-GFCCVEGCSA-N 319.792 2.648 0 50 DFAA O=C([C@@H]1CC[C@@H]2[C@H]1C2(F)F)N1CCOc2ccc(F)cc2C1 1875293267 JUUNBZGSYQRYAQ-BZPMIXESSA-N 311.303 2.838 0 50 DFAA Cc1nc(S(=O)(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 1875266556 UTRTWGPIBWVGOC-LURJTMIESA-N 320.201 2.955 0 50 DFAA C[C@H](c1ccco1)N(C(=O)N1CCN(C)CC1)c1ccccn1 1875379561 WFJGCROYKCBUBX-CQSZACIVSA-N 314.389 2.610 0 50 DFAA CCC(C)(C)c1cn([C@H](C)CNC(=O)c2ccnc(C)c2)nn1 1875323784 UDAZSRRDTUVFKJ-CYBMUJFWSA-N 315.421 2.660 0 50 DFAA COC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(C)C 141588 IZPIKZGZWCGUHW-NSHDSACASA-N 303.280 2.633 0 50 DFAA COc1ccc(NC(=O)[C@H]2OCCc3ccccc32)c(OC)c1 528027 IYWDMELAVILDBK-KRWDZBQOSA-N 313.353 2.956 0 50 DFAA CCCCN(CC)c1nnc([C@H](O)C(C)C)n1C[C@@H]1CCOC1 2325769374 AYXCIGZORGQCCE-LSDHHAIUSA-N 324.469 2.630 0 50 DFAA O=C(NO[C@@H]1CCOC1)N1CCC[C@@H]1c1cc(F)ccc1F 2325776065 FGQZGIGQWOBMGQ-BXUZGUMPSA-N 312.316 2.532 0 50 DFAA O=C(c1ccccc1)N(c1ccccn1)[C@H]1CN2CCC1CC2 330915 LYXFYTAGVLTCEA-KRWDZBQOSA-N 307.397 2.823 0 50 DFAA O=C(Nc1nc2ccccc2s1)c1cccc(-n2cnnn2)c1 418386 OSJZDHXBUWNWBQ-UHFFFAOYSA-N 322.353 2.524 0 50 DFAA O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 468413 FHECIBOLTZDLFJ-UHFFFAOYSA-N 318.373 2.506 0 50 DFAA COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1F 6747344 FSLUDHJSGPMWMY-UHFFFAOYSA-N 307.346 2.586 0 50 DFAA CCn1ccnc1CNC(=O)COc1c(C)ccc(C)c1C 55109058 YVBRBDURYOHNED-UHFFFAOYSA-N 301.390 2.523 0 50 DFAA O[C@@]1(Cn2cnc(Cl)c2Cl)CCCN2CCCC[C@@H]21 63848278 KLVBMULATFCXBO-ZWNOBZJWSA-N 304.221 2.569 0 50 DFAA CC[C@]1(C)CN(Cc2nc(Cc3ccccc3)no2)CCO1 135620875 HDSNMDINXGHPDQ-QGZVFWFLSA-N 301.390 2.661 0 50 DFAA CN(Cc1noc(-c2ccccc2)n1)C(=O)c1cc(C2CC2)n[nH]1 67673616 BIHUJYLVAGFNOU-UHFFFAOYSA-N 323.356 2.609 0 50 DFAA CCOC(=O)c1nocc1C(=O)c1ccc(Br)cc1 168590 YQOIILPCBXYPIV-UHFFFAOYSA-N 324.130 2.845 0 50 DFAA C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@@]3(O)C[C@H](O)CC[C@]3(C)[C@@H]1CC2 36370859 IFRIPYPBJCUNAG-MXHGJZDWSA-N 308.462 2.866 0 50 DFAA CN(Cc1ccccc1)c1nccc(-c2cc(C(=O)O)ccn2)n1 71746481 LKBGRKMVEJFSMY-UHFFFAOYSA-N 320.352 2.873 0 50 DFAA C[C@H]1CCCN(CCOc2ccc(CN3CCOCC3)cc2)C1 215972029 PAJWZQMQUDFUJX-KRWDZBQOSA-N 318.461 2.630 0 50 DFAA Cc1csc(CN2CCC[C@H](Nc3ccc(N)nc3)CC2)n1 328624229 CHHXXZGBZYAHHV-ZDUSSCGKSA-N 317.462 2.895 0 50 DFAA CC(C)c1ccn(C2(C(=O)O)CCN(Cc3ccoc3)CC2)n1 72418997 FCHWWTRCGGYSRC-UHFFFAOYSA-N 317.389 2.675 0 50 DFAA CN1CCN(Cc2ccc(SC3CCCCC3)o2)C[C@@H]1CO 216149121 JPXVUVMYPIHCJP-CQSZACIVSA-N 324.490 2.813 0 50 DFAA C[C@@H](NC(=O)c1ccoc1C1(O)CCOCC1)c1ccccc1 370579305 IZGYUJQOGINMAW-CYBMUJFWSA-N 315.369 2.769 0 50 DFAA CN(Cc1ccc(N(C)C)nc1)Cc1cc(-c2ccncc2)no1 72165493 QQNMGDLRDQHTRN-UHFFFAOYSA-N 323.400 2.830 0 50 DFAA Cc1cc(C)n(C[C@H](C)n2cnc3c(C)csc3c2=O)n1 32508963 WJOHVRRFAHCVOJ-LBPRGKRZSA-N 302.403 2.841 0 50 DFAA COC1CCC(N(C)C(=O)CCc2ccc(C(=O)O)cc2)CC1 262401617 MILNLILDTHLHAU-UHFFFAOYSA-N 319.401 2.733 0 50 DFAA CCc1cnc(NC(=O)NC[C@@]2(O)CCc3ccccc32)s1 127678891 AAGNDNDRSYSHAZ-INIZCTEOSA-N 317.414 2.661 0 50 DFAA C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@](C)(C(=O)O)C1 237522628 NBHGDHSZPGBDIS-SJKOYZFVSA-N 307.365 2.718 0 50 DFAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C(C)(C)C)s1 237634720 WZXINRIOTJNAKU-WDEREUQCSA-N 316.492 2.546 0 50 DFAA CC(=O)CCC1(C[C@@H]2COC(C)(C)O2)C(=O)CCCCC1=O 43763388 KSJIZARTJUZZSM-CYBMUJFWSA-N 310.390 2.596 0 50 DFAA CO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c2c(C)ccc(C)c2c1C 223947802 ZNYBYLXNZHFKCV-ZIAGYGMSSA-N 316.401 2.627 0 50 DFAA OC1(CNCc2ccccc2OC2CCCC2)CCOCC1 238140478 ZRGSNABFXHEUIN-UHFFFAOYSA-N 305.418 2.639 0 50 DFAA COCc1cc(NC(=O)C2(OC)CCCCC2)cc(C(=O)O)c1 263555247 YKWVFTCFFPRHCI-UHFFFAOYSA-N 321.373 2.819 0 50 DFAA Cn1cccc1CCC(=O)NCc1nc2c(s1)CCCC2 426689862 MMZDZUXMRVNODV-UHFFFAOYSA-N 303.431 2.609 0 50 DFAA CCn1cncc1CNC(=O)c1cc2c(Cl)cccc2n1C 426534471 OPVQVZMREYEOMV-UHFFFAOYSA-N 316.792 2.978 0 50 DFAA O=C(O)[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]13)[C@H]2Sc1ccc(Cl)cc1 239248154 YEQLLKPKQRZMFA-TXWLSFLZSA-N 324.785 2.693 0 50 DFAA O=C(NCCCc1nnc2n1CCCCC2)c1ccoc1Cl 192389253 LVSDOBHQIVNUDW-UHFFFAOYSA-N 322.796 2.614 0 50 DFAA Cc1cccc([C@H](C(=O)NCc2cnc(C)cc2C)N(C)C)c1 95380994 GYOWOSZDYSFAMF-GOSISDBHSA-N 311.429 2.926 0 50 DFAA CCN1CC[C@H](C(=O)N2CCc3cc(SC)ccc3C2)C1 97553278 UPCKAMBXHJAFDK-HNNXBMFYSA-N 304.459 2.635 0 50 DFAA O=C(Cn1ccnc1-c1ccccc1)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 91526414 RRIFBBNWDCJKQD-PVAVHDDUSA-N 307.397 2.879 0 50 DFAA CCCn1ccnc1CN1CCC[C@@](CC2CC2)(C(=O)O)C1 91706549 MBTKPXBPINLUPA-KRWDZBQOSA-N 305.422 2.760 0 50 DFAA C[C@]1(O)CCN(Cc2cccc(Oc3ccccc3)c2)C[C@@H]1O 96179851 FHIFWOAEBLQZQE-OALUTQOASA-N 313.397 2.797 0 50 DFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)Cc2ccccn2)C1 91737364 ZVBWJVZLTMHLOP-SFHVURJKSA-N 302.418 2.582 0 50 DFAA CC(C)n1ccnc1[C@H]1CCCN(c2nc(CO)cs2)C1 95374750 JHAWHJYYVFDEEQ-LBPRGKRZSA-N 306.435 2.797 0 50 DFAA COc1ccc(CN(C)CCCc2nccn2C)c(OC)c1C 97711586 AEXDRALZPHCUMU-UHFFFAOYSA-N 317.433 2.810 0 50 DFAA Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(C)C3)cnn1-c1ccccn1 620434397 TXOIISWBGLRVHF-GJZGRUSLSA-N 310.401 2.979 0 50 DFAA Cc1ccc([C@H]2CCN(C(=O)Nc3nc(C)n(C)n3)C2)c(C)c1 297387149 LLQGIFCKDGJFOH-AWEZNQCLSA-N 313.405 2.762 0 50 DFAA Cc1nc(CCN2CC[C@@](O)(c3ccccc3C)C2)cs1 252509879 YXJZPOABOXNOTN-KRWDZBQOSA-N 302.443 2.896 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N[C@H](CC(=O)O)c2cccs2)O1 299747742 DXDLBOPTNTVICT-IJLUTSLNSA-N 311.403 2.728 0 50 DFAA CC[C@H](C)[C@@H](CO)NC(=O)CCn1ccc2c(OC)cccc21 252507705 WSGPTCLSDUCGCE-DZGCQCFKSA-N 318.417 2.563 0 50 DFAA O=C(N1CC[C@H](c2ccc(F)cc2)C1)C1(Cn2ccnc2)CC1 299790559 BQIHUTUJUOUMMU-HNNXBMFYSA-N 313.376 2.819 0 50 DFAA Cc1n[nH]c(C2CC2)c1C(=O)N(C)C[C@@H]1CCN(CC(C)C)C1 299778961 IXLWDPUFKZPNBI-AWEZNQCLSA-N 318.465 2.645 0 50 DFAA COCC1(NC(=O)CSc2cccc(OC)c2)CCCC1 299769241 NCTGCBMTRHNEPD-UHFFFAOYSA-N 309.431 2.863 0 50 DFAA CCC[C@H](C(=O)NCc1c(C)nn(CC)c1C)n1cccc1 299788618 YOZKJZXDEKGIBU-MRXNPFEDSA-N 302.422 2.979 0 50 DFAA Cc1[nH]nc(CN(C)Cc2nc(O)c3sccc3n2)c1Cl 823701160 ZEKDKGZKZBUPNY-UHFFFAOYSA-N 323.809 2.714 0 50 DFAA Cc1ocnc1C(=O)NC[C@H](c1ccccc1F)N1CCCC1 584901011 DLKZMSHUFSRTTB-OAHLLOKOSA-N 317.364 2.689 0 50 DFAA COc1ccc2nc(CNC(=O)c3cccn3C3CC3)[nH]c2c1 670473105 VGZSXKMWORWHJP-UHFFFAOYSA-N 310.357 2.638 0 50 DFAA CN1C(=O)N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)[C@@H]1Cc1ccccc1 1336937588 XYPTUMAURGKRKZ-NXOAAHMSSA-N 310.397 2.704 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H]([C@H](C)N)C1 269300326 XKGGKUPSZDFFCN-AVGNSLFASA-N 310.825 2.693 0 50 DFAA Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 270495919 LJROVXWVARBNEC-UHFFFAOYSA-N 321.402 2.541 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N[C@H]1CCO[C@@H]1c1cccnc1 275385005 MGDIFUOJTQFAPW-DZGCQCFKSA-N 313.357 2.515 0 50 DFAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C=C1CCCCC1 276559630 GGVJTBFZDMPCTC-WMLDXEAASA-N 303.406 2.504 0 50 DFAA Cc1cccc(-n2ccnc2SC[C@H](O)Cn2cccn2)c1 169974727 TZRRIALADDWNGG-OAHLLOKOSA-N 314.414 2.530 0 50 DFAA CCC[C@@]1(CO)CCCN1C(=O)c1cc2ccccc2nc1O 278139468 NIBYACOUWZXVOB-SFHVURJKSA-N 314.385 2.708 0 50 DFAA O=C(Cc1ccc(F)cc1F)NCc1cccc(C(=O)O)c1 170660040 GSRCPPUKTFEUDQ-UHFFFAOYSA-N 305.280 2.522 0 50 DFAA O=C(O)[C@@H]1CCN(Cc2nc(C3CCC3)no2)c2ccccc21 634692798 JYFFXIPGBPMPFR-CYBMUJFWSA-N 313.357 2.916 0 50 DFAA CN(C)c1ccc2cc(NC(=O)CCc3c[nH]cn3)ccc2n1 192189803 PCNIAUNJPGVJGO-UHFFFAOYSA-N 309.373 2.595 0 50 DFAA CC(C)CN1CCO[C@H](CNCc2cc(Cl)cs2)C1 192982454 PDHGZBXARHTQHF-CYBMUJFWSA-N 302.871 2.848 0 50 DFAA O=[S@](Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1 194540303 RWIJOTTZSXRFIG-OAQYLSRUSA-N 322.821 2.847 0 50 DFAA O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](c2ccncc2)C1 673501323 GEHQJTQQIPBOSS-CQSZACIVSA-N 310.401 2.703 0 50 DFAA C/C(=C\C(=O)N1CCC[C@H](C(=O)O)C1)c1ccc(F)cc1F 584908381 CMFJZZUVEXOQAJ-HUYFXPKMSA-N 309.312 2.691 0 50 DFAA Cc1ccc(CN[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c(C)c1 1615003238 HTYDSSTURABQFY-UPTPFMHGSA-N 303.402 2.805 0 50 DFAA CCc1nccn1C[C@H](C)NCc1nc(C)c2c(n1)CCCC2 1506411187 XGJOLEJRZATYFN-ZDUSSCGKSA-N 313.449 2.601 0 50 DFAA CCc1nccn1C[C@@H](C)N(C)Cc1cnc2ccccc2n1 1506409424 XFLFBAXEDCKOMA-CQSZACIVSA-N 309.417 2.909 0 50 DFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(C)c(C)c2)C[C@@H]1O 1704312366 ACYFXCKTKNJBBT-WMZOPIPTSA-N 305.418 2.741 0 50 DFAA CCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1180105 LPBOJPFLUMSIPR-WQLSENKSSA-N 323.370 2.769 0 50 DFAA CS(=O)(=O)Cc1ccc(-c2cc(Cl)c(O)cc2F)nc1 1772703539 XUAYZXYYVWHMFF-UHFFFAOYSA-N 315.753 2.791 0 50 DFAA CC(=O)N1CCC[C@@H](c2nnc3n2-c2ccccc2SC3)C1 1772804191 IZKZCYUMZSVBQN-GFCCVEGCSA-N 314.414 2.599 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)CCCCc1ccccc1 1772704843 QADMMKAKHVHVMP-RDJZCZTQSA-N 314.429 2.621 0 50 DFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccccn1 12380698 KPLHODJKBQEOBD-SNVBAGLBSA-N 308.740 2.958 0 50 DFAA O=C(Cc1ccccc1F)N1CCN(c2ccccc2F)CC1 13746500 UMZHYKAVAHXDMP-UHFFFAOYSA-N 316.351 2.856 0 50 DFAA COc1cc(F)ccc1CN[C@@H]1COc2c(cccc2OC)C1 14965175 ZJQLXARVNWESIH-HNNXBMFYSA-N 317.360 2.936 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)Nc3ncc(C)s3)CC2=O)cc1 16579396 KRLXRPZUPRGUCT-LBPRGKRZSA-N 315.398 2.752 0 50 DFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)ccn1 18115725 ZHKBEHUWSYLTKV-HNNXBMFYSA-N 300.314 2.688 0 50 DFAA CC(C)c1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 19960537 UGUMYKRRIWSKPH-UHFFFAOYSA-N 305.341 2.552 0 50 DFAA CCN(C(=O)c1cnn(CC)c1Br)c1ccncc1 820075843 DKOPBTOUTNLTQY-UHFFFAOYSA-N 323.194 2.727 0 50 DFAA O=C(CC1(O)CCCC1)N[C@@H]1CCCOc2cc(F)ccc21 305820390 MCFORHWUSMSFIR-CQSZACIVSA-N 307.365 2.851 0 50 DFAA O=C(CC1CCCC1)N(Cc1cncnc1)[C@@H]1CCCNCC1 328649862 VGWVQZWACFURPQ-QGZVFWFLSA-N 316.449 2.528 0 50 DFAA COc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)cc1F 237350591 BORCJZXNYKICNH-LBPRGKRZSA-N 309.337 2.694 0 50 DFAA CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(C)nn(C)c1N 339954502 CGWUQMVFCDUONO-CYBMUJFWSA-N 320.824 2.715 0 50 DFAA CC(C)(C)n1ncc2c(O)nc(NCCc3ccoc3)nc21 664379767 HFJPACSPJGJYSX-UHFFFAOYSA-N 301.350 2.535 0 50 DFAA COc1cc(CCC(=O)N2CCc3c(Cl)cccc3C2)on1 669027816 WECNQIWKAXUSLE-UHFFFAOYSA-N 320.776 2.854 0 50 DFAA COc1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)c2ccccc12 373352510 WQDGQBCEDFXKNP-LJQANCHMSA-N 311.381 2.835 0 50 DFAA CCOC(=O)c1[nH]c2ccccc2c1NC(=O)N1CCCC1 585138726 NBVATTPBQSABMY-UHFFFAOYSA-N 301.346 2.972 0 50 DFAA C[C@H]1CN(Cc2ccccc2)CCCN1CCC1(O)CCC1 396925086 UHHDOXONMFQVTP-KRWDZBQOSA-N 302.462 2.888 0 50 DFAA Cc1ccc(CNC(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)o1 913715496 HECZRYYRVMGDRT-SNVBAGLBSA-N 313.357 2.661 0 50 DFAA Cc1oc(C(=O)O)cc1CN1CCN(c2ccccc2)[C@@H](C)C1 903957328 MGNPVZVICFJXTJ-ZDUSSCGKSA-N 314.385 2.997 0 50 DFAA CCCc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)o1 1704329190 OQBXTCVCRWXPHF-QZTJIDSGSA-N 306.450 2.511 0 50 DFAA COc1ccc([C@@H]2CCCN2Cc2nnsc2Cl)nc1 934347707 WWAINQGTHZVTCI-LBPRGKRZSA-N 310.810 2.932 0 50 DFAA O=C(NCc1nccn1-c1ccccc1)c1cnn(C2CCC2)c1 935700316 VCWAUPGYYVEXAK-UHFFFAOYSA-N 321.384 2.724 0 50 DFAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC(C)(C)c1ncon1 952995615 RRRFZTLWYZSPQC-MGPQQGTHSA-N 323.437 2.898 0 50 DFAA O=C(O)CC1CCN(C(=O)C[C@@H]2CCCC(F)(F)C2)CC1 1875291547 DAQBXRJNJLOXBA-LBPRGKRZSA-N 303.349 2.915 0 50 DFAA NS(=O)(=O)c1sccc1CNc1ccc(C2CCC2)cn1 1875284391 YBBUNLUWZLCWCG-UHFFFAOYSA-N 323.443 2.670 0 50 DFAA O=C(N[C@@H]1CCc2cc(F)c(F)cc21)[C@@H]1CC(C2CC2)=NO1 1875320126 HSKZBHODWBEDLW-HIFRSBDPSA-N 306.312 2.623 0 50 DFAA O=C([C@H]1C[C@H]1F)N1CCC(c2nc3cccc(F)c3[nH]2)CC1 1875310344 MWLIOJDILIYQLS-CMPLNLGQSA-N 305.328 2.766 0 50 DFAA COc1cc(C)c(CN(C=O)CC(C)(C)CN(C)C)cc1OC 1875325024 GISYELJMCYLBSL-UHFFFAOYSA-N 322.449 2.558 0 50 DFAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)C1C[C@H]2CCC[C@@H]2C1 1875319372 ZMMLHBNYADHDPC-RBSFLKMASA-N 301.434 2.730 0 50 DFAA CO[C@@H]1CCOC[C@H]1NC(=O)NCc1cc2ccccc2s1 892325814 QSKBPZYRPHLEOA-ZIAGYGMSSA-N 320.414 2.504 0 50 DFAA Cc1nc([C@H]2CCCCN2c2ncncc2Br)no1 371978910 OHZMJWYFQLXGJD-SNVBAGLBSA-N 324.182 2.662 0 50 DFAA Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 87271 KJCZHCCCUCWOCS-GFCCVEGCSA-N 313.332 2.521 0 50 DFAA Cc1cc(C(=O)Nc2ccc([C@H](C)N)cc2)n2nc(C)cc2n1 2325745728 BYLMTQODPPBLMQ-LBPRGKRZSA-N 309.373 2.618 0 50 DFAA Cc1ccc2cc(CN3CC(Nc4ncccn4)C3)ccc2n1 2325807666 KZEHIBQPBLADEJ-UHFFFAOYSA-N 305.385 2.630 0 50 DFAA CN(C)c1cccc(N(C)C(=O)Cc2ccc3c(c2)OCO3)c1 2325813204 XOVIKDLIWVFGCS-UHFFFAOYSA-N 312.369 2.687 0 50 DFAA CCOC(=O)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 83274 QRBLNDONAHYQMV-UHFFFAOYSA-N 310.394 2.798 0 50 DFAA Cc1cc(C)cc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1 581081 CKKYMJKHEKINBW-UHFFFAOYSA-N 318.398 2.512 0 50 DFAA COc1ccccc1OCCCN1C(=O)C(=O)c2ccccc21 2700391 MBSNKWIBLPJCMS-UHFFFAOYSA-N 311.337 2.694 0 50 DFAA CCCCOC(=O)Nc1ccccc1C(=O)N1CCOCC1 2813984 RGHSQYUXGNSHJG-UHFFFAOYSA-N 306.362 2.508 0 50 DFAA COc1ccc(NC(=S)NC(=O)c2cccs2)c(OC)c1 4682351 RKOGDQRZICJWLS-UHFFFAOYSA-N 322.411 2.892 0 50 DFAA COc1ccc(CNc2nc(-c3cccnc3)nn2C(C)=O)cc1 4816424 LHUKOASZSVQWLA-UHFFFAOYSA-N 323.356 2.621 0 50 DFAA Cc1nc(C2CCNCC2)cc(N(C)C2Cc3ccccc3C2)n1 67975619 HXQGRZZWOZFZHZ-UHFFFAOYSA-N 322.456 2.856 0 50 DFAA CN(CCCc1cnn(C)c1)C1CCC2(CCNCC2)CC1 67743075 MMTGEIFIIYLTLN-UHFFFAOYSA-N 304.482 2.597 0 50 DFAA Nc1nc2c(s1)[C@H](c1ccc(F)cc1Cl)CC(=O)NC2 65406304 SBHNPTHOQXHZCC-QMMMGPOBSA-N 311.769 2.670 0 50 DFAA CNc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2)ccn1 67742386 OHLPMAKFHSNFQU-UHFFFAOYSA-N 306.369 2.803 0 50 DFAA Cc1nc2sccn2c1C(=O)NCc1snnc1C(C)C 65406812 DGHRQBFGZOXWTK-UHFFFAOYSA-N 321.431 2.609 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)c(O)n1 253532587 CBNMTSPKHMYBJB-KFWWJZLASA-N 317.433 2.573 0 50 DFAA CCOc1ccc2[nH]c(=O)c(CN(C)C3(COC)CC3)cc2c1 67755893 YZBKHOZFPZJRKW-UHFFFAOYSA-N 316.401 2.538 0 50 DFAA CN(Cc1cccn1C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 328649371 VBEHMLXSHRZDCH-ZFWWWQNUSA-N 322.453 2.526 0 50 DFAA CCN1C[C@@]2(CCCN(c3nc(C)nc(C)c3C)C2)CCC1=O 72475022 MDSLLEVPJRMFIF-GOSISDBHSA-N 316.449 2.631 0 50 DFAA CCc1cc(N(C)CC2(CO)CCC2)n2nc(C)c(C)c2n1 72480746 FBIHXTCCGGCKCW-UHFFFAOYSA-N 302.422 2.507 0 50 DFAA O=C(c1cccc(-n2cccn2)c1)N1CC(c2ccccn2)C1 72171330 ZOPCSHWADFKUKN-UHFFFAOYSA-N 304.353 2.507 0 50 DFAA O=C(NC1CCCCCCC1)[C@H]1CCCN1C1CCOCC1 153592637 CLKIUMXTUYJUCN-QGZVFWFLSA-N 308.466 2.859 0 50 DFAA COc1ccc(Cl)cc1/C=C/C(=O)N1C[C@@H](C)N[C@H](C)C1 153886997 SDYIYMAWZQXECC-KSOFABFVSA-N 308.809 2.571 0 50 DFAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 367391828 ILSFDJYASXKFFH-PIGZYNQJSA-N 307.353 2.744 0 50 DFAA CCc1nocc1CNC1CCN([C@H](C)c2ccncc2)CC1 339318850 RMZQEOVTCSEGBM-CQSZACIVSA-N 314.433 2.947 0 50 DFAA CCO[C@@H](C(=O)Nc1cnc2[nH]nc(C)c2c1)c1ccccc1 127327082 WEVWNBYZDKPQAH-OAHLLOKOSA-N 310.357 2.983 0 50 DFAA Cc1ncsc1CCNC(=O)[C@@H]1CCc2ccccc2O1 216513184 BELVDZMITWEBIJ-AWEZNQCLSA-N 302.399 2.504 0 50 DFAA Cc1c(NC(=O)N2CCC(C)(c3ccccc3)CC2)nnn1C 333296389 IIPHPRTVQHAFSW-UHFFFAOYSA-N 313.405 2.709 0 50 DFAA CC[C@H](CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)O)c1ccc(C)cc1 236926527 RYRKOUJDRNICKN-FVQBIDKESA-N 319.401 2.579 0 50 DFAA O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@]2(CCNC2)C1 219244859 NZCQWXYWLAWMFF-INIZCTEOSA-N 310.800 2.624 0 50 DFAA Cc1nnsc1COC(=O)c1cnn(-c2ccccc2)c1C 241644424 PQPMNGRXPHVETJ-UHFFFAOYSA-N 314.370 2.698 0 50 DFAA Cc1nnc(SCCCS(=O)(=O)c2ccccc2)s1 338049786 HJTAWIVXWLSPNR-UHFFFAOYSA-N 314.457 2.803 0 50 DFAA COCc1n[nH]c([C@H]2CCCCN2Cc2ccccc2C)n1 289202174 VMOUWIMAHFTKMZ-OAHLLOKOSA-N 300.406 2.987 0 50 DFAA O=C(CSCC1CC1)NC1CCN(c2ccccc2)CC1 223377250 UVRSVWSYCVVMLV-UHFFFAOYSA-N 304.459 2.915 0 50 DFAA Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC[C@H](CN)C1 178579118 QHYXMWUWFANNCE-LSDHHAIUSA-N 304.434 2.693 0 50 DFAA CCCc1nc(-c2nc(-c3ccc(C)o3)nn2CCO)cs1 96180051 FBCRXONMHCMPDU-UHFFFAOYSA-N 318.402 2.915 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1N(C)C)C2 91745303 XTGFBOOJVDFWON-HZPDHXFCSA-N 315.461 2.699 0 50 DFAA CCCCN(CCCN1CCN(c2ccccc2)CC1)C(C)=O 96026475 AYXAZDROBQOAJI-UHFFFAOYSA-N 317.477 2.847 0 50 DFAA CCN(CC)CC1(n2cnc3cccc(Cl)c3c2=O)CC1 584893993 DIPIGYLJXCXCGD-UHFFFAOYSA-N 305.809 2.881 0 50 DFAA Cn1cc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)c2ccccc21 584884099 MDNXZGFHYYRQTB-FQEVSTJZSA-N 320.392 2.912 0 50 DFAA COc1ccc(-n2ncc3c(N)c4c(nc32)CCCC4=O)cc1 584906238 PQSVSRREZLRXAF-UHFFFAOYSA-N 308.341 2.530 0 50 DFAA Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c(O)cn1 584896633 LURQGFYFZOIHRO-ZDUSSCGKSA-N 300.333 2.864 0 50 DFAA CCCc1cnc(C)nc1NC[C@H]1CCCN(CCOC)C1 952967620 BUTWTBPXVQVQDU-OAHLLOKOSA-N 306.454 2.508 0 50 DFAA CCN(Cc1ccc(C)o1)C(=O)c1cc(CC(C)C)nc(N)n1 952969467 NQYAMNOSERWFSQ-UHFFFAOYSA-N 316.405 2.821 0 50 DFAA CN(Cc1ccccc1)C(=O)N1CC[C@@H](CN2CCCC2)C1 185864855 HLNPDESPUAIYRI-KRWDZBQOSA-N 301.434 2.656 0 50 DFAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@H](C)C[C@@H]1C(N)=O 186993989 POASUNVQSDPELR-QBAKGOIMSA-N 320.820 2.856 0 50 DFAA CC[C@@H](C(=O)O)N1CCC(CN2CCc3ccccc32)CC1 191430041 DLQCIQRFLCOKCO-INIZCTEOSA-N 302.418 2.624 0 50 DFAA CCCOC(=O)c1ccc(NC(=O)[C@H]2CC23CCNCC3)cc1 195530205 WXEWZUZURXODNW-OAHLLOKOSA-N 316.401 2.582 0 50 DFAA C[C@@H](O)CONC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 1615586568 OPTHOHULKTUBEU-ZIAGYGMSSA-N 315.369 2.869 0 50 DFAA O=C(NCCC1CCC(F)(F)CC1)[C@]12CCC[C@H]1NCC2 1615555694 XABXWQVEHKVROW-HIFRSBDPSA-N 300.393 2.850 0 50 DFAA CC(C)[C@H](NC1CCN(Cc2ccco2)CC1)c1nccn1C 1506403446 RRWFMZJYOLSNCR-KRWDZBQOSA-N 316.449 2.964 0 50 DFAA CCc1nn(C)c(NC(=O)c2cccc3c2OCCO3)c1CC 1506414986 TYQNHHRVXGJFSM-UHFFFAOYSA-N 315.373 2.568 0 50 DFAA CC(=O)Nc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)O)cc1 202761 LLNBRXMVQLRLKC-LFIBNONCSA-N 324.336 2.501 0 50 DFAA biogenic CCc1cc(NCc2cnc(C)cn2)nc(N2CCCCC2)n1 1529114686 SLLIGRIWVZRBIO-UHFFFAOYSA-N 312.421 2.740 0 50 DFAA COc1c(Br)cc(C(=O)O)cc1Br 2566006 NAHPGFGVWWKSFU-UHFFFAOYSA-N 309.941 2.918 0 50 DFAA in-vitro CO[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc23)CC[C@@H]1O 1704306784 YGWCWDCZPIBVKL-FHLIZLRMSA-N 313.397 2.632 0 50 DFAA COc1cc(NCc2cnc(C)s2)ncc1Br 330031581 ANBQTJNWFVNKQE-UHFFFAOYSA-N 314.208 3.230 0 50 DFAA CC[C@@]12C[C@@H]1CN(C(=O)c1cnn(-c3ccccc3OC)c1)C2 1772808029 FMFVYSCZNXJDAC-KDOFPFPSSA-N 311.385 2.753 0 50 DFAA CC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 12381876 LRSBGVCTKZLULY-UHFFFAOYSA-N 323.824 2.603 0 50 DFAA CCN(CC)C(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12863823 OXFFGPQVHAGQKD-UHFFFAOYSA-N 306.381 2.546 0 50 DFAA Cc1cc(C)cc(OCC(=O)NCCCN2CCCCC2)c1 13671810 PUKLQLNLPMGPFD-UHFFFAOYSA-N 304.434 2.674 0 50 DFAA O=c1c2[nH]ccc2ncn1Cc1csc(-c2cccs2)n1 1857708135 HHOMJJGYEPNBTL-UHFFFAOYSA-N 314.395 2.958 0 50 DFAA CO[C@@H]1CCCC[C@H]1NC(=O)c1ccn(-c2cccc(F)c2)n1 225612129 SUNBJCWASDJOPK-GDBMZVCRSA-N 317.364 2.699 0 50 DFAA CCC(C)(C)C1CCC(CC(=O)NC[C@]2(O)CCOC2)CC1 330389600 FBLZHGHFRKQMMD-JTTJXQCZSA-N 311.466 2.887 0 50 DFAA NCC1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 237811289 FXLSAFKHYPYOFG-UHFFFAOYSA-N 318.808 2.541 0 50 DFAA O=C(O)c1cccc(OCCN2CCC[C@@H]2[C@H]2CCCOC2)c1 652448367 KHIJHYKLZHEYOB-DOTOQJQBSA-N 319.401 2.655 0 50 DFAA C[C@]1(CNC(=O)c2csc(-c3ccc(O)cc3)n2)CCCO1 755573970 ARWMFUAWTVDHFI-MRXNPFEDSA-N 318.398 2.815 0 50 DFAA Cc1cc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)ccc1Cl 263117536 CCJRDUJLTVANCR-GWCFXTLKSA-N 324.808 2.901 0 50 DFAA CCc1ncc(NC(=O)NCc2ccc3c(c2)C[C@H](C)O3)cn1 930490538 FDIFOQCRYNLYCX-NSHDSACASA-N 312.373 2.684 0 50 DFAA CC1(C)CC(=O)NCCN1Cc1cc(-c2ccc(F)cc2)no1 931208030 ZLTDCHYLTKUGFA-UHFFFAOYSA-N 317.364 2.581 0 50 DFAA Cc1ccc2c(c1)C[C@H](C(=O)N(C)CC[C@@H](N)C(C)C)S2 1857782967 GGTGDRVEQCZXPI-GDBMZVCRSA-N 306.475 2.844 0 50 DFAA CC(=O)N(c1nc(/C=C/c2nc(C)ns2)cs1)C1CC1 952994775 OAKSBLFOICGERN-ZZXKWVIFSA-N 306.416 2.989 0 50 DFAA Cc1nc(N2CCC[C@@H]2c2csc(C)n2)c2c[nH]nc2n1 1875286794 GMOCTACQNSTDAA-GFCCVEGCSA-N 300.391 2.768 0 50 DFAA O=C(Cn1cnc(C(F)(F)F)cc1=O)c1cc2ccccc2[nH]1 1875357362 DLQRGXMAZZEIRQ-UHFFFAOYSA-N 321.258 2.626 0 50 DFAA Cc1ccc(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2C)cc1 1875324699 JFZZPYMTMQEAPE-UHFFFAOYSA-N 309.325 2.899 0 50 DFAA O=C(NCc1cncc(O)c1)[C@@H]1C[C@H]1c1c(F)cccc1Cl 886273255 RNPHQIIHGCAYKP-VXGBXAGGSA-N 320.751 3.000 0 50 DFAA Cc1cnc(O)n1-c1ccc(C(=O)N2CC3(CCCC3)C2)cc1 1776002548 ZCYJMMDJKFAIOW-UHFFFAOYSA-N 311.385 2.903 0 50 DFAA O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1cccc(F)c1 51705 YEZWAPGEWKTZQM-INIZCTEOSA-N 314.341 2.711 0 50 DFAA O=S(=O)(c1cnc(-c2ccc(F)cc2)s1)N1CC=CCC1 2325879284 PJSKQFMYNGEDMO-UHFFFAOYSA-N 324.402 2.900 0 50 DFAA CCOC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O 129688 CPUVANRFIUTGGF-UHFFFAOYSA-N 322.364 2.935 0 50 DFAA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)NC(=O)N1 198055 WBTWEDAFVHBYRK-CQSZACIVSA-N 306.337 2.653 0 50 DFAA COc1ccc(OC)c(NC(=O)c2c(OC)cccc2OC)c1 247705 CDUHUJGYYFRIKK-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA COc1ccccc1NC(=O)c1cc(OC)c(OC)cc1OC 496867 CYIIVUWHGZOSST-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA Cc1ccc(CNC(=O)[C@@H]2CC(=O)OC23CCCC3)c(C)c1 609818 YZEWZYRHCLYJCO-HNNXBMFYSA-N 301.386 2.796 0 50 DFAA CS(=O)(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1 1051096 PYNBORJNLOTLJS-UHFFFAOYSA-N 322.430 2.678 0 50 DFAA O=C1C[C@H](c2ccco2)Cc2nc3nc(C(F)(F)F)nn3cc21 4502347 QEXAVPNMSRUSOM-SSDOTTSWSA-N 322.246 2.649 0 50 DFAA CCCCOc1ccc(C(=O)Nc2nnn(CCCC)n2)cc1 4703810 BZDTUBOQSDPADY-UHFFFAOYSA-N 317.393 2.904 0 50 DFAA COCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 10155091 AOMPZGUGHVKHGF-CABCVRRESA-N 321.373 2.541 0 50 DFAA c1cncc([C@@H](NCCc2cc3ccccc3o2)c2nnc[nH]2)c1 225410030 NSAHJJIUAYHCCJ-QGZVFWFLSA-N 319.368 2.868 0 50 DFAA CCC(=O)Nc1cccc(C(=O)NCCCc2ccncc2)c1 55211874 ZZRQARZQHOIFJW-UHFFFAOYSA-N 311.385 2.793 0 50 DFAA O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cccc2c1OCO2 115104144 SPMKQRZJHFHMEF-AWEZNQCLSA-N 324.380 2.814 0 50 DFAA CCOCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708757 DPUZKLMMTMYFLZ-ZDUSSCGKSA-N 318.200 2.930 0 50 DFAA O=C(CCN1CCC[C@@H]1Cn1cccn1)NC1CCCCCC1 65528233 NWJXBWFBWNUGIO-QGZVFWFLSA-N 318.465 2.577 0 50 DFAA OC1CCN(c2ccnc(NCCC3=CCCCC3)n2)CC1 65398045 FYJLOYWMKBNTOV-UHFFFAOYSA-N 302.422 2.740 0 50 DFAA COc1ccc(C2(C(=O)NCC[C@@H]3CCCN(C)C3)CC2)cc1 67883480 HKFUDJZFBVXRSY-HNNXBMFYSA-N 316.445 2.575 0 50 DFAA COc1ccc(-n2ccnc2-c2ccc(CO)o2)cc1OC 65382104 QRPROHIULYRUSY-UHFFFAOYSA-N 300.314 2.642 0 50 DFAA Cc1cccc2cc(CN3CCCN4CCC[C@H]4C3)c(=O)[nH]c12 67868686 SOIBONMZRBVJTG-KRWDZBQOSA-N 311.429 2.507 0 50 DFAA Nc1nc(CCCNC(=O)C[C@@H]2CCc3ccccc32)cs1 65463048 IYKNFZLQKCXSAM-ZDUSSCGKSA-N 315.442 2.894 0 50 DFAA O=C(O)[C@@H](c1ccsc1)N1CCO[C@H](Cc2ccccc2)C1 328599488 SJRVAICLYCUNCQ-HZPDHXFCSA-N 317.410 2.817 0 50 DFAA O=C1C[C@@H](c2ccc(F)cc2O)c2cc3c(cc2N1)OCO3 65370653 VVIGYYQXZAPGLL-JTQLQIEISA-N 301.273 2.734 0 50 DFAA Cc1c([C@H](C)NCc2nccn2C)cnn1-c1cccc(F)c1 12438245 PGZDTMVBWBWLIF-LBPRGKRZSA-N 313.380 2.904 0 50 DFAA Cc1nnc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)s1 72167594 YEQFFVWOUBVSIV-OAHLLOKOSA-N 315.442 2.870 0 50 DFAA CNc1nc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cs1 77408247 LEJDKPRCRAGMFT-SNVBAGLBSA-N 305.378 2.954 0 50 DFAA CC(=O)N1CCC(NCCOc2c(C)cccc2Cl)CC1 32518070 VDIOXDXZCQOMOI-UHFFFAOYSA-N 310.825 2.628 0 50 DFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCCC1 71753191 KRMLFOVLXVESLA-UHFFFAOYSA-N 314.433 2.802 0 50 DFAA CC(C)[C@H](N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1nc(-c2nnc[nH]2)no1 253370684 UWNYRHKNDVSMPA-RVMXOQNASA-N 318.425 2.966 0 50 DFAA Cc1cnn(CCCN2CCO[C@@H](c3ccc(F)cc3)C2)c1 71523772 DRDMHUUFLRBNGN-QGZVFWFLSA-N 303.381 2.794 0 50 DFAA Cc1cc(C=C2CCN(C(=O)[C@H](O)c3ccccc3)CC2)no1 366211236 RAPKKFXNKMJTRD-QGZVFWFLSA-N 312.369 2.722 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cn1 367316732 ZFMUUWHLGGCGED-LJQANCHMSA-N 310.397 2.556 0 50 DFAA c1cc(-c2nccn2C2CCN(C[C@H]3CCCO3)CC2)ccn1 77504603 JOCSWIKZWOQYNT-QGZVFWFLSA-N 312.417 2.761 0 50 DFAA COc1cc(F)c(C(=O)N2CCC[C@H]2c2ncc[nH]2)cc1OC 371520685 VOLFJYFHJMHMDQ-LBPRGKRZSA-N 319.336 2.543 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(c2ccc3cc[nH]c3n2)C1 72440747 IJWBRWIBJGQCGA-AWEZNQCLSA-N 300.406 2.648 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)CSc2ccccc2)[C@]12CCCO2 375876293 QEIAWYAPXDJHJA-BFYDXBDKSA-N 321.442 2.622 0 50 DFAA CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C)c1ccc(F)cc1F 173143993 ZMDGUVOSJUWKTG-ZUZCIYMTSA-N 310.344 2.543 0 50 DFAA Cc1cn(CCn2ccnc2-c2cccc([C@@H](C)N(C)C)c2)nn1 77406640 MXLYQGFHFFMNCR-OAHLLOKOSA-N 324.432 2.773 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCN2C[C@H]2CCC=CO2)cc1 241930345 UHVSKIDLTPFKLA-IAGOWNOFSA-N 316.401 2.791 0 50 DFAA CCOC1CN(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)C1 455331109 QEAQPYKTBNBDAU-UHFFFAOYSA-N 318.295 2.967 0 50 DFAA Cc1nc(CN2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)oc1C 174595317 AARVOUIICJIUNK-UHFFFAOYSA-N 319.449 2.618 0 50 DFAA Cc1nc(NCCc2ccccc2F)cc([C@H]2C[C@@H](N)C2)n1 223611970 JVBJMTMJWMSZEW-HDJSIYSDSA-N 300.381 2.783 0 50 DFAA COCCN(Cc1ccccc1C)C(=O)[C@H]1CCC[C@@H](O)C1 223802421 HLCFMMZDCOJYBC-DOTOQJQBSA-N 305.418 2.521 0 50 DFAA Cc1cc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)c(C)o1 221225467 YAZHIDDJZMBOSJ-QGZVFWFLSA-N 314.385 2.877 0 50 DFAA CCN(Cc1nc(COC)no1)C(=O)NC1CCCCCCC1 426495833 OXGLMTLMUYFDTM-UHFFFAOYSA-N 324.425 2.860 0 50 DFAA O=C(O)c1c(F)c(F)c(F)c(F)c1I 196386647 XICQUVTZFSOOTK-UHFFFAOYSA-N 319.979 2.546 0 50 DFAA C[C@H](CC(=O)NCCCn1ccc2ccccc21)n1cccn1 424539586 HVCDASHSDAZXNN-OAHLLOKOSA-N 310.401 2.995 0 50 DFAA O=C(Nc1cccc([C@@H](O)CO)c1)Nc1ccc(F)cc1F 161968914 GVXYVTPUBIUHIO-AWEZNQCLSA-N 308.284 2.635 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)c1 239284813 CBUGEEDRWFOKJU-RIMFYDMWSA-N 322.408 2.726 0 50 DFAA O=C1N(C2CCCC2)CCC[C@]12CCN(c1ccc(F)cn1)C2 91914826 VRTKYUBUADZTFQ-GOSISDBHSA-N 317.408 2.982 0 50 DFAA CN(Cc1cc2ccccc2s1)C(=O)CN1CCCCC1=O 95507428 JNGWXCHRNKHIHV-UHFFFAOYSA-N 316.426 2.872 0 50 DFAA Cc1cccnc1[C@H](NC(=O)c1ccc(N(C)C)nc1)C1CC1 97307661 VSGYZIMPTMACCA-QGZVFWFLSA-N 310.401 2.732 0 50 DFAA C[C@@H]1CCc2nc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)sc2C1 239039007 FHKAZKJJCLNVBW-GMTAPVOTSA-N 320.414 2.873 0 50 DFAA CCc1ncc(C(=O)N[C@@H](CC)c2nc(C)c(C)s2)cn1 95388405 WMEZNZJEOQCNKB-LBPRGKRZSA-N 304.419 2.993 0 50 DFAA Cc1nc(CCCNC(=O)CC[C@@H]2CCCN(C)C2)sc1C 95385004 NNYMHSFHEQQTLR-HNNXBMFYSA-N 323.506 2.931 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(C)CCCc2ccccc21 180591640 IFZHCKQFIIAQCB-LJQANCHMSA-N 311.429 2.979 0 50 DFAA COc1ccc(Cn2ncnc2Cc2sc(C)nc2C)cc1 97527277 ULUUALCUFNCFHE-UHFFFAOYSA-N 314.414 2.999 0 50 DFAA Cc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)s1 244742165 OCXFFGIZRBMRSN-HUBLWGQQSA-N 302.399 2.694 0 50 DFAA O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N(c1cccc(F)c1)C1CCOCC1 181000433 APSZBDFVXZYBFM-ZACQAIPSSA-N 319.376 2.905 0 50 DFAA CC[C@H](NC(=O)c1cc(OC)c2ccccc2n1)[C@H]1C[C@H](O)C1 244794787 QTLPNEPSYUUGGG-OBJOEFQTSA-N 314.385 2.523 0 50 DFAA CCOc1ccc(CNC(=O)N[C@@H]2CCCOCC2)cc1F 183565576 BLAGCZOLTFORHU-CYBMUJFWSA-N 310.369 2.593 0 50 DFAA COc1cc(Cl)c(S(=O)(=O)N2CC=CC2)cc1Cl 632443784 AHYXSOROYOXXGL-UHFFFAOYSA-N 308.186 2.563 0 50 DFAA Cc1cccc(NC(=O)CCNC2CSCCSC2)c1 828066192 FGZBIZJLTWXHNV-UHFFFAOYSA-N 310.488 2.762 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](N)c3ccccc3O2)C1 685943873 GAOYLRFKWCYDDW-CXAGYDPISA-N 304.390 2.849 0 50 DFAA CCC[C@]1(CO)CCN(Cc2c(C)cc(C)cc2C)C[C@H]1O 1529190352 HKGBHHDBGZZRSA-RTBURBONSA-N 305.462 2.957 0 50 DFAA CC[C@@H](C(=O)Nc1cc(C)ccc1NC(C)=O)n1cccn1 952966348 HATMEAURTGKMRA-HNNXBMFYSA-N 300.362 2.740 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)c3ccc(Cl)c(C)c3)C2)n1 408051167 GXGIEVUAHXRHEV-LBPRGKRZSA-N 305.765 2.970 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)CCO1 408517277 FLQVFENROQCGGN-IAGOWNOFSA-N 316.445 2.582 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 170592576 YTBLPQBRODQXAI-FZMZJTMJSA-N 313.357 2.808 0 50 DFAA O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1CCCCN1 170673876 UOTZSMBNIKEUQR-AWEZNQCLSA-N 312.373 2.695 0 50 DFAA COc1ccc(OS(=O)(=O)CCC(F)(F)Cl)cc1 585115910 ZHMOWJHDMKOPLI-UHFFFAOYSA-N 300.710 2.626 0 50 DFAA CC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 1529113027 WTBOKGQZGWSXRK-RHSMWYFYSA-N 310.397 2.709 0 50 DFAA O=C(CCc1cccnc1)N=c1cc(-c2ccc(F)cc2)[nH][nH]1 1875247379 KYQSQYOMURARMC-UHFFFAOYSA-N 310.332 2.604 0 50 DFAA CCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(Cl)c2C)C1 225589420 KUIBCRJAYQHYST-GFCCVEGCSA-N 308.809 2.779 0 50 DFAA C[C@H](CNC(=O)NC[C@@H]1CC[C@@H](O)C1)c1ccc(F)cc1F 230246530 ZUSQGTBHHBGVOA-NQBHXWOUSA-N 312.360 2.529 0 50 DFAA Brc1cccc(OCCOCCn2ccnc2)c1 6414438 WOQGKOIAMNRFTQ-UHFFFAOYSA-N 311.179 2.741 0 50 DFAA C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCn2ccnc21 931523936 KTZGJHLFXJUYGE-VIFPVBQESA-N 308.744 2.523 0 50 DFAA Cc1cccc2c1OC[C@H](NC(=O)c1ccnn1C1CCC1)C2 936058651 YDJUTTYMTPIZKP-CQSZACIVSA-N 311.385 2.650 0 50 DFAA NCc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2F)o1 1875277884 LSDVSYNSSHURCY-GFCCVEGCSA-N 320.339 2.864 0 50 DFAA O=C1CC[C@@H]2CN(C(=O)NCc3cccnc3)c3cccc1c32 1875265141 NMMVNWBDQRLWQX-CYBMUJFWSA-N 307.353 2.872 0 50 DFAA O=C(O)CC1CCN(C(=O)C[C@H]2CCCC(F)(F)C2)CC1 1875291546 DAQBXRJNJLOXBA-GFCCVEGCSA-N 303.349 2.915 0 50 DFAA C[C@@H](O)c1cnc(CNc2ccc([C@@H]3CCC(=O)N3)cc2)s1 1875284039 LLTLEHZTHDXHAI-MFKMUULPSA-N 317.414 2.760 0 50 DFAA C[C@H](CF)C(=O)NC[C@@H]1CCC[C@H](Cn2cc(C3CC3)nn2)C1 1875323181 AIACDDPRNJRXPR-MCIONIFRSA-N 322.428 2.684 0 50 DFAA O=C(O)C1(n2cc(C3CC3)cn2)CCC2(CCOCC2)CC1 1776003717 FOOJYTZWAQBYDC-UHFFFAOYSA-N 304.390 2.911 0 50 DFAA CC[C@]1(C)OC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@]1(C)O 52369 BNSFMCYBLDTSOZ-IRXDYDNUSA-N 323.389 2.576 0 50 DFAA CCc1nn(C)c(CC)c1NS(=O)(=O)c1cccc(C)c1 2325772308 VRRJTEPYHDBQBO-UHFFFAOYSA-N 307.419 2.654 0 50 DFAA Cc1[nH]c(=N)[nH]c(=NCc2cnc(-c3ccccc3)s2)c1C 2325859638 DWUBZWQBPCTWEG-UHFFFAOYSA-N 311.414 2.664 0 50 DFAA CN1CCN(Cc2cc3ccccc3c(O)n2)c2cnccc21 2325860854 XHYAAPOCMAAZBG-UHFFFAOYSA-N 306.369 2.792 0 50 DFAA CCC(CC)N(CCOC)C(=O)N[C@@H]1CCNCC(C)(C)C1 892497643 UIRCQPOEJXMLBC-CQSZACIVSA-N 313.486 2.611 0 50 DFAA CCOC(=O)C1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 318283 AMGFQFUAAJFBHI-AWEZNQCLSA-N 303.402 2.982 0 50 DFAA O=CNC(=O)c1sc2nccc3c2c1ncn3-c1ccccc1 333900 XVNWWGAXJNRWIZ-UHFFFAOYSA-N 322.349 2.521 0 50 DFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCCc1cscn1 2356146572 MAUWFIMEOUZVSA-UHFFFAOYSA-N 315.354 2.573 0 50 DFAA CCOC(=O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1nccs1 2858165 ISBBIWFOLQUSHR-VHSXEESVSA-N 314.794 2.794 0 50 DFAA CCOC(=O)CNC(=O)OCCOc1ccc2ccccc2c1 3086150 FYOPVHBMBARIDC-UHFFFAOYSA-N 317.341 2.508 0 50 DFAA CCCNC[C@@H](O)COc1ccc(C(C)=O)cc1COCCC 3130408 KFJRWDSGXLCBSG-QGZVFWFLSA-N 323.433 2.555 0 50 DFAA CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c(C=O)c2c1 3675999 GNZRABHTGWGYTF-UHFFFAOYSA-N 308.403 2.528 0 50 DFAA COc1cc(C(N)=O)cc(Br)c1OCC=C(C)C 6703627 GBAIHFQWSGBWPG-UHFFFAOYSA-N 314.179 2.902 0 50 DFAA CCCCS(=O)(=O)Nc1cc(OC)c(Cl)cc1OC 6741675 RJGOQJQRORDWNL-UHFFFAOYSA-N 307.799 2.899 0 50 DFAA CNC(=O)[C@H]1CCCC[C@@H]1Nc1nnc(-c2ccccc2)s1 225494666 MIXUXXKHJYVJBI-STQMWFEESA-N 316.430 2.922 0 50 DFAA O=C(NCc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 63926682 DZYZUOACHOCPFS-UHFFFAOYSA-N 314.360 2.592 0 50 DFAA CNC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3OC)cc2)C1 421371357 CMGWPVDXXXGSSN-QGZVFWFLSA-N 324.424 2.930 0 50 DFAA OCC[C@H]1CN(CCCc2ccccc2)CCN1C1CCCC1 20538379 SQOMZEIDNIUCNU-FQEVSTJZSA-N 316.489 2.930 0 50 DFAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@H]2C=CCN2)c1 63871547 GPPYQZKUOUJQFY-MRXNPFEDSA-N 321.380 2.714 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 229648515 UNTSFJDBXNEQLY-BPNCWPANSA-N 312.435 2.881 0 50 DFAA CCn1nc(CNC(=O)Cc2csc(C)n2)c2ccccc21 65403261 RTZWGWTUNOWZOM-UHFFFAOYSA-N 314.414 2.680 0 50 DFAA Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@](C)(O)C2CC2)s1 427244705 XPEBLBOBNPHPCY-MRXNPFEDSA-N 304.415 2.942 0 50 DFAA Cc1nc(-c2cccc(=O)[nH]2)n(-c2cccc(Cl)c2F)n1 67697280 UBHCOLHUALBUGG-UHFFFAOYSA-N 304.712 2.724 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NC2C[C@H](C)O[C@@H](C)C2)cn1 328636534 OBJDEWOBAPAEQO-VGWHQZGPSA-N 320.437 2.609 0 50 DFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cnnc(C)c1)[C@H]2C 332527198 SRYVKXXSOPSOSP-STQMWFEESA-N 311.385 2.942 0 50 DFAA CC[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2cnn(C)c2)CC(O)=N1 328906748 KZWCKJQZVQRKLY-YUELXQCFSA-N 318.421 2.619 0 50 DFAA Cc1cscc1NC(=O)C(=O)NC1CCC(OC(C)C)CC1 127814742 CAQNZZIWHWHJCI-UHFFFAOYSA-N 324.446 2.847 0 50 DFAA C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252584668 CBWDBXMNMLWSOI-YALNPMBYSA-N 308.466 2.571 0 50 DFAA Cn1ncc2c(NCCn3cccc3)nc(C3CCCC3)nc21 72144651 ITKXYNUCAUDISY-UHFFFAOYSA-N 310.405 2.935 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2c(C)noc2C)c1 331459650 AMDHDVHZEUXQEZ-PBHICJAKSA-N 302.374 2.608 0 50 DFAA O=S(=O)(Nc1cnccn1)c1ccc(Cl)c(Cl)c1 125992538 DRHCIHSNPSQCSJ-UHFFFAOYSA-N 304.158 2.584 0 50 DFAA COc1cc([C@@H](C)NCc2ccccn2)cc(OC)c1OC 127257868 JDMTZEAXMZINSF-GFCCVEGCSA-N 302.374 2.958 0 50 DFAA C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)c2ccccc2)C[C@H]1CO 253431416 HAZOWELRAVCAJP-ZBFHGGJFSA-N 317.429 2.763 0 50 DFAA C[C@H](Cc1cccc(O)c1)NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333761040 PEBAQPAHCMTGEC-YOQCSXPPSA-N 312.413 2.787 0 50 DFAA Cc1cc(C(=O)N(CCN(C)C)C2CCCC2)nn1C(C)C 448973435 BCQYHGHAVZXFFI-UHFFFAOYSA-N 306.454 2.719 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 238004201 DCNAXGMZMYXAKC-VZUFXWRPSA-N 305.349 2.942 0 50 DFAA Cn1cc(C[C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)cn1 369958636 HFLZYDZLDVYDIS-CYBMUJFWSA-N 308.385 2.606 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](N[C@@H]2CCSC2)C1 130213232 WKEAIDRPSZANEU-JHJVBQTASA-N 300.468 2.917 0 50 DFAA CC[C@H]1COCCN1C(=O)c1csc(Cc2ccccc2)n1 77455356 LELJWRLXUJUZLK-AWEZNQCLSA-N 316.426 2.985 0 50 DFAA COc1c(Cl)cc(Cl)cc1CN1CC[C@@H](N)[C@@H](OC)C1 71498934 ZYRNFUQYQIAAPK-OLZOCXBDSA-N 319.232 2.550 0 50 DFAA O=C(c1cccnc1N1CC(c2ccccn2)C1)N1CCCCC1 71416399 JPNLKGOAXZOYSW-UHFFFAOYSA-N 322.412 2.707 0 50 DFAA Cn1c([C@@H]2CCCN2C(=O)C2=CCOCC2)nc2ccccc21 375073266 DRFRDMMZAASBHE-INIZCTEOSA-N 311.385 2.584 0 50 DFAA CN(C(=O)CCc1ccoc1)C1CCN(CC(F)(F)F)CC1 456938179 PNHCAWHTHSKPDM-UHFFFAOYSA-N 318.339 2.697 0 50 DFAA CCc1cc(NCc2snnc2C(C)C)n2nccc2n1 72447291 ZFGRNZHQVLXDDO-UHFFFAOYSA-N 302.407 2.879 0 50 DFAA O=C(c1cc2c(s1)CCOC2)N1CCCC[C@@H]1c1cc[nH]n1 285992759 LXPKDBKTIFYCLL-CYBMUJFWSA-N 317.414 2.911 0 50 DFAA C[C@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)O 263534271 NVRIHIZFLMDGKI-WFASDCNBSA-N 313.353 2.683 0 50 DFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1cc(C(F)F)[nH]n1)C2 426571649 QZMBCUXFQBYSLJ-UHFFFAOYSA-N 321.331 2.591 0 50 DFAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1cn(C)nc1C1CC1 292114767 TXNNYTXXZUXIEI-BONVTDFDSA-N 312.373 2.941 0 50 DFAA Cc1ccc(CN2CCC[C@H](c3ccn(CCO)n3)C2)s1 426374113 CCQNAENDFYGJKK-AWEZNQCLSA-N 305.447 2.625 0 50 DFAA COCCn1ccnc1C1CCN(Cc2c(C)noc2C)CC1 91325445 MLUPGAGZKSUFHU-UHFFFAOYSA-N 318.421 2.514 0 50 DFAA CCn1nncc1C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 294431452 XIMRWNISBGMIJB-STQMWFEESA-N 311.389 2.539 0 50 DFAA Cc1c(C(=O)NC[C@@]2(O)CCCC2(C)C)[nH]c2c1C(=O)CCC2 294509180 SWXMHVNSEJSRMB-SFHVURJKSA-N 318.417 2.513 0 50 DFAA CCN(C)c1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)ncn1 243893539 ARTDFKJRSFLESH-CQSZACIVSA-N 310.401 2.528 0 50 DFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@H]1CC12CCNCC2 1506423568 XZIBSGLGKTWMCH-OAHLLOKOSA-N 324.428 2.724 0 50 DFAA O=C(C1Cc2ccccc2C1)N1CCC[C@H](c2ccncn2)C1 374979904 OUUVPJIBFYPEID-INIZCTEOSA-N 307.397 2.598 0 50 DFAA Cn1nc(C2CC2)cc1NC(=O)N[C@H]1COC2(CCCCC2)C1 299758834 QMHSQHWVOBJADZ-CYBMUJFWSA-N 318.421 2.911 0 50 DFAA Cc1cc(Cl)cc2c(=O)n(CC[C@@H]3CCCN3C)cnc12 584898631 UWCORQBIOJMIAI-ZDUSSCGKSA-N 305.809 2.843 0 50 DFAA C[C@H]1C[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)CCO1 630328023 DTQUBKFVGLWBNH-MMMKDXCPSA-N 303.358 2.628 0 50 DFAA C[C@H](NC(=O)NCc1ccc(Cl)cc1F)c1cnn(C)c1 275019428 PGCPBQIFIVRAOM-VIFPVBQESA-N 310.760 2.773 0 50 DFAA O=S1(=O)CC[C@@H](Nc2nc3ccc(Cl)cc3s2)C1 93429136 FNCNTSDKKGNZMY-MRVPVSSYSA-N 302.808 2.549 0 50 DFAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC=Cc2ccccc21 188404105 LWNVWJYPQSQINJ-UHFFFAOYSA-N 317.414 2.649 0 50 DFAA Cc1cc(C)cc(CCNC(=O)[C@@H]2CC(c3ccncc3)=NO2)c1 170611195 CPJZTQIGQJJAAT-SFHVURJKSA-N 323.396 2.550 0 50 DFAA COCc1nc([C@@H]2CCCCN2C(=O)C2C(C)(C)C2(C)C)n[nH]1 408200066 ZEWYRATUUBCNPK-NSHDSACASA-N 320.437 2.687 0 50 DFAA CC(C)(C)n1cc(C(=O)N2CCCc3cc(F)ccc32)nn1 188924144 UIACZVOREMLVRT-UHFFFAOYSA-N 302.353 2.765 0 50 DFAA O=C(C1CC1)N1CCCN(Cc2ccc(Cl)cc2F)CC1 189273822 HZVVHOQLDUZCCK-UHFFFAOYSA-N 310.800 2.923 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cn(C)c3ccccc23)C1 644117440 YWKDPBDAJNFFML-WBMJQRKESA-N 324.384 2.504 0 50 DFAA CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H]1C=C[C@H](CO)C1)CCC2 192966999 LSAXMUVZWSGMOW-MJBXVCDLSA-N 319.401 2.669 0 50 DFAA COc1c(CN2CC(F)(c3ccccc3F)C2)c(C)nn1C 656721154 IATWGQKDDSZKRS-UHFFFAOYSA-N 307.344 2.557 0 50 DFAA O=C(NCc1nccs1)c1csc(N2CCCCC2)n1 585120966 AMVDQAATYNLDQT-UHFFFAOYSA-N 308.432 2.520 0 50 DFAA C[C@@H]1CN(c2cncc(Sc3ccccn3)n2)C[C@@H](C)O1 1615627279 GQJBDKCODVHNRM-VXGBXAGGSA-N 302.403 2.636 0 50 DFAA O=S(=O)(NCCSc1ccccc1)c1ccc(F)cc1 2972764 IIEYQFKUNSPYMA-UHFFFAOYSA-N 311.403 2.896 0 50 DFAA O=C1CC(c2ccc(Cl)cc2Br)CC(=O)N1 126730279 WKLICGPKZHGTEC-UHFFFAOYSA-N 302.555 2.623 0 50 DFAA CN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 11715555 XSMQRAATNOSEAV-UHFFFAOYSA-N 314.263 2.974 0 50 DFAA CCN(C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 14969376 PCHZLYRJOBXIMT-LJQANCHMSA-N 318.461 2.615 0 50 DFAA CCN1CCC(NC(=O)c2ccccc2Br)CC1 16606054 KZAPXLKFXHZOCY-UHFFFAOYSA-N 311.223 2.663 0 50 DFAA Oc1cccc([C@@H](O)Cn2ccnc2-c2cccc3ccnn23)c1 1857719055 DCOPZDSLTCAHQA-KRWDZBQOSA-N 320.352 2.637 0 50 DFAA O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCCCC1)c1ccccc1 204580 VMTJGDBWKBKRKG-SJORKVTESA-N 322.474 2.762 0 50 DFAA O=C1C[C@@H](c2ccc(-c3nccc(C(F)(F)F)n3)cc2)CN1 1875247959 WMYQIUUCAZTXKF-LLVKDONJSA-N 307.275 2.766 0 50 DFAA COc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O 2561259 ZMFBGWWGXBNJAC-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA biogenic,in-vitro CCN1CC[C@H](N(CC)C(=O)c2coc(-c3ccccc3)n2)C1 617927860 DTGPNLDQVWNKST-HNNXBMFYSA-N 313.401 2.898 0 50 DFAA Cc1ccc(C)c([C@@H]2CN(C(=O)C3CCNCC3)[C@H](C)CO2)c1 237534786 GJRSARRCJWRNBP-QAPCUYQASA-N 316.445 2.591 0 50 DFAA C[C@@H](C(=O)NCc1nc(C(C)(C)C)n[nH]1)c1ccccc1F 458018452 HHYYLSPPHVIKFF-SNVBAGLBSA-N 304.369 2.661 0 50 DFAA C[C@H](NCC1(N(C)C)CCOCC1)C(F)(F)c1ccccc1 863984464 VPGQXDBMNYAHAR-AWEZNQCLSA-N 312.404 2.867 0 50 DFAA CCCNC(=O)c1cccc(CN[C@H](C)c2cc(OC)no2)c1 863983432 HVTHIXPJHICWEG-GFCCVEGCSA-N 317.389 2.674 0 50 DFAA CN1CC[C@@H](Cc2nc(-c3cccc(Br)c3)no2)C1 874435394 QYXQSHLPTFKZAI-JTQLQIEISA-N 322.206 2.993 0 50 DFAA CN(C(=O)c1cnn(-c2ccc(F)cc2)c1N)C1CCCC1 1875292728 QYBYXVLIRFFYDC-UHFFFAOYSA-N 302.353 2.608 0 50 DFAA COCc1cc(Cn2c(C(F)(F)F)nc3c2CCCC3)no1 1875280981 JPIRLOPGYDTHPR-UHFFFAOYSA-N 315.295 2.963 0 50 DFAA Cc1c(-c2ccccc2)nn(C)c1C(=O)NCc1cccnc1 1875342528 VNXMDTHMSRYJGN-UHFFFAOYSA-N 306.369 2.721 0 50 DFAA CCOc1cc(C)c(S(=O)(=O)NCc2ccncc2)cc1C 4744710 WKFNSFCHZIPKDZ-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA Cc1ccc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)o1 12462492 UJWDEILFYMKFEY-OVCLIPMQSA-N 310.378 2.975 0 50 DFAA Cc1ccc(C(N)=O)cc1C(=O)NCC[C@H]1CCc2ccccc21 2325792927 VYNBLORRPKXTKX-OAHLLOKOSA-N 322.408 2.944 0 50 DFAA O[C@H](CCN=c1nc(-c2ccccc2)nc[nH]1)C1CCCCC1 2325839694 BGKVKOBVPSMAHA-MRXNPFEDSA-N 312.417 2.704 0 50 DFAA Cc1ccc(F)c2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)O)cc12 864131849 DFXDAVJGERHEEO-ZDUSSCGKSA-N 304.321 2.599 0 50 DFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 57069 YWVQGUBCAUFBCP-INIZCTEOSA-N 311.337 2.835 0 50 DFAA COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CC[C@H](C)C2 87750 BTPPXHVFAFFOAJ-GXSJLCMTSA-N 323.414 2.777 0 50 DFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCCc1nccs1 2356143120 VVIARNGWRGJQRW-UHFFFAOYSA-N 315.354 2.573 0 50 DFAA CCCCc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1 2810484 QXPDFUMEZRYUQR-UHFFFAOYSA-N 320.433 2.899 0 50 DFAA Nc1nc(OCC(F)(F)F)cc(Oc2ccccc2F)n1 2865235 ZUWPMHPSAZFFSS-UHFFFAOYSA-N 303.215 2.931 0 50 DFAA O=C(NCc1ccccn1)C(=O)Nc1ccc(Cl)c(Cl)c1 2978697 XWOPAGLLWWFJLO-UHFFFAOYSA-N 324.167 2.643 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1c1cnn(C)c1 245847429 KARQVCNNCKLSCT-YOEHRIQHSA-N 324.428 2.535 0 50 DFAA O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)cc(O)c12 4282141 QKDCAOLYTJYXGE-UHFFFAOYSA-N 312.277 2.642 0 50 DFAA biogenic CCCCc1cc(=O)oc2cc(OCC(=O)N(C)C)ccc12 4818737 LKJFEGSIJIWQOY-UHFFFAOYSA-N 303.358 2.603 0 50 DFAA Cc1c(C(=O)Nc2nccs2)nnn1-c1cccc(Cl)c1 4938526 STLHOHXABSLRRY-UHFFFAOYSA-N 319.777 2.938 0 50 DFAA CN1CC[C@@H](NC(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 245922193 SVSLINGADLMBPZ-HZPDHXFCSA-N 315.804 2.910 0 50 DFAA O=C(NC[C@H](c1ccco1)N1CCCCC1)c1nccs1 225543859 CAGPMELHZSRVGG-GFCCVEGCSA-N 305.403 2.693 0 50 DFAA CCCOc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N[C@@H](CC)C1 346039690 PPCBUIXZXJNAHL-YPMHNXCESA-N 322.380 2.858 0 50 DFAA CC[C@@H](NCCc1ccc(O)cc1)C(=O)NC1CCCCC1 65528490 FOFCXCPHRBZRKD-QGZVFWFLSA-N 304.434 2.752 0 50 DFAA Cc1ccc(CCC(=O)N2CC[C@]3(CCCNC3)C2)cc1C 67641406 MAQMVVSFLDPEIU-IBGZPJMESA-N 300.446 2.838 0 50 DFAA CCCN1CC[C@H](CNC(=O)N[C@H]2CCOc3ccccc32)C1 249733119 BWAOXLKDYTZITL-ZBFHGGJFSA-N 317.433 2.541 0 50 DFAA Cn1ccc2c(C(=O)N[C@@H](C(=O)O)c3ccccc3)cccc21 170625752 YPIZAXIOTLYDIP-MRXNPFEDSA-N 308.337 2.734 0 50 DFAA biogenic c1cncc(CO[C@@H]2CCCN(Cc3ccc4nonc4c3)C2)c1 72156674 KLAHDPYKODFNLJ-MRXNPFEDSA-N 324.384 2.799 0 50 DFAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N3)c2ccc(C)c(C)c2n1 77385741 NVZFJELOUHDZDU-GASCZTMLSA-N 309.413 2.736 0 50 DFAA Cc1ocnc1-c1noc([C@@H]2CC(=O)Nc3cc(F)ccc32)n1 351019055 MVDJBSVUUYPLSK-SNVBAGLBSA-N 314.276 2.646 0 50 DFAA O=C(O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 2549590 SQFHLEXCEIEPJC-UHFFFAOYSA-N 313.073 2.626 0 50 DFAA CCO[C@@H]1C[C@H](N(C)Cc2ccc(OC)nn2)C12CCCC2 253392371 JAUYZYFIJGSRCY-LSDHHAIUSA-N 305.422 2.655 0 50 DFAA NCCc1cccc(CN2CCC[C@H](CN3CCCCC3)C2)c1 77506122 RCRWFUZMCRMXEU-HXUWFJFHSA-N 315.505 2.886 0 50 DFAA CN(C[C@@H]1CCc2nccn2C1)C(=O)c1cccc2cc[nH]c12 328624470 JYHZCFIKQVYGST-ZDUSSCGKSA-N 308.385 2.699 0 50 DFAA Cc1cccc(C)c1C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 283738195 XEYCEDVDVUJJEI-NVXWUHKLSA-N 317.429 2.601 0 50 DFAA CC(C)N(C)C(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 375615960 BVZNPXDWIUSQPL-AWEZNQCLSA-N 311.426 2.534 0 50 DFAA Nc1ncccc1CN1CCC[C@H](C(=O)Cc2ccccc2)C1 72480611 UKNFPVGQZAPQNA-INIZCTEOSA-N 309.413 2.688 0 50 DFAA COc1cccc(CN[C@@H](c2nccn2C)C2CCOCC2)c1 284841521 WUHFXYKIJXTBJD-QGZVFWFLSA-N 315.417 2.686 0 50 DFAA CC1CCN(CC(=O)N2CCC(Cc3cccnc3)CC2)CC1 378412005 OJZIMJXWWFSXNA-UHFFFAOYSA-N 315.461 2.595 0 50 DFAA CCc1nnc(CN(C)Cc2ccc(CCC(C)(C)O)cc2)o1 72480756 MNEYHCSLKZHZOX-UHFFFAOYSA-N 317.433 2.968 0 50 DFAA C[C@H](C(=O)NCc1ccc2sccc2c1)N1CCCC1=O 216284428 CTVMLRLHZMIRDL-LLVKDONJSA-N 302.399 2.528 0 50 DFAA CC(C)(C)C[C@H]1CCN(C(=O)NCc2ccc(O)nn2)C1(C)C 333980272 BHUYZXPTHGZNGZ-GFCCVEGCSA-N 320.437 2.929 0 50 DFAA CC(C)N(C(=O)c1cc2ccccc2nc1O)[C@H]1CCOC1 291378275 CALGKSXMPBTJGD-ZDUSSCGKSA-N 300.358 2.580 0 50 DFAA Cc1cnc(CNC(=O)c2ccc3cccc(Cl)c3n2)cn1 426597456 WGNBMCWXSQGIAA-UHFFFAOYSA-N 312.760 2.917 0 50 DFAA Fc1ccccc1OC1CN([C@@H]2CCOC3(CCOCC3)C2)C1 82109132 SYIFJBXBRDGWQY-CQSZACIVSA-N 321.392 2.617 0 50 DFAA CON1CCC(CC(=O)N[C@H](C)c2cccc(F)c2F)CC1 613169114 NKIXQRJUYQCWDV-LLVKDONJSA-N 312.360 2.806 0 50 DFAA Cn1cc(CCNC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cn1 46995091 IMXWEMYQLIJJCW-RHSMWYFYSA-N 304.438 2.573 0 50 DFAA COCc1cccc(C(=O)N2CC[C@H]2c2cccc(OC)c2)n1 97474898 YHRDQPCNHFBOPD-KRWDZBQOSA-N 312.369 2.824 0 50 DFAA c1ccc(-n2nc([C@H]3CCOC3)nc2-c2n[nH]c3c2CCC3)cc1 97436842 HXNWWCMISQUYSD-LBPRGKRZSA-N 321.384 2.650 0 50 DFAA C[C@H]1CN(Cc2cnn(CC(F)F)c2)c2ccccc2NC1=O 294802920 WBWULHAZIQHBJB-NSHDSACASA-N 320.343 2.743 0 50 DFAA CS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)cc1 95504706 MNTZVFLVVNJBPB-BETUJISGSA-N 320.414 2.520 0 50 DFAA C[C@H](Cc1cnccn1)N(C)Cc1ccc(Cn2cccn2)cc1 97730014 UXUXSJIRMSUGGE-MRXNPFEDSA-N 321.428 2.784 0 50 DFAA CCc1nc(CNC(=O)[C@H]2CCOc3ccccc3C2)cs1 97098811 ICWBKBUMXDEODR-ZDUSSCGKSA-N 316.426 2.963 0 50 DFAA C[C@H](Cc1ccccn1)N(C)CC(=O)NCC1CCCCC1 243892823 ALRVBJGJIXXUIV-OAHLLOKOSA-N 303.450 2.641 0 50 DFAA CC1CCC2(CC1)OC[C@@H](CNCc1cc(F)ncc1F)O2 295393492 LMXDKVSUKMJABT-RYCVTPFZSA-N 312.360 2.771 0 50 DFAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccc(Cl)c1 244900016 ZUMGGUXDNAYESL-IVMMDQJWSA-N 316.788 2.977 0 50 DFAA CCCc1cc(C(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)ccn1 244884405 YLUQNDZHVDDDDH-KOMQPUFPSA-N 313.405 2.539 0 50 DFAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCO[C@@H]2CCCC[C@H]21 244695648 JPVFHPPUYMIGSV-ZIAGYGMSSA-N 320.433 2.819 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)NCC[C@@H]2CCCOC2)c1 534632970 KSEQSBBBQNMINR-HNNXBMFYSA-N 305.422 2.657 0 50 DFAA CCCc1ccc(OCCNC(=O)N2CCCC[C@H]2CO)cc1 534640009 RDFXDHVDRVKGKV-INIZCTEOSA-N 320.433 2.574 0 50 DFAA Cc1ccc(CC(=O)N[C@@H](CC(C)C)c2ncnn2C)cc1C 534661419 ZZIQFXYYWSHKFM-INIZCTEOSA-N 314.433 2.878 0 50 DFAA c1cnc(-c2nc(CCN[C@@H]3CCCSC3)cs2)cn1 534636953 HCYYAKWBTHQPLK-LLVKDONJSA-N 306.460 2.628 0 50 DFAA CCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)CC 381917387 LZYZIYPOFBSJPM-HIFRSBDPSA-N 306.406 2.854 0 50 DFAA O=C(O)c1cc(-c2cccc3ncccc23)cc(-n2cnnn2)c1 299760443 HTWXAMJDDWILFY-UHFFFAOYSA-N 317.308 2.576 0 50 DFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)C2CC=CC2)n1 670450274 JURXARAIBFCEDQ-SNVBAGLBSA-N 315.339 2.929 0 50 DFAA Nc1ncc(C(=O)NCC2(c3ccccc3)CCCC2)s1 584895783 UIYPWNVQFUCORR-UHFFFAOYSA-N 301.415 2.967 0 50 DFAA COC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CCCCO1 1417577592 PALMVGOOBLVAKD-LBPRGKRZSA-N 311.765 2.943 0 50 DFAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)[C@H]1CCCO1 952968137 IKVITZCQQHKJOO-MRXNPFEDSA-N 311.385 2.953 0 50 DFAA Cc1nnc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)s1 185478452 GSSZIYAOBQKKKX-SNVBAGLBSA-N 319.411 2.525 0 50 DFAA CC1(C)CC[C@@H](CN2CCC(NC(=O)c3ccccc3)CC2)O1 186518616 JDEBUCKEJFJXRS-KRWDZBQOSA-N 316.445 2.838 0 50 DFAA COc1cc([C@@H](C)N2C(=O)[C@H]3CCCCN3C2=O)ccc1F 170068342 YSTBMCDFVQZKOW-ZWNOBZJWSA-N 306.337 2.712 0 50 DFAA FC(F)(F)CN1CC[C@H](Nc2noc(-c3ccccc3)n2)C1 302103688 MIGXBTXYSYOUDZ-NSHDSACASA-N 312.295 2.785 0 50 DFAA CC(C)=C[C@H]1[C@H](C(=O)NCc2nnc(S)n2C2CC2)C1(C)C 170623291 KZEMBYVXXHVOJO-WCQYABFASA-N 320.462 2.756 0 50 DFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C(C)(C)O)cc1 408474234 LNCHPNZMDGNXQR-SJORKVTESA-N 319.445 2.981 0 50 DFAA Cc1nc([C@H](NC[C@@H]2CCC=CO2)c2ccccc2F)no1 194457524 YROHSMHFGXGMMK-SWLSCSKDSA-N 303.337 2.889 0 50 DFAA C[C@@H](CC(=O)N1CCCCCC1)Nc1ccc2c(c1)C(=O)NC2 195552386 CHTFEGAIZHLHIS-ZDUSSCGKSA-N 315.417 2.523 0 50 DFAA C[C@@]1(CNCc2ccnn2-c2ccncc2)CCO[C@@H]1C1CC1 657438333 OZWKRNZSJZQJFX-MSOLQXFVSA-N 312.417 2.562 0 50 DFAA Cc1cccc(CC2CN(C(=O)Cc3cccc(C(=O)O)c3)C2)c1 659227415 CFVDUEFFBHNNHM-UHFFFAOYSA-N 323.392 2.937 0 50 DFAA CSc1cc(NS(=O)(=O)c2cc(C)c(C)s2)ncn1 585129574 ODLFSLHUVCBIAB-UHFFFAOYSA-N 315.445 2.678 0 50 DFAA CC[C@@H](Sc1ncc2c(n1)CC(C)(C)CC2=O)C(=O)OC 585118670 XZALTZYXCBUEGF-GFCCVEGCSA-N 308.403 2.675 0 50 DFAA O=C(Nc1ccn(CC(F)F)n1)[C@H]1CCCN1c1ccccc1 683745173 BEMRZZHCNCRCNS-CYBMUJFWSA-N 320.343 2.756 0 50 DFAA C[C@@H]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)[C@H](C(N)=O)C1 1616036188 PHXZGGIDDZONLJ-APPZFPTMSA-N 321.730 2.844 0 50 DFAA Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12 1052342 ZEKOVYNKVUBESF-UHFFFAOYSA-N 301.342 2.720 0 50 DFAA Cc1cnc(CN2CCCN(Cc3ccccc3F)CC2)cn1 1506417094 GMPILTQVSCVFRC-UHFFFAOYSA-N 314.408 2.632 0 50 DFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1cccc(Cl)c1 1704313670 MLTPAAICPLHUEC-UHFFFAOYSA-N 320.824 2.576 0 50 DFAA C[C@]1(O)CCOC2(CCN(C(=O)C3CCCCCC3)CC2)C1 1704315325 SCXFBKBZVFVEQD-KRWDZBQOSA-N 309.450 2.879 0 50 DFAA CCNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 12190321 TURYDSUYLGPZBV-UHFFFAOYSA-N 316.386 2.955 0 50 DFAA Cc1nc(C(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)cs1 12481352 KYFUGYQHADZTIC-CQSZACIVSA-N 320.389 2.674 0 50 DFAA Cc1noc(C)c1C(=O)NCCc1nc2ccccc2s1 14021111 KQYFGHQJMXHOSZ-UHFFFAOYSA-N 301.371 2.874 0 50 DFAA COc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc1 101128574 XQIFLVAOUNFAAK-MRXNPFEDSA-N 310.353 2.748 0 50 DFAA aggregator CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O 613849 MWYXGEINRWLDSG-UHFFFAOYSA-N 323.352 2.586 0 50 DFAA Cc1nn(C)cc1C(=O)NCC1(c2c(F)cccc2F)CCC1 412601044 LVHLSWQCGPLIPZ-UHFFFAOYSA-N 319.355 2.858 0 50 DFAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(Cc2cn3ccccc3n2)C1 339779729 UOACHDFLDZGHLX-IRXDYDNUSA-N 311.360 2.781 0 50 DFAA CC[C@@H]1CCCC[C@@H]1NCc1nn2c(=O)cc(C)nc2s1 163324050 GOWWOWQLEGUWDW-NEPJUHHUSA-N 306.435 2.518 0 50 DFAA CCCc1cc(C(=O)N2CCn3nc(C)nc3C2)sc1C 267101387 KXWQCIGSVJOWAL-UHFFFAOYSA-N 304.419 2.565 0 50 DFAA O=C(Nc1cncc(Cl)c1)N1CCC[C@@H](c2cc[nH]n2)C1 932114185 CJEBHGVZWZPWSG-SNVBAGLBSA-N 305.769 2.870 0 50 DFAA O=C(c1ccc(N2CCCCCC2)cc1)N1CC[C@@](F)(CO)C1 935865735 AGHZPPYAKVOHDY-SFHVURJKSA-N 320.408 2.614 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CCCc2n[nH]c(C)c21 1875274780 ZTNFLVKCCFAYAS-NSHDSACASA-N 316.430 2.882 0 50 DFAA C[C@](O)(c1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1)C(F)(F)F 1875381183 MQSNSXGIBCNKHR-IAMHBRQHSA-N 315.335 2.929 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(C4CC4)CC3)n[nH]c21 1875395274 VBSDOIMPLIWVJW-MNOVXSKESA-N 303.406 2.694 0 50 DFAA CO[C@]1(c2nnc(CCOc3ccc(C)c(C)c3)o2)CCOC1 886082198 JHIUHTXUWDRYNV-QGZVFWFLSA-N 318.373 2.570 0 50 DFAA COc1ccc(-c2nnc3n2CCOCC3)cc1C(F)(F)F 1776007578 MTRKMXCKUUHMBY-UHFFFAOYSA-N 313.279 2.545 0 50 DFAA OCCN1CCC(NCCc2cc(Cl)cc(Cl)c2)CC1 773755326 DQOIYYBYKUKJGU-UHFFFAOYSA-N 317.260 2.582 0 50 DFAA Cc1ccc(C)c(-n2ncc(C(=O)Nc3cnn(C)c3)c2C)c1 119192449 FITYXTOEVQLWTB-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA COc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12 105772 DFASHCMYEWWMEN-UHFFFAOYSA-N 323.348 2.774 0 50 DFAA biogenic COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(OC)c2)c1 210088 HQPTVCPPVCDTEH-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA CC(=O)OCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1 405193 RVCBIKBWDIMUDC-UHFFFAOYSA-N 309.321 2.593 0 50 DFAA O=C(NC(=S)Nc1ccc2c(c1)COC2=O)c1cccs1 462325 YEDBGBRNZHZKRU-UHFFFAOYSA-N 318.379 2.545 0 50 DFAA O=C(NCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 2846776 HWOMELVUDOPGQE-UHFFFAOYSA-N 306.724 2.734 0 50 DFAA COc1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1Cl 54363061 ADSNRSFBJAURPT-SNVBAGLBSA-N 303.811 2.912 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 57291723 KJCCQLLFLMQWNF-CQSZACIVSA-N 314.341 2.532 0 50 DFAA Cc1ccccc1C(=O)N[C@@H](C)C(=O)Nc1ccccc1F 20276173 ZLUVSURBUFNYQS-LBPRGKRZSA-N 300.333 2.891 0 50 DFAA CCCc1nnc(S)n1CC(=O)NC1CCC(C(C)C)CC1 119444066 OPQNHARONDLXFV-UHFFFAOYSA-N 324.494 2.850 0 50 DFAA Cn1ncc2ccc(-c3noc(C(=O)Nc4ccccc4)n3)cc21 350639841 YZHPDXBENAYEGT-UHFFFAOYSA-N 319.324 2.876 0 50 DFAA CNC(=O)[C@@H]1CCCCN1Cc1ccccc1OC(F)(F)F 179338394 WZYOJDDEOIKSFS-LBPRGKRZSA-N 316.323 2.686 0 50 DFAA C[C@H]1CN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CCN1 155249652 NPCBCGAEOVNJJY-NSHDSACASA-N 312.335 2.557 0 50 DFAA C[C@H](C1CCN(Cc2cccc(CCN)c2)CC1)N1CCCC1 72457481 DWTZBMCMKKCDRI-QGZVFWFLSA-N 315.505 2.884 0 50 DFAA O=C(O)c1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 238213355 NFMGZGPPWLSOOC-UHFFFAOYSA-N 321.336 2.882 0 50 DFAA Cc1cccc(NC(=O)CCNC(=O)C2=CCCCCC2)n1 130055265 HYZLPJRZRNFWBB-UHFFFAOYSA-N 301.390 2.725 0 50 DFAA CN(CCC1(O)CCCC1)Cc1cnc(-c2ccccn2)nc1 215807214 DTDPEBBZNOZNIE-UHFFFAOYSA-N 312.417 2.666 0 50 DFAA Cc1ccc(-c2ccnc(N[C@H](CO)c3cccnc3)n2)c(C)n1 71745293 DZUQPDXJRCMTQB-QGZVFWFLSA-N 321.384 2.696 0 50 DFAA Cc1cccc([C@@H](NC(=O)c2scnc2C)C(=O)O)c1C 262858977 AGEDOGAESVZKBH-GFCCVEGCSA-N 304.371 2.624 0 50 DFAA CON1CCC(N(C)Cc2cc(-c3ccccc3)on2)CC1 459595107 ZBOXUTGXVIYDET-UHFFFAOYSA-N 301.390 2.799 0 50 DFAA COc1c(C)cccc1C(=O)N1CCC2(CCNCC2)CC1 71721651 WFVUEJQEXGIHFH-UHFFFAOYSA-N 302.418 2.609 0 50 DFAA CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H](CCO)c1ccccc1 239367128 AHQLEXIJLLWYGR-HOTGVXAUSA-N 303.402 2.528 0 50 DFAA O=c1c2ccccc2nc(S)n1[C@@H]1[C@H]2CCO[C@H]2C12CCC2 240756947 HVQGCHSMDJJGAI-MRVWCRGKSA-N 314.410 2.815 0 50 DFAA CCSCn1c(-c2cccc(Br)c2)noc1=O 241383231 MTMVULYIMOJUEX-UHFFFAOYSA-N 315.192 2.976 0 50 DFAA CN1CC2(CCN(C/C=C/c3ccc(F)cc3)CC2)CC1=O 72458625 VFNNPLZQOONXDN-NSCUHMNNSA-N 302.393 2.783 0 50 DFAA c1coc(CN2CCc3n[nH]c(-c4ccc5c(c4)OCO5)c3C2)c1 42475823 RYLQRZAQYAXGAQ-UHFFFAOYSA-N 323.352 2.957 0 50 DFAA CN(CCN1CCOCC1)Cc1ccc(OC2CCCC2)cc1 223406114 DWHOAWZBZPULGW-UHFFFAOYSA-N 318.461 2.772 0 50 DFAA O=C(N[C@H]1CCOc2ccc(F)cc21)c1conc1C1CC1 290823795 OYDDQQPYGQIUJS-ZDUSSCGKSA-N 302.305 2.945 0 50 DFAA C(=C/c1nn2c(CN3CCCCC3)nnc2s1)\c1ccco1 40268485 XXLBBQSFQPSENC-VOTSOKGWSA-N 315.402 2.935 0 50 DFAA O=C(c1ccco1)N1CCN([C@@H]2CCc3ccc(F)cc32)CC1 177666828 AZUNJEWXUIUQAC-MRXNPFEDSA-N 314.360 2.864 0 50 DFAA COC[C@H]1CCCN(C(=O)c2ncnc3ccsc23)CC1 616150818 UWHJDJUQNHNFQW-NSHDSACASA-N 305.403 2.580 0 50 DFAA Cn1cncc1CNC(=O)N1CCC[C@@]1(C)Cc1ccccc1 292298576 LCXYHGHPMLKIPB-SFHVURJKSA-N 312.417 2.727 0 50 DFAA Cc1cc2nc(CCC(=O)NC[C@@H]3CCCOC3)[nH]c2cc1C 426477696 HGOXIXSEWHGWAN-AWEZNQCLSA-N 315.417 2.655 0 50 DFAA CCc1n[nH]c(C(=O)NCc2csc(CSC)n2)c1C 97679827 PFUKDRNVVWZSLR-UHFFFAOYSA-N 310.448 2.530 0 50 DFAA COc1ccc(-c2ccccc2S(N)(=O)=O)c2cccnc12 96131639 IWUOCNVLTZXURO-UHFFFAOYSA-N 314.366 2.558 0 50 DFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CC1CCCC1)C2 91620286 ACUATZGRTYWBOZ-AWEZNQCLSA-N 303.402 2.943 0 50 DFAA Cc1oc(-c2ccco2)nc1CC(=O)N1CC(c2ccccn2)C1 913376665 QERWRDDKPNHILG-UHFFFAOYSA-N 323.352 2.807 0 50 DFAA CN(C)[C@H](C(=O)NCCCc1ccco1)c1ccc(F)cc1 95382235 UPNBZKOUHSVGPG-INIZCTEOSA-N 304.365 2.770 0 50 DFAA CC(C)(C)n1nc(Cc2cccs2)nc1[C@H]1COCCO1 96152421 QJUPRYZVRVGUSA-GFCCVEGCSA-N 307.419 2.773 0 50 DFAA CCc1nccn1CCCNc1nccc(-c2cccnc2)n1 96180648 DDWDUWYBABPZOG-UHFFFAOYSA-N 308.389 2.800 0 50 DFAA O=C(NCCc1cccnc1)c1ccc([C@H]2CCCNC2)cc1 95359837 RJZXVWVEVUTRCG-SFHVURJKSA-N 309.413 2.521 0 50 DFAA CC[C@@H](NC(=O)CC1CCN(C(C)C)CC1)c1nc(C)c[nH]1 95499984 PGHMEHQHMRFWIV-OAHLLOKOSA-N 306.454 2.796 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@H]1[C@H]2CC[C@]2(C)C[C@@H](O)C[C@H]12 257357998 REVXZRCVOUBLKK-WYGHEOGCSA-N 306.446 2.930 0 50 DFAA COc1ccccc1-c1cccc(C(=O)N[C@@H]2CC[C@@H](N)C2)c1 252489285 JNPINKXNLVWZII-HZPDHXFCSA-N 310.397 2.972 0 50 DFAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccc2[nH]ncc2c1 299743966 QENIAHYYHSUHEE-DLBZAZTESA-N 322.368 2.608 0 50 DFAA CC(C)CC1(NC(=O)N(Cc2cocn2)Cc2cocn2)CC1 534576207 LPYFJBBKQVVARI-UHFFFAOYSA-N 318.377 2.953 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)Cc1ccsc1 617405082 CVPXJRSGFFQOIH-NSHDSACASA-N 305.447 2.778 0 50 DFAA O=C1C[C@@H](CN2CCC(c3cc[nH]n3)CC2)CN1c1ccccc1 299796765 PRUFLPZNMSOGON-HNNXBMFYSA-N 324.428 2.642 0 50 DFAA Cc1ccccc1COC1CN(C(=O)[C@@]2(C)CCCCO2)C1 299783850 YTKNMNNBEVMVGU-GOSISDBHSA-N 303.402 2.682 0 50 DFAA Cc1ccc([C@]2(C(=O)NCCN3CCCC3)CC2(C)C)cc1 299796865 PXDPSBUSJJTXOE-IBGZPJMESA-N 300.446 2.875 0 50 DFAA Cc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)nc(C)n1 825264396 ATMLBRWBINONQJ-LBPRGKRZSA-N 310.279 2.522 0 50 DFAA CC(C)(CN1CCCC1)CN1CCC(Cn2ccnc2)CC1 821260511 XWXIYQRCWFAJSG-UHFFFAOYSA-N 304.482 2.717 0 50 DFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCc2nocc2C1 584895646 QSAVBEFBAWDEPT-UHFFFAOYSA-N 300.362 2.644 0 50 DFAA O=C(NC[C@@H](c1ccccc1F)N1CCCC1)c1ccc[nH]1 584888575 WQFWGDXKSNPKQZ-INIZCTEOSA-N 301.365 2.721 0 50 DFAA Cc1ccc(C)c(-n2ncnc2CC[C@H](C)N2CCOCC2)c1 670468771 JWPBXLHIAXRCGV-INIZCTEOSA-N 314.433 2.537 0 50 DFAA N#Cc1c(N)nc2c(c1COCc1ccccc1)[C@@H]1CC[C@H](C2)N1 75991312 HVMLWBBWCZGORJ-CJNGLKHVSA-N 320.396 2.601 0 50 DFAA CC(C)c1ncc(Cl)c(-c2nc(-c3nccn3C)no2)n1 273994310 SOMBULSPPQWSEV-UHFFFAOYSA-N 304.741 2.704 0 50 DFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 278283305 IZDNXIDZGUDKGM-GDBMZVCRSA-N 318.417 2.575 0 50 DFAA Cc1cnccc1OC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 278285406 IZDNXIDZGUDKGM-HOCLYGCPSA-N 318.417 2.575 0 50 DFAA O=c1cc(C[S@@](=O)CCCC2CCCC2)nc2ccccn12 170610915 JJSKCNFXNXZCNI-QFIPXVFZSA-N 318.442 2.914 0 50 DFAA CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 407961287 CNXSYZOCOSPFGY-FVQBIDKESA-N 305.422 2.620 0 50 DFAA CCOC[C@H]1CCN(C(=O)c2scnc2C(F)(F)F)C1 408517731 NICPKJXMXJHFGM-QMMMGPOBSA-N 308.325 2.661 0 50 DFAA COc1ccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c(OC)c1 188675899 JHDBXXGTBZBNJR-WBMJQRKESA-N 321.417 2.885 0 50 DFAA O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 190357378 CHSFMNWQTSGWHX-OLZOCXBDSA-N 316.792 2.757 0 50 DFAA COC1(c2nnc(N(C)c3cccc(C)c3)n2C)CCOCC1 668899219 YPMOXADBMKCUHM-UHFFFAOYSA-N 316.405 2.544 0 50 DFAA CC[C@H](C)C(=O)NCCc1ccnc(NC(=O)[C@@H](C)CC)c1 585131433 VVGDYTMUNUTNKE-STQMWFEESA-N 305.422 2.771 0 50 DFAA COc1cccc2c(C(=O)NC3CCC4(CC3)C[C@H]4N)coc12 1615545031 CZVCTVAUWHZCHC-YSTGTXGZSA-N 314.385 2.831 0 50 DFAA C[C@@H]1CC[C@H](C(=O)O)[C@@H](C)N1Cc1nc(-c2ccsc2)no1 1615554263 DTRCTHNYXKVJNC-FOGDFJRCSA-N 321.402 2.872 0 50 DFAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cc(O)ccc1F 1772706577 FIEQYTDXHNXVEO-GFCCVEGCSA-N 314.238 2.960 0 50 DFAA COCc1nnc(N[C@@H]2CCC[C@H]2OCc2ccccc2)o1 1772707951 ZUBLWVKRHBLHLC-ZIAGYGMSSA-N 303.362 2.766 0 50 DFAA O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCCC1 12303650 QKXBIDIKRKKUEA-MRXNPFEDSA-N 318.392 2.623 0 50 DFAA CC(C)(C)C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 12864864 XGIXFGGEARBZOE-UHFFFAOYSA-N 314.429 2.860 0 50 DFAA c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19372198 BPPHIMQEZDYKRQ-UHFFFAOYSA-N 310.397 2.733 0 50 DFAA CN(C)C1CCN(c2cccc(Br)c2C=O)CC1 169725234 FXNMNMOTULQLLK-UHFFFAOYSA-N 311.223 2.792 0 50 DFAA Fc1cccc2ncc(-c3cccc(N4CCNCC4)n3)cc12 1857734098 DUKVQKWPDOGGQL-UHFFFAOYSA-N 308.360 2.846 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)CCOc1ccccc1 237981905 DEUQZYGHPLCMCM-CQSZACIVSA-N 305.374 2.701 0 50 DFAA CC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccc(F)cc1Cl)C2 247971533 YQDHSBCKSQICSD-DOMZBBRYSA-N 310.800 2.922 0 50 DFAA O=C(COc1ccccc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348266351 XWMMIRNFTPBMST-NVXWUHKLSA-N 315.344 2.539 0 50 DFAA C[C@@H](CC(=O)N[C@@H]1c2ccccc2CC[C@H]1C)N1CCCC1=O 585131964 KQZWYVCIHQFYJK-TYILLQQXSA-N 314.429 2.827 0 50 DFAA O=C(O)c1cccc(CN2CCC[C@@]3(C2)OCc2ccccc23)n1 902296177 GSRUEWPOKRMKBH-IBGZPJMESA-N 324.380 2.801 0 50 DFAA Fc1cnc(N2CCC(CN3CCc4ccccc43)CC2)cn1 853317110 OIFCMWAFWRUZPR-UHFFFAOYSA-N 312.392 2.895 0 50 DFAA Cc1ncoc1CNCc1ccc(OCC(F)(F)F)nc1 864088078 XDMFEIKVULRZSV-UHFFFAOYSA-N 301.268 2.609 0 50 DFAA O=S1(=O)CCC(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 130286214 GFQLKKSOGYZSSS-RYUDHWBXSA-N 313.385 2.522 0 50 DFAA Cc1ccc(N[C@@H](C)c2snnc2C)cc1N1CCNC1=O 1875285301 JJMSRADDPVLFAT-JTQLQIEISA-N 317.418 2.858 0 50 DFAA Cc1ncc(CNC(=O)c2ncnc3c(C)csc23)s1 1875308220 UYNDBEDBEHNRNX-UHFFFAOYSA-N 304.400 2.695 0 50 DFAA Cc1ccccc1C[C@@H](CO)CNCc1nn(C)c2ccccc12 2325707600 HTWHLYHRILROIA-MRXNPFEDSA-N 323.440 2.823 0 50 DFAA CCOc1cc(CN2CC[C@@H](C(=O)O)CC23CCC3)ccn1 2325787898 AJJXJSTYVVRSQS-CQSZACIVSA-N 304.390 2.700 0 50 DFAA Cc1ccc(NC(=O)c2ccnc(C3(N)CC3)n2)c2cccnc12 2325856095 ANQQNSYMUSPJDR-UHFFFAOYSA-N 319.368 2.533 0 50 DFAA CCO[C@H]1CCCN(c2cc(Cl)c3c(C)nn(C)c3n2)C1 891999186 XYCXRRPXXJKCQF-NSHDSACASA-N 308.813 2.935 0 50 DFAA Cc1ccn(-c2ccccc2CN[C@@H]2CCN3CCC[C@H]3C2)n1 245343898 WJIJBPIVNYPBCD-MSOLQXFVSA-N 310.445 2.897 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cccc3c1OCO3)CC2 245339164 QZCHUMWUBCIQSI-KBPBESRZSA-N 316.401 2.503 0 50 DFAA C[C@H](NS(=O)(=O)N[C@@H](C)c1ccccc1)c1ccccc1 56631 ZUMVQOILJDLACR-KBPBESRZSA-N 304.415 2.933 0 50 DFAA COc1cc([C@H]2SCC(=O)N2Cc2ccco2)ccc1O 182292 VBPCCGJPVLHGDG-OAHLLOKOSA-N 305.355 2.768 0 50 DFAA CCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 456330 SGVHJFOABXRLMK-UHFFFAOYSA-N 317.370 2.755 0 50 DFAA COCCOC(=O)c1ccc(NC(=O)c2cccs2)cc1 1891363 TYMUPINMGMELEK-UHFFFAOYSA-N 305.355 2.804 0 50 DFAA O=C(Cc1ccccc1F)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356134501 POMARICCNIYVDP-GOSISDBHSA-N 313.376 2.598 0 50 DFAA c1cc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c2ccncc2c1 2356137826 BCFUKHFRLMOGRN-UYAOXDASSA-N 323.440 2.530 0 50 DFAA Cc1nnc(NC(=O)CSc2nc3ccccc3o2)s1 2475434 DHJVIMXCOBWIJZ-UHFFFAOYSA-N 306.372 2.719 0 50 DFAA COc1ccc(C[C@@H](N)c2ccc(OC)c(OC)c2)cc1OC 4027825 FOCRDATZPOZOFJ-CQSZACIVSA-N 317.385 2.964 0 50 DFAA biogenic Clc1ccccc1-c1nn2c(-c3cnccn3)nnc2s1 4785133 MFYBBCMDGUAVBT-UHFFFAOYSA-N 314.761 2.963 0 50 DFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)no2)cc1 21719646 ARPXFDKDSBHHGE-AWEZNQCLSA-N 322.386 2.517 0 50 DFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccnc1 248027978 KDUUSYWJAABZSP-ULQDDVLXSA-N 324.428 2.899 0 50 DFAA Cn1cncc1[C@H]1C[C@H](NC(=O)Nc2ccsc2)CCO1 331417278 CGOIYAXBTDINBY-ZWNOBZJWSA-N 306.391 2.523 0 50 DFAA CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1(CO)CC1 252492001 MAVOVVGLFHENSM-LBPRGKRZSA-N 315.335 2.915 0 50 DFAA FC(F)(F)c1nnc2ccc(NCCc3cccs3)nn12 32073384 OSNNSARXYRMMSR-UHFFFAOYSA-N 313.308 2.859 0 50 DFAA OCc1ccc(-c2nccn2Cc2noc(-c3ccccc3)n2)o1 71575898 CKWJNYVODVHULJ-UHFFFAOYSA-N 322.324 2.734 0 50 DFAA CC(C)c1nc(CCNC(=O)c2ccn3ccnc3c2)cs1 152911570 WAOFBBWOJFWLFN-UHFFFAOYSA-N 314.414 2.887 0 50 DFAA Cc1cnc2c(c1)N(C(=O)CCc1ccc(F)cc1)CCO2 126982135 MGMNHYSXADYWAM-UHFFFAOYSA-N 300.333 2.887 0 50 DFAA O=C(C=C1CCC1)N1CCC[C@H](Cc2nnc3ccccn23)C1 364078767 IUABUOKCDBJOOP-OAHLLOKOSA-N 310.401 2.621 0 50 DFAA O=C([C@H]1C[C@@]12CCNC2)N1CCC(Cc2ccc(F)cc2)CC1 444115954 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DFAA CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H](c2ccccc2C(=O)O)C1 2325777782 CZQPRNKBIOIHPT-JXFSHQFZSA-N 317.385 2.562 0 50 DFAA CCCC1(N)CCN(C(=O)c2cccc3c2OCCCO3)CC1 2325778675 JHSFICCKQFZAAH-UHFFFAOYSA-N 318.417 2.582 0 50 DFAA CCn1ncc2c1CC[C@@H](NCc1ccn(-c3ccccc3)n1)C2 2325788485 JAHOCICEIANOTL-MRXNPFEDSA-N 321.428 2.736 0 50 DFAA O=C(c1ccc(-c2cnc[nH]2)cc1)N1CC[C@H](c2ccon2)C1 2325822656 HGRQMANNTUQFSN-AWEZNQCLSA-N 308.341 2.694 0 50 DFAA O=C(O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 59648 FQSUQGVITRNPDB-UHFFFAOYSA-N 309.277 2.744 0 50 DFAA biogenic O=C(Cc1ccc(F)cc1)Nc1nnc(C(F)(F)F)s1 74185 BIWATHMFWOLJJU-UHFFFAOYSA-N 305.256 2.877 0 50 DFAA COC(=O)c1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 2814438 LVAWXKZAAWDXBY-UHFFFAOYSA-N 322.320 2.776 0 50 DFAA biogenic CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc(C)c1 4904455 CFLCAZDMNZIBEP-UHFFFAOYSA-N 314.794 2.789 0 50 DFAA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 10332428 ZDLTZBVYNPXEHI-UHFFFAOYSA-N 324.789 2.964 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)NCc2cccs2)c1 8132942 CALCKFIZLSIYKL-UHFFFAOYSA-N 311.428 2.798 0 50 DFAA c1cncc(NCCCNC[C@@H]2CCCN3CCCC[C@H]23)c1 55153257 MARWNKYJWBYGOO-FUHWJXTLSA-N 302.466 2.738 0 50 DFAA CCC[C@]1(CO)CCN(Cc2csc(-c3ncccn3)n2)C1 344171065 PBPJRDQWTWGDRS-INIZCTEOSA-N 318.446 2.585 0 50 DFAA Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 248011139 LGTONLNAIJMEJW-YHUYYLMFSA-N 301.434 2.637 0 50 DFAA O=C(c1scc2c1OCCO2)N1CCC[C@H]1c1ccccn1 67872885 SYNKRIGATWMTSB-LBPRGKRZSA-N 316.382 2.892 0 50 DFAA Oc1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cn1 350795920 NYNXJRIRARUCEH-VIFPVBQESA-N 316.342 2.812 0 50 DFAA C[C@H]1C[C@H](NC[C@@H](O)c2cccc(OC(F)F)c2)C[C@@H](C)O1 252487131 SDSYJDMKPQEAPI-NDPMZMCLSA-N 315.360 2.867 0 50 DFAA OCCN1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 71551747 PBTAYXCUUVPIBI-IBGZPJMESA-N 311.425 2.902 0 50 DFAA CN(C)C[C@@]1(O)CCCN(c2ccnc3cc(Cl)ccc23)C1 72473110 WNVIDKYARGQQMA-KRWDZBQOSA-N 319.836 2.781 0 50 DFAA O=C(NC[C@H]1CCCN(Cc2ccccn2)C1)c1cccs1 12435025 GZICJVIIPIUEBX-CQSZACIVSA-N 315.442 2.785 0 50 DFAA Cc1nccc(-c2ccccc2)c1C(=O)N(C)[C@H]1CCN(C)C1 216153445 IDTCFMBCXWVOAI-INIZCTEOSA-N 309.413 2.833 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)NC[C@@H]3C[C@H](F)CN3)c2c1 77378419 UZGCJIQTFPZPFE-KBPBESRZSA-N 315.392 2.535 0 50 DFAA CCc1cc(N[C@H](C)[C@@H](O)c2ccc(O)cc2)n2nccc2n1 72158392 TVGTZCMUGZDMLQ-PIGZYNQJSA-N 312.373 2.531 0 50 DFAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CCC(N)=O 77420936 RTYWCDATVPNQSY-UHFFFAOYSA-N 312.369 2.703 0 50 DFAA Cc1cc(F)ccc1NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 363305830 DQUIZFHHRHICEX-ZDUSSCGKSA-N 316.380 2.964 0 50 DFAA COCc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)nc(C(C)(C)C)n1 366573937 NCLUYPYAOLBEIC-UONOGXRCSA-N 319.449 2.783 0 50 DFAA Cn1cc(-c2ccccc2CNc2noc(C(C)(C)C)n2)cn1 366688710 OHIFXAVRJZCLFH-UHFFFAOYSA-N 311.389 3.380 0 50 DFAA CCCc1cnc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)s1 333567292 XIYIZKZJHDYOLE-WUHRBBMRSA-N 305.403 2.513 0 50 DFAA CC(C)n1c(CN2CCC[C@@](F)(CO)C2)nc2ccccc21 377692410 FOTQUFRGONUUJU-KRWDZBQOSA-N 305.397 2.914 0 50 DFAA CN1C(=O)CCc2cc(C(=O)NC[C@@H]3CCCC3(F)F)ccc21 452805413 JBGPPVKXAYOJOJ-ZDUSSCGKSA-N 322.355 2.761 0 50 DFAA COc1cc2c(cc1OC)CCN(C(=O)N1CC[C@H](C)C1)CC2 336902703 CHRNEVQNHXYGAP-ZDUSSCGKSA-N 318.417 2.566 0 50 DFAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc(=O)[nH]c2)c1 77286573 NSYCXAZJJUMIMR-MRXNPFEDSA-N 312.369 2.751 0 50 DFAA COC[C@@H]1CN(C(=O)c2ccccc2OC(C)C)CC(C)(C)O1 285641542 XAXJYHGHBXUWGW-AWEZNQCLSA-N 321.417 2.740 0 50 DFAA O=C(N[C@H](C(=O)O)[C@H]1CCCOC1)c1ccc(C2CCC2)cc1 263312467 XWCNNHMWOUBXTK-HOTGVXAUSA-N 317.385 2.564 0 50 DFAA O=C(NCCNc1cccnc1)c1conc1-c1ccccc1 426589883 ANTOSGATCPZEFS-UHFFFAOYSA-N 308.341 2.579 0 50 DFAA CC[C@@H](NC(=O)c1cc(C(C)C)nn1CC)c1ccnn1C 91745438 YBMXEJQAIXMVGH-GFCCVEGCSA-N 303.410 2.641 0 50 DFAA Cc1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)n(C)n1 98127563 JUGMTFUEHDNPIF-UHFFFAOYSA-N 321.808 2.923 0 50 DFAA CCc1cccc(OC2CN(C(=O)c3csc(NC)n3)C2)c1 95366577 HIPDZMIWBWHURI-UHFFFAOYSA-N 317.414 2.651 0 50 DFAA Cc1ncsc1CCCNC(=O)[C@H]1COc2ccccc2C1 95519825 XSKISSVZGXVKCF-CQSZACIVSA-N 316.426 2.752 0 50 DFAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCc2ccccc2C1 97679905 NRICWPAKOVBDQB-IBGZPJMESA-N 321.424 2.803 0 50 DFAA CSc1ccc(N2C(O)=NS(=O)(=O)c3cccnc32)cc1 96511561 CUHPLPKJFKDDPU-UHFFFAOYSA-N 321.383 2.558 0 50 DFAA Cc1cc(C(=O)N[C@@H](C)c2nc[nH]n2)c(C)cc1Br 179414094 HERSXLGVSLHAQY-VIFPVBQESA-N 323.194 2.675 0 50 DFAA CCN(Cc1cnn(C)c1)Cc1ccc(OC)c(C)c1OC 97402323 HOPGEWWORUBWOD-UHFFFAOYSA-N 303.406 2.768 0 50 DFAA COc1cccc(OC)c1[C@@H](C(=O)O)N(C)Cc1ccco1 95378613 SCCLCHQCQDWLBX-HNNXBMFYSA-N 305.330 2.555 0 50 DFAA O=C(NCCCn1ccnc1)[C@@H](Cc1ccccc1)n1cccc1 253414305 XAQWPKIHEFWJLL-GOSISDBHSA-N 322.412 2.675 0 50 DFAA O=C([C@H]1CCCN1)N1CCC[C@@H](COc2ccccc2Cl)C1 182740072 UOIATKBDSZZDJD-UKRRQHHQSA-N 322.836 2.709 0 50 DFAA Cc1ncn(C)c1C(=O)NCC1(c2ccc(Cl)cc2)CC1 534578515 UJFLUHBFHLCLMN-UHFFFAOYSA-N 303.793 2.844 0 50 DFAA CCSCC(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1 299764549 IZRCNUQDBCJYTL-GFCCVEGCSA-N 319.430 2.811 0 50 DFAA CCN(CC)CC1(n2cnc3cc(Cl)ccc3c2=O)CC1 584894639 ZPDIHOCHQRTIDR-UHFFFAOYSA-N 305.809 2.881 0 50 DFAA Cc1ncc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]1 584901358 QEWZDPWIZBXKMC-UHFFFAOYSA-N 305.809 2.855 0 50 DFAA CC[C@H](NC(=O)c1nn(C)c(C)c1Cl)c1ccc(C)cn1 670473028 OECIEZCQJZTHDJ-NSHDSACASA-N 306.797 2.966 0 50 DFAA CC1CCN([C@H](C)CNC(=O)c2conc2C(F)(F)F)CC1 1412471889 NQYUDRMZLLCBTH-SNVBAGLBSA-N 319.327 2.544 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)O)C2)C1 685944100 LIGPAFHWOYFJNV-XIRUVYRFSA-N 301.408 2.640 0 50 DFAA C[C@H]1C(=O)N(Cc2noc(C(C)(C)C)n2)C(=O)c2ccccc21 1459230779 RXNQVOUPMKOJOR-SNVBAGLBSA-N 313.357 2.653 0 50 DFAA COc1cc(F)c(CN2CC[C@](O)(C3CC3)[C@@H](C)C2)cc1OC 1565510920 WMLRGCRWKDWSOD-KPZWWZAWSA-N 323.408 2.826 0 50 DFAA CNCC1CCN(C(=O)/C=C(\C)c2ccccc2OC)CC1 269150860 QHWBVMMVZINRDV-WYMLVPIESA-N 302.418 2.557 0 50 DFAA NC1(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCCCC1 170048012 QZBSFVIZEFIPAT-STQMWFEESA-N 308.372 2.846 0 50 DFAA Cc1cc(-n2c(C)cc(C(=O)/N=c3/sccn3C)c2C)no1 170618250 OSKJXLYTCRWMMM-FOCLMDBBSA-N 316.386 2.532 0 50 DFAA Cc1cc(C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)co1 186793909 HJODZJLPITTXOH-UHFFFAOYSA-N 318.417 2.889 0 50 DFAA C[C@H](C(=O)N1CCC(C)(C)C1)[C@H](C)C(=O)N1CCC(C)(C)C1 195579813 OWYRJPXIOSLHPY-KBPBESRZSA-N 308.466 2.776 0 50 DFAA CC(C)(O)C1CN(C(=O)c2cnccc2Oc2ccccc2)C1 669720986 SUYYOZUCBKKSLF-UHFFFAOYSA-N 312.369 2.717 0 50 DFAA c1ccc2c(c1)CC[C@@H](NCc1nc(-c3ccncc3)no1)CO2 585080250 RMOIHZIIAWJDOI-OAHLLOKOSA-N 322.368 2.615 0 50 DFAA O=C(CSC[C@H]1CCCCO1)Nc1cc2ccccc2nn1 585125514 WAOCSNVTNHBHQM-CYBMUJFWSA-N 317.414 2.871 0 50 DFAA Cc1cnccc1CCNCCC1CN(C(=O)OC(C)(C)C)C1 585117849 ZZBPLKNQNDVQFR-UHFFFAOYSA-N 319.449 2.779 0 50 DFAA Cc1nc([C@H](C)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)no1 585116337 RBHXVNSICMIPFA-ZMLRMANQSA-N 324.425 2.720 0 50 DFAA Cn1ccc(C(=O)N(CCCO)[C@H]2CCCc3ccccc32)c1 1615058638 SLXPCWYMYUKBOB-SFHVURJKSA-N 312.413 2.927 0 50 DFAA CN=[S@](=O)(c1ccc(NC(=O)c2ccoc2C)cc1)N(C)C 1615613286 HTOWMKJYLDFOCE-JOCHJYFZSA-N 321.402 2.774 0 50 DFAA CC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3055489 RQALHBHAZNIXQL-LGMDPLHJSA-N 308.381 2.982 0 50 DFAA CCc1cc(N[C@H](CC(=O)O)c2ccccc2)nc(N(C)C)n1 1704307036 QZMZBAGNHHJATE-CQSZACIVSA-N 314.389 2.733 0 50 DFAA COc1ccc(Cl)cc1CN(C)C[C@@H]1CCC(=O)N(C)C1 1775982367 KYQBPCLQGSQSLI-LBPRGKRZSA-N 310.825 2.649 0 50 DFAA Cc1ccc(-c2cnn3c(N4CCOCC4)cc(C)nc23)cc1 5321463 IDUCPGXKTWVBIB-UHFFFAOYSA-N 308.385 2.850 0 50 DFAA Cc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)n1 12314785 DCOBMCQXMZIQTG-LJQANCHMSA-N 313.445 2.615 0 50 DFAA COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1O 19536696 NADHVKOEIFXTNN-UHFFFAOYSA-N 312.413 2.719 0 50 DFAA COc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 168180080 WSYPDCZGUZHFBG-BQJWYLBZSA-N 317.385 2.619 0 50 DFAA OC[C@@H]1C[C@H](F)CN1Cc1coc(-c2cccc(Cl)c2)n1 346380716 UYSKNICRCQDTRM-JSGCOSHPSA-N 310.756 2.900 0 50 DFAA Cn1ccnc1CNc1ccc(Cl)c(F)c1N1CCOCC1 252507703 WSDZMXMZNGPIPI-UHFFFAOYSA-N 324.787 2.661 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CCC[C@@H](C)[C@H]3CN)co2)cs1 156625164 URJJNQHRGNGTOM-QMTHXVAHSA-N 319.430 2.911 0 50 DFAA CCc1nc(O)c(C(=O)N(Cc2ccncc2)C2CC2)cc1C 930477030 XIWUQKYQNVSRSM-UHFFFAOYSA-N 311.385 2.858 0 50 DFAA COc1ccc(CCN2CCC(Cc3noc(C)n3)CC2)cc1 932247779 VUTOXDAWLMECMU-UHFFFAOYSA-N 315.417 2.884 0 50 DFAA COc1ccc(C2CCN(C(=O)[C@@H](C)CSC)CC2)cn1 863948050 XQZFTXOEMSDZBV-LBPRGKRZSA-N 308.447 2.795 0 50 DFAA CCc1oc2ccccc2c1C(=O)N1CC[C@H](c2n[nH]cc2N)C1 952851073 DJHGJYLZXCJMFU-NSHDSACASA-N 324.384 2.930 0 50 DFAA CC(C)c1ccccc1[C@H](C)NC(=O)[C@H]1CCN2CCOC[C@H]12 1875312237 JECKEQMRPMVNCC-JCGIZDLHSA-N 316.445 2.708 0 50 DFAA O=C(C1=C2CCN=C2NC=C1)N1CCc2sc(Cl)cc2C1 1875392415 RBXILEWKNLVVID-UHFFFAOYSA-N 319.817 2.502 0 50 DFAA O=C(CCc1ccccc1F)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21 1775993442 QWRFFMFWMDGFQD-ZOBUZTSGSA-N 305.393 2.910 0 50 DFAA COCCn1nc(C)nc1Cn1c(C(C)C)nc2ccccc21 2100482922 GKYPCASTUTUELC-UHFFFAOYSA-N 313.405 2.754 0 50 DFAA Cc1nccn1CCc1noc(-c2cc(O)nc(C(C)C)c2)n1 2325812740 DDCPZZZMCGECJY-UHFFFAOYSA-N 313.361 2.708 0 50 DFAA O=C(NC(=S)NCc1cccnc1)c1ccc(Cl)cc1 451294 DBJOGBLWMYELIC-UHFFFAOYSA-N 305.790 2.540 0 50 DFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1c1cnn(C)c1 245847424 KARQVCNNCKLSCT-PBHICJAKSA-N 324.428 2.535 0 50 DFAA Cc1ccccc1NS(=O)(=O)c1cc(C(N)=O)ccc1Cl 4742088 HZRRNXKVEXTHNK-UHFFFAOYSA-N 324.789 2.548 0 50 DFAA CNC(=O)Oc1ccc(Br)cc1Br 4800776 ARXOREGGABCLMA-UHFFFAOYSA-N 308.957 2.930 0 50 DFAA O=C(Cc1ccc2c(c1)OCO2)N(Cc1nccs1)C1CC1 6677276 ASRFFYFKNJIGLY-UHFFFAOYSA-N 316.382 2.606 0 50 DFAA Fc1ccccc1CCCN[C@@H](c1cccnc1)c1nnc[nH]1 225413409 UNSIWOSENXVLTN-INIZCTEOSA-N 311.364 2.651 0 50 DFAA COC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)c(C)c1 8907602 PYSLMNHYRRLLQW-UHFFFAOYSA-N 313.353 2.971 0 50 DFAA CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1 225852793 VUVYXNABTYDBHX-LBPRGKRZSA-N 319.405 2.593 0 50 DFAA CCn1ncnc1[C@@H](C)NCc1c[nH]nc1-c1ccc(F)cc1 55360028 HIJVNFQMIBWUHH-LLVKDONJSA-N 314.368 2.678 0 50 DFAA COc1ccc2[nH]nc(NC(=O)Cc3noc4ccccc34)c2c1 344749199 RUTDHOWJMWIVBY-UHFFFAOYSA-N 322.324 2.894 0 50 DFAA O=C(Cc1ccsc1)NCc1ccc2c(c1)OCCCO2 171318685 MTTPRPKALXXHLW-UHFFFAOYSA-N 303.383 2.768 0 50 DFAA CC(C)[C@@H](C(=O)Nc1ccncc1)N1Cc2ccccc2C1=O 20736065 XWPRFOVMWIPMPY-INIZCTEOSA-N 309.369 2.701 0 50 DFAA CC(C)n1ccc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)n1 356926854 QZWAEVBUMMIUBJ-NVXWUHKLSA-N 313.401 2.972 0 50 DFAA CC(=O)N1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 23634430 WVISUGWXWQSGIZ-UHFFFAOYSA-N 303.793 2.865 0 50 DFAA CC(C)NC(=O)NC[C@@H]1CCCN(C/C=C/c2ccco2)C1 67604759 FQIYEAXVSYYPQQ-SZTZYQKNSA-N 305.422 2.712 0 50 DFAA CC(=O)NCCc1cn(-c2ccc3c4c(cccc24)CC3)cn1 65406492 KDKDFPIMKMDEOK-UHFFFAOYSA-N 305.381 2.803 0 50 DFAA Cc1cccc(NC(=O)[C@H]2CCCN(C[C@H]3CCCCO3)C2)n1 249685230 MOKGANLULYTJQH-JKSUJKDBSA-N 317.433 2.610 0 50 DFAA CCNC(=O)Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 350591275 WLQAUJKWLVWCNS-UHFFFAOYSA-N 317.242 2.573 0 50 DFAA O=C(NC[C@H]1CCN(C/C=C/c2ccccc2)C1)c1ccc[nH]1 67742885 MQRVEQMNIWZLQP-ZGRWHYIRSA-N 309.413 2.780 0 50 DFAA CC(C)Oc1ccc(NS(=O)(=O)C[C@H]2CCCO2)c(F)c1 172367810 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CC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)O 6692949 DGIGGVANZFKXLS-KBPBESRZSA-N 321.373 2.666 0 50 DFAA O=C(Nc1ccccc1CN1CCOCC1)c1ccc(F)cc1 55816004 BVXVECBFOOAFDG-UHFFFAOYSA-N 314.360 2.910 0 50 DFAA O=C(Nc1ccncc1)C1CCN(C(=O)c2ccccc2)CC1 9266161 QQYHEZPCISSJEX-UHFFFAOYSA-N 309.369 2.573 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O 9909192 LXMUCWWIHPRMTR-JTQLQIEISA-N 318.760 2.845 0 50 DFAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN2CCC[C@@H]2C1 55072595 SGUPBJHLYZKRMZ-YMVOSSCXSA-N 302.462 2.900 0 50 DFAA CC[C@H](C)Oc1ccc(OCCCN2CCN(C)CC2)cc1 20639501 KMCNMYJQDNWRDQ-INIZCTEOSA-N 306.450 2.880 0 50 DFAA C[C@@H](CNC(=O)c1n[nH]c2ccccc12)N(C)c1ccccc1 60554543 AOKJWTRKVGUOQS-ZDUSSCGKSA-N 308.385 2.818 0 50 DFAA CCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 24706389 MIQBLEPMRIEBEM-GFCCVEGCSA-N 315.377 2.607 0 50 DFAA NC(=O)c1cc(NC(=O)COc2ccc(F)cc2)ccc1Cl 22064210 HKHMPPDLTGLDJJ-UHFFFAOYSA-N 322.723 2.596 0 50 DFAA Cc1nc(CC(=O)NC2CCN(c3ccccc3)CC2)cs1 20915223 XJPCBNFDXRVJFQ-UHFFFAOYSA-N 315.442 2.779 0 50 DFAA Cc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 22909945 QPKBMNPGEHFUHZ-LJQANCHMSA-N 302.462 2.806 0 50 DFAA CNC(=O)CC1CCN(Cc2c(C)cc(OC)c(C)c2C)CC1 67727507 GRIMNPXPZZUCNX-UHFFFAOYSA-N 318.461 2.969 0 50 DFAA CC1(C)CCC(CN[C@@H]2CCCN(c3nccnc3O)C2)CC1 328630148 JBNYBJJVOWOEGF-OAHLLOKOSA-N 318.465 2.957 0 50 DFAA COCCOC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 72150982 VZCRWSKOALDUGI-CYBMUJFWSA-N 317.345 2.657 0 50 DFAA O=C1NC[C@@]2(CCCN(c3nc4ccccc4s3)CC2)O1 72125660 KHJCIIWFHGIUCE-HNNXBMFYSA-N 303.387 2.765 0 50 DFAA O=C(c1ncccc1O)N1CCO[C@@H](CC2CCCCC2)C1 71707862 UYIMUXHLEJYTTJ-AWEZNQCLSA-N 304.390 2.599 0 50 DFAA COc1ccc2cc(CNS(=O)(=O)C3(C)CC3)ccc2c1 253419143 JSMFOTYUISOQCV-UHFFFAOYSA-N 305.399 2.820 0 50 DFAA COCCCNc1cc(-c2ccc(F)cc2)nc2ccnn12 72423124 IGXZVRRARWMOSJ-UHFFFAOYSA-N 300.337 2.984 0 50 DFAA Cc1nn(CCNC(=O)c2ccc(Cl)cn2)c(C)c1Cl 71415528 APLDRRBBSXLPAO-UHFFFAOYSA-N 313.188 2.632 0 50 DFAA Cc1cc(C2CCC2)nc(N2CC[C@]3(CCCN(C)C3=O)C2)n1 71748603 SERFBRDGHQPKGI-GOSISDBHSA-N 314.433 2.501 0 50 DFAA CN1CC2(CCN(CCCOCc3ccccc3)CC2)OC1=O 77564073 FLJFMMDLOBUYLE-UHFFFAOYSA-N 318.417 2.510 0 50 DFAA CC[C@H](CC(=O)N1C[C@H](OC)C[C@H]1C(=O)O)c1ccc(C)cc1 262180664 RYRKOUJDRNICKN-BMFZPTHFSA-N 319.401 2.579 0 50 DFAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]1c1ccccc1Br 241383160 MSXRNEQVZUVWTQ-AUZPSNTRSA-N 324.218 2.846 0 50 DFAA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1cnn(C)c1 72410049 ARDZCVVKFPPSBG-ZDUSSCGKSA-N 315.417 2.615 0 50 DFAA Cc1cc(N2CCCN(C(=O)CCC(F)(F)F)CC2)ccn1 82106447 MNUXMCQGUDQEJF-UHFFFAOYSA-N 315.339 2.771 0 50 DFAA C/C(=C\C(=O)N1CC[C@@H](CN)C1)c1ccccc1C(F)(F)F 178553822 QACWVVBKDYZGFM-OBIHZWKSSA-N 312.335 2.916 0 50 DFAA CCc1cc(C(=O)N2CC=C(c3ccnn3C)CC2)ccc1O 292003576 RMMUJXRWMQSUAW-UHFFFAOYSA-N 311.385 2.618 0 50 DFAA O=C(NCC1(O)CCCCC1)Nc1cccc(-c2cnc[nH]2)c1 97179377 UANAIIKTNFHCPD-UHFFFAOYSA-N 314.389 2.893 0 50 DFAA Cc1csc([C@@H](C)N(C)C(=O)c2cnc(C3CC3)nc2)n1 97711754 QRBFNSYDNQGYDZ-SNVBAGLBSA-N 302.403 2.952 0 50 DFAA CC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccn(C(C)(C)C)c1 95384876 HDHRFKZFUVUKPD-INIZCTEOSA-N 319.449 2.764 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCc3n[nH]c(C)n3)c2c1 95376402 YEDWACVFIADCJO-UHFFFAOYSA-N 323.400 2.559 0 50 DFAA O=C(CN1CCc2ccc(-c3ccccc3)cc2C1)N1CCC1 295696016 LYUCLIAUCVNQSG-UHFFFAOYSA-N 306.409 2.944 0 50 DFAA CCc1nn(C)cc1CNc1nc2cc(CCOC)ccc2o1 181869230 ONBWWNCZVLGPHM-UHFFFAOYSA-N 314.389 2.925 0 50 DFAA Cn1c(=O)c(CN2CCC[C@@H](c3cc[nH]n3)C2)cc2ccccc21 252488994 JDJCPMTYDIHDPY-OAHLLOKOSA-N 322.412 2.641 0 50 DFAA Cc1noc(CNC(=O)CC2(n3cccc3)CCCCC2)n1 253414882 YXRXSKCYVGZDTO-UHFFFAOYSA-N 302.378 2.545 0 50 DFAA O=C(NCC1CCN(C[C@@H]2CCCCO2)CC1)c1cccs1 828187413 WYYYUNSNYUTAQJ-HNNXBMFYSA-N 322.474 2.759 0 50 DFAA CC1(C)C[C@@H](CN2CCOc3ccc(CO)cc3C2)CCO1 670442317 KNGGQCKLXYIAAK-HNNXBMFYSA-N 305.418 2.579 0 50 DFAA CCOC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)CC1(F)F 95626815 KZWNIWBPQUOTFR-SNVBAGLBSA-N 307.337 2.832 0 50 DFAA in-vitro Cc1nccc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)n1 408522459 JLSLBYXNNFTCNJ-UHFFFAOYSA-N 320.400 2.954 0 50 DFAA O=C(CO)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 408514270 SJBHVDPHIYXRPY-SECBINFHSA-N 315.213 2.807 0 50 DFAA Cc1ccc(-c2nc(CCNC(=O)c3nn(C)cc3C)co2)cc1 411814301 GWUFRLZFQNTJKB-UHFFFAOYSA-N 324.384 2.664 0 50 DFAA Brc1csc(CN2CCOC[C@@]23CCOC3)c1 193709954 UWMIILVPXPWKEJ-LBPRGKRZSA-N 318.236 2.502 0 50 DFAA Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(-n2ccnc2)nc1 194728769 OJLIXCPDWLNBBI-JTQLQIEISA-N 311.345 2.614 0 50 DFAA C[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 656160460 ZDZOOTWTCUSNQT-UGFHNGPFSA-N 302.374 2.884 0 50 DFAA O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1CCC[C@@H](C(=O)O)C1 585089136 ARAFIJHMJCVMPB-QWHCGFSZSA-N 313.357 2.702 0 50 DFAA Cn1ccnc1NC(=O)c1ccc(N2CCCC2)c(Cl)c1 1506420443 HKIVLZNXLIFVEX-UHFFFAOYSA-N 304.781 2.926 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3c(C)cccc3C)C[C@H]2O)on1 1529099945 JBLIWYCUJFIJLT-CRAIPNDOSA-N 300.402 2.635 0 50 DFAA COc1ccccc1CN(C)C[C@@H]1CCC(=O)N(C(C)C)C1 1772809862 GJHALUDWCSQWKR-HNNXBMFYSA-N 304.434 2.774 0 50 DFAA c1cnc2n[nH]c(-c3nccn3Cc3cccn4nccc34)c2c1 1772811448 UFTGTQRKXGYYOP-UHFFFAOYSA-N 315.340 2.517 0 50 DFAA COc1cccc(OC)c1C(=O)NCCOc1ccc(C)cc1 5814568 YUGXTJVFIOCDKA-UHFFFAOYSA-N 315.369 2.821 0 50 DFAA CCOC(=O)C1(CCOC)CCN(CCc2ccccc2)CC1 12314159 CNEQJHVYXRUHIK-UHFFFAOYSA-N 319.445 2.911 0 50 DFAA C[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 12708702 GNMVFSIDVAYDRM-GFCCVEGCSA-N 318.808 2.994 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(C(C)=O)s1 1857677237 SNSHMZFRBMZKMU-OWRWGESLSA-N 321.398 2.809 0 50 DFAA Cc1ccc2ncccc2c1-c1nccn1CCN1CCOCC1 1857695061 RYBWQZOOMBIAFC-UHFFFAOYSA-N 322.412 2.739 0 50 DFAA c1cc(-c2nccn2C2CCN(C3CCOCC3)CC2)ccn1 1857718450 UQYUQBCCGATPHX-UHFFFAOYSA-N 312.417 2.761 0 50 DFAA CC[C@]1(C)COCCN1C(=O)c1cc(-c2ccccc2)no1 330637453 VRZDZFUEZWLXMP-QGZVFWFLSA-N 300.358 2.983 0 50 DFAA O=C(C[C@H]1COCCN1)NC1(c2cccc(Cl)c2)CCCC1 262573821 SRDSOSIVIYDUGG-HNNXBMFYSA-N 322.836 2.604 0 50 DFAA c1cc2c(cc1-c1noc([C@H]3C[C@@H]3C3CCNCC3)n1)OCO2 822722207 CIOXAHLVISMZFF-OLZOCXBDSA-N 313.357 2.568 0 50 DFAA O=C(O)Cc1cccc(NC(=O)Nc2ccnn2CC2CC2)c1 841839657 AQEKXIPUFBUAMM-UHFFFAOYSA-N 314.345 2.564 0 50 DFAA CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(-c2ccncc2)no1 952883872 YVYZGGWHMORUQH-GFCCVEGCSA-N 300.362 2.841 0 50 DFAA O=C(c1ccc(OC2CCC2)cc1)N1CC[C@](CF)(C(=O)O)C1 1875291610 FXVRTRGDBQOHHT-QGZVFWFLSA-N 321.348 2.504 0 50 DFAA c1ccc2c(c1)C[C@@H]1CCC[C@H](C2)[C@H]1NCc1nnc2n1CCC2 888095830 YQTKJRLDBBJATD-XEMDLRDOSA-N 322.456 2.898 0 50 DFAA O=C(c1ccccc1-n1cncn1)N1CCCc2ccccc2C1 2100545660 ZTXRIIZSGJHFKP-UHFFFAOYSA-N 318.380 2.856 0 50 DFAA Cc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5094753 DRZSTBQWYYZQMP-NEPJUHHUSA-N 305.330 2.523 0 50 DFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1 69535 QEVZJOOFVAMXKO-AWEZNQCLSA-N 303.745 2.766 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 175936 RPYPQUBMPHPHAQ-CQSZACIVSA-N 324.380 2.995 0 50 DFAA CCOc1cccc(C(=O)NC(=S)Nc2ncccc2C)c1 454840 CYAXYSLJZOJKSG-UHFFFAOYSA-N 315.398 2.916 0 50 DFAA CCCCn1nc(-c2cccnc2O)nc1[C@H]1CC[C@@H](N)CC1 2356143176 XNOHHMSWBXFULU-BETUJISGSA-N 315.421 2.831 0 50 DFAA O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCCCC1 2838362 JMVORJYMVXTRIF-UHFFFAOYSA-N 301.173 2.944 0 50 DFAA CCCOc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C 2869273 ZFKITOHWRNGKFE-UHFFFAOYSA-N 308.403 2.834 0 50 DFAA O=C(c1cccc2c1COC2)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356159978 XWUJVZIYVPTVLM-LJQANCHMSA-N 323.396 2.560 0 50 DFAA O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1F 4265881 LNDILHRRFMLWNB-UHFFFAOYSA-N 300.289 2.762 0 50 DFAA COc1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1 4855809 IJTXZVAUQBDRCX-UHFFFAOYSA-N 323.381 2.847 0 50 DFAA CC(C)c1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 4977903 LNZHAGCMIDLGSR-MRXNPFEDSA-N 300.402 2.928 0 50 DFAA CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341363 VHEIYZCRRAELIJ-LBPRGKRZSA-N 306.381 2.593 0 50 DFAA CN1CCC(c2cc(=O)[nH]c(CSc3ccccc3)n2)CC1 23250579 COVIWQPTHKQKIA-UHFFFAOYSA-N 315.442 2.871 0 50 DFAA O=C1CCC[C@H](Cc2nc(-c3cccc(Cl)c3F)no2)N1 350197194 GDCROMGQDADNHX-MRVPVSSYSA-N 309.728 2.740 0 50 DFAA COc1ccc(-c2c[nH]c([C@H]3CC(=O)N(C(C)C)C3)n2)c(F)c1 23214683 BXHNHFWNPTWWHN-NSHDSACASA-N 317.364 2.949 0 50 DFAA C[C@@H]1CCCN(C(=O)CCN(C)Cc2cccnc2Cl)C1 65375966 OQEDGLRQIAIIFU-CYBMUJFWSA-N 309.841 2.815 0 50 DFAA CN1c2ccccc2C(=O)c2ccc(Cl)cc2S1(=O)=O 21298811 RGOFXWXKWORKIP-UHFFFAOYSA-N 307.758 2.710 0 50 DFAA in-vitro O=C(c1cc[nH]c1)N1CCCN(Cc2ccc(F)cc2)CC1 68258854 QVNXZUHDFMIJMB-UHFFFAOYSA-N 301.365 2.502 0 50 DFAA COCCOc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)cc1 252510827 BZSVGXROUMZRJQ-PKOBYXMFSA-N 319.445 2.839 0 50 DFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(O)c(Cl)c1 77505664 VSIMNMHQNVVSNE-CYBMUJFWSA-N 324.808 2.519 0 50 DFAA Cc1cc(C)n(C[C@H](C)Nc2ccnc(C(=O)NC(C)C)c2)n1 72158813 SNSKCCDHXVMPIF-ZDUSSCGKSA-N 315.421 2.534 0 50 DFAA Cc1nc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)cs1 77339126 RTKWLDNORWQKBH-CQSZACIVSA-N 317.414 2.668 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2csc(C)n2)cn1 328628204 GZGITMPZDHHFMD-HIFRSBDPSA-N 319.434 2.618 0 50 DFAA CC(C)[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccn(C)n1 331930074 DTNPGYHFMHOHEX-CQSZACIVSA-N 319.430 2.586 0 50 DFAA COc1nc(C)c(C(=O)N[C@H](C)c2ccc(O)c(F)c2)s1 71751016 IHPYVNZMUDGNFQ-SSDOTTSWSA-N 310.350 2.796 0 50 DFAA CC(C)(CN1CCCC[C@@H]1c1ccccn1)N1CCOCC1 72138826 JCKQLDYGJBXZSS-QGZVFWFLSA-N 303.450 2.719 0 50 DFAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1cc(C(F)(F)F)ccn1 282359450 XGNTZWZQWFDWHM-JQWIXIFHSA-N 312.295 2.776 0 50 DFAA CCC[C@H]1C[C@H]1NC(=O)c1ccc(-c2nnc(S)o2)cc1 127509947 POWYAEJLOFXWNA-NWDGAFQWSA-N 303.387 2.944 0 50 DFAA COCCc1ccccc1NC(=O)NC1CCC(C(=O)O)CC1 261911756 QJCRWLIFWJZGJR-UHFFFAOYSA-N 320.389 2.640 0 50 DFAA Cn1c(S[C@H]2CCc3ccccc3C2)nnc1-c1cnccn1 127840517 QORUXTWJIOFDRX-AWEZNQCLSA-N 323.425 2.922 0 50 DFAA COc1ccc([C@@H](C)CC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 237173031 PETHZHPYRJQMOP-YVEFUNNKSA-N 305.374 2.512 0 50 DFAA Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1 237827653 BWGBAXQZHUACAC-MRXNPFEDSA-N 324.380 2.936 0 50 DFAA O=C(O)CCN(C(=O)/C=C/C1CCCCC1)C1CCOCC1 238060872 AEFNXQWRJFBMOS-VOTSOKGWSA-N 309.406 2.605 0 50 DFAA CCn1ncnc1CN1CCC(Cc2ccc(F)cc2)CC1 215274276 COJNPMRVVPERKD-UHFFFAOYSA-N 302.397 2.892 0 50 DFAA O=C(CCc1cn[nH]c1)N[C@@H]1COc2ccc3ccccc3c2C1 606444997 ZRFASVWNKRSZLQ-HNNXBMFYSA-N 321.380 2.615 0 50 DFAA CCCO[C@H]1CCCN(S(=O)(=O)c2ccsc2)CC1 285207533 OUVREZCBZDBNQS-LBPRGKRZSA-N 303.449 2.718 0 50 DFAA CCc1ccc([C@@H](COC)NC(=O)c2ccc3[nH]cnc3c2)o1 176583566 DFDFCKOPOYFVRB-OAHLLOKOSA-N 313.357 2.836 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)N2CCC(C(=O)O)CC2)s1 178178679 OQMCMRXYCAYEQF-UHFFFAOYSA-N 310.419 2.587 0 50 DFAA COc1cccc(-c2cn(CC(=O)c3ccccc3)c(=N)n2C)c1 334157625 VGIAVOOAQUHICE-UHFFFAOYSA-N 321.380 2.865 0 50 DFAA CC[C@]1(CO)CCCN(C(=O)C2CCN(C3CCCC3)CC2)C1 91548409 YWVOAXIMHVBXJN-IBGZPJMESA-N 322.493 2.652 0 50 DFAA COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)O)o2)c1 237302596 ZYIVGDDLHBBEOK-ZDUSSCGKSA-N 315.325 2.964 0 50 DFAA Cc1noc([C@@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)n1 95374764 UDTARIZMWYBIKL-HNNXBMFYSA-N 320.437 2.552 0 50 DFAA O=C([C@H]1CCCN(C2CCCC2)C1)N1CCc2ncccc2C1 95353172 LYLAPVUYOUNLKK-INIZCTEOSA-N 313.445 2.621 0 50 DFAA Cc1c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cnn1C(C)(C)C 180373197 DIVFVISDCHRHLO-ZDUSSCGKSA-N 321.421 2.664 0 50 DFAA Cc1cccc(OC2CN(C(=O)CC[C@@H]3CCCCN3C)C2)c1 95373736 NMWNZURBXMXOGW-INIZCTEOSA-N 316.445 2.849 0 50 DFAA COc1cccc([C@H]2CCN2C(=O)CC2CCN(C)CC2)c1 97743211 CEKQTVOHIDYTJK-QGZVFWFLSA-N 302.418 2.701 0 50 DFAA O[C@H](COc1ccccc1CN1CCCC1)CN1CCCCC1 95504470 VWVZCKPVXDYESS-SFHVURJKSA-N 318.461 2.508 0 50 DFAA COC(=O)C1=CCCCCCC(N2CCCC2)=C1C(=O)OC 254821010 QANCXAPGHUFWEG-UHFFFAOYSA-N 307.390 2.573 0 50 DFAA CCOC(=O)N1CC[C@@H](NC2(c3cc(F)ccc3F)CC2)C1 534636760 WKSFFXIUDCGJTF-GFCCVEGCSA-N 310.344 2.774 0 50 DFAA O=C(O)c1cnc(CN2CCC[C@@H](C3CCCCC3)C2)cn1 629363934 RJYWVTNVTHEXIO-CQSZACIVSA-N 303.406 2.967 0 50 DFAA Cc1noc([C@@H]2CCCCN2C(=O)Nc2ccc(F)nc2)n1 286962722 DPTODTBQDHLEEU-NSHDSACASA-N 305.313 2.671 0 50 DFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H]2c2ccccn2)n[nH]1 827933019 SOZFNNHNULZBOW-KRWDZBQOSA-N 321.384 2.788 0 50 DFAA O=c1c2cnccc2ncn1Cc1cc(-c2ccc(F)cc2)no1 584892683 CMRPJUYPBPTVKN-UHFFFAOYSA-N 322.299 2.634 0 50 DFAA CN1C[C@@H](NC2CCN(c3cccc(Cl)c3)CC2)CCC1=O 670465621 HXVAWGVECWIMQQ-HNNXBMFYSA-N 321.852 2.519 0 50 DFAA CN1CCCCC[C@H]1c1ncnn1-c1ccccc1C(=O)O 670464144 FCMMTBPTHZNBRM-AWEZNQCLSA-N 300.362 2.512 0 50 DFAA Cc1cc(C)n2ncc(CN3CCOc4ccccc4C3)c2n1 670473784 ZFTKORQDMNQGQY-UHFFFAOYSA-N 308.385 2.741 0 50 DFAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1C[C@H]2CC=CC[C@H]2C1 952982303 XCZCTALCYGRBHR-CEXWTWQISA-N 310.441 2.858 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCc3ccccc32)cn1 275209217 AIFQVPYBVBFEID-DOTOQJQBSA-N 311.385 2.570 0 50 DFAA CCn1cc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)cn1 275490872 JAJJWQXABTXMDR-KRWDZBQOSA-N 313.449 2.852 0 50 DFAA CN1CCN(Cc2ccc([S@](C)=O)cc2)c2ccccc21 170072158 YVNMHCLNXFNQKL-NRFANRHFSA-N 300.427 2.880 0 50 DFAA CC[C@@]1(C)CN(C(=O)N[C@@H]2CCOc3ccccc32)CCO1 170604070 UKNQANXCOVPVEC-PBHICJAKSA-N 304.390 2.721 0 50 DFAA Cc1ccc(-n2nc(NC(=O)N[C@H](C)C(F)F)cc2C)cc1 639918086 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COC(=O)c1ccc(COC(=O)c2ccc(OC)cc2)cc1 471492 RQIUKCQMKBKKAW-UHFFFAOYSA-N 300.310 2.839 0 50 DFAA O=C(/C=C/c1ccccc1)NCCOC(=O)NC1CCCCC1 6667633 KTZWPVYBMXMKKD-VAWYXSNFSA-N 316.401 2.875 0 50 DFAA O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1COc2ccccc2O1 9970575 GKPXCHFSXIVYRM-INIZCTEOSA-N 323.304 2.572 0 50 DFAA FC(F)(F)c1ccc(CN2CC[C@@H](NCc3ncc[nH]3)C2)cc1 114507993 LCRJZLJALNSDGB-CQSZACIVSA-N 324.350 2.793 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 246881699 IBUZEYMVPGQYLU-DLOVCJGASA-N 313.228 2.904 0 50 DFAA C[C@H]1CN(CC[C@@H](C)c2ccccc2)C[C@H]1N1CCOCC1 248826278 GIBJZWWXIXVLPL-ZIFCJYIRSA-N 302.462 2.833 0 50 DFAA Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccnc3)[nH]2)cc1 117799818 QLHKTJBTTZSYTH-GFCCVEGCSA-N 323.356 2.581 0 50 DFAA Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C 229535230 NGWBLGHPIORLBF-RCCFBDPRSA-N 322.408 2.750 0 50 DFAA CCNc1ccnc(N2CCN(C/C=C/c3ccccc3)CC2)n1 65394872 PIRWZIAGAWJSPT-RMKNXTFCSA-N 323.444 2.744 0 50 DFAA Cc1csc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n1 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2.644 0 50 DFAA C[C@H](CO)CN(Cc1ccccc1)C(=O)c1cnc2ccccn12 55182758 JORGOZNENZZCJY-HNNXBMFYSA-N 323.396 2.605 0 50 DFAA COC(=O)c1occc1Cn1c(=O)oc2cc(Cl)ccc21 119317657 CGMFSAXFCCHGSW-UHFFFAOYSA-N 307.689 2.676 0 50 DFAA COc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1 22241851 SYYGBOPMBSDPBO-UHFFFAOYSA-N 302.418 2.530 0 50 DFAA Cc1ncsc1C(=O)N1CCC(OCc2ccccn2)CC1 20912135 HTHJCWXURRYBOZ-UHFFFAOYSA-N 317.414 2.668 0 50 DFAA C[C@H](NC(=O)c1ccccc1)C(=O)Nc1c(F)cccc1F 20399083 HNGPSHTUAIMNQF-JTQLQIEISA-N 304.296 2.722 0 50 DFAA COc1cnc(C(F)(F)F)c(I)c1 114866733 HYPBHKBHPFYFOE-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA O=C(O)/C=C\C(=O)n1c(Cc2ccccc2)nc2ccccc21 29354815 HBUTXJFTQFQTPK-KHPPLWFESA-N 306.321 2.908 0 50 DFAA CCc1ncc2c(n1)CN(C(=O)c1[nH]cnc1-c1ccccc1)C2 67688930 RPOIRMOELBPKMV-UHFFFAOYSA-N 319.368 2.585 0 50 DFAA COc1ccccc1-n1nc(C)nc1[C@@H](O)Cc1ccccc1 65427586 QGXQCLYFFGVFLP-INIZCTEOSA-N 309.369 2.860 0 50 DFAA CN(CCOc1ccccc1)C(=O)c1ccc2cccnc2n1 67803654 ORWUXZHMIYPEEQ-UHFFFAOYSA-N 307.353 2.781 0 50 DFAA CCCN(CC(=O)N1CCCCC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252680228 XSAMKPNZIZKBET-USXIJHARSA-N 308.466 2.524 0 50 DFAA C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)c1cccs1 331536360 XCQHGHLAZBCGPK-OUCADQQQSA-N 319.430 2.622 0 50 DFAA COc1ccccc1CN1CCN(C2CCCC2)[C@H](CCO)C1 39466854 FAYSMRIAJFOPIT-GOSISDBHSA-N 318.461 2.506 0 50 DFAA Cc1nn(C)c(C(=O)NCCCN(C)c2ccccc2)c1Cl 216228309 OQKZPRKKFZDLTM-UHFFFAOYSA-N 320.824 2.638 0 50 DFAA O=C(c1ccc(NS(=O)(=O)C[C@H]2CCCO2)cc1)C1CCC1 330120919 GMWLDVPMXMOHBX-OAHLLOKOSA-N 323.414 2.590 0 50 DFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)COCC1CC1 241409022 NDYGYTZHRUEFPX-SJLPKXTDSA-N 314.429 2.556 0 50 DFAA CC(C)(C(=O)N[C@H]1CCc2ccccc2OC1)c1cccnc1 338055267 ZTQRNLNDOASLQK-INIZCTEOSA-N 310.397 2.869 0 50 DFAA CSc1ccc2c(c1)CCN(Cc1cnc(N(C)C)nc1)C2 215254576 JITVXLRIWCGNGB-UHFFFAOYSA-N 314.458 2.823 0 50 DFAA c1cc2c(c(-n3ccnc3-c3cc4n(n3)CCNC4)c1)CCCC2 72422108 OMMHRFWFGNJUQC-UHFFFAOYSA-N 319.412 2.718 0 50 DFAA CC(C)N(Cc1ccco1)c1nnc([C@@]2(C)CCCO2)n1C 453437644 XLAGYHFVRCRVOA-MRXNPFEDSA-N 304.394 2.849 0 50 DFAA CN(C)C(=O)CN(Cc1noc2c1CCCC2)c1ccccc1 174197612 ZPCGKFRIJGHTKU-UHFFFAOYSA-N 313.401 2.648 0 50 DFAA CSc1cc(C)ccc1CNC(=O)NCC1CCOCC1 176619482 KFFKVWLSWWCAFT-UHFFFAOYSA-N 308.447 2.943 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 177476228 PECMFOUOHLJRAT-OAHLLOKOSA-N 320.348 2.925 0 50 DFAA c1ccc(-c2nc(CNc3cc([C@H]4CCOC4)ncn3)co2)cc1 426544824 OAGRSLZWWDLNOV-AWEZNQCLSA-N 322.368 3.248 0 50 DFAA COc1ccccc1-n1cc(CNC(=O)CSC(C)C)cn1 426739105 UQDNPGMFMKOSOB-UHFFFAOYSA-N 319.430 2.639 0 50 DFAA Cc1ccc([C@@H](C(=O)NCCCc2ccccn2)N(C)C)cc1 95387624 KZMMQWFNNRCXIQ-SFHVURJKSA-N 311.429 2.742 0 50 DFAA Cc1cc(C)c2c(N(C)Cc3noc(C4CC4)n3)ncnc2n1 95370858 JICOBFKEWMDTLY-UHFFFAOYSA-N 310.361 2.538 0 50 DFAA O=C(O)C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccco1 95504743 MUOYTIHEXUUBQX-CYBMUJFWSA-N 317.316 2.783 0 50 DFAA C[C@@H](c1ccon1)N(C)C(=O)C1CCN(Cc2ccco2)CC1 95382469 NZFWHCDQWFUOHP-ZDUSSCGKSA-N 317.389 2.699 0 50 DFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccon2)C1 95381429 AHDOXQZXIWHGKZ-CYBMUJFWSA-N 302.378 2.691 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 237986129 UARQNRZKZSQWOP-CQSZACIVSA-N 314.385 2.956 0 50 DFAA O=C(O)Cc1ccc(COCc2ccc(CC(=O)O)cc2)cc1 575442763 XHTBGKWWMRINLH-UHFFFAOYSA-N 314.337 2.658 0 50 DFAA CC(=O)NCCc1nc(C)nn1-c1ccc(C(C)(C)C)cc1 820580709 YNZANESBBZXPQB-UHFFFAOYSA-N 300.406 2.552 0 50 DFAA Cc1nc(C(F)(F)F)ncc1CN(C)C[C@@H]1CCCN(C)C1 670447924 GGZMOKQETPHFIE-GFCCVEGCSA-N 316.371 2.577 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)COCc1ccccc1 952871739 CXGNYNGCVYTEMB-UHFFFAOYSA-N 315.417 2.634 0 50 DFAA O=C(Nc1nnc(CC(F)(F)F)s1)N[C@@H]1CC=CCC1 268950000 RUAKSWSFHDUCBN-SSDOTTSWSA-N 306.313 2.873 0 50 DFAA COc1ccccc1C1(CNC(=O)c2cnc(C)cn2)CCC1 185931688 DAIQPGVHEOERGS-UHFFFAOYSA-N 311.385 2.645 0 50 DFAA c1cn2c(CN3CCC[C@H]3c3nc4c([nH]3)CCCC4)cnc2cn1 275627677 SBSKPSOKOHYWSH-INIZCTEOSA-N 322.416 2.668 0 50 DFAA C[C@@H]1CN(C(=O)Cc2ccccc2Cl)C[C@]2(CCO[C@@H]2C)O1 279250389 HWDLWGGALPOLOM-XNJGSVPQSA-N 323.820 2.677 0 50 DFAA COCCN(C)c1ccc(CNc2ccc3c(c2)COC3)cn1 191539886 BNFROMBYQRMLGK-UHFFFAOYSA-N 313.401 2.807 0 50 DFAA COc1c(C)cc(S(=O)(=O)Nc2nc(C)cs2)cc1C 192892164 LPWODNPKGHKKMA-UHFFFAOYSA-N 312.416 2.878 0 50 DFAA CCOC[C@H](O)COc1c(C(C)=O)ccc(Cl)c1Cl 193827860 UMESDPFLLASFJF-VIFPVBQESA-N 307.173 2.972 0 50 DFAA Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C(=O)O)o2)cc1 195551755 ZUNCVIADACXKMC-LBPRGKRZSA-N 301.342 2.989 0 50 DFAA Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[C@H]3C2)N2CCCC2)o1 660531657 YBZGMNRDQRZHCS-PMPSAXMXSA-N 317.433 2.776 0 50 DFAA CC[C@H](NC(=O)c1ccc(-c2cnc[nH]2)cc1)[C@@H](O)C(C)C 585131159 NHQKDGHYZFQUKI-HOCLYGCPSA-N 301.390 2.602 0 50 DFAA O=C(O)CCN(CC1CC1)C(=O)c1cnc2ccsc2c1 683304677 QEHFESIFERAEMA-UHFFFAOYSA-N 304.371 2.623 0 50 DFAA O=C(C[C@@H]1CCNC1)N(Cc1ccccc1)CC(F)(F)F 89744027 FVKIIWXBEDPOHV-ZDUSSCGKSA-N 300.324 2.577 0 50 DFAA NS(=O)(=O)c1ccc(NCc2c(F)cccc2Cl)cc1 360393 OKONLEONCQQZHL-UHFFFAOYSA-N 314.769 2.739 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)CCc1ccccc1OC 1506402581 UBOHDGJPJYHJAF-UHFFFAOYSA-N 301.390 2.871 0 50 DFAA CC(C)N1CCC(NC(=O)COc2ccccc2Cl)CC1 12382508 XLVIESUCCUEKLC-UHFFFAOYSA-N 310.825 2.708 0 50 DFAA C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 408230552 CALZNLMXSZEAQG-HIFRSBDPSA-N 315.479 2.629 0 50 DFAA CC(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 408474876 WFVKJHGKSONPQL-HUUCEWRRSA-N 305.422 2.567 0 50 DFAA Cc1cc(O)nc(C(=O)N2CC(c3cccc(Cl)c3)C2)c1 412389764 SJSMYQBAKLLQIG-UHFFFAOYSA-N 302.761 2.989 0 50 DFAA O=C(c1ccc2c(n1)CCCC2)N1CC[C@H](Oc2ccccn2)C1 333054211 HKWQIFJZOHKNJE-HNNXBMFYSA-N 323.396 2.649 0 50 DFAA Cc1oc2ccccc2c1CN1CCS(=O)(=O)[C@@H](C)[C@@H]1C 129066574 FWXKULKLCINADJ-AAEUAGOBSA-N 307.415 2.749 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C 241644734 PSZJDLQGVPOBKT-GQGSAGHOSA-N 314.429 2.589 0 50 DFAA O=C(c1cc(F)c[nH]1)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 357470028 IGELFUHCRUFNBH-FZMZJTMJSA-N 322.767 2.655 0 50 DFAA CCOc1ccccc1CNC(=O)N1CCC[C@H](OC)CC1 370001054 VXHCZBLZHUKZBQ-HNNXBMFYSA-N 306.406 2.796 0 50 DFAA O=C(NC1(C(=O)O)CCSCC1)[C@@H]1CCCc2ccccc21 262123949 JCXUZVWJMGPKBI-CQSZACIVSA-N 319.426 2.573 0 50 DFAA CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H]1C(=O)O 263168195 FQBYBHLOSMGAMI-RYUDHWBXSA-N 311.765 2.573 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)Nc1ccc(CC(=O)O)c(F)c1 263217409 OJJGMBBKOKHEAN-UHFFFAOYSA-N 318.304 2.879 0 50 DFAA O=C(c1cccc(OC2CCCC2)c1)N1CCc2[nH]ncc2C1 264532215 DVRIBWOFKGSUGK-UHFFFAOYSA-N 311.385 2.930 0 50 DFAA CC(C)(C)OC(=O)N1CCn2c(nnc2C2CC2)CC1(C)C 865215065 IJBPNBXHOFQEAH-UHFFFAOYSA-N 306.410 2.727 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(CO)cn3)cc2)c1C 1875355880 DFKJVWOJTPTFCQ-UHFFFAOYSA-N 322.368 2.629 0 50 DFAA CC(C)C[C@H]1CCOCCN1C(=O)c1ccc2c(c1)ncn2C 1875308748 UWVZRWAOGIOAAF-OAHLLOKOSA-N 315.417 2.851 0 50 DFAA O=C(c1c[nH]cc1C1CC1)N1CCC(CO)(C(F)(F)F)CC1 885011951 LRAXCDZZPLSISQ-UHFFFAOYSA-N 316.323 2.669 0 50 DFAA CCn1cc(C(=O)N[C@@H]2COC(C)(C)C2)c(-c2ccccc2)n1 892683042 DQSPTSTZEINVRE-AWEZNQCLSA-N 313.401 2.867 0 50 DFAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc2ccn(C)c2n1 2100477099 FMJUOWOIJKQJML-CQSZACIVSA-N 301.390 2.605 0 50 DFAA Cc1cc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nc(N)n1 19656923 OICUUZGKHHVJMM-ZDUSSCGKSA-N 322.416 2.703 0 50 DFAA C[C@H]1Cc2cc(CCNCc3cccc4nonc34)ccc2O1 2325859402 XZOBVPZIPIHYCS-LBPRGKRZSA-N 309.369 2.879 0 50 DFAA CCN(CC)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 284141 DENARQGTRZLTCA-UHFFFAOYSA-N 322.364 2.969 0 50 DFAA CC(=O)c1cccc(NC(=S)NCCn2cc(Cl)cn2)c1 611044 MOQWNTRQCUTTTN-UHFFFAOYSA-N 322.821 2.726 0 50 DFAA Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 806821 BIBGPCMYDTXTBI-LBPRGKRZSA-N 313.332 2.521 0 50 DFAA CCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1 2269047 MOPXOUCQMKVGAY-UHFFFAOYSA-N 314.389 2.764 0 50 DFAA COc1ccc(CCNCc2ccc3c(c2)OCO3)cc1OC 2494945 AQDYRONVAVJAII-UHFFFAOYSA-N 315.369 2.765 0 50 DFAA biogenic Cc1nc(N2CCN(c3ccc(F)cn3)[C@H](C)C2)nc(C)c1C 2356153214 XEMGDTKUWIFVIZ-LLVKDONJSA-N 315.396 2.651 0 50 DFAA O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)cs1 3666016 ILXFOVSGQBAZGJ-UHFFFAOYSA-N 317.399 2.659 0 50 DFAA Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cccnc3)n2)c1 4998337 RJYVKSCLYGHLRO-GFCCVEGCSA-N 308.341 2.931 0 50 DFAA CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1O 6007690 SYOXLJAXKIWYNU-KAMYIIQDSA-N 310.378 2.997 0 50 DFAA O=C(CSc1nnc(-c2ccco2)o1)N[C@@H]1C[C@H]2CC[C@H]1C2 101480586 KWADHRWQUMUBSH-GARJFASQSA-N 319.386 2.727 0 50 DFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnccn3)[nH]c2c1 61234760 LXFYBODAMKNPET-HNNXBMFYSA-N 307.357 2.639 0 50 DFAA O=C([C@@H]1CCOC1)N(Cc1ccccc1)Cc1nccs1 63833444 BJBNFNJZXIYPMW-CQSZACIVSA-N 302.399 2.708 0 50 DFAA CCc1noc(C)c1C(=O)N1CC[C@@](O)(c2ccccc2C)C1 67473545 CZSUDRLHKZPKBI-SFHVURJKSA-N 314.385 2.588 0 50 DFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1cccc(C)c1O 63872224 OKSOKMGWIIYBSR-CYBMUJFWSA-N 303.358 2.707 0 50 DFAA Cc1cccnc1N1CCN(Cc2n[nH]c3ccccc23)CC1 20854973 KLDLEPKAQVZORV-UHFFFAOYSA-N 307.401 2.589 0 50 DFAA O=C(NC1CC1)c1ccc(-c2nc(-c3cncs3)no2)cc1 350929896 TUGHXYHMEMOVID-UHFFFAOYSA-N 312.354 2.752 0 50 DFAA N[C@H]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1 416800815 UPKFNVALDIWPMD-NSHDSACASA-N 302.205 2.626 0 50 DFAA NC(=O)C(CCN1CCCC1)(c1ccccc1)c1ccccc1 29479508 VXWAVUPGQYWEGT-UHFFFAOYSA-N 308.425 2.944 0 50 DFAA CC(=O)N(C)Cc1cc(C2=CCCN([C@H]3C=CCCC3)C2)no1 65405858 JTZJISZPXGKMLK-INIZCTEOSA-N 315.417 2.851 0 50 DFAA CC(C)(C)c1nnc(N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)s1 252477954 YMQASIMLPOXXKV-XQQFMLRXSA-N 306.479 2.756 0 50 DFAA O=C1c2ccccc2C(=O)N1CCc1nc(C2CCCC2)no1 171794786 GMXPPJKVEQQRPV-UHFFFAOYSA-N 311.341 2.566 0 50 DFAA O=C(Cn1c(S)nnc1-c1cccs1)NCCC1CCC1 122504301 CYOYIXJTPDJTPK-UHFFFAOYSA-N 322.459 2.602 0 50 DFAA Cc1cccn2c(CN(C)C[C@H]3CCc4nccn4C3)cnc12 328646126 SKAUJKCRFRDWGR-OAHLLOKOSA-N 309.417 2.534 0 50 DFAA CC(=O)N(C[C@@H]1CCCN1C[C@H](O)c1ccc(C)cc1)C1CC1 328623630 CABNXGGOCJTOCW-OALUTQOASA-N 316.445 2.504 0 50 DFAA O=C(c1ccnnc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 253416397 QGVPPHMKTOPZRD-HUUCEWRRSA-N 315.373 2.578 0 50 DFAA CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccnn1C 124939134 HBOVNKQKFBKLBW-CQSZACIVSA-N 304.369 2.948 0 50 DFAA Cc1cc(F)cc2[nH]c(C(=O)N3CC([C@H]4CCOC4)C3)cc12 366221599 FXRONBXVJRVXEA-NSHDSACASA-N 302.349 2.724 0 50 DFAA Cc1cccc([C@@H](NC(=O)c2csnc2C)C(=O)O)c1C 263121492 SFWCNHNOWJTLKK-CYBMUJFWSA-N 304.371 2.624 0 50 DFAA CC(=O)NCCNc1cc(-c2ccccc2)nc2c(C)c(C)nn12 72423641 UYZLQZZCVYLGBX-UHFFFAOYSA-N 323.400 2.561 0 50 DFAA CN1CCC[C@@H]1CCNc1nccc(CCC(F)(F)F)n1 71754447 FUQPSZKGIKCDQJ-GFCCVEGCSA-N 302.344 2.868 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2nc3ccccc3[nH]2)c1 337403545 LQHWHOAOAPINIP-KDOFPFPSSA-N 323.396 2.879 0 50 DFAA Cn1c(=O)c(CN2CC(c3cccnc3)C2)cc2ccccc21 72170304 BDICNRWOUHQDOI-UHFFFAOYSA-N 305.381 2.533 0 50 DFAA COc1ccc(Cl)cc1NC(=O)CN(C)C[C@@H]1CCC=CO1 241470686 NXALPCRYFHWWDS-ZDUSSCGKSA-N 324.808 2.912 0 50 DFAA CC[C@H](Cn1ccnc1)NC(=O)c1ccc(OC(F)F)cc1 219731228 CGZCBAIGQRRVPX-GFCCVEGCSA-N 309.316 2.693 0 50 DFAA O=C(NCCc1cnccn1)N1CCC[C@@H]1/C=C/c1ccccc1 378591073 IAGHYYRFHVYVFS-GFOMBABLSA-N 322.412 2.907 0 50 DFAA COCc1nc2ccc(NC(=O)COc3ccccc3)cc2[nH]1 44901674 ULKLFMYPQTYBMZ-UHFFFAOYSA-N 311.341 2.727 0 50 DFAA CC1=NO[C@](C)(C(=O)N(C)Cc2nc3ccccc3s2)C1 220517027 YOHVCUKXOMHKHC-HNNXBMFYSA-N 303.387 2.810 0 50 DFAA CC[C@@H](C)CNC(=O)N(C)Cc1cc(-c2cccnc2)no1 426419789 OUCCAMYNSCCHAN-GFCCVEGCSA-N 302.378 2.924 0 50 DFAA Cn1nccc1-c1ccc(-c2c(N3CCCC3)cnnc2O)cc1 426410741 RPNOYTHTMWLILV-UHFFFAOYSA-N 321.384 2.850 0 50 DFAA CNC[C@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 178999947 IJUPWVBXRJDARX-GFCCVEGCSA-N 318.442 2.900 0 50 DFAA N[C@@H]1CC[C@H](C(=O)NCc2cccc(C(F)(F)F)c2F)C1 97117745 ZVRSHCMSRXTAHP-WCBMZHEXSA-N 304.287 2.588 0 50 DFAA C1CCC(Cn2nc(C3CCOCC3)nc2[C@@H]2CCNC2)CC1 97475039 ABBDFXDPVQAEHP-MRXNPFEDSA-N 318.465 2.829 0 50 DFAA O=C(CN1CCC[C@H](c2ccccc2)C1)NCCc1ccncc1 95357566 VKWXKTQCOHWDIS-IBGZPJMESA-N 323.440 2.620 0 50 DFAA Fc1ccccc1-c1cc(-c2nc([C@H]3CCOC3)no2)[nH]n1 96180300 RZLAXICDORIUHG-VIFPVBQESA-N 300.293 2.770 0 50 DFAA CCCc1cc(C(=O)NCc2nc(C3CCCCC3)no2)[nH]n1 91643378 RMJSSNANQDDIRB-UHFFFAOYSA-N 317.393 2.723 0 50 DFAA COc1cccc([C@@H]2CCN2C(=O)CC2CCN(C)CC2)c1 97743212 CEKQTVOHIDYTJK-KRWDZBQOSA-N 302.418 2.701 0 50 DFAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1[C@H]3C4=C[C@H]5C=C[C@H]4[C@H]1[C@H]5[C@@H]23 247747487 QMPRSJAWTQVIDX-JFXWOBFUSA-N 315.372 2.656 0 50 DFAA CC1=NO[C@@](C)(C(=O)NCc2cc(-c3ccc(C)cc3)on2)C1 244646905 GRFQESARMDTSSI-QGZVFWFLSA-N 313.357 2.821 0 50 DFAA CC(C)Cc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)n[nH]1 252537196 KQHDSZGLKRRGSO-RHSMWYFYSA-N 318.465 2.603 0 50 DFAA O=C(Nc1cnns1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 297668939 FMJWVWRQCONFDG-NSHDSACASA-N 324.793 2.877 0 50 DFAA CC(C)C1=NO[C@H](C(=O)N(C)Cc2cccc(CN(C)C)c2)C1 584896374 NYECZBPBEYBZJW-KRWDZBQOSA-N 317.433 2.508 0 50 DFAA c1ccc2c(N3CCN(CC[C@@H]4CCOC4)CC3)nsc2c1 670467195 XZYGTUDBLGVULP-CQSZACIVSA-N 317.458 2.845 0 50 DFAA O=C(NCc1ccc(-c2ncon2)cc1)c1cc(C2CC2)no1 670456206 LXKADNTUTGWOMC-UHFFFAOYSA-N 310.313 2.532 0 50 DFAA COCC(=O)Nc1ccc(NC(=O)c2cccc(C)n2)cc1C 952983511 UECZFGIICDMIOS-UHFFFAOYSA-N 313.357 2.536 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]([C@H](C)N)C1 269288165 SZEOUXOALKKTTL-YDHLFZDLSA-N 308.397 2.569 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)N2CCC[C@H](C(=O)O)C2)s1 165499678 FVIVRNKEYDHXRA-NSHDSACASA-N 310.419 2.587 0 50 DFAA Cc1ccnc(OC2CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)c1 276822057 NLFYMTDWXZJANO-HOCLYGCPSA-N 318.417 2.575 0 50 DFAA OC[C@H](CNc1cc(Br)ccn1)Cc1ccccn1 170598892 NCJFCNSOHNAZBL-NSHDSACASA-N 322.206 2.502 0 50 DFAA Cc1ccc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1F 170592440 VKXWFBPKEGOOLZ-INIZCTEOSA-N 312.344 2.797 0 50 DFAA CC(C)N1CC(=O)N([C@@H](c2ccccc2)c2ccccn2)C1=O 170613698 CDYLHAWFNDUHLR-KRWDZBQOSA-N 309.369 2.844 0 50 DFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H](C)C[C@@H](CO)C1 408521826 MHXNDKODXXKJIK-GXTWGEPZSA-N 314.385 2.741 0 50 DFAA Cc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C)o1 408521937 AOCTZVZYTQRMSQ-ZNMIVQPWSA-N 306.406 2.837 0 50 DFAA Cc1ccc(NCc2ccc(=N)[nH]c2)c(OC[C@@H]2CCCO2)c1 647547998 QQKXIIAPMQYZFU-HNNXBMFYSA-N 313.401 2.972 0 50 DFAA O=C(NC1(c2nnc[nH]2)CCC1)c1cc2cc(F)ccc2s1 194287142 PSFQJDWRXZDDDE-UHFFFAOYSA-N 316.361 2.968 0 50 DFAA c1cc(-n2nccc2CN2CC[C@@H](C3CCOCC3)C2)ccn1 667682702 UFSSEXHKMBNJCS-MRXNPFEDSA-N 312.417 2.516 0 50 DFAA CCc1ccc(CN[C@@H]2CCOC3(CC(C(=O)O)C3)C2)cc1 1615003461 PFRAIUWOJISBJN-UPTPFMHGSA-N 303.402 2.751 0 50 DFAA O=C(NC[C@H](CC1CC1)C(=O)O)c1cncc2sccc12 1616043694 YWPMATDFRXWBRH-JTQLQIEISA-N 304.371 2.527 0 50 DFAA O=C([C@@H]1C[C@@H]2CC[C@H]1N2)N1CCC(c2cccc(F)c2)CC1 1646766946 UHWSUXAXBVOQDI-GVDBMIGSSA-N 302.393 2.672 0 50 DFAA CCc1nccn1C[C@@H](C)NCCc1nc2cccc(C)c2[nH]1 1506407127 MNEJEUIDRQYAFI-CQSZACIVSA-N 311.433 2.851 0 50 DFAA CO[C@H]1CN(c2cnc3ccccc3n2)C[C@H]1Cc1cc(C)no1 1704299606 RTOJHWCPANIZAF-DYVFJYSZSA-N 324.384 2.620 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)on1 1775979785 YUHRQEHYINXKGV-KRWDZBQOSA-N 314.389 2.641 0 50 DFAA C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 12383269 FUFGKFONLDMVQI-MFKMUULPSA-N 317.307 2.768 0 50 DFAA Cc1ccc(F)cc1NC(=O)CNC(=O)c1ccc(F)cc1 15592014 QXAMFXHHSDREFW-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1cccc(Cl)c1 169693233 OLXZZHLNFZGPRY-DDHJSBNISA-N 319.788 2.522 0 50 DFAA COC(=O)[C@@H]1CN(c2nc3cc(C(C)(C)C)ccc3o2)CCO1 1857668882 VZAWIAMTJPZYDX-AWEZNQCLSA-N 318.373 2.504 0 50 DFAA COc1ccc(CN(C)c2ncc3cn[nH]c3n2)c2cccnc12 1857673883 MTPBKNOOIGYWQK-UHFFFAOYSA-N 320.356 2.546 0 50 DFAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cccc(-n2cnnc2)c1 1857674431 HUUQSABQXMGKLZ-LXZKKBNFSA-N 310.401 2.823 0 50 DFAA COc1cc(-c2nccn2[C@@H]2CCCN(C)C2)cc2c1OCO2 1857680807 UYBFEUBZLLEPRH-CYBMUJFWSA-N 315.373 2.554 0 50 DFAA COC[C@H]1CCCN(C(=O)NCCc2cc(C)ccc2OC)C1 113583491 FHRVRZIBSUOQQW-HNNXBMFYSA-N 320.433 2.614 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc([C@H](O)C2CCOCC2)s1 720199880 ADUPSFSPDZJINC-LLVKDONJSA-N 314.407 2.950 0 50 DFAA CCCN(CC(=O)O)Cc1cc2c(cc1OCC)C[C@@H](C)O2 123220696 TWPGAKPPOVBUFF-GFCCVEGCSA-N 307.390 2.705 0 50 DFAA C[C@H]1CCN(C(=O)c2cc3nccnc3cc2F)[C@H](C(=N)O)C1 332530973 RKQABKJKIKRHGU-XPTSAGLGSA-N 316.336 2.545 0 50 DFAA Cc1[nH]c2c(C(=O)N3CCC[C@@H](C(=O)O)C3)cccc2c1C 237724122 MGZUPHZDOBDXNE-GFCCVEGCSA-N 300.358 2.722 0 50 DFAA CCOc1ccccc1C=c1sc2nc3ccccc3n2c1=O 254480117 SCYAWFWGXSNPTM-UHFFFAOYSA-N 322.389 2.856 0 50 DFAA Cc1cn2c(n1)CC[C@H](C(=O)N1CCC3(CCCCC3)C1)C2 1875293039 AICBTHNETDYFMO-HNNXBMFYSA-N 301.434 2.937 0 50 DFAA CCn1nc2c(c1C(=O)N1CC3(CCC3)C1)C[C@H](C)O[C@@H]2C 1875314437 XVHYSOACNBLOQN-NWDGAFQWSA-N 303.406 2.551 0 50 DFAA CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H]2C[C@H]3C[C@H]2C[C@@H]3N)c1 1875354264 SKUCGDCDAHIBPK-DNDFJUTLSA-N 316.445 2.819 0 50 DFAA NCC1(c2ccc(C(=O)NC3(CC4CCC4)CC3)cn2)CCC1 1875326447 BZNYJDKAJKZASC-UHFFFAOYSA-N 313.445 2.915 0 50 DFAA O=C(OCc1ccnc(O)c1)[C@@H]1SCCc2sccc21 1771880758 FEGJGSCGHKCHQZ-CYBMUJFWSA-N 307.396 2.923 0 50 DFAA Cn1c(CN(CCCO)Cc2cccnc2)cc2ccccc21 2325760818 CISVEPBXTZVSHY-UHFFFAOYSA-N 309.413 2.958 0 50 DFAA CCCCC/C=C/[C@@H](O)[C@H](O)/C=C/c1cccc(O)c1CO 2332926186 SILLWCQCJWWTBA-XYFVXNIKSA-N 306.402 2.756 0 50 DFAA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H](C)N 122510236 CFJBTINAPBIGGU-JQWIXIFHSA-N 312.845 2.512 0 50 DFAA O=C(Cc1ccc(Br)cc1)c1c(O)cc(O)cc1O 58155 ZHFHYNNYPFXGEC-UHFFFAOYSA-N 323.142 2.991 0 50 DFAA biogenic O=C(O)c1nccnc1C(=O)Nc1ccc(Cl)cc1Cl 175786 BZTWPRIJQYXYHF-UHFFFAOYSA-N 312.112 2.734 0 50 DFAA CCOc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1F 384732 KJBWJMJLZIHXHT-UHFFFAOYSA-N 320.345 2.811 0 50 DFAA Cc1nnsc1C(=O)NCC1CCC(C(F)(F)F)CC1 348779820 DSYCGYOFWHIVDF-UHFFFAOYSA-N 307.341 2.945 0 50 DFAA CC(=O)Nc1c(Br)cc(N)cc1Br 2583435 IVRWBDFGHCBGBF-UHFFFAOYSA-N 307.973 2.752 0 50 DFAA CCOC(=O)CCN(C[P@](C)(=O)OC(C)C)C(=O)OCC 2904733 UCTAQMNRLRAWBU-OAQYLSRUSA-N 323.326 2.689 0 50 DFAA O=C(NCc1ccccc1)c1ccc(-n2cnnc2)cc1Cl 6701522 FFVOXJTWYIXWHR-UHFFFAOYSA-N 312.760 2.851 0 50 DFAA CC(=O)c1cc(C(=O)N(C)CCSc2ccc(C)cc2)[nH]n1 55393682 MPGCXNQKCROONW-UHFFFAOYSA-N 317.414 2.785 0 50 DFAA CC(C)(C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 53460872 YDTAAOGZBKLEIR-ZDUSSCGKSA-N 306.381 2.593 0 50 DFAA Cc1n[nH]c([C@@H]2CN(CC[C@H](C)c3ccccc3)CCO2)n1 225580760 FSEJMCHHVHYTPL-BBRMVZONSA-N 300.406 2.680 0 50 DFAA Cc1cccc(C)c1NC(=O)c1cccc(NS(C)(=O)=O)c1 10364623 FWLKOZDPHNHKRY-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA COc1ccccc1CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 171790197 GKFMCISAHYWIQS-CHWSQXEVSA-N 305.374 2.545 0 50 DFAA CCC(=O)N1CC[C@H](NCc2cccc3c2OC(C)(C)C3)C1 134514043 CTOHUYCFKBDNGD-HNNXBMFYSA-N 302.418 2.501 0 50 DFAA CN1CCN(CCOc2ccc(C(=O)c3ccccc3)cc2)CC1 20118465 ZEWHVQFDUSEAPR-UHFFFAOYSA-N 324.424 2.544 0 50 DFAA CC(C)c1nc(CN(C)Cc2ncccc2C(=O)O)cs1 65526547 ZSTJBSQBWOZJIO-UHFFFAOYSA-N 305.403 2.992 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 125091749 UIKIONWZRPHSBU-SWHYSGLUSA-N 312.335 2.629 0 50 DFAA Oc1n[nH]c(CN2CCC([C@@H](F)c3ccccc3F)CC2)n1 352543459 FKAHBQLOOFZFRH-CQSZACIVSA-N 308.332 2.572 0 50 DFAA Cc1cc(Br)oc1C(=O)N1CCCC[C@H]1[C@@H](C)N 121969563 MBMFGNLGDMHGSE-ZJUUUORDSA-N 315.211 2.692 0 50 DFAA O=S(=O)(N1CCC[C@H]1C1CC1)N1CCC[C@@H]1c1ccco1 252668845 FSSIIZOJZWMNRX-UONOGXRCSA-N 310.419 2.536 0 50 DFAA CN(Cc1cnccn1)C(=O)N[C@@H]1CCc2c(Cl)cccc21 172280639 WTCGJYXJPRHXCD-OAHLLOKOSA-N 316.792 2.959 0 50 DFAA CCOc1cc(N2CCC(F)(c3ccccn3)CC2)ncn1 328598696 NOHGQVHBUHKQJO-UHFFFAOYSA-N 302.353 2.736 0 50 DFAA Cc1cccc2c(N[C@H]3CCO[C@@H]3c3nccn3C)ncnc12 328632707 SAFHMVMRDNHMNO-ZFWWWQNUSA-N 309.373 2.614 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCO[C@H](c3nnc(C)o3)C2)C1(C)C 328615173 XZEWLKNDRZQECC-RDBSUJKOSA-N 319.405 2.516 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@@H]1C1CC1 328616195 BLHOQOHEUHCJIU-MLHJIOFPSA-N 313.445 2.579 0 50 DFAA Cn1ncc2c(NCCC3=CCCCC3)c(C(=O)O)cnc21 5753584 CTDUUMZDDYRSRZ-UHFFFAOYSA-N 300.362 2.969 0 50 DFAA O=C(NC1CCCC1)c1cn(Cc2ccccc2Cl)nn1 11950976 YJDSKQOZMZENSK-UHFFFAOYSA-N 304.781 2.652 0 50 DFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@@H]1c1ccccc1Cl 253370434 QWANHJZXPCTTKH-DNIRFERGSA-N 307.777 2.813 0 50 DFAA Cc1ccc(C(C)(C)NC(=O)c2ccc3oc(O)nc3c2)cn1 487094517 DKTMHZMRODGNAZ-UHFFFAOYSA-N 311.341 2.902 0 50 DFAA CC(C)(CN[C@@H]1CCCOc2cc3c(cc21)CCCC3)C(N)=O 367821583 OBYAVKVDORQGQW-MRXNPFEDSA-N 316.445 2.880 0 50 DFAA Cc1noc(C)c1CCn1cnc2c(oc3ccccc32)c1=O 127376012 NNIVHLLXCBWNPE-UHFFFAOYSA-N 309.325 2.990 0 50 DFAA CCCOc1ccc(CCC(=O)N2CC[C@](C)(C(=O)O)C2)cc1 236795355 FFYGNGYTTVQSTH-SFHVURJKSA-N 319.401 2.731 0 50 DFAA O=C(Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1)[C@@H]1CC12CCNCC2 261917605 IEXIEQVLVBFINX-XUXIUFHCSA-N 314.433 2.642 0 50 DFAA COc1cc(I)c(C(F)(F)F)cn1 217595497 RVAOTZFCDAFUIX-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA O=C(NCCOc1ccc(F)cc1F)c1ccc2ncoc2c1 241862490 SQKLCKLDRXVLLY-UHFFFAOYSA-N 318.279 2.915 0 50 DFAA CCc1ccccc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 262133799 LQJFYZNKJYKZTD-CQSZACIVSA-N 315.291 2.728 0 50 DFAA O=C(CN1CCCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 77425210 ITQHQUGTEPZXPY-OAHLLOKOSA-N 320.408 2.539 0 50 DFAA Cn1c([C@H]2CCCN2C(=O)C2=CCOCC2)nc2ccccc21 375073267 DRFRDMMZAASBHE-MRXNPFEDSA-N 311.385 2.584 0 50 DFAA COc1ncc(-c2nccn2-c2cnc3ccccc3c2)cn1 72125506 QMCSKNAZPNXGOY-UHFFFAOYSA-N 303.325 2.886 0 50 DFAA CC[C@H]1[C@H](C)CCN1S(=O)(=O)c1cccnc1C(F)(F)F 287380385 NMGQCGNTECXUPD-ZJUUUORDSA-N 322.352 2.910 0 50 DFAA COc1ccc2sc(C(=O)N3CC[C@@H](CN)C3)c(C)c2c1 178561533 KUINJKGHURUJDV-NSHDSACASA-N 304.415 2.639 0 50 DFAA CC(C)c1noc([C@@H]2CCCN2C(=O)CCc2cccnc2)n1 19799817 HKSTXRPNRPJPQV-AWEZNQCLSA-N 314.389 2.884 0 50 DFAA CC1(C)CN(C(=O)c2cc(=O)c(O)co2)C[C@@H]1c1ccccc1 426519197 GIKYSWASIIDDON-CYBMUJFWSA-N 313.353 2.611 0 50 DFAA O=C1CN(CCCCCCO)CCN1c1cccc(Cl)c1 91440923 GRGXWKIUEFAWOO-UHFFFAOYSA-N 310.825 2.541 0 50 DFAA CN1CCC[C@@H](CCC(=O)N2CC(Oc3ccccc3F)C2)C1 95354842 VWNYAMQSRBRWSS-AWEZNQCLSA-N 320.408 2.537 0 50 DFAA O=C(NC[C@H]1OCCc2ccccc21)c1onc2c1CCCC2 426477745 NKODZCATIKESNJ-MRXNPFEDSA-N 312.369 2.597 0 50 DFAA Cc1nc(N(C)Cc2noc3c2CCCC3)c2c(C)noc2n1 95388224 DZSFDIAVQWRBBA-UHFFFAOYSA-N 313.361 2.738 0 50 DFAA CN(Cc1noc2c1CCCC2)C(=O)Nc1cncc(F)c1 95518371 IDHVOUGQHGFEDE-UHFFFAOYSA-N 304.325 2.751 0 50 DFAA O=C(c1cc(O)c2cccc(F)c2n1)N1CC(c2ccccn2)C1 97155948 KAWUPLWLPXAKBK-UHFFFAOYSA-N 323.327 2.714 0 50 DFAA CSCC[C@H](N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 91997955 VFKMOLVMARBOES-INIZCTEOSA-N 324.465 2.687 0 50 DFAA CC[C@@H](NC(=O)COc1ccc(Cl)cc1C)[C@H]1C[C@@H](O)C1 240128315 IPSMFEMJDKQLDY-KWCYVHTRSA-N 311.809 2.693 0 50 DFAA Cc1noc([C@H]2CN(c3ccnc(C)c3Cl)C[C@@H](C)O2)n1 624583394 VRIIXBOCJDGJNX-PRHODGIISA-N 308.769 2.701 0 50 DFAA Cc1ccc(CCC(=O)N2CCC[C@H]2Cn2ccnn2)c(C)c1 299742873 JAJVWEVTBLWPDP-KRWDZBQOSA-N 312.417 2.519 0 50 DFAA Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2 604419387 HHFWJIVHIYPXDX-UHFFFAOYSA-N 323.805 2.838 0 50 DFAA NC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)cnc1O 261494817 JKXNUYGCTIZISU-UHFFFAOYSA-N 317.654 2.620 0 50 DFAA CC[C@@](C)(CCNC(=O)C1(C)COC1)c1ccccc1OC 534576733 PQPKOYGCYIUIRL-KRWDZBQOSA-N 305.418 2.906 0 50 DFAA CC[C@H](NC(=O)CSc1nccc(C)n1)c1nccs1 534674638 FABCAFVEQMXUFK-JTQLQIEISA-N 308.432 2.601 0 50 DFAA Cc1nnc(CN(C)Cc2nnc(-c3ccccc3)o2)s1 299766874 GPAXGEGCPHUXFF-UHFFFAOYSA-N 301.375 2.529 0 50 DFAA C[C@@H]1CCCCN1CC(=O)NCc1nc(C2CCCCC2)no1 299781274 FFDDUVVZHLJLTB-CYBMUJFWSA-N 320.437 2.608 0 50 DFAA O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95390420 IOJQENJGQZYRJU-PKOBYXMFSA-N 321.424 2.818 0 50 DFAA CC(C)[C@@H](NC(=O)c1cccc(N(C)C)c1)c1nccn1C 299782065 SHIGEZZBRZRFCI-OAHLLOKOSA-N 300.406 2.613 0 50 DFAA CC(C)Cn1cncc1CNC(=O)c1ccc(-n2ccnc2)cc1 821502132 MBLUXFOQQIQHMO-UHFFFAOYSA-N 323.400 2.655 0 50 DFAA O=C(Cc1cccnc1)Nc1ccccc1OC[C@@H]1CCCO1 828075356 MLNWXKDJXMRWJD-HNNXBMFYSA-N 312.369 2.821 0 50 DFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3N(C)C)n[nH]2)cc1 681804257 XNOCSRARHVGZHH-RHSMWYFYSA-N 312.417 2.598 0 50 DFAA O=C(c1ccc2cccc(Cl)c2n1)N1C[C@H]2CCCN[C@H]2C1 1565512927 ZIXOEEXOJVBXDF-DOMZBBRYSA-N 315.804 2.712 0 50 DFAA CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12 85224223 JZRCTBDEZJDQIY-UHFFFAOYSA-N 305.334 2.858 0 50 DFAA in-vitro COC1CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 630345501 HMXQONJQJMVZOU-UHFFFAOYSA-N 303.284 2.743 0 50 DFAA CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCN1 633659595 BTPWHADLDVLUCR-FRRDWIJNSA-N 306.372 2.812 0 50 DFAA O=C(NC[C@@H]1CCSC1)[C@H]1CCCN(Cc2ccccc2)C1 279085228 ARTMULWSPFVGRT-IRXDYDNUSA-N 318.486 2.768 0 50 DFAA Cn1cccc1[C@@H]1COCCN1C(=O)Nc1cccnc1Cl 170613486 IXIIVXBWNSJFNE-ZDUSSCGKSA-N 320.780 2.679 0 50 DFAA Cc1nc[nH]c1C(=O)N1CCC(Cc2cccc(F)c2)CC1 635356193 KRTWWLXYGGHKCI-UHFFFAOYSA-N 301.365 2.952 0 50 DFAA Cc1cc(C)n2nc(C)c(C(=O)Nc3ccc4c[nH]nc4c3)c2n1 193593563 AROALNBXRHBQKW-UHFFFAOYSA-N 320.356 2.783 0 50 DFAA O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccc3ccccc23)CN1 194878659 OEXRFDCAGHNPPU-PBHICJAKSA-N 308.381 2.639 0 50 DFAA COCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1 195235583 MCWRWLGMLVQLSM-OAHLLOKOSA-N 310.353 2.898 0 50 DFAA CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@@H](C(=O)O)C1 659228806 PMCYIQDZHQOHAF-UKKRHICBSA-N 307.312 2.677 0 50 DFAA Cc1cc2c(cc1NC(=O)Cn1ccnc1C(C)C)OCO2 585132495 YHJDTFJMCMPVGZ-UHFFFAOYSA-N 301.346 2.682 0 50 DFAA CCOc1nc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)co1 680357831 TYGFKXNHGLHBCA-DOMZBBRYSA-N 316.357 2.676 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N(C)[C@@H](CO)CC(C)(C)C)c1 868743575 NTFYQNJVIXCYBN-OAHLLOKOSA-N 318.417 2.680 0 50 DFAA Cc1ccc(-c2cnc3nncn3c2)c(-n2nc(C)cc2C)c1 1506405746 HFANULUKNJQQAA-UHFFFAOYSA-N 304.357 2.902 0 50 DFAA COc1ccc(F)cc1[C@@H](C(=O)O)N1C[C@H]2CC=CC[C@H]2C1 1506414614 GSXSWPURSHZFNN-OZVIIMIRSA-N 305.349 2.858 0 50 DFAA O=C(CCCc1ccccc1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529189641 SOIROUZCSKXXLI-RTBURBONSA-N 324.424 2.778 0 50 DFAA Cc1ccc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)s1 1772812331 FXKARBBSQJXHHA-UHFFFAOYSA-N 316.426 2.775 0 50 DFAA Oc1ccc(CC2CCN(c3ncc(Cl)cn3)CC2)cn1 1772705967 FGJZNRLKXJAWFB-UHFFFAOYSA-N 304.781 2.690 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCCN2CCC[C@@H]12 1772816496 OFKMRIXAPRZZCV-STQMWFEESA-N 307.463 2.932 0 50 DFAA O=C1c2ccccc2C(=O)N1c1n[nH]c(-c2ccc(Cl)cc2)n1 5999887 KTTQQVXGUFGJSY-UHFFFAOYSA-N 324.727 2.926 0 50 DFAA Cc1cc(S(=O)(=O)NCc2cccnc2)c(C)c(C)c1C 11566437 SPFOGSBZYBBICM-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c1 13685793 AODUOLKJMNGTHA-ZDUSSCGKSA-N 312.369 2.808 0 50 DFAA Cc1ccnc([C@@H](NC(=O)c2c(O)cccc2F)C2CC2)n1 225403463 TWMDHYZNTOFNSI-AWEZNQCLSA-N 301.321 2.511 0 50 DFAA CCc1noc(C)c1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@@H]1C 666443483 BBHWZRSYAWWNHJ-WRWORJQWSA-N 321.299 2.729 0 50 DFAA CO[C@H]1C[C@H](CC(=O)O)N(C(=O)c2ccc3sccc3c2)C1 263065852 OVOFOGIHZFJQOD-OLZOCXBDSA-N 319.382 2.606 0 50 DFAA Cn1nc(CNC(=O)Nc2ccnn2C(C)(C)C)cc1C1CC1 930926756 QLXNIZJHIQWSBG-UHFFFAOYSA-N 316.409 2.571 0 50 DFAA Cc1nn(Cc2ncc(C(C)C)o2)c(C)c1[C@H]1COCCN1C 852963439 UAZMGZXGFWFMMK-CQSZACIVSA-N 318.421 2.663 0 50 DFAA O=C(C[C@H]1OCCc2ccccc21)Nc1cnc(Cl)cn1 952875987 HKDVOSXUKTZGIR-GFCCVEGCSA-N 303.749 2.773 0 50 DFAA CON(CC1CCCCC1)C(=O)c1cc(C(=O)O)cnc1C 1875270993 XGYYIDCMKWZHKS-UHFFFAOYSA-N 306.362 2.672 0 50 DFAA c1ccc(C[C@H](N[C@H]2CCc3c[nH]nc3C2)[C@H]2CCCO2)cc1 1875291757 KNVHDWSCKHRRAY-YTQUADARSA-N 311.429 2.647 0 50 DFAA CCOC(=O)[C@@H]1CC/C(=C/c2cc3c(c(OC)c2)NC(=O)C3)C1 1875319870 WLOXABUPKSFYFJ-TUOYRWMMSA-N 315.369 2.936 0 50 DFAA Cc1ccnc([C@H](C)NC(=O)c2cc(C)nc3c2nc(C)n3C)c1 1875309296 FULLASKFAHKJLH-LBPRGKRZSA-N 323.400 2.780 0 50 DFAA O=C(NCc1n[nH]c2c1CCCC2)c1ccccc1OC1CC1 1775988271 RIQLABUXGSRKFA-UHFFFAOYSA-N 311.385 2.760 0 50 DFAA CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc1 1776002245 AOLIAOGXYVXUHN-LSDHHAIUSA-N 313.332 2.921 0 50 DFAA COc1ccc(Br)c(C(=O)NCC[C@@H](C)OC)c1 263711270 ALYCBIUCFPXAKZ-SECBINFHSA-N 316.195 2.613 0 50 DFAA C[C@@H]1C[C@H](C(=O)O)CCN1Cc1nc(C(F)(F)F)cs1 903939011 KHXNMYIILCIBTN-HTQZYQBOSA-N 308.325 2.847 0 50 DFAA COc1cccc([C@H](NC[C@@H](O)CC(C)(C)O)C(C)(C)C)c1 2325760467 MHGTUJCLNWLPRZ-HOCLYGCPSA-N 309.450 2.894 0 50 DFAA CN(C)Cc1ccc(CNC(=O)c2nccc3[nH]ccc23)s1 2325766832 IMOGCJFSIFPRRW-UHFFFAOYSA-N 314.414 2.616 0 50 DFAA Cc1ccc(NC(=O)c2csc([C@@H](C)N)n2)c2[nH]ncc12 2325856828 DSWZEMFGHGNCMD-MRVPVSSYSA-N 301.375 2.600 0 50 DFAA Cc1ccccc1-c1nc(CN2Cc3c[nH]nc3[C@H](C)C2)no1 931458092 PZQQGQCSIMRACO-GFCCVEGCSA-N 309.373 2.887 0 50 DFAA C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 119210 KDGWAIDMBFPEEM-CYBMUJFWSA-N 322.364 2.550 0 50 DFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1OCC 310977 NVJJGONSAROQIK-HNNXBMFYSA-N 318.373 2.619 0 50 DFAA O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccncc1 531604 GGUTYHISCDQWQH-UHFFFAOYSA-N 317.348 2.511 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@H]2CC=C(C)C[C@H]2C(=O)O)cc1 4713580 ONZVRWITVUPGIP-LSDHHAIUSA-N 301.342 2.885 0 50 DFAA COc1ccc([C@](C)(O)[C@H]2CCCN2Cc2ccncc2)cc1 225524479 FSJPFFNCJUYQTE-MOPGFXCFSA-N 312.413 2.962 0 50 DFAA CNCCNC(=O)c1ccccc1Cc1ccc(Cl)cc1 55120504 ORBJQENQZHLAKW-UHFFFAOYSA-N 302.805 2.880 0 50 DFAA CCCCC1=NC(=O)C2(CCN(C(=O)C(CC)CC)CC2)N1 55099282 ICVNIRYHHNVUBC-UHFFFAOYSA-N 307.438 2.502 0 50 DFAA Cc1nc2ccccn2c1CN[C@H]1CCO[C@@]2(CCSC2)C1 344999167 QQCQNFQCTOJPOD-YOEHRIQHSA-N 317.458 2.787 0 50 DFAA Cc1cnc(C)c(Oc2ccccc2CN2CCN(C)CC2)n1 67773300 QJNZFSBUPDXIFS-UHFFFAOYSA-N 312.417 2.633 0 50 DFAA CS(=O)(=O)C1(c2nc(-c3cccc(Cl)c3)no2)CCC1 345704402 ZDFHTLHMMKHLSN-UHFFFAOYSA-N 312.778 2.814 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccccc1F 248116873 IZGXXZREXZVUFV-IAGOWNOFSA-N 304.409 2.844 0 50 DFAA Cc1ncccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65394348 NPTVCVBOTOFXBL-DLBZAZTESA-N 314.360 2.520 0 50 DFAA CSc1ncccc1C(=O)N(C)[C@H](C)Cc1ccccn1 67676829 MXNKOVLISQYAFZ-GFCCVEGCSA-N 301.415 2.902 0 50 DFAA CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccncc2F)o1 120522524 CYRIBQPRTYOXEH-AWEZNQCLSA-N 319.336 2.982 0 50 DFAA O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cc2c(s1)CCC2 121141627 WKEYVVBOXIYFKN-UHFFFAOYSA-N 311.370 2.669 0 50 DFAA C[C@H](N[C@H](C)COc1ccccc1)[C@@H](O)c1ccc(O)cc1 407 BMUKKTUHUDJSNZ-QWQRMKEZSA-N 301.386 2.871 0 50 DFAA biogenic,world CN(Cc1cc2ccccc2n(C)c1=O)C1CCSCC1 215835765 DLBBDEIVXQJJPL-UHFFFAOYSA-N 302.443 2.866 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1OC 4119199 MOOCTZBECICCOY-RISCZKNCSA-N 317.385 2.914 0 50 DFAA 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OCCN(Cc1ncc[nH]1)Cc1nc(-c2ccccc2)cs1 1704333536 ATYHJKYCABZOCQ-UHFFFAOYSA-N 314.414 2.528 0 50 DFAA CNC(=O)[C@H]1CC[C@H](CNc2nc(C)nc3sccc23)CC1 1772704906 ULNWSZAVNHWKRB-HAQNSBGRSA-N 318.446 2.964 0 50 DFAA C[C@H](CCn1cccn1)N1CCC(c2ccnc(O)c2)CC1 1772807758 ABEXQIFXFBWKKN-CQSZACIVSA-N 300.406 2.642 0 50 DFAA C[C@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)C1 12097811 PJGUCNCLZXHRPW-LRDDRELGSA-N 304.365 2.772 0 50 DFAA COC[C@@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1 12075731 DHQGDBMTLVFTHE-CYBMUJFWSA-N 317.389 2.604 0 50 DFAA Cc1ccc(-c2n[nH]cc2CN(C)C[C@H]2COCCO2)cc1C 12305082 UBPPITURTIIBFQ-KRWDZBQOSA-N 315.417 2.541 0 50 DFAA O=C(c1ccc2c(c1)OCO2)N1CCN(C2CCCCC2)CC1 13327341 AGWQNWXHWRNMEH-UHFFFAOYSA-N 316.401 2.506 0 50 DFAA C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(N)cc1 17055296 RTZPTSSDADQAHF-NSHDSACASA-N 320.389 2.938 0 50 DFAA Cc1n[nH]c(SCC(=O)c2ccc(Br)cc2)n1 18093927 UDDXBSNUZDFMOF-UHFFFAOYSA-N 312.192 2.851 0 50 DFAA COCCNC(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 19809333 AMWVNJWBDUQUCF-JQIJEIRASA-N 316.445 2.565 0 50 DFAA Cc1ccc(C(=O)N(C)Cc2cnc(N(C)C)nc2)c(Cl)c1 225428263 PPLIFIXOYHXCMM-UHFFFAOYSA-N 318.808 2.777 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 238067564 SNVRPHQBVZTFHO-NSHDSACASA-N 307.777 2.695 0 50 DFAA CCCC1(O)CCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 340984977 XZUBBWIBTCUFDW-OAHLLOKOSA-N 318.465 2.844 0 50 DFAA COCC1CCC(NC(=O)c2ccc3nsnc3c2)CC1 665653580 ZBKURJLWDUPIFB-UHFFFAOYSA-N 305.403 2.626 0 50 DFAA COCC1(c2noc([C@@]34CCCC[C@@H]3NCC4)n2)CCCC1 904733157 UNPBPHTTWQMDCE-SUMWQHHRSA-N 305.422 2.702 0 50 DFAA C[C@H]1CN(C(=O)COc2cccnc2)c2cc(F)c(F)cc2O1 906238344 QMSABODGSVRZTR-JTQLQIEISA-N 320.295 2.553 0 50 DFAA C[C@@H](C[S@](C)=O)Nc1ccc(-c2ccccc2Cl)nn1 864091246 AIEMZSPBAKAHHF-FVINQWEUSA-N 309.822 2.976 0 50 DFAA Cc1cc(C(=O)O)ccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 1875277921 NUTUICFMJHHMFN-CQSZACIVSA-N 317.385 2.915 0 50 DFAA COC(=O)c1cc2cc(CNCCc3cccnc3)sc2[nH]1 1875271941 PSTFEGNLYWLIDV-UHFFFAOYSA-N 315.398 2.743 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C(F)(F)c1ccccc1 1875361764 APGVBZNWOCXGOA-CHWSQXEVSA-N 312.360 2.891 0 50 DFAA CC(C)(F)[C@@](C)(F)c1noc(C2(S(C)(=O)=O)CCCC2)n1 1875320364 AIVDYHHPTSZMBU-LBPRGKRZSA-N 322.377 2.816 0 50 DFAA CC(C)(C)c1coc(CNC(=O)[C@@H]2OCCc3ccccc32)n1 889559211 NFWIJXDSOXKRDN-MRXNPFEDSA-N 314.385 2.902 0 50 DFAA O=S(=O)(CCCCF)Nc1ccc2n[nH]cc2c1Cl 1775989606 QNXRWAFKYMLADD-UHFFFAOYSA-N 305.762 2.708 0 50 DFAA CC[C@H](CNCCC(=O)O)Oc1cccc(C(F)(F)F)c1 1776004725 VUNVLKFZZVGPOA-LLVKDONJSA-N 305.296 2.927 0 50 DFAA O=C(c1ccc(-c2ccc3occc3c2)nc1)N1CCCNCC1 2325796696 DVXDSMLEXFMCCA-UHFFFAOYSA-N 321.380 2.930 0 50 DFAA Brc1cncc2cnn(CCc3ccns3)c12 2325823924 IWGRUYGTZZZBMQ-UHFFFAOYSA-N 309.192 2.893 0 50 DFAA Oc1ncccc1CNc1cccc(-c2n[nH]c3c2COCC3)c1 2325839630 ZQIIWZPNZZVQJX-UHFFFAOYSA-N 322.368 2.862 0 50 DFAA Cc1nc2c([nH]1)CN(C(=O)c1ccnc(-c3ccccc3)c1)CC2 2325856541 UORBWBUSTBJQIC-UHFFFAOYSA-N 318.380 2.979 0 50 DFAA CN(C)Cc1cc(-c2cnc(-c3ncccn3)nc2)ccc1F 2325856877 GYVDWDOYJODUPG-UHFFFAOYSA-N 309.348 2.801 0 50 DFAA Cc1ccc(S(=O)(=O)NC[C@H]2OCCc3ccccc32)cc1 168945 HJEJCCAALGFDTE-QGZVFWFLSA-N 317.410 2.587 0 50 DFAA O=C(O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1O)C2=O 267968 NGRNQTMCUBNKPJ-UHFFFAOYSA-N 317.684 2.544 0 50 DFAA CC(=O)Nc1ccc(NCC[C@H](O)Oc2ccccc2)cc1 310479 FJOILEHPBAAZAZ-QGZVFWFLSA-N 300.358 2.844 0 50 DFAA NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12 441842 QWKBFNKEKYGJKR-UHFFFAOYSA-N 320.348 2.956 0 50 DFAA Cc1cc(OS(=O)(=O)c2ccccc2)cc2sc(=O)oc12 2024275 OETZLRBDIIFQLA-UHFFFAOYSA-N 322.363 2.931 0 50 DFAA biogenic COCCSc1ccccc1C(=O)Nc1nnc(C)s1 2865307 YRNRMTXPKCSCRY-UHFFFAOYSA-N 309.416 2.837 0 50 DFAA CCOC(=O)c1ccc2[nH]c(C)c(CCC(C)=O)c(=O)c2c1 3877582 OWYXFRRSVGLPGC-UHFFFAOYSA-N 301.342 2.535 0 50 DFAA biogenic Cc1ccc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 4868399 OYZIJPDFASHTTM-UHFFFAOYSA-N 313.382 2.895 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csc(C2CC2)n1 247113094 PGTLACIYEXAUPR-RTXFEEFZSA-N 320.414 2.878 0 50 DFAA COc1ccc(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 100991082 SWJNFMKJQPCVIQ-INIZCTEOSA-N 309.365 2.813 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)C(=O)C[C@H]12 61946782 QHSZSKZLCCRGLJ-RWFBDKOUSA-N 306.446 2.930 0 50 DFAA CN1C(=O)C[C@H](C(=O)Nc2cccc(O)c2)[C@H]1c1ccccc1 20718371 BGPJDAZHHURGRY-DOTOQJQBSA-N 310.353 2.550 0 50 DFAA COC(=O)c1cccc(CN(C)[C@H](C)Cc2cc(C)ccn2)n1 55099647 QYAQDNWWPJOSSK-CQSZACIVSA-N 313.401 2.635 0 50 DFAA Nc1nc(CCCNC(=O)C[C@H]2CCc3ccccc32)cs1 65463045 IYKNFZLQKCXSAM-CYBMUJFWSA-N 315.442 2.894 0 50 DFAA COc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(N(C)C)cc1 65397536 MZLMGFLKAYCXFD-ZDUSSCGKSA-N 312.369 2.941 0 50 DFAA CN(C(=O)CC[C@@H]1CCCOC1)c1nc2ccccc2n1C 120360101 YEZGXJJRMUCJPO-ZDUSSCGKSA-N 301.390 2.743 0 50 DFAA CC1(C)[C@H](NC(=O)c2ccc3nc(S)oc3c2)[C@@H]2CCO[C@H]21 230221570 GSSUGLUMUQSOSM-ZWKOPEQDSA-N 318.398 2.660 0 50 DFAA CC(C)[C@H]1c2nc[nH]c2CCN1Cc1ccccc1OCCO 67674497 SSKNZHWUIGPMBD-SFHVURJKSA-N 315.417 2.536 0 50 DFAA CCN(CCOc1c(C)cccc1C)Cc1ncnn1CC 67675025 QUGPPTDFLAVSHT-UHFFFAOYSA-N 302.422 2.816 0 50 DFAA C[C@H]1CN(Cc2ccccc2OC(F)F)C[C@]2(CCOC2)O1 328588505 HGFNLNWANFSDRF-LRDDRELGSA-N 313.344 2.668 0 50 DFAA Cc1cn(CCn2ccnc2-c2cccc([C@H](C)N(C)C)c2)nn1 77406641 MXLYQGFHFFMNCR-HNNXBMFYSA-N 324.432 2.773 0 50 DFAA O=C(NCc1ccc(F)cc1)[C@@H]1CC(c2ccc(F)cc2)=NO1 5029828 LKFGBMOFOFITED-INIZCTEOSA-N 316.307 2.774 0 50 DFAA Cc1ccc(C(C)(C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)cn1 332166825 QVIISYSWFPRCMI-HNNXBMFYSA-N 323.396 2.867 0 50 DFAA COc1ncccc1N(C)C(=O)c1noc2c1CCCCC2 154121643 PVFYHQVIVPFBSK-UHFFFAOYSA-N 301.346 2.624 0 50 DFAA Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ncc(C(C)C)s1 172739849 TZUODOJHVSIXAR-UHFFFAOYSA-N 318.358 2.657 0 50 DFAA C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2C[C@@]23CCNC3)C1 444210831 ITNVAKYLYDYEOF-YSIASYRMSA-N 312.457 2.857 0 50 DFAA CCC/C=C/c1cc(C(=O)O)cc(S(=O)(=O)N2CCCC2)c1 71753922 QEQDCQHTIOTINY-QPJJXVBHSA-N 323.414 2.983 0 50 DFAA CC[C@H]1CN(C(=O)c2nc3cccnc3s2)C[C@@H](CC)O1 333761892 CTFYYOFYPNHPMX-PHIMTYICSA-N 305.403 2.721 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@H](N)C[C@H]3C)co2)cs1 237499822 IFAQJPQCDIEMPX-SKDRFNHKSA-N 305.403 2.663 0 50 DFAA O[C@H]1CCC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)C1 604881694 MCLXYUFLDAGOBU-OLZOCXBDSA-N 310.401 2.743 0 50 DFAA O=C(N[C@H]1CCN(c2ccccn2)C1)N[C@H]1CC12CCCCC2 245636820 XFRKOCAHLZGOPU-GJZGRUSLSA-N 314.433 2.682 0 50 DFAA O=C(NCc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 44843607 IJQPCHJYUFZHHH-UHFFFAOYSA-N 314.360 2.592 0 50 DFAA Cc1cccc(OC2CN(C(=O)c3cccc4nccnc34)C2)c1 82109108 DMOYVGUPBMNWLG-UHFFFAOYSA-N 319.364 2.842 0 50 DFAA Cc1nn(C(C)C)cc1-c1ccc(S(=O)(=O)N(C)C)cc1 426491333 ASFOKMAZLGXDAN-UHFFFAOYSA-N 307.419 2.690 0 50 DFAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCc2nn[nH]c2C1 332584457 JEISXOLCWKWYNP-CMPLNLGQSA-N 318.808 2.783 0 50 DFAA COCC[C@]1(CO)CCCN(c2ccc(C(F)(F)F)cn2)C1 91934376 WJZLVLJCRPKVJJ-CQSZACIVSA-N 318.339 2.716 0 50 DFAA CC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C)CC1 21658119 IPRWAVMJCTWOQT-UHFFFAOYSA-N 318.348 2.612 0 50 DFAA CCOC1(C)CCN(C(=O)Nc2ccc(OC)nc2C)CC1 292710341 LLNWVVBYMZJOKK-UHFFFAOYSA-N 307.394 2.822 0 50 DFAA CC[C@@H](C)OCc1nc(-c2cn(C)nc2C(F)(F)F)no1 293142268 WQHVEKITHCJSOD-SSDOTTSWSA-N 304.272 2.804 0 50 DFAA O=S(=O)(c1ccc(Cl)s1)N1CCC[C@]2(CCOC2)C1 95387821 KBIIIDPAWMWIRF-LBPRGKRZSA-N 321.851 2.593 0 50 DFAA Cc1nnc(N2CCC([C@@H](O)CCc3ccccc3)CC2)o1 91819944 YQFBKAKQGBBWFS-INIZCTEOSA-N 301.390 2.588 0 50 DFAA C[C@@H](CC(=O)N1CC(Oc2ccccc2Cl)C1)n1cccn1 91876590 QDDQNWZSCFQNQF-LBPRGKRZSA-N 319.792 2.777 0 50 DFAA CO[C@@H](C(=O)Nc1nc(-c2ccccc2)nn1C)c1ccccc1 239366960 AGYFSNSGSIDEIF-OAHLLOKOSA-N 322.368 2.808 0 50 DFAA Brc1cc(I)c2c(c1)CCO2 97756612 ZUFIACZVNSQDBL-UHFFFAOYSA-N 324.943 2.989 0 50 DFAA CCN(CC1CCOCC1)C(=O)[C@H](c1ccccc1C)N(C)C 95520748 CUCJLYMPJABVLK-SFHVURJKSA-N 318.461 2.873 0 50 DFAA Cc1cc([C@H]2CCCN2Cc2noc(-c3ccco3)n2)on1 244816972 SSABSYHUPSOXGB-LLVKDONJSA-N 300.318 2.963 0 50 DFAA CCC[C@@H]1C=CCN1CC(=O)Nc1ccccc1NC(C)=O 244678672 IHXLIKZJUCUTIJ-CQSZACIVSA-N 301.390 2.624 0 50 DFAA CNC(=O)c1ccc(CN2CCCC[C@@H]2c2cc(C)on2)o1 299763114 OWKJXTYGUJLAJZ-CQSZACIVSA-N 303.362 2.663 0 50 DFAA CC(=O)Nc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 408525763 BXHVVFLCIBBLLV-UHFFFAOYSA-N 303.325 2.903 0 50 DFAA Cc1cc(C(=O)N(C[C@@H]2CCCN2)C2CC2)c2ccccc2n1 186560720 BELZJYLJGCZVSU-AWEZNQCLSA-N 309.413 2.900 0 50 DFAA CN(Cc1nnc[nH]1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 170644449 QGJVAPXZSGEUTP-RYUDHWBXSA-N 324.306 2.586 0 50 DFAA CCOCCN(C)C(=O)Nc1ccc(OC)nc1C(F)(F)F 170616915 PFNWQAIIYODPQG-UHFFFAOYSA-N 321.299 2.609 0 50 DFAA CCC(=O)Nc1ccc([C@H](C)Nc2ncnc3[nH]ncc23)cc1 169943759 OETYZWDVNIPKFQ-JTQLQIEISA-N 310.361 2.875 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CCC(c3ccon3)CC2)c1 634692682 GNFOFRSWCLYBKZ-MRXNPFEDSA-N 316.357 2.689 0 50 DFAA Cc1ccc(NC(=O)[C@H]2COCCN2C2CCCC2)cc1F 188412289 FQPMYLUQMGKSCB-MRXNPFEDSA-N 306.381 2.716 0 50 DFAA CCO[C@@H]1C[C@@](O)(CN[C@@H](C)c2cnn(C(C)C)c2)C1(C)C 189426843 GKRJEYQZXLWREH-YSVLISHTSA-N 309.454 2.681 0 50 DFAA CC[C@@H](NC(=O)CC(=O)Nc1cccc(C)c1)c1cccnc1 1506401568 DVAAGGVHZSWBDG-MRXNPFEDSA-N 311.385 2.986 0 50 DFAA CN(C(=O)c1ccc2ccccc2c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704337892 HFMXJIAAYZVQRK-FGTMMUONSA-N 322.408 2.827 0 50 DFAA CCc1ccccc1N1C[C@@H](C(=O)N2CCCCC2)CC1=O 11354397 HGYHTWIGYGISCE-HNNXBMFYSA-N 300.402 2.614 0 50 DFAA c1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 12376629 AOSIXLDADIEHHS-UHFFFAOYSA-N 307.397 2.917 0 50 DFAA Cc1cc2c(=O)n(Cc3cnn(C)c3C)c(=S)[nH]c2s1 17031374 QZNCZXWCMQRJON-UHFFFAOYSA-N 306.416 2.519 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)cc1 205360844 JJSLPYBKGUUQEP-ZIAGYGMSSA-N 321.373 2.873 0 50 DFAA CCN(Cc1occc1C)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857529327 PVQBWMWPWQOCON-NEPJUHHUSA-N 317.389 2.996 0 50 DFAA COc1ccc(CNC(=O)[C@H]2CCC[C@H](C)C2)cc1C(=O)O 237304029 AJACRCFPSJLABV-AAEUAGOBSA-N 305.374 2.836 0 50 DFAA c1cc(N2CCC[C@@]3(CCOC3)C2)nc(-c2nccs2)n1 631294103 KVVXUNGAHYPPAH-OAHLLOKOSA-N 302.403 2.607 0 50 DFAA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(CN)o3)C2)cc1 237295820 WSHPGDLRBZJETF-TZMCWYRMSA-N 314.385 2.765 0 50 DFAA COc1cccc(C2(C(=O)Nc3nn(C(C)C)cc3C)CC2)c1 585082079 ZJHSRQFIPCNLRS-UHFFFAOYSA-N 313.401 3.451 0 50 DFAA O=C1CC[C@H](c2ccc(-c3ccc4c(c3)[C@H](C(=O)O)CO4)cc2)N1 901087064 SGCFIJJYNZVWJD-HZPDHXFCSA-N 323.348 2.865 0 50 DFAA CCCCc1noc(CN(C)C[C@@]2(O)CCc3ccccc32)n1 829303449 WHSSRZSSNBGESS-SFHVURJKSA-N 315.417 2.678 0 50 DFAA O=C(Nc1ccnn1C1CCC1)N[C@H]1CCOC12CCCC2 934729994 CLPJNWTUMUSANW-ZDUSSCGKSA-N 304.394 2.831 0 50 DFAA CCn1cnc2c(N3CCC[C@H]3[C@H]3CCCOC3)nccc21 1875294632 LASWQAPVRFSHLO-KBPBESRZSA-N 300.406 2.847 0 50 DFAA Cc1cc(C(F)(F)F)ccc1CN1CCC(O)(CCN)CC1 1875298615 HNPGXZQGWOYPOE-UHFFFAOYSA-N 316.367 2.690 0 50 DFAA CCc1ccc(CNC(=O)[C@H](CO)c2ccc(F)cc2)c(F)c1 1875301909 VOAQDLBZHCVEQW-MRXNPFEDSA-N 319.351 2.920 0 50 DFAA C=CC(=O)N(CC)CC(=O)N[C@H](C)[C@@H]1CCCc2ccccc21 1875367118 JHSFLFDEONCNJH-ZBFHGGJFSA-N 314.429 2.646 0 50 DFAA CC(C)(C)c1nc(Cn2ccnc2[C@H](O)c2ccco2)co1 877880805 JCQGHUGAJCORGO-CYBMUJFWSA-N 301.346 2.892 0 50 DFAA Cc1nc2ccccn2c1CNC(=O)N[C@@H]1C[C@H]1c1ccco1 895398623 SIVGMDSCKJNBTI-CHWSQXEVSA-N 310.357 2.591 0 50 DFAA O=C(O)c1ccc2c(c1)C(=O)N(c1cccc3cccnc13)C2=O 68804 JDMKEZDAKJEEKC-UHFFFAOYSA-N 318.288 2.734 0 50 DFAA Cc1nc2c(C(=O)N3CCC[C@@H]3c3cccnc3)ccnc2n1C 2100556684 OWXKIGBMZSDPHM-OAHLLOKOSA-N 321.384 2.649 0 50 DFAA O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1ccc(C(F)(F)F)[nH]1 2325774516 SVRPGMQTKORFRZ-YPMHNXCESA-N 310.275 2.903 0 50 DFAA Cc1cn2c(n1)CC[C@H](CN(C)c1cc(O)nc3ncccc13)C2 2325789472 RRHGTPGGLOTVEP-CYBMUJFWSA-N 323.400 2.539 0 50 DFAA Cn1c(NC(=O)c2cc3cccn3c(O)n2)cc2ccccc21 2325851327 WNPVOECOUGVKCW-UHFFFAOYSA-N 306.325 2.784 0 50 DFAA Fc1ccc(-n2cc(-c3cc4c(s3)CCNC4)nn2)cc1 2325856759 AQXAUSKTGQOMMD-UHFFFAOYSA-N 300.362 2.781 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 103783 QGRLIADDLJHMLU-BONVTDFDSA-N 318.373 2.665 0 50 DFAA Cc1ccc(C[n+]2c3n(c4ccccc42)C[C@H](O)CS3)cc1 240933 KWBZEGQBSOOSNY-HNNXBMFYSA-N 311.430 2.752 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2ccccc2O)cc1 436876 IZLOZGRQFRNQSL-UHFFFAOYSA-N 302.355 2.528 0 50 DFAA CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356145608 FFRVSGFSNBRSJB-AMBYYYRHSA-N 311.429 2.854 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F 4113536 BXJRIVNYXGFZPA-CQSZACIVSA-N 306.337 2.797 0 50 DFAA CCOC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 6699534 LJHVRVDVIOHXCB-NXEZZACHSA-N 323.370 2.530 0 50 DFAA O=S(=O)(Nc1cccnc1)c1ccc(OC(F)(F)F)cc1 8662886 NMYMNURHYCEBJW-UHFFFAOYSA-N 318.276 2.781 0 50 DFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](c3ccccc3)C2)C1 246842049 BDTHSAWIHTZPBR-BZUAXINKSA-N 301.386 2.894 0 50 DFAA CC(C)(C)c1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)no1 101448539 PTJRONGPUOQINW-VDUILEQBSA-N 306.362 2.658 0 50 DFAA Cc1cccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)s2)c1 421433348 MEEJVOUJMQSPKE-UHFFFAOYSA-N 323.439 2.732 0 50 DFAA CN(C[C@@H]1CCCNC1)C(=O)CCSCc1ccc(F)cc1 65375879 RQAMRDFPCUBZHZ-OAHLLOKOSA-N 324.465 2.907 0 50 DFAA COc1ccc(OCCN2CCC[C@@H](Cn3ccnc3)C2)cc1 65435638 ZESZNWVWVNGYAU-MRXNPFEDSA-N 315.417 2.683 0 50 DFAA CCN(CC)S(=O)(=O)c1cc2c3c(c1)c(C)c(C)n3CC2 22014100 LWGYKFIPHYEOHG-UHFFFAOYSA-N 306.431 2.845 0 50 DFAA CC[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67790731 BRXFKRNKIDLERV-ZDUSSCGKSA-N 321.327 2.506 0 50 DFAA CCCCc1noc([C@H](C)N[C@H]2CCN(C(=O)CC)C[C@H]2C)n1 252668740 FLGLRLVYFCNDTL-RDBSUJKOSA-N 322.453 2.710 0 50 DFAA O=C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2169812 LINBWYYLPWJQHE-UHFFFAOYSA-N 311.337 3.000 0 50 DFAA biogenic CC(C)(C)OC(=O)N[C@@H](CCOCc1ccccc1)C(=O)O 2562512 RFDXPGUBDAKLDM-ZDUSSCGKSA-N 309.362 2.571 0 50 DFAA biogenic Cn1ccc(CCC(=O)N2CCCCC[C@H]2c2cccn2C)n1 429917648 BNILSLMORFNRSH-KRWDZBQOSA-N 314.433 2.835 0 50 DFAA Cc1nccc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)n1 216234120 MBGQLKPMQHUJTN-UHFFFAOYSA-N 311.385 2.863 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCO[C@@H](c3nnc(C)o3)C2)C1(C)C 328615171 XZEWLKNDRZQECC-MCIONIFRSA-N 319.405 2.516 0 50 DFAA O=C(Nc1ccccc1)[C@H]1CCCN(Cc2cncs2)C1 122858428 DQPDWJWNBMISAC-ZDUSSCGKSA-N 301.415 2.994 0 50 DFAA C[C@@H]([C@@H]1COc2ccccc2O1)n1cnc2ccccc2c1=O 32553407 AQNQERHRZLHEKZ-SJCJKPOMSA-N 308.337 2.798 0 50 DFAA CC(C)c1[nH]ccc1C(=O)N[C@@H](CC(N)=O)C1CCCCC1 286286617 WFUVUEDLZZTCEN-AWEZNQCLSA-N 305.422 2.692 0 50 DFAA CC(C)[C@@](C)(CC(=O)O)NC(=O)c1cccc([C@H]2CCOC2)c1 263027233 QQOVJFNKBCJNHG-MAUKXSAKSA-N 319.401 2.810 0 50 DFAA CCCOc1ccc(CCC(=O)N2CC[C@H](N)C[C@@H]2C)cc1 236795290 ARECACCOALSPEN-HOCLYGCPSA-N 304.434 2.746 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCC[C@H]1N 237169911 DQGZKULHGYTRTM-VXGBXAGGSA-N 316.323 2.671 0 50 DFAA CCn1ncnc1CN1CCC[C@H]1c1ccc(CN(C)C)cc1 215667827 DZYZRAQICPELGV-KRWDZBQOSA-N 313.449 2.697 0 50 DFAA CCc1ccc([C@H]2COCCN2CCc2ccnn2CC)o1 240668154 HMPXPVDOSGQKQI-MRXNPFEDSA-N 303.406 2.674 0 50 DFAA C[C@H]1CN(C(=O)c2ccc3c(c2)nnn3C)[C@@H]1c1ccccc1 173964715 NDOSDACYKGWCBC-SJCJKPOMSA-N 306.369 2.802 0 50 DFAA C[C@@H](NCc1cn(CC2CC2)nn1)c1cccc(-n2cccn2)c1 450672128 KDDNNTHGTJBQFD-CQSZACIVSA-N 322.416 2.725 0 50 DFAA CN1C[C@H](CNC(=O)c2cc[nH]c2C2CC2)Cc2ccccc21 376050700 OXTMGWRTLGDJBB-ZDUSSCGKSA-N 309.413 2.931 0 50 DFAA CCO[C@@H]1C[C@]2(NC(=O)N(c3cscc3C)C2=O)C1(C)C 286014086 MOHFTCUEHXGEOF-IAQYHMDHSA-N 308.403 2.687 0 50 DFAA CN(Cc1noc(C2CCC2)n1)C(=O)c1cnc2ccccc2n1 223072261 WIIQDOGLHBVTQJ-UHFFFAOYSA-N 323.356 2.553 0 50 DFAA Cn1cc(C(=O)N2CCC(c3ncon3)CC2)c2ccccc21 426507867 LQOIBCJNMHVFDX-UHFFFAOYSA-N 310.357 2.581 0 50 DFAA Cc1cc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)cc(C)n1 19838843 ICOWEILLNYZTJW-UHFFFAOYSA-N 306.369 2.714 0 50 DFAA O=C(NCCCc1ccccn1)c1cc(=O)c2ccccc2o1 223039038 OBVJLTCWWDRJJH-UHFFFAOYSA-N 308.337 2.551 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)Cc2nc3ccccc3[nH]2)on1 426504134 XTRFHICWCJTXTN-AWEZNQCLSA-N 310.357 2.766 0 50 DFAA CCCOc1ccc(Cl)cc1CNC(=O)c1ccnn1C 97775760 WIHVSQPPIIHRJX-UHFFFAOYSA-N 307.781 2.792 0 50 DFAA CC(C)(O)CCc1cccc(-c2nc([C@H]3CCOC3)no2)c1 96151200 GEVIXYRBSOGNMB-AWEZNQCLSA-N 302.374 2.944 0 50 DFAA CCOc1ccc(NC(=O)N[C@@H]2CCNC2)cc1C(F)(F)F 97742650 PTANJVLTKXKKSU-SNVBAGLBSA-N 317.311 2.588 0 50 DFAA C[C@H]1CN(C(=O)NCCc2ccncc2)Cc2ccccc2O1 292498218 GRPNAFBJCLDEBW-AWEZNQCLSA-N 311.385 2.617 0 50 DFAA CC1(C)CCC[C@H](C(=O)NCc2nnc3n2CCCCC3)C1 179250658 RRJIPJITNJQQQW-ZDUSSCGKSA-N 304.438 2.837 0 50 DFAA CCc1cccc(NC(=O)NC[C@H]2CCN(CCCOC)C2)c1 95524952 HOFFVEJMJZEHLZ-MRXNPFEDSA-N 319.449 2.729 0 50 DFAA C[C@H]1CCCN([C@]2(O)C(=O)Nc3c(C(F)(F)F)cccc32)C1 244723830 MIFHKOHVBCPEAO-LKFCYVNXSA-N 314.307 2.535 0 50 DFAA Cc1ccc(C)c(CC(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 252522880 BISMYFWPFRCZSM-MBOZVWFJSA-N 324.424 2.869 0 50 DFAA Cc1noc(C)c1CN1CC(O)=C(c2nc3ccccc3[nH]2)C1=N 252538671 NCXRDXALUPJISS-UHFFFAOYSA-N 323.356 2.930 0 50 DFAA O=C(OCc1ccccc1)N1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 261508232 QQNQSSRECRSPPM-YPMHNXCESA-N 321.270 2.660 0 50 DFAA CCc1ccc(CCNC(=O)N2CCC3(CCO3)CC2)cc1 376590827 QQXOKSFLPIXRAM-UHFFFAOYSA-N 302.418 2.756 0 50 DFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)Nc1cnns1 299770154 POMSDPAGHVQCBO-LBPRGKRZSA-N 320.422 2.520 0 50 DFAA CC(C)(C)OC(=O)Nc1cnc(Br)cc1C(=O)O 725377013 ZYTROGSSKSGSPJ-UHFFFAOYSA-N 317.139 2.889 0 50 DFAA Clc1cnn(CCCN[C@@H]2CCN(c3ccccc3)C2)c1 584900798 GODPKEDNJILNIW-OAHLLOKOSA-N 304.825 2.795 0 50 DFAA CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cccc(O)c2F)C1 1362668582 VGICDHNWEMHKNN-CYBMUJFWSA-N 321.270 2.715 0 50 DFAA CC[C@H](c1ccccn1)N(C)C(=O)CCn1c(C)cccc1=O 952981233 CVVGAGIVOULBKV-MRXNPFEDSA-N 313.401 2.552 0 50 DFAA O=C(O)c1ccc(F)c2c1CN(C(=O)[C@@]13CCC[C@@H]1C3)CC2 630242295 ZJGIRSIIAKHJEQ-BMLIUANNSA-N 303.333 2.599 0 50 DFAA CS(=O)(=O)c1ccc(N2CCC[C@H](N3CCCC3)CC2)cc1 272981324 AYZJPNYZTUICSM-HNNXBMFYSA-N 322.474 2.545 0 50 DFAA CCN(Cc1cccs1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 275213045 AXBSLWVUIRUMGW-LSDHHAIUSA-N 319.430 2.608 0 50 DFAA CC(C)C1(C)CCN(CN2C(=O)C(=O)c3ccccc32)CC1 186884303 REWRIYFFARVELX-UHFFFAOYSA-N 300.402 2.932 0 50 DFAA O=C(NCC1CCN(CC(F)(F)F)CC1)NC1CCCC1 186902511 OQLNIVXJEOBMBQ-UHFFFAOYSA-N 307.360 2.503 0 50 DFAA COCCN(CC(F)(F)F)C(=O)N1CCc2ccccc21 170615141 GHLRUBAQERNMSN-UHFFFAOYSA-N 302.296 2.680 0 50 DFAA C[C@@H](NC(=O)c1cc(C(=O)O)co1)c1nc(C2CCCC2)no1 191660419 UEXWGQKNPWIEIM-MRVPVSSYSA-N 319.317 2.509 0 50 DFAA Cc1cccnc1C(F)(F)C(=O)N1CCO[C@@H]2CCCC[C@H]21 195361747 FHAJVTMJJVTDJN-CHWSQXEVSA-N 310.344 2.652 0 50 DFAA O=C(Nc1ccc(F)cc1F)N1CCN(c2ccncc2)CC1 198393915 JBLWHVUGEPVALI-UHFFFAOYSA-N 318.327 2.714 0 50 DFAA C[C@@H]1C[C@@H](C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)CC(C)(C)C1 585113848 CQXWTQGWEBTPPQ-BFYDXBDKSA-N 322.493 2.506 0 50 DFAA CCN(C)C(=O)c1cc(Br)nc(Br)c1 585125768 FHBQYPGFGAVCCX-UHFFFAOYSA-N 322.000 2.699 0 50 DFAA CC[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)nc1 794948284 OJBRZUCUTQQGBP-CABCVRRESA-N 303.406 2.826 0 50 DFAA CCOC1(C)CCN(CC(=O)NCc2ccc(C)s2)CC1 1615583334 XAVFGOSUGYIPJA-UHFFFAOYSA-N 310.463 2.564 0 50 DFAA O=S(=O)(N[C@H]1CCc2ncccc2C1)c1cccc(Cl)c1 1615586660 WPMWOFFDVCEETQ-ZDUSSCGKSA-N 322.817 2.571 0 50 DFAA CC1(C)CC2(CCC3(CC2)NC(c2ccncc2)=NO3)CO1 1615615673 QQPFEYIYLVMSMW-UHFFFAOYSA-N 301.390 2.819 0 50 DFAA CC(C)n1cnnc1CN(C)C1CCN(Cc2ccco2)CC1 1506400529 DQXJQBBETGCDED-UHFFFAOYSA-N 317.437 2.548 0 50 DFAA Cc1ccc(CN(C)CCCOc2ccc(C(N)=O)cc2)o1 1529178865 RUXLDHKKBCMYLT-UHFFFAOYSA-N 302.374 2.588 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C 2921477 PMYUXOBZZYRMQE-SNVBAGLBSA-N 319.232 2.829 0 50 DFAA CCNC(=O)c1ccnc(NCCc2csc(CC)n2)c1 1529151472 CKUNNJSWSRGWMQ-UHFFFAOYSA-N 304.419 2.505 0 50 DFAA O=S1(=O)CCC(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 130286443 GFQLKKSOGYZSSS-NEPJUHHUSA-N 313.385 2.522 0 50 DFAA O=C(CCOc1ccccc1)N1CCC[C@@]2(CCC[C@H]2O)C1 1704335551 OOPDPEUZJNHNPV-AEFFLSMTSA-N 303.402 2.609 0 50 DFAA Cc1ccc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)nc1 1775977780 MCDLFQNVUCUXNG-UHFFFAOYSA-N 305.341 2.611 0 50 DFAA Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc2n1C 19318892 OJUDIJXBZSAGOX-UHFFFAOYSA-N 323.440 2.712 0 50 DFAA O=C(c1cccs1)N1CCN(Cc2ccccc2F)CC1 19787748 ZORJUPPNFBBBQA-UHFFFAOYSA-N 304.390 2.845 0 50 DFAA COc1cnc(C)cc1C(=O)NCCCn1ncc2ccccc21 1857674398 GSKLGGBEKAFJCI-UHFFFAOYSA-N 324.384 2.568 0 50 DFAA CC(C)(C)[C@H]1CN(CCn2cnnc2)C[C@@H](c2ccccc2)O1 1857722089 BBKOESXBSXLCKC-DLBZAZTESA-N 314.433 2.766 0 50 DFAA CCCC[C@@H]1CN(Cc2cnc(OC)nc2)C[C@H](C2CC2)O1 1875242756 ABXLERPNTBLNRT-HZPDHXFCSA-N 305.422 2.655 0 50 DFAA Cc1c(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cnn1C 121864491 LKWSPZYSOGNRMI-MRXNPFEDSA-N 316.380 2.914 0 50 DFAA CCN1CCN(C(=O)c2cc(C)cc(C)c2)C[C@H]1c1ncc[nH]1 328614525 AHJIKUXHQGYWJY-INIZCTEOSA-N 312.417 2.546 0 50 DFAA Cc1ccccc1C1CCN(CC2(CS(C)(=O)=O)CC2)CC1 348085186 WQTMLHNSBBCFLJ-UHFFFAOYSA-N 321.486 2.999 0 50 DFAA O=C(c1ccc(Cl)o1)N(C[C@@H]1CCCO1)c1ccnnc1 585126028 LOQAPOOHJHWVPE-NSHDSACASA-N 307.737 2.549 0 50 DFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)c1ccc2c(c1)CCO2 846716013 JEMBOCWVOAAAQM-HZPDHXFCSA-N 323.348 2.665 0 50 DFAA CCN1CCCC[C@@H]1CN=c1cc(-c2ccccn2)nc(C)[nH]1 1875255391 SIFVUKOAJJTEHQ-OAHLLOKOSA-N 311.433 2.555 0 50 DFAA CC[C@]1(COC)NC(=O)N(c2cccc([C@H]3CC3(F)F)c2)C1=O 1875283163 IEQLTFYHMWPNPV-IUODEOHRSA-N 324.327 2.661 0 50 DFAA Cc1ccc(Sc2ccnc(N3CN(C)C(=O)[C@H]3C)n2)cc1 1875407582 DGBRLMXWPNWIEG-GFCCVEGCSA-N 314.414 2.561 0 50 DFAA COc1ccc([C@H](C)[C@H](C)NC(=O)Cc2c(C)n[nH]c2C)cc1 888093248 WCSMEHJBBWVYDP-NEPJUHHUSA-N 315.417 2.886 0 50 DFAA C[C@@H](CC(=O)NC[C@@H](O)c1ccc(O)cc1)c1ccc(F)cc1 1775990504 GQNOSZHJFAGIJY-YVEFUNNKSA-N 317.360 2.875 0 50 DFAA CC1(C)COC(c2cnccc2C(=O)NCc2ccccc2)=N1 336795 NBBXNCISQXQPLU-UHFFFAOYSA-N 309.369 2.567 0 50 DFAA COc1ccc2c(N[C@H]3CCc4nc(C)nn4C3)cc(C)nc2c1 2325780418 CULCQIXQFNQRLT-ZDUSSCGKSA-N 323.400 2.879 0 50 DFAA O=C(N[C@@H]1CCCC12CCCC2)N1CCCN2CCC[C@H]2C1 2325785163 GGURHPMZQKGKON-JKSUJKDBSA-N 305.466 2.979 0 50 DFAA Cc1cc(=N)[nH]cc1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 2325821207 UFUJBAIXNKZEMB-NSHDSACASA-N 317.776 2.961 0 50 DFAA O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H](O)c1cccc(Cl)c1 2325875329 OAFXWVSINZPIMF-HJPIBITLSA-N 310.777 2.874 0 50 DFAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1C 563090 JOBNRKDDCVVKOZ-UHFFFAOYSA-N 323.345 2.722 0 50 DFAA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)no1 1053978 KOQIPFBJGKQBDD-UHFFFAOYSA-N 319.386 2.665 0 50 DFAA CC(C)c1nc(CN(C)Cc2ccn3ncnc3c2)cs1 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310.357 2.758 0 50 DFAA CC(C)CN(Cc1ccsc1)C(=O)NCCc1ncc[nH]1 534656859 OLHUMAXGQDUKMY-UHFFFAOYSA-N 306.435 2.882 0 50 DFAA Cc1nc(N[C@@H]2CCCN(C(=O)C(C)C)C2)c2ccccc2n1 534651655 HPNQYAHUVLOOKH-CQSZACIVSA-N 312.417 2.997 0 50 DFAA CC(C)(C)OC(=O)N[C@]1(c2ccc(C#N)cc2)C[C@@](C)(O)C1 390803382 UGSZKWOGVUXSFO-QAQDUYKDSA-N 302.374 2.823 0 50 DFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2cncs2)c1 822376174 USZYWQQHJIVYPO-SNVBAGLBSA-N 301.371 2.911 0 50 DFAA Cc1nc2ccc(CNC(=O)Cc3sc(C)nc3C)cc2[nH]1 670450241 VQWVXVWSYLAULP-UHFFFAOYSA-N 314.414 2.804 0 50 DFAA C[C@H]1CN(C(=O)NCCc2ccccc2)CC[C@]1(O)C1CCC1 1565516063 RUXTZGJOIYMGKQ-HNAYVOBHSA-N 316.445 2.812 0 50 DFAA CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)CCO1 273850726 LGVZLFSRJNUJKY-RYUDHWBXSA-N 313.344 2.994 0 50 DFAA CN(CCOCC1CC1)C(=O)c1n[nH]c2ccc(Cl)cc12 170617956 KWCPOSMOABPIAU-UHFFFAOYSA-N 307.781 2.715 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)Nc3cn(C)nc3C)C2)cc1 189695525 HIEWGTFGPBCDIU-CQSZACIVSA-N 314.389 2.759 0 50 DFAA COc1ccc2c(c1)CCN2C(=O)c1nc2cccnc2s1 193915316 MBCCMODSNVIVDM-UHFFFAOYSA-N 311.366 2.903 0 50 DFAA CCn1cc(CC(=O)N[C@H]2CCCN(C)c3ccccc32)cn1 654196487 PQSBNCNRRHXUQI-INIZCTEOSA-N 312.417 2.533 0 50 DFAA COC(=O)CCC1=[N+]2C(=Cc3c(C)cc(C)n3[B-]2(F)F)C=C1 198291660 YKZNONDRHXQSKM-UHFFFAOYSA-N 306.121 2.659 0 50 DFAA in-vitro Cc1cccc([C@@H]2CCCN2C(=O)COCc2nccn2C)c1 666931494 WTYNOVUKZICMMZ-INIZCTEOSA-N 313.401 2.609 0 50 DFAA COC(=O)c1ccoc1CN1CC=CCN1C(=O)OC(C)(C)C 585133458 INMVTWKKOZGJJX-UHFFFAOYSA-N 322.361 2.590 0 50 DFAA Cc1nc(NCCc2nnc(C)n2C)c2c(C)c(C)sc2n1 683534839 FIDKHSWMKJZYDR-UHFFFAOYSA-N 316.434 2.708 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)N2CC[C@H](c3ccccn3)C2)c1 798479578 HNQIKWJCJSJRSS-ZDUSSCGKSA-N 320.389 2.707 0 50 DFAA CCOc1cc(CN2C[C@H](O)[C@@H](F)C2)cc(Cl)c1OCC 1616107584 FFGKHMCXMOMQQB-STQMWFEESA-N 317.788 2.652 0 50 DFAA Cc1nc(CN(C)Cc2nc3ccc(F)cc3[nH]2)n(C)c1C 1506421261 FWFZFPQGZBJTCI-UHFFFAOYSA-N 301.369 2.684 0 50 DFAA Cc1cc([C@H](C(=O)O)N2CCC(c3cc[nH]n3)CC2)ccc1F 1529168218 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FOZQVNZYXQQWRT-UHFFFAOYSA-N 305.353 2.524 0 50 DFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 233236 IOLUJWPGKYFKOB-KGLIPLIRSA-N 319.357 2.693 0 50 DFAA Cc1cc([C@H]2CN(c3ncnc(N)c3Cl)CCO2)ccc1F 302823346 FOFYHIGHDDLWOU-GFCCVEGCSA-N 322.771 2.738 0 50 DFAA C[C@H](c1ccc(F)cc1)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229922995 LFENINAJDYFKGL-DGCLKSJQSA-N 316.380 2.588 0 50 DFAA Cc1ccccc1C(=O)NCC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 120455543 DMWJWFCMAMETSW-AUUYWEPGSA-N 314.429 2.764 0 50 DFAA Cn1c(C(=O)NC[C@H]2CCC[C@@H]2O)c(Cl)c2ccccc21 266273871 NOAKOKDPXGJXOB-MFKMUULPSA-N 306.793 2.723 0 50 DFAA CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1CO)c1cccs1 267107589 WIUZLQVZJGWDPV-QWHCGFSZSA-N 310.463 2.876 0 50 DFAA CCC(=O)C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)O 1875323398 HCQWNCCDKVOLIH-JTQLQIEISA-N 318.156 2.546 0 50 DFAA Cc1ccnc([C@@H](C)NC(=O)c2cc(C)nc3c2nc(C)n3C)c1 1875309295 FULLASKFAHKJLH-GFCCVEGCSA-N 323.400 2.780 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2cnc3ccccc3n2)C1 888102719 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2356143937 CXIQTVQSUGXQTC-UHFFFAOYSA-N 301.386 2.925 0 50 DFAA CC(C)c1ccc(CNC(=O)C(=O)Nc2nccs2)cc1 3005585 LSRKMRLIAOQYAC-UHFFFAOYSA-N 303.387 2.521 0 50 DFAA CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccc(C)cc1 3666375 MWLRMTDZZLJHNI-HNNXBMFYSA-N 304.434 2.944 0 50 DFAA COc1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 6741617 XXELHMWBJVTLTN-UHFFFAOYSA-N 300.314 2.746 0 50 DFAA COc1ccccc1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 6742707 MLZNYUVTRHOJPH-DLBZAZTESA-N 304.342 2.723 0 50 DFAA COc1ccc2c(c1)OCCN(c1cc(OC(C)C)ncn1)C2 413299774 UQUAAGXNNSCKBO-UHFFFAOYSA-N 315.373 2.671 0 50 DFAA CC(C)(C)OC1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 225471780 QLVGFFUBWKOTCC-UHFFFAOYSA-N 319.401 2.878 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc23)C1 225445803 CSUVVOGSEXXOCR-NSHDSACASA-N 318.760 2.825 0 50 DFAA Cc1cc(C)cc(NC(=O)CC(=O)N(C)[C@H](C)c2ccon2)c1 55343507 COHGCCLTUHPZRQ-CYBMUJFWSA-N 315.373 2.840 0 50 DFAA Cc1ccc(NCCNC(=O)c2ccc(C(C)(C)C)cc2)nn1 57791658 QCENJBGNPOLXBO-UHFFFAOYSA-N 312.417 2.924 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)NCCc2cccc(Cl)c2)[C@H]2C=C[C@H]1C2 100590424 OLXZZHLNFZGPRY-JURCDPSOSA-N 319.788 2.522 0 50 DFAA CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 420819429 LQWKXSUWWSLGJW-TUVASFSCSA-N 309.454 2.546 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)CO[C@@H]2CCCC[C@H]2C)n1 248000730 CWXRTDOLHWOITP-IVMMDQJWSA-N 307.438 2.600 0 50 DFAA O[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1ccc2c(c1)OCO2 67723054 QVHBQUJGAKBXKO-DLBZAZTESA-N 311.381 2.766 0 50 DFAA COc1ccc(-c2c[nH]c([C@@H]3CC(=O)N(C(C)C)C3)n2)c(F)c1 23214686 BXHNHFWNPTWWHN-LLVKDONJSA-N 317.364 2.949 0 50 DFAA C/C=C(\CC)CN1CC[C@@H](CNC(=O)c2cccc(N)c2)C1 67821664 FEZNITVZLBSDOA-GAEAOFGJSA-N 301.434 2.677 0 50 DFAA CCc1noc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 229133787 DLDQGZJTUVYGTP-BXUZGUMPSA-N 305.353 2.906 0 50 DFAA COc1ccc([C@@H]2CC(=O)Nc3snc(C)c32)c(OC)c1 65403685 GHOCNOAMJXRGRL-NSHDSACASA-N 304.371 2.943 0 50 DFAA CCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1F 4987082 SDIKKFHDCOCNDU-CQSZACIVSA-N 316.336 2.659 0 50 DFAA 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300.402 2.723 0 50 DFAA CC(C)(C)CN(C(=O)COC[C@@H]1CCCO1)c1ccccn1 585125545 WWAHIQIZFKDRGT-AWEZNQCLSA-N 306.406 2.656 0 50 DFAA O=C(CCn1cncn1)N[C@H]1CCCc2c(F)cc(Cl)cc21 1615003500 QGYLIMMDJAJVSK-AWEZNQCLSA-N 322.771 2.655 0 50 DFAA O=C(O)c1c(N2[C@H]3CC[C@@H]2C[C@H](O)C3)noc1-c1ccccc1 1704307908 MRXRJKGSGLSARG-ITGUQSILSA-N 314.341 2.532 0 50 DFAA Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 6314763 SOIXCQJHVUBIRX-UHFFFAOYSA-N 306.225 2.834 0 50 DFAA in-vitro O=C(NC1CCC1)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772818410 DGJYILOWILRXIL-GFCCVEGCSA-N 313.426 2.979 0 50 DFAA COCc1nnc(N2CCC[C@@H](COc3cccc(F)c3)C2)o1 1772711149 FTDIDEDHFUUIJE-GFCCVEGCSA-N 321.352 2.651 0 50 DFAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 5008664 BPMPPHQSGYQWRY-HNNXBMFYSA-N 318.373 2.666 0 50 DFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1cccc2ccccc12 5739924 LFYDLLXEUCBXKS-LBPRGKRZSA-N 304.367 2.570 0 50 DFAA CCN1CCN(Cc2ccc(OC)c(Br)c2)CC1 19537208 SZXARQDLWXQEHH-UHFFFAOYSA-N 313.239 2.595 0 50 DFAA CCC[C@@H](CC(=O)OCC)Nc1ncnc2ccc(C)nc12 1857676557 QLPHXDYITJKOEG-LBPRGKRZSA-N 302.378 2.867 0 50 DFAA C[C@@H]1CCCN(C(=O)Cc2coc(-c3cccs3)n2)[C@H]1CN 237412650 NIQMNVWBNRUVGK-YPMHNXCESA-N 319.430 2.531 0 50 DFAA Cc1cc(C)c(CNC(=O)N2CC[C@@H](CN(C)C)C2)c(C)c1 129776129 KHZFBWDXSYVABD-INIZCTEOSA-N 303.450 2.705 0 50 DFAA C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 240412855 FOIRLJVZPCQAGR-RVSPLBMKSA-N 319.376 2.731 0 50 DFAA CCc1nnc(CNC(=O)[C@H]2COc3ccc(Cl)cc32)s1 355672591 NURVCQGODWXPQS-JTQLQIEISA-N 323.805 2.546 0 50 DFAA CO[C@@H]1CC[C@H](NC(=O)C(C)(C)COCc2ccccc2)C1 252497235 QCBXMQIXPDRJIX-JKSUJKDBSA-N 305.418 2.913 0 50 DFAA COCCC1(c2noc([C@@]34CCCC[C@@H]3NCC4)n2)CCC1 904733481 PBBYIUIEQBYELB-SUMWQHHRSA-N 305.422 2.702 0 50 DFAA CN(C[C@H]1CCNC1)c1nc(-c2cccnc2)nc2ccccc12 1875298600 GZXBPJYSNXFNSL-AWEZNQCLSA-N 319.412 2.738 0 50 DFAA CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H]2C[C@H]3C[C@H]2C[C@H]3N)c1 1875354266 SKUCGDCDAHIBPK-KTHDHXGHSA-N 316.445 2.819 0 50 DFAA C=CC(=O)N(C[C@@H]1CCSC1)C[C@@H]1COc2ccccc21 1875382027 NXLRFVRTPHFDOO-UONOGXRCSA-N 303.427 2.930 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1c2ccccc2O[C@@H]1C 899785576 IBKIZOJHDFPGPK-XHBSWPGZSA-N 305.374 2.762 0 50 DFAA Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1Cl 4753736 RWABCQWHONPRCM-UHFFFAOYSA-N 303.793 2.738 0 50 DFAA CCOC(=O)c1ccc(-n2nc(C(C)=O)c(C(C)=O)c2C)cc1 15084672 GYXIQKBTOOQVMG-UHFFFAOYSA-N 314.341 2.763 0 50 DFAA O=C(O)[C@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CCO1 2325752266 RSGSXJYVWVFYEV-QGZVFWFLSA-N 313.353 2.764 0 50 DFAA c1ccc2oc(CSc3nnnn3[C@H]3CCOC3)cc2c1 2325772733 WTCMTKLKLBXSKS-NSHDSACASA-N 302.359 2.673 0 50 DFAA CCN1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)[C@H](C)C1 910291050 CDWBPDKMBOJVAD-CYBMUJFWSA-N 315.417 2.733 0 50 DFAA COC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1 194581 OGTRRGBNCYYQRX-UHFFFAOYSA-N 320.395 2.662 0 50 DFAA O=C(NC(=S)NCCc1ccccc1)c1ccccc1F 316111 CSSQWDRMQXHMMY-UHFFFAOYSA-N 302.374 2.673 0 50 DFAA O=C(Nc1ccncc1)c1cccc(I)c1 327297 QRCDCPGYDROEGT-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 380129 IIQVVKGARVTVFT-UHFFFAOYSA-N 311.769 2.646 0 50 DFAA CCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1 397462 LPFJVFYQRJNNHQ-UHFFFAOYSA-N 319.382 2.908 0 50 DFAA Cc1ccc(N(C(=O)c2ccco2)[C@H]2C=CS(=O)(=O)C2)cc1 2496996 MJXUEJBNEDYNFF-AWEZNQCLSA-N 317.366 2.546 0 50 DFAA COc1ccc([C@H](OC)c2cc3c(cc2O)OCO3)c(OC)c1 3053415 YIUNQRWXHUBPIF-KRWDZBQOSA-N 318.325 2.874 0 50 DFAA CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 3908118 QRKKYBMXUGHEKI-JTQLQIEISA-N 304.346 2.887 0 50 DFAA CC(C)Cc1cc(-c2nc(CCc3ccccc3)n[nH]2)nc(=O)[nH]1 101817790 QWWBSTOZRPRWHQ-UHFFFAOYSA-N 323.400 2.539 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccncc1Cl 246587659 OYAYTJMRJGILRA-BIMULSAOSA-N 308.765 2.593 0 50 DFAA O=C(CCN1CC[C@H]2OCCC[C@H]2C1)Nc1cccc(F)c1 246659628 LOPJHPSTWFTRLZ-XJKSGUPXSA-N 306.381 2.655 0 50 DFAA Cc1ccc2nc(C)c(C(=O)N3CC(n4cccn4)C3)cc2c1 55343086 ATSSEAYDNFQEQG-UHFFFAOYSA-N 306.369 2.745 0 50 DFAA CCOc1cc(CN2CCN3CCC[C@@H]3[C@@H]2C)ccc1OC 22078272 SEAXPLMJQOALBN-GOEBONIOSA-N 304.434 2.762 0 50 DFAA Cc1cc(C)c(C)c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1C 55036797 GVGMZBPVUNVTJA-KRWDZBQOSA-N 324.424 2.747 0 50 DFAA CCNC(=O)[C@H](C)NC1CCN(c2ccc(C)c(Cl)c2)CC1 65525954 BGWSZCNXIMQPKU-ZDUSSCGKSA-N 323.868 2.731 0 50 DFAA CC[C@@H](C)Oc1ccccc1OCCCN1CCN(C)CC1 20653213 MEYYLFHBEJKAMI-MRXNPFEDSA-N 306.450 2.880 0 50 DFAA Cc1cccc(-n2nc(C)nc2Cn2c(=O)oc3ccccc32)c1 65508358 VBFAMUVKSOSJRG-UHFFFAOYSA-N 320.352 2.840 0 50 DFAA Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1 412572 PXNDJGOFQMGBHQ-UHFFFAOYSA-N 306.366 2.562 0 50 DFAA O=C([C@H]1CCCOC1)N1CCC[C@@H]1COc1ccc(F)cc1 328586415 QDZKHVGGGLPTNG-DZGCQCFKSA-N 307.365 2.622 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)cc1 5029770 IYIYUPVWWMYXCR-INIZCTEOSA-N 314.316 2.966 0 50 DFAA NC1=Nc2nc3ccccc3n2[C@H](c2cc(F)c(F)cc2F)N1 128946850 HPZJXNJZOUTAMF-CYBMUJFWSA-N 317.274 2.550 0 50 DFAA Cc1cscc1NC(=O)C(=O)N(C)[C@H](C)c1cccnc1 126256738 YOPGXYPNMGOCPT-LLVKDONJSA-N 303.387 2.610 0 50 DFAA CCc1nnc(CN2CCC[C@H](OCc3ccccc3F)C2)o1 253419634 AKIAEEVOGMLARZ-AWEZNQCLSA-N 319.380 2.952 0 50 DFAA CC(C)n1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cn1 77287559 ZIEKPNLJIYMIGL-QGZVFWFLSA-N 312.417 2.593 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccn1 237130303 FCVQHFRNUUYAKK-AWEZNQCLSA-N 311.385 2.698 0 50 DFAA COc1ccc(C)cc1CCNC(=O)C[C@H](N)c1ccccc1 237191327 VSZAXTGOJKDMPB-KRWDZBQOSA-N 312.413 2.752 0 50 DFAA O=C(NC[C@]1(O)CCc2ccccc21)c1ccc2cc[nH]c2c1 158801524 ORQFMYFQHUBRRS-LJQANCHMSA-N 306.365 2.732 0 50 DFAA Cc1cnc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)s1 172709116 WQZNIOZJBIUFMV-HNNXBMFYSA-N 315.442 2.732 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286070095 CKDZVRGJXXMUQI-NUEKZKHPSA-N 323.820 2.650 0 50 DFAA COC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)nc1C 242273571 YEAAVAOEWCWALW-ARFHVFGLSA-N 318.417 2.697 0 50 DFAA CC[C@@H]1CCCCN1CC(=O)N1CC(Oc2ccc(F)cc2)C1 221318806 BKBUKDWDJGJXHE-OAHLLOKOSA-N 320.408 2.680 0 50 DFAA Cc1cc(=O)cc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)[nH]1 426712596 HESQADVRXAMFLI-MRXNPFEDSA-N 310.397 2.949 0 50 DFAA CN(C)c1ccc(CN2CCC[C@](CO)(CC3CC3)C2)cn1 91526858 WBQRBRFCUMSMRV-SFHVURJKSA-N 303.450 2.522 0 50 DFAA c1ccc2c(c1)C[C@@H](CN1CCC3(CCNCC3)C1)CCO2 95519748 YKMHAPJCIKWKRX-INIZCTEOSA-N 300.446 2.703 0 50 DFAA CC(C)(C)c1cc(CNC(=O)[C@@H]2COc3ccccc3C2)[nH]n1 95529015 FOUWFSQHQISGGT-ZDUSSCGKSA-N 313.401 2.575 0 50 DFAA CC[C@]1(CO)CCCN(C(=O)Cc2cc(F)c(C)cc2F)C1 295812776 ULHFWJOWHZIVHJ-KRWDZBQOSA-N 311.372 2.827 0 50 DFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1nc(-c2ccsc2)no1 296251196 NTSGBNDTRIMYKJ-RTXFEEFZSA-N 305.403 2.701 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@H](CCC(=O)O)C1 299743841 MPLWBDQXCMBCQP-KFWWJZLASA-N 311.422 2.685 0 50 DFAA CC(C)S(=O)(=O)NCc1cc(-c2ccccc2Cl)on1 534648024 WUMDSZUWWKOYFB-UHFFFAOYSA-N 314.794 2.823 0 50 DFAA CN1CCN(C2(CN=c3cc[nH]c4ccccc34)CCCC2)CC1 584896453 KXDMAZDUFJDQKN-UHFFFAOYSA-N 324.472 2.629 0 50 DFAA CC1(C)C[C@@H](CN2CCN(C3CCCCC3)C(=O)C2)CCO1 670460701 ZBMQCQZRCBTUFJ-HNNXBMFYSA-N 308.466 2.669 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)c2ccc(F)cc2)C1 958528605 WHTHMECBLHHBPP-PBHICJAKSA-N 324.396 2.588 0 50 DFAA COc1ncc(CNC2CCN(c3cccc(C)c3)CC2)cn1 952981948 UWRLFLYQBCMNGS-UHFFFAOYSA-N 312.417 2.552 0 50 DFAA Cc1nc(C)c([C@H](C)N(C)C(=O)c2cncc(C(=O)O)c2)s1 630117588 WIJZTMKPKRANND-VIFPVBQESA-N 319.386 2.686 0 50 DFAA CCC1(NS(=O)(=O)c2cc(C)c(C)s2)CCOCC1 408096938 HKRZLJLKIZBEDD-UHFFFAOYSA-N 303.449 2.602 0 50 DFAA CN(C)C(=O)[C@H](NC[C@H]1CCO[C@@H]1C(C)(C)C)c1ccccc1 189232507 DEKULYMUQZQKEK-ZACQAIPSSA-N 318.461 2.857 0 50 DFAA CCOC[C@@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)C(C)C 191793731 ONNCNVNPGXNZNH-OAHLLOKOSA-N 319.405 2.754 0 50 DFAA O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCC(c2ccon2)CC1 660916380 HHSGRJGDUYQCSC-CGTJXYLNSA-N 323.396 2.902 0 50 DFAA C[C@H](CC(=O)N1C[C@H](O)C[C@H]1c1ccccc1)c1ccncc1 665977870 FSEVTAJDILWREN-OLMNPRSZSA-N 310.397 2.910 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@H](N)C12CCC2 1615555367 RWLJKNUFXBGCBM-VHSXEESVSA-N 302.296 2.607 0 50 DFAA CC[C@H](O)CCN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC 1615570887 BQPVTMIXQQHXCL-ILXRZTDVSA-N 314.470 2.773 0 50 DFAA Cc1cc(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)sn1 1652593392 XEOBUYQPERUAKM-LLVKDONJSA-N 301.371 2.809 0 50 DFAA CC(C)c1nnsc1CNC(=O)/C=C/c1cc(CO)cs1 1506406022 PIADVJNEUJUDNC-ONEGZZNKSA-N 323.443 2.545 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(C(C)=O)s2)s1 1529120785 JXFXVYVCQYMPAP-ZETCQYMHSA-N 311.388 2.762 0 50 DFAA CCNC(=O)c1ccnc(NCC(C)(C)N2CCC(C)CC2)c1 1704350669 CPWVICOIZKYTLG-UHFFFAOYSA-N 318.465 2.754 0 50 DFAA Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C 1772701017 APSMPYXEXFEZCT-VXGBXAGGSA-N 321.808 2.875 0 50 DFAA COc1cc2cc(NC(C)=O)cc(NCCCO)c2cc1OC 5260763 UFRHOFUIMPMQJH-UHFFFAOYSA-N 318.373 2.610 0 50 DFAA CCNc1ncnc2sc(C(=O)N[C@@H](CC)COC)c(C)c12 11869585 IFLFVKUJFWKMOX-JTQLQIEISA-N 322.434 2.586 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 18207613 KVXPPXDWVITJJU-TXEJJXNPSA-N 306.362 2.504 0 50 DFAA Cc1coc(C)c1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857528656 DBWTYRUNAKSWDE-KOLCDFICSA-N 303.362 2.572 0 50 DFAA O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CCc2cn[nH]c2C1 119819178 JFGLKEKXEFBAGR-MLGOLLRUSA-N 313.376 2.848 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 238096927 LYOXICPDQBCROP-VIFPVBQESA-N 320.732 2.542 0 50 DFAA CCOc1cc(NC(=O)c2cn(C(C)(C)C)nn2)ccc1OC 241439906 NNJOAHTWMZXJGY-UHFFFAOYSA-N 318.377 2.693 0 50 DFAA C[C@H]1C[C@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CC(C)(C)C1 378556403 ZYCQPWSKFBPTNZ-JSGCOSHPSA-N 304.438 2.973 0 50 DFAA CCc1ccc(S(=O)(=O)N2CCc3cccc(N)c32)cc1 161606871 UUQSIGROSHDKMM-UHFFFAOYSA-N 302.399 2.583 0 50 DFAA C[C@@H](NC(=O)c1ccsc1C(F)(F)F)c1ccnn1C 828891989 DRLBJCNAKYVJKP-SSDOTTSWSA-N 303.309 2.991 0 50 DFAA Cc1nc(CN2CCC[C@@H]2c2cncc(Br)c2)no1 932255639 MBZKDBCQHYYKLH-GFCCVEGCSA-N 323.194 2.873 0 50 DFAA CCc1ccc(N(CC2CC2)C(=O)c2cc(C(N)=O)c[nH]2)cc1 836834694 BPNNGJNJONFJDV-UHFFFAOYSA-N 311.385 2.733 0 50 DFAA COc1cccc2sc(NC(=O)[C@H]3NCC34CCCC4)nc12 852778683 SHDALPVRDBQPSX-CYBMUJFWSA-N 317.414 2.776 0 50 DFAA CCOc1ccccc1OCc1nnc(Cc2cc(C)on2)o1 952874725 WCPAHXODZLWCPD-UHFFFAOYSA-N 315.329 2.935 0 50 DFAA CN(C)C(=O)[C@@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 952994853 VIYNSGPIOCWECN-MRXNPFEDSA-N 320.477 2.920 0 50 DFAA COCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)on1 1875276299 YASNWPKLFZMVEF-ZANVPECISA-N 318.295 2.626 0 50 DFAA COc1ccc(C[C@@H]2CCN2C(=O)C2(C)CCN(C)CC2)cc1 1875283222 JWLAHUUFFPBXDL-INIZCTEOSA-N 316.445 2.571 0 50 DFAA CN(C)C(=O)c1cccnc1N1CCC(c2ccccn2)CC1 1875252644 ALZRDRXNNKXLCV-UHFFFAOYSA-N 310.401 2.562 0 50 DFAA Cc1cc(C(=O)O)ccc1C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 1875277571 RJEZOWPMAWOYBG-FERZIJSQSA-N 311.381 2.977 0 50 DFAA Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)nn1 885661437 CFXDQUJUQSRCHM-AWEZNQCLSA-N 313.357 2.632 0 50 DFAA CC(C)c1nccn1CCNc1ncc(Br)cn1 895987444 GEEVLWDKIQKTDD-UHFFFAOYSA-N 310.199 2.671 0 50 DFAA Cc1nc2c(s1)[C@H](NC(=O)c1cnc(N)c(Cl)c1)CCC2 2325729966 GBARRMJNGFYZEZ-LLVKDONJSA-N 322.821 2.890 0 50 DFAA C[C@@](O)(CNCc1ccc2c(c1)CCCC2)[C@@H]1CCCOC1 2325788982 XMGXGRJCJIFWET-RTBURBONSA-N 303.446 2.833 0 50 DFAA O=C(Cn1ccc2ccccc21)NCCn1cnc2ccccc21 142475413 ORJXFKFLXXDVMY-UHFFFAOYSA-N 318.380 2.807 0 50 DFAA CCOC(=O)c1csc(Cn2cnc(Cl)c2Cl)n1 161038 DNYYFIVLIFBMGF-UHFFFAOYSA-N 306.174 2.871 0 50 DFAA COc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1O 187590 YBULROUUVZPJIH-SFHVURJKSA-N 315.369 2.653 0 50 DFAA COc1ccc(C(=O)NCc2ccccc2OC)c(OC)c1 298984 FCVUILRQHAJGTP-UHFFFAOYSA-N 301.342 2.642 0 50 DFAA O=C1NCCC[C@]12CCCN2Cc1ccccc1C(F)(F)F 2356155490 FSJUVXAWSSFHSM-HNNXBMFYSA-N 312.335 2.950 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 6700839 LPMVWXMWBSZJFR-ZDUSSCGKSA-N 316.401 2.815 0 50 DFAA COc1ccc([C@@H](C)N(C)C(=O)NCCN(C)C(C)C)cc1 102062181 YBQGVJRPLBWHFY-CQSZACIVSA-N 307.438 2.738 0 50 DFAA COCCOc1ccccc1C(=O)Nc1cccc(OC)c1 8722914 RPUMYUWDNNYNCG-UHFFFAOYSA-N 301.342 2.973 0 50 DFAA CC(=O)c1ccccc1NC(=O)CN1CCSCC[C@@H]1C 225667563 GUWPUUNFDRBWSA-LBPRGKRZSA-N 306.431 2.655 0 50 DFAA CC(=O)Oc1cccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)c1 101355536 AOGSLLJXHOPKLN-KGLIPLIRSA-N 319.744 2.634 0 50 DFAA CC(C)C(=O)N1CCC(NCCOc2ccccc2Cl)CC1 65465658 IDQNMMAUKHDOKI-UHFFFAOYSA-N 324.852 2.955 0 50 DFAA CCNc1ccnc(N2CCC[C@@H](c3nc(C(C)C)no3)C2)n1 65508371 CXMSIVFGNMJSHL-GFCCVEGCSA-N 316.409 2.799 0 50 DFAA O=C(c1ccncc1Cl)N1CC[C@@H](c2nc(C3CC3)no2)C1 347412643 PZIKOBZCZPLAQG-SNVBAGLBSA-N 318.764 2.625 0 50 DFAA CC(C)n1ccnc1CN1CCC[C@@H](C(=O)c2ccccn2)C1 67674259 YQUAJTXONFCYDP-OAHLLOKOSA-N 312.417 2.954 0 50 DFAA O=C(CCN1CCOCC1)c1ccc(N2CCCCC2)cc1 25559186 UZLRRSOIHDFRBI-UHFFFAOYSA-N 302.418 2.582 0 50 DFAA CN1CCC=C(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 65404261 NQDNEOHCGPKKQI-UHFFFAOYSA-N 322.474 2.524 0 50 DFAA Cc1ccccc1Cn1ccc(NC(=O)c2cn(C)nc2C)n1 2764672 RDMWAOVIOYLZBD-UHFFFAOYSA-N 309.373 2.534 0 50 DFAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)co1 331671054 UTUQTEKLTCVTSS-WFASDCNBSA-N 307.296 2.814 0 50 DFAA CCOC(=O)C[C@@H]1CCCCN1Cc1nnc(-c2ccco2)o1 72149737 VBXMHZYWTJTZCV-LBPRGKRZSA-N 319.361 2.637 0 50 DFAA CC(C)(C)OCc1ccccc1C(=O)NC[C@H]1CCC[C@@H]1O 358400853 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CCC[C@H](NCc1cocn1)C(=O)N1CCc2sccc2C1 192304710 BXCGCTWRQAIBFN-AWEZNQCLSA-N 319.430 2.579 0 50 DFAA CC(C)n1ccc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)n1 653330572 HFXDLGSAEVGHKA-DZGCQCFKSA-N 313.357 2.507 0 50 DFAA CCOc1cccc(NC(=O)c2cncc(-c3cnn(C)c3)c2)n1 673730665 NCJXGGDZDIYLPA-UHFFFAOYSA-N 323.356 2.528 0 50 DFAA CCCn1cc(C(=O)NC(C)(C)c2cc(C(F)F)on2)cn1 1615003245 IKOSUJBEWRAXFD-UHFFFAOYSA-N 312.320 2.884 0 50 DFAA C[C@@]12C[C@@H](NC(=O)N1CCCO)c1c(ccc3ccccc13)O2 1615612239 ARVXLSBCCBCXIY-RDTXWAMCSA-N 312.369 2.787 0 50 DFAA CCc1nc(CN2CCc3[nH]c4ccc(OC)cc4c3C2)no1 1506403363 OGFVSHPLPKUEHW-UHFFFAOYSA-N 312.373 2.680 0 50 DFAA CNc1nc(NC[C@H]2CCCN(C3CCCC3)C2)ncc1F 1506398202 XCOAMPOUSPRLNB-GFCCVEGCSA-N 307.417 2.724 0 50 DFAA Brc1ccn2ncc(I)c2c1 218448586 YNUNHMFPOBWUGX-UHFFFAOYSA-N 322.931 2.701 0 50 DFAA in-vitro COc1ccc(NC(=S)NCc2cccnc2)c(OC)c1 13658060 BTIJGQCIDADJDT-UHFFFAOYSA-N 303.387 2.585 0 50 DFAA COc1cccc(-c2nc(CC(=O)Nc3ccccc3)no2)c1 16578958 XXSSKORZRKEILG-UHFFFAOYSA-N 309.325 2.926 0 50 DFAA O=C(Nc1cccnc1)C1CCN(C(=O)c2cccs2)CC1 16661429 VTZUGONQWLOWLC-UHFFFAOYSA-N 315.398 2.634 0 50 DFAA CC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 19447985 MYDPRFCMOSABMU-UHFFFAOYSA-N 312.413 2.771 0 50 DFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1 19637984 SCHYNEBURMLCDS-INIZCTEOSA-N 315.369 2.658 0 50 DFAA COc1cccc(SCC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 155846792 ZNXMCNQPSZGEON-LLVKDONJSA-N 319.430 2.566 0 50 DFAA CN1Cc2cc(-c3ncccc3C(=O)N3CCCC3)ccc2C1=O 1875244075 LKFVHKUFWBHWNQ-UHFFFAOYSA-N 321.380 2.570 0 50 DFAA CS(=O)(=O)c1ccc(-c2nc(-c3cccs3)no2)cc1 109459849 OBBSGGWUGYXOAY-UHFFFAOYSA-N 306.368 2.869 0 50 DFAA CC(C)c1ccc(-n2nnc(C(=O)NC3CCCC3)c2N)cc1 16651406 MCCBXMMGJCLONS-UHFFFAOYSA-N 313.405 2.645 0 50 DFAA CCOc1nc2cc(NC(=O)CCc3cnn(C)c3)ccc2o1 585087753 NGDBSOLWZVNJFP-UHFFFAOYSA-N 314.345 2.531 0 50 DFAA Cn1cc(Cl)c(C(=O)N2CCC(c3cscn3)CC2)n1 585123843 FIPHSJWPFVTVFS-UHFFFAOYSA-N 310.810 2.550 0 50 DFAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ncccc3c2)C1 393330533 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2.571 0 50 DFAA O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@@H]1CCCO1 4783840 JMFQIGHQFLQFMQ-INIZCTEOSA-N 316.401 2.867 0 50 DFAA COC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(CSC)o1)CC2 2100547594 LRVSFWFJJQLTML-LBPRGKRZSA-N 323.414 2.558 0 50 DFAA C[C@@]12CC[C@H](O)[C@@H](C1)N(C(=O)NC[C@H]1CCC[C@@H]1C1CC1)C2 2325794639 LFDDBAZGLWEVPR-MAPUTHEBSA-N 306.450 2.758 0 50 DFAA C[C@H]1Cc2cc(C(=O)NCc3cccc4[nH]ncc34)ccc2CN1 2325820869 WXOCMFPCSCEMLP-LBPRGKRZSA-N 320.396 2.527 0 50 DFAA COc1cc(C(=O)O[C@H]2CC[C@H]2C2CC2)cc2cn(C)nc12 2325824327 YHQQQRCUZZSFFW-KBPBESRZSA-N 300.358 2.927 0 50 DFAA CC1(C)CN(C(=O)c2ncccc2-c2ccccn2)[C@@H]2COC[C@@H]21 909434597 HYPNDWBFAHEMGM-GOEBONIOSA-N 323.396 2.641 0 50 DFAA Cc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)O 310302 JPXOECQLTVUKSI-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C1CCCCC1 408677 WQBALBAWXMAALY-UHFFFAOYSA-N 307.390 2.680 0 50 DFAA COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1OC 4410284 QDBBFORVWWODCU-YEWWUXTCSA-N 321.417 2.668 0 50 DFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)c1 8247199 JBJXSQTWFQHFMJ-ZDUSSCGKSA-N 310.353 2.687 0 50 DFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCc1cccc(Cl)c1 100615194 LBSALAHKZWDRNS-VIRABCJISA-N 321.804 2.746 0 50 DFAA CN1CCCN(C(=O)CSCc2ccccc2Cl)CC1 55270466 WWUBYOCUYSSLCG-UHFFFAOYSA-N 312.866 2.737 0 50 DFAA O=c1[nH]c(N2CCCCCC2)nc2ncn(Cc3ccccc3)c12 9334293 HJHSHJILVCXGBS-UHFFFAOYSA-N 323.400 2.548 0 50 DFAA Cc1ccc(NCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl 100159312 IEHAZZSMZGWLDQ-GVARAGBVSA-N 316.788 2.825 0 50 DFAA CN(C)CC(C)(C)Cn1ccnc1-c1ccc2c(c1)OCCO2 67650065 BCXJMZGQOZPQBV-UHFFFAOYSA-N 315.417 2.909 0 50 DFAA OCC[C@H]1CN(Cc2ccncc2)CCN1CC1CCCCC1 105902840 IRUXTBZBBLIHSB-IBGZPJMESA-N 317.477 2.531 0 50 DFAA CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 10448839 SBVVNBRJIXPNME-UHFFFAOYSA-N 309.362 2.703 0 50 DFAA Cc1noc(-c2ccnc(N3CCC[C@@H](c4cc[nH]n4)C3)c2)n1 67920861 SENWKZYUJSNILI-CYBMUJFWSA-N 310.361 2.547 0 50 DFAA COc1ccc2[nH]c(=O)c(CN(C)Cc3ncccc3C)cc2c1 67966453 YFLUGXXWBOTPRO-UHFFFAOYSA-N 323.396 2.872 0 50 DFAA COc1c(F)ccc(-c2nc(C)nn2-c2ccccn2)c1F 65373215 LZUNFTZHBOPPGZ-UHFFFAOYSA-N 302.284 2.925 0 50 DFAA COc1ccccc1CC(C)(C)C(=O)N1CCC[C@H](C(=O)O)C1 136165965 KLHGWKZPWFSRSB-AWEZNQCLSA-N 319.401 2.587 0 50 DFAA Cc1nc(CNC(=O)[C@H](C)c2ccccc2)sc1C(=O)O 235066513 AHVBVHQDZXTWDS-SECBINFHSA-N 304.371 2.570 0 50 DFAA O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@@H](n2cncn2)C1 229756010 MILNUYJFSGSXCZ-OWCLPIDISA-N 302.422 2.658 0 50 DFAA CC(C)c1nnc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)s1 252497221 QBSUAPGQJMGDDZ-MNOVXSKESA-N 311.451 2.843 0 50 DFAA COc1ncccc1-c1csc([C@@H]2CN3CCC[C@@H]3CO2)n1 252510728 ZPDOYVULOZPWNJ-RISCZKNCSA-N 317.414 2.749 0 50 DFAA Cc1cccc([C@@H]2C[C@@H]2[C@H](C)NC(=O)N(C)CC[C@@H](C)O)c1 252511055 DNHGNKHODQNXRC-WTTBNOFXSA-N 304.434 2.899 0 50 DFAA CC[C@@H](C)CNC(=O)c1cc(COc2ccccc2OC)[nH]n1 67983083 OIALACCBSLODLZ-GFCCVEGCSA-N 317.389 2.773 0 50 DFAA C[C@@H]1CCN(c2nn3c(=O)ccnc3s2)[C@H]2CCCC[C@H]21 252669025 GFFWRYRWMGFMEP-WOPDTQHZSA-N 304.419 2.556 0 50 DFAA CN(C)CCCN(C)C(=O)N[C@H](c1ccccc1)c1ccco1 185265603 UTDVBLULNMQTDS-QGZVFWFLSA-N 315.417 2.962 0 50 DFAA Cn1c(Br)nc(Br)c1Br 2571266 KAMDVXMJRMNDCQ-UHFFFAOYSA-N 318.794 2.708 0 50 DFAA biogenic,in-vitro FC(F)(F)c1cn2c(n1)CC[C@H](CNCc1cscn1)C2 328626630 FHQFFBJMBFHUEC-SECBINFHSA-N 316.352 2.711 0 50 DFAA Cc1ccsc1C(=O)N(Cc1cccnc1)C[C@@H]1CCNC1 328627609 GIGUZXPUUGHEBI-OAHLLOKOSA-N 315.442 2.703 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ccc2ccc(F)cc2n1 359308831 ZWLFXVKBWVVLOW-BHYGNILZSA-N 316.376 2.740 0 50 DFAA COCC1(C(=O)N2CCC[C@H](Nc3ccccc3)C2)CCC1 72150639 GSXFTBMLAHNICC-INIZCTEOSA-N 302.418 2.906 0 50 DFAA CCn1nnc(C)c1CNCc1cccc(OCC(C)C)c1 449096400 HHFUYRFLFWNGEX-UHFFFAOYSA-N 302.422 2.931 0 50 DFAA CCOC(=O)c1nccn1-c1ccc(OC[C@@H]2CCCO2)cc1 72157667 NYVJRHVDKFIRQX-HNNXBMFYSA-N 316.357 2.607 0 50 DFAA Cc1cccc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)c1 262981339 UKKDLIXUEUVFSU-IRXDYDNUSA-N 309.365 2.935 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCOc3cc(F)ccc32)c1 238204010 ZDVINIOCEKUXBG-UHFFFAOYSA-N 301.273 2.563 0 50 DFAA CCc1noc(C)c1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222777097 BUKNMSPTYLPWSV-IEAZIUSSSA-N 318.417 2.869 0 50 DFAA COCCc1nsc(NCc2nc3ccccc3s2)n1 176748155 JZSGALLPVKRBRZ-UHFFFAOYSA-N 306.416 2.949 0 50 DFAA CCc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]1 426387297 OFEGSAVRVWUGMS-ZDUSSCGKSA-N 315.392 2.973 0 50 DFAA O=C(NCCc1ccccc1F)N1CCC[C@@]2(CCOC2)C1 95372464 ZMUOJMNPTKDKHR-QGZVFWFLSA-N 306.381 2.580 0 50 DFAA Cn1cc(Cl)c(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)n1 97743450 BBKAHVARXWEHNY-JTQLQIEISA-N 318.686 2.502 0 50 DFAA COCC[C@]1(CO)CCCN(C/C=C/c2ccc(F)cc2)C1 91934330 UNQJCJIMTSIUQG-ROVVAWJSSA-N 307.409 2.950 0 50 DFAA c1ccc(-c2n[nH]c(CCNc3nnc(C4CCC4)o3)n2)cc1 95368413 MOXCWWMTWGTATJ-UHFFFAOYSA-N 310.361 2.777 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCn4cccc4C3)[nH]n2)s1 91818407 NPJHMFWQAWJWIJ-UHFFFAOYSA-N 312.398 2.904 0 50 DFAA CC(C)(C)N1C[C@H](C(=O)NCCc2ccc(Cl)cc2)CC1=O 92066916 SDYQGONVDGYBGA-CYBMUJFWSA-N 322.836 2.646 0 50 DFAA COc1ccc(Cl)cc1[C@H](C(=O)O)N(C)Cc1ccon1 95374655 HVXUNCWRPBRZSP-CYBMUJFWSA-N 310.737 2.594 0 50 DFAA CCc1nccn1CCN1CCN(c2ccc(F)cc2F)CC1 244796094 RSPUTEIWENGIJV-UHFFFAOYSA-N 320.387 2.546 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1noc(C2CCCC2)n1 244811381 SBSGOACSNSGFSC-HNNXBMFYSA-N 316.405 2.942 0 50 DFAA Oc1nc2cc3c(cc2cc1CN1CCN2CCC[C@H]2C1)CCC3 253531385 JRCIKEUEFNYDNB-SFHVURJKSA-N 323.440 2.709 0 50 DFAA C[C@@H](Cn1ccnc1)NCCc1csc(-c2ccncc2)n1 534642365 MZTOUUSLSVDOLQ-ZDUSSCGKSA-N 313.430 2.622 0 50 DFAA CC[C@@](O)(CCCO)CNC(=O)Nc1ccc(Cl)cc1F 299775977 MFDIQBZANVURPK-CQSZACIVSA-N 318.776 2.514 0 50 DFAA Cc1cc(=O)cc(C(=O)NCc2sc(C(C)C)nc2C)o1 299795098 LDFBYHTVNPJHEC-UHFFFAOYSA-N 306.387 2.767 0 50 DFAA Cn1ncc(CS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 585136725 QNHJTMVFQZFCGK-UHFFFAOYSA-N 319.430 2.837 0 50 DFAA COc1ccc(NC(=O)NC(C)(C)[C@H](O)C(F)(F)F)cc1F 1414391510 YFIFWGYSTJFBBM-JTQLQIEISA-N 324.274 2.658 0 50 DFAA Cc1cc(C(=O)Nc2cccc(CN3CCCC3)c2)nc(C)n1 952964846 AEQNWLWMUICFDD-UHFFFAOYSA-N 310.401 2.942 0 50 DFAA CC(=O)c1cc2c(cc1NC(=O)[C@H]1CC=CCC1)OCCO2 952868746 SNSVDELZQFVSKA-LBPRGKRZSA-N 301.342 2.955 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]([C@H](C)N)C1 269300968 XKGGKUPSZDFFCN-RWMBFGLXSA-N 310.825 2.693 0 50 DFAA C[C@@H]1COC[C@@H](C)N1C(=O)c1csc(-c2ncccc2F)n1 271157646 NMLYOLURYJKZMH-NXEZZACHSA-N 321.377 2.594 0 50 DFAA Cn1ccnc1CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 170609389 AQNKMCDBTAXEGF-ZIAGYGMSSA-N 304.777 2.963 0 50 DFAA COCc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2F)n[nH]1 408473691 DBVYYXNEIRRFSO-AWEZNQCLSA-N 322.359 2.957 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)o1 639579143 BMMJPCXVRLTFNW-LRDDRELGSA-N 300.358 2.514 0 50 DFAA C[C@@H]1OCC[C@H]1[S@@](=O)Cc1csc(-c2ccccn2)n1 195545234 FEYNKBZKVIZKDC-YVKATFEGSA-N 308.428 2.631 0 50 DFAA O=C([C@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1c1ccc(O)cc1 677436655 AJYLKFFQSVFWTC-GUYCJALGSA-N 311.385 2.584 0 50 DFAA Cc1cnccc1-c1ccc(C(=O)N2CC(O)(C(F)F)C2)s1 1615045342 JZSUKWQICVSUCW-UHFFFAOYSA-N 324.352 2.571 0 50 DFAA COc1cc(O)ncc1C(=O)N(C)C[C@@H]1CCc2ccccc21 1615037335 AWNPYBAXNCZIOS-ZDUSSCGKSA-N 312.369 2.598 0 50 DFAA C[C@H]1CCN(C(=O)c2ccnc(C(F)(F)F)c2N)CCS1 1615586501 OUYRAEUVLMWVOV-QMMMGPOBSA-N 319.352 2.650 0 50 DFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)Cc1ccccn1 1506397036 XVONXEVRXHNOSR-QGZVFWFLSA-N 312.417 2.600 0 50 DFAA Cc1nc(N2CCN(CC(C)C)[C@H](CCO)C2)ccc1Cl 1529145401 ITLFPCRWNNLCAE-CQSZACIVSA-N 311.857 2.572 0 50 DFAA CN1CCC[C@H]1CCNc1noc(-c2ccccc2)c1C(=O)O 1704324654 CNEYGUPUVLTPCB-ZDUSSCGKSA-N 315.373 2.936 0 50 DFAA Brc1ccnc2[nH]cc(I)c12 16678067 HBIIPYGVYOJSOV-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro Cc1ccsc1[C@@H](CNc1nccnc1N(C)C)N(C)C 1704300298 RNWVYAJFOWGKHG-GFCCVEGCSA-N 305.451 2.627 0 50 DFAA CC1CCN(C(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)CC1 14882373 YRDPCOFEVNXXSH-MRXNPFEDSA-N 304.365 2.772 0 50 DFAA COc1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1OC 16647781 GWMUJHPWWPXQKN-UHFFFAOYSA-N 321.323 2.955 0 50 DFAA COc1ccc(CN2CCN(Cc3ccco3)CC2)cc1OC 19360260 BXAYYCWQOGXKIB-UHFFFAOYSA-N 316.401 2.615 0 50 DFAA COc1ccc(CC(=O)N2CCC[C@H](CN3CCCC3)C2)cc1 19853317 FGGROIXRPQVGSQ-QGZVFWFLSA-N 316.445 2.572 0 50 DFAA Cc1nc(C)c(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)s1 1857680545 KQPWYAXPQDMNBW-UHFFFAOYSA-N 316.430 2.601 0 50 DFAA c1ccc(-c2noc(CCn3ccnc3-c3cnsc3)n2)nc1 1857706971 VHBWQGUAZJIHKS-UHFFFAOYSA-N 324.369 2.694 0 50 DFAA O[C@H]1Cc2ccccc2[C@H]1n1ccnc1-c1cccc2ccnn12 1857716126 XRDKVNQHBUAXHQ-ZWKOTPCHSA-N 316.364 2.704 0 50 DFAA CCOc1ccc(CN2CC[C@H](c3nc(C)no3)C2)cc1F 344833138 QGPLVDMSJNCLEN-ZDUSSCGKSA-N 305.353 2.905 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)CCCc2ccc(Cl)cc2)C1 237523199 VPIZKYWPFAQKGV-MRXNPFEDSA-N 309.793 2.986 0 50 DFAA Nc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)ccn1 660857929 YQMIBAJZPSJTIY-UHFFFAOYSA-N 321.428 2.995 0 50 DFAA Cc1ccccc1C(F)(F)CNc1ncnc2c1cnn2C 663233449 DKDHESXYEPFKFK-UHFFFAOYSA-N 303.316 2.876 0 50 DFAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCCO1)c1cccc(Cl)c1 776672340 CWBOWFQBSTXXDT-STQMWFEESA-N 311.765 2.541 0 50 DFAA CC1(C)CC(=O)Oc2ccc(OCC(=O)NC3CCCC3)cc21 585122963 LEDDQEUIVRRQHZ-UHFFFAOYSA-N 317.385 2.711 0 50 DFAA c1ccc(COCCCN[C@H]2CCOC3(CCOCC3)C2)cc1 390063627 XINKRRJBQWTNDN-SFHVURJKSA-N 319.445 2.911 0 50 DFAA CN(Cc1nc(-c2ccc3nc(O)[nH]c3c2)no1)CC(C)(C)C 904008152 GDQOJUYSOUHNNK-UHFFFAOYSA-N 315.377 2.796 0 50 DFAA CSc1cncc(NC(=O)[C@]2(N)CCc3ccccc3C2)c1 952882177 UPFSUZLWYPMRGR-KRWDZBQOSA-N 313.426 2.628 0 50 DFAA Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CNC3=O)s1 1875280428 IIALQRHNDITOFC-JTQLQIEISA-N 300.383 2.791 0 50 DFAA CC(=O)Nc1cccc(CN=c2[nH]c(Cl)nc3[nH]ccc23)c1 1875290253 KNSMSWMBAXBALH-UHFFFAOYSA-N 315.764 2.604 0 50 DFAA Cc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)c(F)c1F 876847071 VNUFQEFJYDLLCP-HNNXBMFYSA-N 316.351 2.890 0 50 DFAA O=C(N[C@@H](C(=O)O)c1cscn1)[C@@H]1CCCc2ccccc21 1875311189 PIMDKSWRPCNNGD-TZMCWYRMSA-N 316.382 2.505 0 50 DFAA O[C@H](CN1CCC(Cc2nccs2)CC1)c1ccc(F)cn1 879208858 XFMVFPHFFBRZJR-OAHLLOKOSA-N 321.421 2.665 0 50 DFAA C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@](O)(C(=O)O)C1 1775994671 ZGVVDFKRRJMPAS-UGSOOPFHSA-N 305.418 2.957 0 50 DFAA Cc1cc(CNC(=O)N2CCCC[C@@H]2c2nc[nH]n2)sc1C 1775988208 AYMVMJNDCUMYKS-CYBMUJFWSA-N 319.434 2.920 0 50 DFAA Cc1cc(C(=O)N2CCc3cc(F)c(C(=O)O)cc3C2)co1 1776006873 YGKOARXWDQEONE-UHFFFAOYSA-N 303.289 2.624 0 50 DFAA Cn1cc(-c2ccnc(/C=C/c3ccnn3C3CCC3)n2)cn1 899366350 LDUFABOWOLIMBB-AATRIKPKSA-N 306.373 2.969 0 50 DFAA CC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)O 426386254 CXPGWYQTTKPVFZ-SECBINFHSA-N 309.671 2.952 0 50 DFAA C[C@H](N[C@H](C)c1ccc(Br)cn1)c1nccn1C 359080810 KBGNYIHRXOZDGN-ZJUUUORDSA-N 309.211 2.989 0 50 DFAA O=C(O)c1cccc2c1CN(Cc1cc(C(F)F)no1)CC2 2325787785 WTCVVHBKMRNVHJ-UHFFFAOYSA-N 308.284 2.869 0 50 DFAA CC[C@@H](OC1CCCC1)C(=O)N[C@H](CC(=O)O)C1CCCC1 910570266 XYBGYCBGNLJKMQ-HUUCEWRRSA-N 311.422 2.874 0 50 DFAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1c(F)cccc1Cl 132854 DDPSCJVQYXVRJN-LBPRGKRZSA-N 322.727 2.533 0 50 DFAA COc1cc(OC)cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 187430 XGRKLBHOFGOZTF-UHFFFAOYSA-N 320.433 2.743 0 50 DFAA Cc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1Cl 2810631 JYPSKQFFIXEVEN-UHFFFAOYSA-N 312.797 2.518 0 50 DFAA CN(C)P1(N(C)C)=NC(C(F)(F)F)=NC(C(F)(F)F)=N1 4285534 OFMKKSBAKSDTKO-UHFFFAOYSA-N 323.181 2.991 0 50 DFAA CCOc1ccc(CN2CCN(C3CCC3)C[C@@H]2CCO)cc1 20586715 BRKKAZISMROISM-SFHVURJKSA-N 318.461 2.506 0 50 DFAA COc1ccc(C)cc1CN1CCC[C@H]1[C@H]1CCCN1C(C)=O 247822055 HDXYCBLYQRAHGN-ZWKOTPCHSA-N 316.445 2.979 0 50 DFAA CC(C)CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843967 HDFMWJAZTOQYBC-OAHLLOKOSA-N 320.408 2.840 0 50 DFAA Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)nc1 248456243 NEZVICPPYCFKMT-BPLDGKMQSA-N 301.390 2.859 0 50 DFAA CCn1cnnc1CCNC(=O)c1oc2cc(C)ccc2c1C 65509146 PUBGERKUCSVKPG-UHFFFAOYSA-N 312.373 2.634 0 50 DFAA CCCCOc1cccc(OCCOCCN2CCOCC2)c1 20653447 VUXGSKVTWWKXDQ-UHFFFAOYSA-N 323.433 2.593 0 50 DFAA COCc1ccccc1CNC(=O)[C@@H]1CCCO[C@@H]1C(C)C 424580936 XSMYXGGKLFDELF-IAGOWNOFSA-N 305.418 2.900 0 50 DFAA C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@@H]1CCCO1 372028 COKYVJRWFPJIJA-ZANVPECISA-N 321.760 2.744 0 50 DFAA COC[C@@H]1[C@@H](NC(=O)c2csc(C(C)C)c2)[C@@H]2CCO[C@@H]21 219171827 PCPQHSKKAJGUEM-NEBZKDRISA-N 309.431 2.651 0 50 DFAA O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1 5029968 JHUODAGHIWWATE-GOSISDBHSA-N 324.355 2.904 0 50 DFAA aggregator CCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(C)c32)cc1OC 35171248 CVEBBDSVSHCUQE-LLVKDONJSA-N 301.346 2.600 0 50 DFAA CC1(C)CCC(=CC(=O)NC2(c3ncon3)CCOCC2)CC1 152845524 GKJVPUULKVQZIX-UHFFFAOYSA-N 319.405 2.718 0 50 DFAA OC[C@H]1Cc2ccccc2N(Cc2nnc(-c3ccco3)o2)C1 366393888 DSIMETOWSYZVHQ-LBPRGKRZSA-N 311.341 2.501 0 50 DFAA CC[C@@]1(C)COCCN1C(=O)c1cc(O)nc2ccc(F)cc12 332182601 AHQXHUYPQYSSMN-KRWDZBQOSA-N 318.348 2.721 0 50 DFAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1Cc2ccc(Cl)cc2C1 458575527 XTKLXIYKTOGMOU-BZNIZROVSA-N 319.836 2.848 0 50 DFAA O=C(c1ccncc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565530348 IOJQENJGQZYRJU-MJGOQNOKSA-N 321.424 2.818 0 50 DFAA CCn1cc(C2CCN(CC[C@@H]3CCCCN3C)CC2)cn1 372017099 LJLRPAGCKDBLIA-SFHVURJKSA-N 304.482 2.957 0 50 DFAA CC(C)n1cc(S(=O)(=O)N(C)c2cc(F)ccc2F)cn1 157738533 QFMVTOIKWYFCHW-UHFFFAOYSA-N 315.345 2.567 0 50 DFAA CCC(CC)n1nccc1C(=O)N1CCC[C@H](CCC(=O)O)C1 236733623 UUUPUZSUQZIBBY-CYBMUJFWSA-N 321.421 2.961 0 50 DFAA CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)nc1 236959405 KBZZQXKIOZSURH-ZDUSSCGKSA-N 316.382 2.991 0 50 DFAA O=C(c1csc(-c2ccoc2)n1)N1CCC[C@]2(CCNC2)C1 377558999 BRKGGCDMQBAQEC-MRXNPFEDSA-N 317.414 2.619 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@](C)(C(=O)O)C1 237115336 HKZFFPBKFDKAJN-IYPOZPNPSA-N 317.385 2.507 0 50 DFAA CNC[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 237297102 PDEYRRUQATVCGV-GFCCVEGCSA-N 314.351 2.706 0 50 DFAA CNc1nc(C)cc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)n1 333788846 XCPPVIOASAYUHX-HNNXBMFYSA-N 316.449 3.258 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)NCCc1cccc(C(=O)O)c1 263034119 ZVGYHUSJHYTFNG-UHFFFAOYSA-N 314.341 2.531 0 50 DFAA O=C(O)C1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 238023301 UULUHIFUUTURQI-HNNXBMFYSA-N 301.386 2.820 0 50 DFAA CCn1ccc2c(CN3CCOC[C@@H](CN(C)C)C3)cccc21 72174300 YFRQDQATHSFITD-INIZCTEOSA-N 315.461 2.671 0 50 DFAA Cc1ncc(CN(Cc2scnc2C)C[C@H]2CCNC2)s1 263273293 SNAKDBQEOWBNBN-ZDUSSCGKSA-N 322.503 2.828 0 50 DFAA CCCc1nc(C)c(CNC(=O)CSc2ncccn2)s1 223177155 IIDZJYIQSHOJPZ-UHFFFAOYSA-N 322.459 2.603 0 50 DFAA COc1ccc2c(c1)CCCCN2C(=O)Cc1cncc(O)c1 613158879 JYENBIPPZMFAKB-UHFFFAOYSA-N 312.369 2.708 0 50 DFAA Cc1nnsc1CN(C)C(=O)NC12CC3CC(CC(C3)C1)C2 426411226 FDEFAJOMBQPJLI-UHFFFAOYSA-N 320.462 2.957 0 50 DFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3n1C)C2 426593639 IJTKKHCTIZDYOO-PBKGOJFUSA-N 316.376 2.814 0 50 DFAA Cc1cc2ccccc2n1CCNC(=O)N(C)C[C@@H]1CCOC1 426361824 RLWBEVGQRSFHKM-HNNXBMFYSA-N 315.417 2.628 0 50 DFAA CCn1cc(CN(CC(C)C)C(=O)[C@H](C)n2ccnc2C)cn1 426477142 BICXWMBMEXPQJB-AWEZNQCLSA-N 317.437 2.654 0 50 DFAA CC[C@H](C)[C@H](NC(=O)N(Cc1ccc(O)cc1)C1CC1)C(=O)O 426487813 BMARBQXXVTZWRO-NHYWBVRUSA-N 320.389 2.566 0 50 DFAA COc1ccc(CCN2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1OC 230052254 ZLUSDZFWNVWMLV-ZACQAIPSSA-N 319.445 2.872 0 50 DFAA CCn1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)n1 91678447 IUQVWMJJSZFZBA-DLBZAZTESA-N 313.401 2.512 0 50 DFAA CCn1cc(Nc2ccc3nnc(-c4ccccc4F)n3n2)cn1 180983384 KHFOCQFXTWNWGV-UHFFFAOYSA-N 323.335 2.890 0 50 DFAA Cc1ccc2c(c1)[C@H](NCC1CCS(=O)(=O)CC1)[C@H](C)C2 181024832 NKLYUJFNYQZTGZ-CXAGYDPISA-N 307.459 2.643 0 50 DFAA Cc1n[nH]c([C@H]2CCCN2C(=O)CC2Cc3ccccc3C2)n1 244874531 XCXUYCJSFCPQAA-MRXNPFEDSA-N 310.401 2.582 0 50 DFAA CC(=O)c1ccccc1NC(=O)c1ccccc1-n1ccnn1 181438631 YWJSEGHOEUNSME-UHFFFAOYSA-N 306.325 2.722 0 50 DFAA CCCC[C@H](C)C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 295859650 WYMNSKLOCRKUQS-LBPRGKRZSA-N 316.401 2.972 0 50 DFAA COc1ccccc1N1CC[C@@H](NC(=O)C(C)(Cl)Cl)C1 181779615 UPTCCUUUWGWAJS-SNVBAGLBSA-N 317.216 2.584 0 50 DFAA COCCNC(=O)NCCCSc1ccc(Cl)cc1 534589504 AJCYOCCMQZLGGI-UHFFFAOYSA-N 302.827 2.768 0 50 DFAA O=C([C@@H](O)c1cccc(Cl)c1)N1CCCC2(CCOCC2)C1 299762924 DJUDFFZUSHJDEI-HNNXBMFYSA-N 323.820 2.793 0 50 DFAA O=C(NC1CCCCC1)N[C@H]1CCCN(C(=O)c2ccco2)C1 586005005 OTZLETZYEFCYHL-AWEZNQCLSA-N 319.405 2.516 0 50 DFAA CC(C)n1cc(CN(C)C(=O)Cc2n[nH]c3ccccc23)cn1 584888629 VRMOZNBWFAUTGW-UHFFFAOYSA-N 311.389 2.541 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 873280068 QVUDIKDOTUUJBP-GXFFZTMASA-N 318.352 2.605 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 269191560 OLLLNZYPQWCDIM-UYSNPLJNSA-N 301.386 2.894 0 50 DFAA CNC(=O)c1cccc(NC(=O)c2ccc3nc(C)[nH]c3c2)c1C 1875258114 MPDBOXYOEOQPDM-UHFFFAOYSA-N 322.368 2.792 0 50 DFAA Cc1cc(Cc2ccc(NC(=O)[C@@H](C)C(=O)O)cc2)cc(C)n1 1875291607 FXQUCMDKPQTLOV-CYBMUJFWSA-N 312.369 2.948 0 50 DFAA c1ccc(-c2ccc(N3CCO[C@@H](Cn4cccn4)C3)nc2)cc1 888095482 JNBBGRVNDGWRFH-GOSISDBHSA-N 320.396 2.851 0 50 DFAA C[C@@H]1C[C@@H](C(=O)Nc2c(O)ccc(Br)c2F)CO1 1776005451 FMCBFQGXYNZWOF-RNFRBKRXSA-N 318.142 2.657 0 50 DFAA CC(C)=CCCN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1565510424 KACOEFWHCFMMHW-ZBFHGGJFSA-N 319.474 2.922 0 50 DFAA CC(C)c1ccoc1C(=O)N1CCN(C(=O)C2CC2)CC1(C)C 408023403 ROWFECYGVHQOAC-UHFFFAOYSA-N 318.417 2.876 0 50 DFAA Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)CC1(C)CCCCC1 408307112 GBFMUGWJQVDITQ-CYBMUJFWSA-N 313.467 2.679 0 50 DFAA CCOc1cccc(Cl)c1CN1CCCN(C(C)=O)CC1 408523298 QSWNQQVWJAGYEU-UHFFFAOYSA-N 310.825 2.793 0 50 DFAA C[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)O)C1)C(F)(F)F 630158042 QNFXFCVSMFQBPL-UWVGGRQHSA-N 309.328 2.924 0 50 DFAA Cc1ncc(C(=O)N2C[C@H](C)Oc3c(F)cccc32)c(C)n1 185554765 JAWQQTZMCXEADQ-VIFPVBQESA-N 301.321 2.660 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ncc(C)c(OC)c1C 277556469 UZCALVCBGKWXKH-HOCLYGCPSA-N 320.433 2.871 0 50 DFAA CN(Cc1ccc(Cl)cc1)Cc1nnnn1CC(F)(F)F 190809524 GQXILSOSRDNBNE-UHFFFAOYSA-N 319.718 2.521 0 50 DFAA CC1CCN(C[C@H](O)CN2CCc3cc(Cl)ccc3C2)CC1 192240153 TXRTWBRMTKPQTE-SFHVURJKSA-N 322.880 2.791 0 50 DFAA C[C@H](Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1)C(=O)O 192918087 VIVPLHJTCOKBTE-DOMZBBRYSA-N 305.374 2.848 0 50 DFAA CCN(Cc1ccc2c(c1)OCO2)c1ncnc2onc(C)c12 193385303 ZGSWMLIEPGNCPG-UHFFFAOYSA-N 312.329 2.681 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(F)cc1 652070466 YCQQQSFJRRINKA-NOXHYTERSA-N 317.360 2.712 0 50 DFAA Cc1ncc(CNC2(c3ccc(F)cc3F)CCOCC2)n1C 657417890 BMBXIYNDQXOWJJ-UHFFFAOYSA-N 321.371 2.802 0 50 DFAA C[C@@](O)(c1nc(-c2ccncc2Br)no1)C1CC1 585120595 XJJXARYOCDKJHU-LBPRGKRZSA-N 310.151 2.512 0 50 DFAA CCc1cnc(CNC(=O)Nc2ccc(OCOC)cc2)o1 585119555 KXBMETRAYDXZFN-UHFFFAOYSA-N 305.334 2.541 0 50 DFAA COc1cccc(OC2CN(C(=O)C(C)(C)n3cccc3)C2)c1 1506397996 ZBGAHMXAHOKFKA-UHFFFAOYSA-N 314.385 2.522 0 50 DFAA COc1ccc(NC(C)(C)C(=O)N[C@@H](C)C(F)(F)F)cc1 1506399141 ARFAIHURQCRXLN-VIFPVBQESA-N 304.312 2.953 0 50 DFAA CCc1nn(C)c(NC(=O)[C@H](C)N(C)C2CCCCC2)c1C 1529154270 IOUYFVPVZOFZJL-ZDUSSCGKSA-N 306.454 2.882 0 50 DFAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccccc3Cl)CCN12 1529185582 NYDRYDSBIXDLOG-UONOGXRCSA-N 322.836 2.665 0 50 DFAA CC(C)(C)OC(=O)NC[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 206034763 MEBGSWOKWJLJKT-GFCCVEGCSA-N 318.373 2.936 0 50 DFAA in-vitro Cc1oc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1C(=O)O 1600852236 PKNCRTSNVFFDCY-GFCCVEGCSA-N 318.348 2.794 0 50 DFAA CC(C)(C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2)C1CCCC1 1615547864 VLHIODCUSBXQAL-HUUCEWRRSA-N 318.383 2.861 0 50 DFAA COc1ccccc1-c1cccc(C(=O)N2C[C@H](O)[C@@H](F)C2)c1 1616097109 QGMHPOZWQVZHRE-HOTGVXAUSA-N 315.344 2.517 0 50 DFAA COc1cccc(N2C(=O)CN(C(=O)c3ccccc3)C[C@H]2C)c1 14995824 FSHCHNRWVREJPR-CQSZACIVSA-N 324.380 2.573 0 50 DFAA Cc1cc(C)c(NC(=O)[C@H]2CCCN2CCN(C)C)c(C)c1 19535729 KNWPCXOEALRLGM-MRXNPFEDSA-N 303.450 2.576 0 50 DFAA C1=CC[C@@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 19633370 UTOCJUCVDDVQCG-MRXNPFEDSA-N 314.429 2.889 0 50 DFAA C[C@H](NC(=O)CCN1CCOC2(CCCC2)C1)c1ccccc1 158452549 LZYSHHLUTIOYGG-INIZCTEOSA-N 316.445 2.899 0 50 DFAA COc1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 2703293 CLKYLHQFRPESRB-DLBZAZTESA-N 303.358 2.756 0 50 DFAA biogenic COc1ccccc1[C@@H](C)CC(=O)N1CCCC[C@H]1C(=O)O 136493421 HUIYRKDUCCJADI-JSGCOSHPSA-N 305.374 2.655 0 50 DFAA Cc1cc([C@H]2CCCN(C(=O)Cc3c(C)noc3Cl)C2)n[nH]1 368660909 WNPMYLQFBWRZBH-NSHDSACASA-N 322.796 2.617 0 50 DFAA N[C@H](C(=O)N1CCC(OC2CCCC2)CC1)c1ccccc1 157313101 VIAFTZTUIUUIND-KRWDZBQOSA-N 302.418 2.637 0 50 DFAA O=C(N[C@H]1CCc2ccccc2OC1)c1noc2c1CCCC2 374610820 LRWDSIJSLUTJSO-ZDUSSCGKSA-N 312.369 2.677 0 50 DFAA Cc1ncsc1CN[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 888099240 XKWDKDVYCIVWRA-YNEHKIRRSA-N 323.462 2.797 0 50 DFAA COc1ccc(Cl)c(-c2nc3c4c(ncn3n2)CCC4)c1 13682630 XGUOLUWWTQEVLR-UHFFFAOYSA-N 300.749 2.942 0 50 DFAA O=C(CSc1ccccc1)NCc1ccc2c(c1)OCO2 148017 QLLYJTZWKUZHJX-UHFFFAOYSA-N 301.367 2.824 0 50 DFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccs1 202276 VYDAZAKNQNRIFR-GFCCVEGCSA-N 322.411 2.571 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2cccc(C)n2)cc1 309568 WSFCUTZXLXYEKO-UHFFFAOYSA-N 301.371 2.525 0 50 DFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 482280 KIUSUKXNYGTBKW-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA Cc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)cc1C 2356140695 OQHWWSDWVQTJKM-HNNXBMFYSA-N 308.385 2.584 0 50 DFAA Clc1ccc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)nc1 2356144490 AJGQHNFJRINPDF-MRXNPFEDSA-N 302.809 2.938 0 50 DFAA Cc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1Cl 4393773 GUUXXKKMRSFZKY-UHFFFAOYSA-N 319.777 2.938 0 50 DFAA CC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 4839546 UHKVYBQWSGTMLA-LBPRGKRZSA-N 310.353 2.705 0 50 DFAA O=C1N/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccc(F)cc1 4845898 VGYFJOPPFSDWAF-OQLLNIDSSA-N 312.300 2.624 0 50 DFAA CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 6243959 DXHPDHVBQNYRNH-UHFFFAOYSA-N 318.398 2.627 0 50 DFAA CCCc1nc2ccccc2n1CCC(=O)Nc1nccn1C 412727166 JAWRITWEQJPCBD-UHFFFAOYSA-N 311.389 2.751 0 50 DFAA COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Cl)cc1 8683714 JIVZHUVGPBDKFX-GFCCVEGCSA-N 310.806 2.648 0 50 DFAA O=C(Nc1cccc(F)c1)[C@H](c1ccccc1)N1CCOCC1 20310893 AJVUUTSNMINHJQ-KRWDZBQOSA-N 314.360 2.838 0 50 DFAA C[C@@H](CCc1ccco1)NC(=O)c1cnc(-c2cccnc2)nc1 65387264 KLFIHOFBTYDRDB-ZDUSSCGKSA-N 322.368 2.883 0 50 DFAA CCOCCO[C@H](C)C(=O)N[C@H]1C[C@H]1c1ccccc1Cl 248289692 JZJPTWVAZDTPCR-ZLDLUXBVSA-N 311.809 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CCn1nc(C(C)C)cc1C(=O)N1CCC(c2ncc[nH]2)CC1 215126794 OXOKILQBTLOJHD-UHFFFAOYSA-N 315.421 2.769 0 50 DFAA CCn1cc(CCN2C(=O)[C@@](C)(C3CCCCC3)N=C2O)cn1 329595635 OXVRXDZJWKRSRC-QGZVFWFLSA-N 318.421 2.541 0 50 DFAA N[C@H]1CCOc2cc(Br)cc(Br)c21 76914476 CAOLVCMMOQJLSX-ZETCQYMHSA-N 306.985 2.994 0 50 DFAA CNc1nc(C(=O)N2CCOc3ccc(Cl)cc3C2)cs1 215724658 GVOONJIOPOQMIZ-UHFFFAOYSA-N 323.805 2.873 0 50 DFAA CN(CC[C@H]1CCCCO1)C(=O)C(=O)CCc1ccccc1 216013664 YZASICHXRCIVKH-MRXNPFEDSA-N 303.402 2.606 0 50 DFAA O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)c1noc2c1CCCCC2 333773312 SGIWIIXMWZBXMT-YRGRVCCFSA-N 304.390 2.631 0 50 DFAA Cc1c(-c2cc(C(=O)NC3CCC(C)CC3)on2)cnn1C 13641773 MBFRDPPJMGSKET-UHFFFAOYSA-N 302.378 2.692 0 50 DFAA O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@H](O)C1CCC1 449793154 BDHZLMZRQXAMAS-OAHLLOKOSA-N 311.341 2.922 0 50 DFAA CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC2(C)C)CC1 130419212 DYSNTJSNUZETJU-AWEZNQCLSA-N 302.418 2.780 0 50 DFAA O=C(CCOc1ccccc1)N1CCC(c2ccncn2)CC1 215733757 ZRBXDFOFVBLJFF-UHFFFAOYSA-N 311.385 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COc1ccc2cc(C(=O)N(C)C[C@H]3CCCCO3)n(C)c2c1 244691686 JHGCPCRPUMCKMH-OAHLLOKOSA-N 316.401 2.828 0 50 DFAA CCCc1nc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)no1 670452198 MIMLPIQQCGRBSO-MRXNPFEDSA-N 314.433 2.980 0 50 DFAA Cc1cc(C)n(CCCN(C)[C@H](C)Cn2nc(C)cc2C)n1 670453135 RCWUXQRKMFJJPF-QGZVFWFLSA-N 303.454 2.724 0 50 DFAA C[C@H](c1ccc2c(c1)OCCCO2)n1cnc2cnccc2c1=O 670455628 HJWVLIPFJIVWQQ-GFCCVEGCSA-N 323.352 2.562 0 50 DFAA CCn1cc(C(=O)N(CC(=O)O)C2CCCCC2)c(C2CC2)n1 630131565 WYSIVOSGMUAZHL-UHFFFAOYSA-N 319.405 2.640 0 50 DFAA CC[C@H](O)c1ncn(CCOc2ccccc2C(F)(F)F)n1 1875280860 CSTUVEPVLKAKSP-NSHDSACASA-N 315.295 2.819 0 50 DFAA Clc1cccc(NCc2cncnc2)c1N1CCOCC1 1875336183 USIFIEBTLAFBFP-UHFFFAOYSA-N 304.781 2.579 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C2CCCCC2)C1 958528260 PKAXUYMUOOBQHI-PBHICJAKSA-N 312.454 2.656 0 50 DFAA Cc1ccc(=O)n(CC(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)n1 170602376 HMWQDMBAFZBOHW-GJZGRUSLSA-N 319.449 2.663 0 50 DFAA CC[C@H](C(=O)N(C)Cc1ccccc1SC)N1CCCC1=O 279403520 HSKBICNWDMUQLD-CQSZACIVSA-N 320.458 2.768 0 50 DFAA CCC(CC)(C(=O)Nc1nnc(C)s1)C(=O)OC(C)(C)C 585090090 VOOSYMYGSDMWQA-UHFFFAOYSA-N 313.423 2.933 0 50 DFAA C[C@@H]1C[C@H](C(=O)N2CC(Cc3cnn(C)c3)C2)CC(C)(C)C1 585130865 DXWKVHUCLYCPGS-CJNGLKHVSA-N 303.450 2.883 0 50 DFAA C[C@@H]1CCC[C@H](NC(=O)Nc2cnn(-c3ncccn3)c2)CC1 190015158 GGHWWPBMOJIFIK-OLZOCXBDSA-N 314.393 2.753 0 50 DFAA CCc1noc(C)c1CN1CCC[C@H]1c1ccc(N(C)C)nn1 643730151 OZUWFUMWSCHCRX-INIZCTEOSA-N 315.421 2.739 0 50 DFAA O=C(Nc1ccc(-n2ncc3ccccc32)cc1)[C@H]1C[C@H]1C(=O)O 191632098 MKUOQDCOKYCRKT-LSDHHAIUSA-N 321.336 2.685 0 50 DFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1csc(Cl)c1 191680997 VOYJPDKNFASTIQ-LLVKDONJSA-N 322.821 2.590 0 50 DFAA CC(C)[C@H](CNC(=O)[C@H]1CCOC[C@@H]1C)Nc1ccccc1 193177192 QRQCYXHHODBHFQ-XIRDDKMYSA-N 304.434 2.912 0 50 DFAA Cc1cc(C)n2ncc(-c3noc([C@H]4CCOC[C@@H]4C)n3)c2n1 194882189 JYPFPSSCDAPCIC-CABZTGNLSA-N 313.361 2.536 0 50 DFAA Cc1nc(C(=O)N2CCCN(C[C@@H]3CC=CCC3)CC2)cs1 1772819054 OMENWDWFYXMVMJ-OAHLLOKOSA-N 319.474 2.956 0 50 DFAA CCCOC[C@H]1CCN(C(=O)c2cnn3cc(C)ccc23)C1 1772705719 ZKFXRJKKRAHWEW-AWEZNQCLSA-N 301.390 2.531 0 50 DFAA Cc1ccoc1CN(C)C(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1857527445 KVRWHSCKAWSPJQ-NEPJUHHUSA-N 317.389 2.616 0 50 DFAA CC(C)Cc1ccc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)s1 1857668859 HYQNTRXOGYTGSR-SUMWQHHRSA-N 323.458 2.870 0 50 DFAA O=C(c1cccn1C1CC1)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857711001 GJJQDFDAVHVXKK-INMHGKMJSA-N 313.445 2.769 0 50 DFAA CC(C)[C@H]1CN2C[C@@H](n3ccnc3-c3cccnc3)C[C@H]2CO1 1857735270 AUOHRCMHNZYZMW-YESZJQIVSA-N 312.417 2.615 0 50 DFAA O=C(NCc1ccccc1Cn1cncn1)C1CCCCCC1 225532680 ZZEFIHXWOSUPKI-UHFFFAOYSA-N 312.417 2.913 0 50 DFAA Cc1nnc(N(C)C(=O)[C@@H]2COc3ccc(Cl)cc32)s1 427735791 KRUZIAWWSIXRAW-SNVBAGLBSA-N 309.778 2.639 0 50 DFAA CCOc1ccccc1C(=O)N1CCC[C@H](CCC(=O)O)C1 236895826 ZNRZBAXJGWOYLM-CYBMUJFWSA-N 305.374 2.802 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)COc2ccc3ccccc3c2)C1 237645148 CCLLMMAVXLLRHN-GOSISDBHSA-N 313.353 2.542 0 50 DFAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc(Cl)ccc1F 247945297 OOFPXIANDGJQBH-YPMHNXCESA-N 324.783 2.562 0 50 DFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1cscn1 153972204 MKYVZSCJXMSLHM-JTQLQIEISA-N 321.450 2.963 0 50 DFAA Cc1cc(C)cc([C@@H](NC(=O)c2cc(Cl)cn2C)C(=O)O)c1 263068306 OZQRVCFCLWORCT-CQSZACIVSA-N 320.776 2.851 0 50 DFAA Cc1cc(NS(=O)(=O)CCc2cccc(F)c2)cnc1C 903648868 NVEMSTLZFNWUBN-UHFFFAOYSA-N 308.378 2.822 0 50 DFAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C)c1nnc2n1CCC2 930483614 DTORYHHECVJYPB-JTQLQIEISA-N 316.405 2.914 0 50 DFAA Cc1ccccc1-c1nc(CN2CCC[C@H]2c2nc[nH]n2)no1 931133826 HRTJJUAFPLJIFU-ZDUSSCGKSA-N 310.361 2.500 0 50 DFAA CCOC(=O)C(=CNc1nc2ccccc2s1)C(=O)OCC 5324833 VRLYFWSTUZZSNG-UHFFFAOYSA-N 320.370 2.718 0 50 DFAA Cc1cc(NC(=O)C2(C)COC2)n(Cc2ccccc2Cl)n1 2100537302 MEPKPOLIOATCRX-UHFFFAOYSA-N 319.792 2.868 0 50 DFAA CC(C)n1ncc(=NC(=O)c2cccc3c4c([nH]c23)CCCC4)[nH]1 2100548312 XRRJQJQYJYTXMT-UHFFFAOYSA-N 323.400 2.893 0 50 DFAA Cc1nccn1-c1ccc(CNCc2cc3n(n2)CCC3)cc1 2325774374 VDQWELQRRCPRPX-UHFFFAOYSA-N 307.401 2.613 0 50 DFAA CC1(c2ccc(F)cc2)CN(C(=O)CCOC[C@H]2CCCO2)C1 2325802953 HGPFOQVHJVAJAN-MRXNPFEDSA-N 321.392 2.511 0 50 DFAA O=C(Nc1cnn(-c2ccccc2Cl)c1)[C@H]1C[C@@](F)(CO)C1 2325805404 GDXLOSJIMCEHJX-LGZQZNNBSA-N 323.755 2.575 0 50 DFAA Cc1cc(C)c2oc(=NC[C@H]3Cc4ccccc4CN3)[nH]c2c1 2325860023 UYVJCZFCKGXOOA-MRXNPFEDSA-N 307.397 2.993 0 50 DFAA Cc1nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)nc(C)c1C 2356142538 WXBKPHQDEHTXFK-HNNXBMFYSA-N 316.449 2.629 0 50 DFAA CC(C)n1cc(CNc2ccc3nc(N(C)C)oc3c2)nn1 342899685 FWBLZMMTKLATRJ-UHFFFAOYSA-N 300.366 2.678 0 50 DFAA OC[C@@H]1CCCN1c1cc(NCC[C@@H]2C[C@H]3CC[C@H]2C3)ncn1 225419893 SUDSSAOIMBNPAE-JONQDZQNSA-N 316.449 2.676 0 50 DFAA CCSc1nccnc1C(=O)NCc1ccc(C)c(F)c1 225477796 RYMSFHBPHAUQCE-UHFFFAOYSA-N 305.378 2.966 0 50 DFAA CCOC(=O)[C@@H]1CCCN([C@H](C)Cc2ccc(OC)cc2)C1 104835275 UQEPFXPWPQAKSE-GDBMZVCRSA-N 305.418 2.901 0 50 DFAA CCSc1nc(CC(=O)Nc2cnc3n2CCCC3)cs1 67818695 TYMMIWOYTYAMSX-UHFFFAOYSA-N 322.459 2.969 0 50 DFAA COc1cccc2c1ccn2CCC(=O)Nc1nncs1 61719417 GKMZTKMKFCQSEO-UHFFFAOYSA-N 302.359 2.530 0 50 DFAA CC1=C(CCN2CCN(CCOCCO)CC2)C(C)(C)CCC1 22027678 MVYSFSWXRYBRLE-UHFFFAOYSA-N 324.509 2.530 0 50 DFAA Cc1ccn(Cc2nc([C@H]3CCOc4ccccc43)no2)c(=O)c1 350060484 KNBQVXLPURMFRC-AWEZNQCLSA-N 323.352 2.502 0 50 DFAA CCc1csc(CNC(=O)Cc2nc3ccccc3o2)n1 67895678 YDIHLOVLYUXXDU-UHFFFAOYSA-N 301.371 2.706 0 50 DFAA COC[C@H]1[C@@H](NC(=O)c2ccc(C(C)C)cc2)[C@@H]2CCO[C@@H]21 219828499 CFVKAGSJYZCRBF-QAETUUGQSA-N 303.402 2.590 0 50 DFAA O=C(NCc1ccc(O)nc1)c1cc(C(F)(F)F)ccc1F 126033280 YIDNJJQVJMGZED-UHFFFAOYSA-N 314.238 2.875 0 50 DFAA CC(=O)c1c(F)cccc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 253428154 CBOYYPBIKRZFMT-SJKOYZFVSA-N 307.365 2.803 0 50 DFAA C[C@@H](CCN1C(=O)c2ccccc2C1=O)Nc1cccc(CO)c1 253421203 RQWBAUBLGHMGBK-ZDUSSCGKSA-N 324.380 2.666 0 50 DFAA CC(C)(C)n1cc(CN2CC[C@H](Oc3ccccc3)C2)nn1 253432351 YATOZTOCEIMMEW-INIZCTEOSA-N 300.406 2.686 0 50 DFAA CN(C)C1(CNC(=O)[C@@H](O)c2ccccc2Cl)CCCCC1 215883015 QTKKFDUBMDOJCK-HNNXBMFYSA-N 324.852 2.754 0 50 DFAA Cn1cccc1C(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1 77472523 LRXUXQKDJCAAKV-INIZCTEOSA-N 310.397 2.689 0 50 DFAA C[C@H](Nc1cc(N2CCC[C@H]2CO)ncn1)c1cccs1 257365174 ADFUZOJSNXAERI-RYUDHWBXSA-N 304.419 2.672 0 50 DFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 368655509 LZOKZTYWMDIDEJ-LBPRGKRZSA-N 310.357 2.879 0 50 DFAA CNC[C@H]1CCCN1C(=O)Cc1c(C)nc2ccccc2c1C 237233776 YYJMNIMOWAGLLH-OAHLLOKOSA-N 311.429 2.605 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1NC(=O)C(C)(C)C 262351150 BLIPVBANLVCOBY-VXGBXAGGSA-N 318.373 2.639 0 50 DFAA O=C(CCC1CCNCC1)Nc1cccc(N2CCCC2=O)c1 237973477 NBAGLSHNKQNUGR-UHFFFAOYSA-N 315.417 2.532 0 50 DFAA c1ccc2c(N3CCOCCN3)nc(-c3ccsc3)nc2c1 241126173 JKBGQIXWUUOQCN-UHFFFAOYSA-N 312.398 2.700 0 50 DFAA Nc1ccnc(CN2CC[C@@H](CSc3ccccc3)C2)n1 241383097 MSOBZJJMCSXNDE-CYBMUJFWSA-N 300.431 2.673 0 50 DFAA COc1ccc(OC)c(NC(=O)N[C@H](C)c2cn(C)nc2C)c1 17054595 PXPHAQHPOIFTPL-SNVBAGLBSA-N 318.377 2.628 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccnc(C2CC2)c1 263453354 TXQSBPMGOBUWAT-WQVCFCJDSA-N 314.385 2.817 0 50 DFAA CC(=O)N(C[C@@H]1CCCN1Cc1csc(C2CC2)n1)C1CC1 328655421 YKEISIQVMBRZEL-INIZCTEOSA-N 319.474 2.996 0 50 DFAA CCOC(=O)COc1ccc(Br)cc1C(C)=O 47915206 NGJROWIAIGCUGO-UHFFFAOYSA-N 301.136 2.594 0 50 DFAA COc1ccc(C(=O)N[C@@H](C)C2=CCCCC2)c(OCCN)c1 426510109 KVGIUGZTCVITEN-ZDUSSCGKSA-N 318.417 2.651 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc(O)n1 180568366 XJHQWFAVRVCVHW-INIZCTEOSA-N 324.380 2.973 0 50 DFAA CCOCCNC(=O)c1ccc(-c2cncc(OC)c2)cc1 426420062 VUQVPQFYLDWAKB-UHFFFAOYSA-N 300.358 2.524 0 50 DFAA COc1cccc([C@@H]2CCN2C(=O)NCCCC(C)(C)CO)c1 426373604 KWZWCUPSQAIIKM-INIZCTEOSA-N 320.433 2.950 0 50 DFAA CC(C)c1cc(C(=O)N2CC[C@](CO)(c3ccccc3)C2)no1 292141072 JNLFAFNOXLHXCF-SFHVURJKSA-N 314.385 2.574 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@]3(CCCO3)CC2)s1 97301367 LONKSQONLPETIZ-HNNXBMFYSA-N 309.387 2.622 0 50 DFAA CC[C@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccnn1C 91951183 RSOHMEGHPRDIGR-NSHDSACASA-N 313.361 2.593 0 50 DFAA CCCCc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 239174019 PDBSLNJXIQZOJR-KLHDSHLOSA-N 315.369 2.622 0 50 DFAA Cc1cc(C)c(NC(=O)NCCOc2nonc2C)c(Cl)c1 96148323 VUDMLIBUPOBVNZ-UHFFFAOYSA-N 324.768 2.849 0 50 DFAA C[C@H]1CN(C(=O)CCOc2ccccc2Cl)C[C@]1(C)CO 620447712 JCOLWMDBSRNQMO-BLLLJJGKSA-N 311.809 2.586 0 50 DFAA Cc1ncsc1CCC(=O)NC[C@@H]1COc2ccccc2C1 91365142 USONXOCVSXXDIW-CYBMUJFWSA-N 316.426 2.752 0 50 DFAA Cn1nc2ccccc2c1C(=O)NCCc1cc(F)ccc1F 341340622 CEJUWNKIRNAJDV-UHFFFAOYSA-N 315.323 2.824 0 50 DFAA Cc1cccc(Cn2c[n+](CCCOc3ccccc3)cn2)c1 252489853 KCLBPCJRJNGIAP-UHFFFAOYSA-N 308.405 2.996 0 50 DFAA CN(CC(=O)Nc1ccc(Cl)cn1)Cc1cc(C2CC2)on1 252504510 VJQPQTQHQCKCKP-UHFFFAOYSA-N 320.780 2.671 0 50 DFAA CCCc1ncncc1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 534675295 JGXAVMZMYJOEII-LBPRGKRZSA-N 311.385 2.683 0 50 DFAA CN(Cc1ccsc1)C(=O)NCc1nc(C(C)(C)C)no1 534590820 XCGKRJMPZJNYCU-UHFFFAOYSA-N 308.407 2.770 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)NCC[C@H]2CCCOC2)c1 534632974 KSEQSBBBQNMINR-OAHLLOKOSA-N 305.422 2.657 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(O)nc3)cc2)c1C 360932801 YGERBRYNEXCLSN-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA Cc1cc(C)n(CCN2CCC[C@H]2c2nc(C(C)C)no2)n1 299785220 JWAGRZSRVIRNID-AWEZNQCLSA-N 303.410 2.843 0 50 DFAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)N2CCSCC2)cc1 299776865 DRMRFGNNGPJOCT-GFCCVEGCSA-N 319.430 2.783 0 50 DFAA COc1ccc(NC(=O)c2cc(C(C)C)no2)c2nonc12 824645537 NYNSNLJFKJIETF-UHFFFAOYSA-N 302.290 2.595 0 50 DFAA C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)O)C1)C(F)(F)F 630158051 QNFXFCVSMFQBPL-ZJUUUORDSA-N 309.328 2.924 0 50 DFAA CNc1ccc(C(=O)N[C@@H](c2ncon2)C(C)C)c(Cl)c1 952993156 DYLSFYFNKPEUML-GFCCVEGCSA-N 308.769 2.892 0 50 DFAA Cc1ccncc1N(C)C(=O)c1ccn(CCC(F)(F)F)n1 1875276076 KNKBQFOFYQXLNC-UHFFFAOYSA-N 312.295 2.816 0 50 DFAA O=C(C[C@@H]1Cc2ccccc2N1)Nc1ccc2c(=O)[nH]ccc2c1 1875350662 WIKDTFMHQUJUHF-HNNXBMFYSA-N 319.364 2.894 0 50 DFAA CCCN1CCC[C@@H](Nc2ncc(F)c(N3CCCC3)n2)C1 952974197 WENOAKQQVOIOCA-CYBMUJFWSA-N 307.417 2.502 0 50 DFAA CN(Cc1ccccc1F)C(=O)[C@@H]1CCCO[C@H]1c1cc[nH]n1 886082058 ZYONKNYJPFXNNR-CZUORRHYSA-N 317.364 2.675 0 50 DFAA c1ccc(-n2nccc2CCNc2ncnc3c2CCC3)cc1 895433570 KSOLFDNYNZBQMS-UHFFFAOYSA-N 305.385 2.806 0 50 DFAA C[C@H]1[C@H](O)C[C@H]2CC[C@H]1N2Cc1c(Cl)cccc1C(=O)O 634697221 CXJCRDMWIUMSGN-XEQNPHJVSA-N 309.793 2.772 0 50 DFAA CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccncn1 170089825 NIKPZRNQMULQNX-UHFFFAOYSA-N 306.753 2.673 0 50 DFAA CN(C)c1cccc(NC(=O)Nc2ccn(-c3ccccc3)n2)n1 170617035 VVWRJEBYGSIMQT-UHFFFAOYSA-N 322.372 2.977 0 50 DFAA CCCS(=O)(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 188433591 BGBRJYWPOIRXNT-LLVKDONJSA-N 303.374 2.884 0 50 DFAA COc1cccc2c1CC[C@H](Nc1ccc3c(c1)C(=O)NCC3)C2 683161131 VEDYPACXPYVOSN-HNNXBMFYSA-N 322.408 2.951 0 50 DFAA C[C@](CNC(=O)c1ccc(Cl)o1)(C(=O)O)c1ccccc1 193091740 WVWZANBSERHEEY-OAHLLOKOSA-N 307.733 2.705 0 50 DFAA CC(C)c1ccc2c(c1)[C@H](NC(=O)C1(O)CCOCC1)CCC2 195567720 OQCJFDUTABIPQT-QGZVFWFLSA-N 317.429 2.845 0 50 DFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1nc(C(=O)O)co1 1529113613 GTQADQXCIKDOQS-UHFFFAOYSA-N 320.736 2.535 0 50 DFAA CC(=O)c1cnc(N2CCC[C@](CO)(CC(C)C)C2)nc1C 1704304486 FKUOTPJDNWOPPH-KRWDZBQOSA-N 305.422 2.613 0 50 DFAA CCOC(=O)[C@H](Sc1nnc(N(C)C)s1)C(C)(C)C 600525158 HKWXNBOTEPRWBS-QMMMGPOBSA-N 303.453 2.674 0 50 DFAA C[C@H](C(=O)O)N(CCOc1ccccc1)C[C@H]1C[C@@H]2C[C@@H]2C1 1615547501 GDWVEFITWWFUPJ-LVQVYYBASA-N 303.402 2.887 0 50 DFAA Cn1ccc2c(C(=O)N3CC[C@@H](c4ncccn4)C3)cccc21 1616037088 BRHDOQLDRHRNEB-CYBMUJFWSA-N 306.369 2.598 0 50 DFAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H]1C1(O)CC1 1772814463 AVZGBUPMAKSBRY-CQSZACIVSA-N 309.793 2.543 0 50 DFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1C1(O)CC1 1772812045 GTTLRWOLAAQOLK-CYBMUJFWSA-N 313.319 2.764 0 50 DFAA CCOC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 5592163 BZVMJRQGHGHIQX-UHFFFAOYSA-N 307.733 2.893 0 50 DFAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNC1CCCC1 11947287 XUSOHJPFBLRAIX-IBGZPJMESA-N 322.493 2.843 0 50 DFAA O=C(O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(Cl)cc1Cl 13144948 PPJAJGGQNARTGA-CGYDSVCVSA-N 300.141 2.539 0 50 DFAA Cc1ccc(CS(=O)(=O)NCCCN2CCCCCC2)cc1 13674946 LJWDDUQVXUQYEF-UHFFFAOYSA-N 324.490 2.681 0 50 DFAA CNC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 13716798 JKJRKSDJVZTPBR-UHFFFAOYSA-N 302.761 2.881 0 50 DFAA CSCC(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 14964119 UPSGRPJEOGAJFT-INIZCTEOSA-N 306.475 2.563 0 50 DFAA O=C(NCc1cc(F)cc(F)c1)c1cn(C2CCCCC2)nn1 15066667 LEKNIDGHQXFYDT-UHFFFAOYSA-N 320.343 2.992 0 50 DFAA COC(=O)CCC(=O)N1CCC[C@H](Nc2ccc(C)c(C)c2)C1 15069478 UDQOPEJYCKRUNW-INIZCTEOSA-N 318.417 2.660 0 50 DFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1C(=O)O 4484412 YXOJQGBDLMCBMY-ZUZCIYMTSA-N 313.309 2.552 0 50 DFAA CC(C)n1nccc1CN1CCC[C@H]1c1ccc(N(C)C)nn1 643707836 HDXJLXSGXKRFNC-INIZCTEOSA-N 314.437 2.657 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CC[C@](C)(C(=O)O)C2)c1 237708366 URZZZFUNIZANRX-SFHVURJKSA-N 319.401 2.867 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1F 237979759 HUEIBQDESXYGNK-HERUPUMHSA-N 309.312 2.823 0 50 DFAA COC(=O)C1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 133322559 UHRZEEWIHCKIBY-UHFFFAOYSA-N 300.314 2.597 0 50 DFAA Cn1c(CN2CCC[C@@H](Oc3ccccc3)C2)nnc1C1CC1 369286959 DNIXDPHGOSZBII-MRXNPFEDSA-N 312.417 2.736 0 50 DFAA CC(C)c1ncncc1C(=O)Nc1ccc(CC(=O)O)c(F)c1 263202444 MOWGMLOTBADVMI-UHFFFAOYSA-N 317.320 2.619 0 50 DFAA O=C(O)c1ccc(CN2CCN3CCOc4cccc2c43)cc1 263413716 MJESGNMLKDGKLQ-UHFFFAOYSA-N 310.353 2.604 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)n1 932840553 GEONEJUNMVNGQW-LLVKDONJSA-N 319.365 2.819 0 50 DFAA Cc1nn(C)cc1CC(=O)Nc1c(-c2ccccc2)nc(C)n1C 2100542619 AWJNFJDYOVKJLM-UHFFFAOYSA-N 323.400 2.619 0 50 DFAA COC(=O)c1[nH]cc(CNCc2ccc3ccn(C)c3c2)c1C 2325812317 GKCCMQOUWRBJNL-UHFFFAOYSA-N 311.385 2.891 0 50 DFAA CSc1nc2sc3c(c2c2nncn12)CC(C)(C)OC3 183258 YKDOLGPLJVFFIA-UHFFFAOYSA-N 306.416 2.912 0 50 DFAA O=C(COc1cccc(Br)c1)Nc1nccs1 351079 LDVYNHJYTWPCHE-UHFFFAOYSA-N 313.176 2.923 0 50 DFAA Cn1ccnc1SCC(=O)Nc1nc2ccccc2s1 611805 STNJLOFRUPHKGE-UHFFFAOYSA-N 304.400 2.761 0 50 DFAA COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1 2052378 XEXZPBYTOCIDFN-UHFFFAOYSA-N 305.399 2.606 0 50 DFAA Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)o1 4868148 CVBNBUFPDWNAAX-UHFFFAOYSA-N 306.749 2.918 0 50 DFAA COc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1 101127675 HOHCAYRASQLOKU-FKGLVLAHSA-N 313.353 2.547 0 50 DFAA O=C(C1=CCCCO1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 225711067 SVVRXKKDHFSFBV-CQSZACIVSA-N 315.417 2.620 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 9059129 ONSMANZYPVHYDT-VIFPVBQESA-N 323.274 2.571 0 50 DFAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)N(C)CCOC 55060489 GLELXBDFHVZSHG-ZDUSSCGKSA-N 303.406 2.655 0 50 DFAA COc1cccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1 100001574 BDNKSSZGPHPQCQ-UHFFFAOYSA-N 324.336 2.505 0 50 DFAA Cc1nnsc1CN(C)Cc1cc(F)ccc1-n1cccn1 67559804 BQKKCINIPNWTNW-UHFFFAOYSA-N 317.393 2.803 0 50 DFAA CC(C)c1nc(CN2CCOC2=O)n(-c2ccc(Cl)cc2)n1 65406937 QTOKIAWQXFTSQP-UHFFFAOYSA-N 320.780 2.996 0 50 DFAA CC(C)c1cc([C@@H]2CCCN2C(=O)CCN2CCCCO2)no1 63882310 DQCBEQDZUBIEFO-HNNXBMFYSA-N 321.421 2.879 0 50 DFAA NC(=O)c1ccccc1NC(=O)c1csc2c1CCCC2 2764567 LOTXBNQKYDKPFN-UHFFFAOYSA-N 300.383 2.978 0 50 DFAA O=C(N1CCOCC1)N1CCCC[C@H]1CCc1cccs1 72126574 SPKHSUAGNIQHKG-AWEZNQCLSA-N 308.447 2.987 0 50 DFAA CC(C)Cc1nsc(N2CCC(Nc3cccnn3)CC2)n1 253420481 ZSRQMXHNAUUXGI-UHFFFAOYSA-N 318.450 2.608 0 50 DFAA COCCn1ccnc1CN1CCC[C@@H]1c1cc(C(C)C)on1 216519183 OFTZZZKRBIKTBP-OAHLLOKOSA-N 318.421 2.978 0 50 DFAA CCn1cnnc1[C@@H]1CN(C/C(C)=C/c2ccccc2)CCO1 328640347 QAZGYEIYFGNPCV-JMPLCFMRSA-N 312.417 2.775 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)c2ccccc2O1 172687186 DQQNVXKLDYYDIU-CYBMUJFWSA-N 322.368 2.786 0 50 DFAA O=C(c1cc(F)cc2ccoc12)N1CCC[C@@H]1c1ncon1 820113215 SHWIWFOZGMJCPG-GFCCVEGCSA-N 301.277 2.932 0 50 DFAA CCc1ccc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)[nH]1 219284940 ISCVDFMLLSBOBM-MRXNPFEDSA-N 313.401 2.794 0 50 DFAA COc1ccccc1N1CC[C@@H](CNc2nnc(C(C)C)o2)C1 450296875 GGZSSYGPLJSJFS-ZDUSSCGKSA-N 316.405 3.140 0 50 DFAA O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1C1CC1 40391416 SMYXZFRRGNNFFY-UHFFFAOYSA-N 321.315 2.580 0 50 DFAA O=S(=O)(NC1CC(c2ccc(F)c(Cl)c2)C1)C1CC1 239591406 BBGXNADFPWWFPH-UHFFFAOYSA-N 303.786 2.807 0 50 DFAA O=C(C[C@H]1C=CCC1)NCc1csc(-c2ncccn2)n1 223283698 QLOARFTXEKEVDQ-NSHDSACASA-N 300.387 2.573 0 50 DFAA Cc1nc(CN2CCN(c3nc(C)c(C)s3)CC2)oc1C 176704368 MBOQECPFDYSROP-UHFFFAOYSA-N 306.435 2.687 0 50 DFAA C[C@@H]1C[C@@H](N(C)CCCC(=O)O)CCN1Cc1ccccc1 176915443 DTVJTTTYELPIST-WBVHZDCISA-N 304.434 2.836 0 50 DFAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2c(C)coc2C)n1 289166709 RLQQSYXGVQSUSN-LBPRGKRZSA-N 318.377 2.528 0 50 DFAA COc1cc2c(cc1CNC(=O)[C@H]1CCCCCN1C)CCC2 95362684 DOBYTACKCNDRNC-QGZVFWFLSA-N 316.445 2.675 0 50 DFAA NC(=O)CCn1cc(-c2cccc(C(F)(F)F)c2F)cn1 96164795 ZOXGWAFWVJWUDR-UHFFFAOYSA-N 301.243 2.583 0 50 DFAA Cc1ccc2nc([C@H](C)NC(=O)c3cc(C)c(C)[nH]c3=O)[nH]c2c1 91468977 KODQBJGGMPXIMX-LBPRGKRZSA-N 324.384 2.667 0 50 DFAA CN(C)[C@@H](C(=O)NC1(CO)CCCCCC1)c1ccccc1F 95368652 ALJDMTSWAZXFOY-MRXNPFEDSA-N 322.424 2.630 0 50 DFAA O=C(CCC(=O)N1CCC[C@]2(CCOC2)C1)c1ccc(F)cc1 91998096 HUQHBBWTCMHBNR-SFHVURJKSA-N 319.376 2.818 0 50 DFAA Cc1nc(C(=O)NCc2ccc3c(c2)nc(C2CC2)n3C)c(C)o1 298454282 QDGMZXBWKROIKX-UHFFFAOYSA-N 324.384 2.986 0 50 DFAA O=C(NCc1ccoc1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299742135 HCQDRINCWWCNDL-HOCLYGCPSA-N 318.348 2.996 0 50 DFAA C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299744058 QPFTUEYCFPJVPN-PVUWLOKVSA-N 321.392 2.835 0 50 DFAA O=C(O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 261494880 PJGXBXGCPHCVLZ-UHFFFAOYSA-N 311.672 2.578 0 50 DFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)Nc1cnns1 299770151 POMSDPAGHVQCBO-GFCCVEGCSA-N 320.422 2.520 0 50 DFAA Cc1nc(C(F)(F)F)ncc1CN(C)C[C@H]1CCCCN1C 670455620 ZKWGOWWDUOFHFP-CYBMUJFWSA-N 316.371 2.720 0 50 DFAA COc1c(F)cccc1C(=O)N1CC[C@](O)(c2ccccc2)C1 584887323 FTGQSOFJTFINTM-GOSISDBHSA-N 315.344 2.568 0 50 DFAA Cc1oc(CN(C)C(=O)CC[C@H]2CC[C@H](C)O2)cc1C(=O)O 268936568 OEVIXZZPWMYGLD-CMPLNLGQSA-N 309.362 2.592 0 50 DFAA CCc1nc(C)c(C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)o1 952878784 ITTRVDLQVNYLIS-NRFANRHFSA-N 310.350 2.982 0 50 DFAA CC(F)(F)CCS(=O)(=O)Nc1cccc(-n2ccnc2)c1 888095957 GIYHGKBTWYHAOU-UHFFFAOYSA-N 315.345 2.659 0 50 DFAA C=CC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 1346082320 WKOJITDIIQKAGX-UHFFFAOYSA-N 315.398 2.771 0 50 DFAA Cc1ccc(O)cc1C(=O)N1CCC[C@@H]2c3[nH]cnc3CC[C@H]21 1775987342 GVQPBLRNBFYRST-XJKSGUPXSA-N 311.385 2.758 0 50 DFAA CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CCOC2)[C@@H]1Oc1ccccc1 274918692 OQZHXXISKVLWPL-YGTYDBBMSA-N 305.418 2.626 0 50 DFAA Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@@H]1CCc2ccccc2C1 275687143 WTNTZMKXTMBRMU-SQNIBIBYSA-N 311.429 2.787 0 50 DFAA Cn1ccc(Nc2ccc(C(=O)N3CCCSCC3)cc2)n1 585101414 JGFFFOWWEDKMRP-UHFFFAOYSA-N 316.430 2.743 0 50 DFAA CN(C)CCc1ccc(NC(=O)c2ncn3c2CCCC3)cc1 585121589 SWYSOYOOPSKVJM-UHFFFAOYSA-N 312.417 2.576 0 50 DFAA Fc1ccccc1COC1CCN(Cc2nncs2)CC1 585133751 TWGYAEUAZKVBDD-UHFFFAOYSA-N 307.394 2.858 0 50 DFAA O=C(Nc1cnc2c(c1)CNCC2)[C@H]1Cc2ccc(Cl)cc21 638152954 SYNTUHBHVYJTQV-HNNXBMFYSA-N 313.788 2.659 0 50 DFAA COc1ccc2oc(N3CCN(Cc4ccccn4)CC3)nc2c1 645104984 YANXAZGYMXRLAS-UHFFFAOYSA-N 324.384 2.554 0 50 DFAA O=C(O)[C@H](C(=O)Nc1ccc(-c2ncon2)cc1)C1CCCC1 663081805 HHCXTEPIOBMFLG-ZDUSSCGKSA-N 315.329 2.566 0 50 DFAA CC1=CC[C@H](N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C(C)C)CC1 668315244 HQHVGLCDENJODQ-HDMKZQKVSA-N 316.449 2.872 0 50 DFAA Cc1cccc(CN(CCn2cnnc2C)C[C@@H]2CCCO2)c1 1529159098 OBYLTIRJVOJTHM-SFHVURJKSA-N 314.433 2.576 0 50 DFAA O=C(Nc1cncc(Br)c1O)C1[C@@H]2CCCC[C@@H]12 129838804 FVODFSDYWKYBKX-HTQZYQBOSA-N 311.179 2.924 0 50 DFAA COc1cccc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)c1 1772810685 OEFDEYHSFUSPGV-MRXNPFEDSA-N 304.434 2.774 0 50 DFAA CC[C@H](C)Oc1ccccc1OCCN1C(=O)NC(C)(C)C1=O 5065384 LFHDZSLDJYEGOI-LBPRGKRZSA-N 320.389 2.573 0 50 DFAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC=C(C)C[C@@H]2C(=O)O)cc1 5306092 PZXQSBBZPPTBNY-GJZGRUSLSA-N 316.357 2.641 0 50 DFAA CSCCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 12028156 CTOCFSCQBIQZDE-INIZCTEOSA-N 306.475 2.563 0 50 DFAA CC(C)=CCN1CCC(=O)N(CCOc2ccccc2)CC1 12245017 BPIFYUQUWCJUMC-UHFFFAOYSA-N 302.418 2.566 0 50 DFAA CC(C)CN1CCC([C@@H]2CCN(C(=O)C3CCOCC3)C2)CC1 12597286 YFPCHGPTVBJEGU-GOSISDBHSA-N 322.493 2.630 0 50 DFAA COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCCO 13730803 ODGFCPJVFZMHOZ-AWEZNQCLSA-N 301.386 2.917 0 50 DFAA Cc1csc2ncc(C(=O)NCCC3=CCCCC3)c(=O)n12 16649532 NLEFOGKYDIDRQQ-UHFFFAOYSA-N 317.414 2.685 0 50 DFAA Cc1cnnc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)c1C 1857676196 DLKNVXFAKXMIKL-LJQANCHMSA-N 322.456 2.773 0 50 DFAA Oc1n[nH]c(Cn2ccnc2-c2cnc(-c3ccccc3)s2)n1 1857683934 RQTBHIQOECJYKG-UHFFFAOYSA-N 324.369 2.546 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1cn[nH]c1 352479975 FMQDQQAJLICADE-JOYOIKCWSA-N 324.153 2.597 0 50 DFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCc3ccccc3C1)OC2=O 167222 BCOOHAJVMHYSQG-MOPGFXCFSA-N 313.397 2.693 0 50 DFAA biogenic Cc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)n[nH]1 408469436 IYIKPFYCSVRVCI-CQSZACIVSA-N 320.343 2.688 0 50 DFAA C[C@H](NC(=O)N(C)C[C@H]1CCOC1)[C@@H](C)Oc1ccccc1 110666110 WCLWGNGUAAJTJY-RRFJBIMHSA-N 306.406 2.520 0 50 DFAA COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(CN)o3)C2)cc1 237296890 WSHPGDLRBZJETF-GXTWGEPZSA-N 314.385 2.765 0 50 DFAA CN(CCCC(=O)O)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 237272133 XTKRVKUGQYQVKH-VHSXEESVSA-N 313.756 2.906 0 50 DFAA CC(C)N(CCN1CCCCCC1)C(=O)CN1C[C@H]2CC[C@H]1C2 247999190 NKJABKUPSQQDRQ-ROUUACIJSA-N 321.509 2.584 0 50 DFAA Cc1nc([C@@H]2COCCN2C(=O)CC2(C)CCCCC2)no1 369441895 WOISPIYKEYDOKO-ZDUSSCGKSA-N 307.394 2.638 0 50 DFAA CN(C)[C@@H](C(=O)NCc1nccs1)c1ccc(Cl)cc1 585091098 XUBWSTUMXXQMBP-CYBMUJFWSA-N 309.822 2.716 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)c(F)c1 263517842 FOWJEVSQYRSLRN-CYBMUJFWSA-N 321.348 2.555 0 50 DFAA CC(C)c1cc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)no1 266342963 BYCMDPXYOVIYTG-UHFFFAOYSA-N 322.409 2.520 0 50 DFAA Cn1nc2c(c1CNc1nnc(C3CCCCC3)o1)CCC2 902041235 MXSAGJBGKZUTBN-UHFFFAOYSA-N 301.394 2.952 0 50 DFAA FC(F)(F)c1cncc(CN2CC[C@H](Nc3ncccn3)C2)c1 903023277 NRIYHVBKBXXVLT-ZDUSSCGKSA-N 323.322 2.577 0 50 DFAA FC1(c2ccccn2)CCN(Cc2noc3c2COCC3)CC1 930373401 LQSILHKYCPMERE-UHFFFAOYSA-N 317.364 2.603 0 50 DFAA O=C([C@H](O)c1cccc(C(F)(F)F)c1)N1Cc2ccncc2C1 857879461 FJMQOMHQTIITAI-CQSZACIVSA-N 322.286 2.676 0 50 DFAA CC[C@]1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 8767183 VDDONYFRUUSDOA-OAHLLOKOSA-N 301.371 2.774 0 50 DFAA Cc1nn(C)cc1-c1nn2c(-c3ccc(F)cc3)nnc2s1 40286870 HXMDFTPDERZWFP-UHFFFAOYSA-N 314.349 2.701 0 50 DFAA COc1cccc([C@@H](NC[C@H](O)CC(C)(C)O)C(C)(C)C)c1 2325760465 MHGTUJCLNWLPRZ-GDBMZVCRSA-N 309.450 2.894 0 50 DFAA CCCOC(=O)[C@H](C)OC(=O)C[C@@H]1CCc2sccc2C1=O 885859868 CYNSCHCFFNQLRU-QWRGUYRKSA-N 324.398 2.768 0 50 DFAA C[C@H]1Cc2n[nH]cc2CN(C(=O)c2cccc3cccnc23)C1 1471817085 HLXLAJPEFAJBLJ-LBPRGKRZSA-N 306.369 2.793 0 50 DFAA O=C(N[C@H]1[C@@H]2CN(CCCc3ccccc3)C[C@@H]21)c1ccccc1 958089705 YEJYHJUGUXUSJM-PMOLBWCYSA-N 320.436 2.979 0 50 DFAA O=C(COc1ccccc1Cl)NCc1ccc2c(c1)OCO2 435960 OHBVZKXDVWUWQC-UHFFFAOYSA-N 319.744 2.764 0 50 DFAA CCC(CC)C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 614931 WIAOUXZJCYKWNP-MRXNPFEDSA-N 318.417 2.970 0 50 DFAA Cc1nc2ccnn2c(N[C@H](C(=O)N(C)C)c2ccccc2)c1C 2356168011 LZVNZSPIOUEBHB-INIZCTEOSA-N 323.400 2.588 0 50 DFAA Cc1nc(CC(C)C)sc1C(=O)N1CC[C@H](CN(C)C)C1 113455965 SQPXTLKROVCFLM-CYBMUJFWSA-N 309.479 2.674 0 50 DFAA CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1 9184961 SIJSGJSRHZCGFE-UHFFFAOYSA-N 310.328 2.939 0 50 DFAA CCn1c(=O)c(C(=O)Nc2ccccc2O)c(O)c2ccccc21 100483291 RIKUKGBZSHDUPL-UHFFFAOYSA-N 324.336 2.685 0 50 DFAA Cc1ccc(O)c(C(=O)N(Cc2ccccc2)C[C@H](C)CO)c1 65380711 RQWUFLSRHIFWLS-HNNXBMFYSA-N 313.397 2.971 0 50 DFAA C[C@@H](Cc1cnccn1)Nc1ccc(-c2nc(C3CC3)no2)cn1 20256728 WXVMNPYISJUGQC-NSHDSACASA-N 322.372 2.842 0 50 DFAA COc1cc([C@H](C)NC2CCN(CC(F)(F)F)CC2)ccn1 348683224 OAMWOQXHOISHSJ-NSHDSACASA-N 317.355 2.768 0 50 DFAA CCN1CCO[C@H](CCNC(=O)Nc2ccccc2Cl)C1 67771111 WRZJZIZFTWQDEC-GFCCVEGCSA-N 311.813 2.572 0 50 DFAA Cc1cccnc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 20738826 UWHJYRRBSQDPKC-GOEBONIOSA-N 309.369 2.548 0 50 DFAA O=C1Nc2ccccc2[C@]12NCCc1c2[nH]c2ccc(F)cc12 20046463 DQADOBWPCNQWPS-GOSISDBHSA-N 307.328 2.648 0 50 DFAA biogenic CCn1cnc2c(NCc3ccc(-n4cccn4)cc3)ncnc21 356970130 DJSYKLJELQWPGL-UHFFFAOYSA-N 319.372 2.644 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)C2(CCCCC2)C1 252675926 VLPJHQBKHSEPLH-LVQVYYBASA-N 318.461 2.672 0 50 DFAA O=C(O)[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2cccs2)O1 318684789 GINWPLMMWULGMC-OLZOCXBDSA-N 317.366 2.986 0 50 DFAA Cc1ccc(CS(=O)(=O)C[C@@](C)(O)c2ccccc2)cc1 1386136 PRRKONXIJTXSSE-QGZVFWFLSA-N 304.411 2.818 0 50 DFAA CN(C(=O)C1CC(F)(F)C1)[C@H]1CCN(Cc2ccccc2)C1 355213675 LYDJHXWXGSDFER-HNNXBMFYSA-N 308.372 2.765 0 50 DFAA CCn1cnnc1[C@@H]1CN(Cc2ccc([C@@H]3C[C@H]3C)o2)CCO1 328639856 PRXDVJAIIVMZKY-XPKDYRNWSA-N 316.405 2.588 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72425289 SMBDYHXFPIOXQV-MRXNPFEDSA-N 319.445 2.889 0 50 DFAA CC(C)c1ncc(C(=O)NS(=O)(=O)C2CCCCC2)s1 123304379 OHBSNNANNXREDT-UHFFFAOYSA-N 316.448 2.659 0 50 DFAA CC(C)n1ncc2c1C[C@H](NC(=O)Nc1nccs1)CC2 253430914 OTDZQONAPDJCSU-LLVKDONJSA-N 305.407 2.600 0 50 DFAA COC(=O)[C@@H](C)CN1CCC(n2c(C)nc3ccccc32)CC1 253416940 VECRSUGDNRASSU-ZDUSSCGKSA-N 315.417 2.791 0 50 DFAA C[C@H](CCn1cccn1)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 253425507 OMXMUVPICXUACX-FHLIZLRMSA-N 316.424 2.836 0 50 DFAA O[C@H]1CCc2cnn(CCOc3ccc(F)cc3Cl)c2C1 358909698 VJASPQJEUYNMRL-LBPRGKRZSA-N 310.756 2.604 0 50 DFAA Cc1ccsc1C(=O)N1CCC([C@H](C)N2CCOCC2)CC1 72429234 YAGLAEAEDUNIOU-AWEZNQCLSA-N 322.474 2.629 0 50 DFAA CC(C)Nc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)ncn1 219878304 AXFKBVZDLPVIJQ-AWEZNQCLSA-N 310.401 2.893 0 50 DFAA Cc1ccc(NC(=O)c2nnc(CCCC(=O)O)s2)cc1 34927222 PXYKWRGUEYUEOR-UHFFFAOYSA-N 305.359 2.506 0 50 DFAA CC(C)=C(F)C(=O)Nc1cccc(C(=O)OC2CCNCC2)c1 236721536 OJVAZNKSMWDDLS-UHFFFAOYSA-N 320.364 2.797 0 50 DFAA COCc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1F 237189177 CZTLIFUHNCUQPP-AWEZNQCLSA-N 323.364 2.832 0 50 DFAA COCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)cc1 237204220 PJRYHCDSXWHYQI-OAHLLOKOSA-N 305.374 2.693 0 50 DFAA Cc1cc(CN2CCCN(C3Cc4ccccc4C3)CC2)on1 215701685 ZEDKSLSXIQQOJD-UHFFFAOYSA-N 311.429 2.658 0 50 DFAA CCc1nc(C)c(C(=O)N[C@H]2CC[C@H]2NC2CCCCC2)o1 72474705 JFHDXJGIWICTSZ-KGLIPLIRSA-N 305.422 2.729 0 50 DFAA C[C@H](c1cccc(-c2cc3nncn3c(N)n2)c1)N1CCCC1 215009392 QMHRZLPALDBSCD-GFCCVEGCSA-N 308.389 2.530 0 50 DFAA Cn1ccnc1CN(C[C@@]1(c2ccccc2)CCOC1)C1CC1 215235766 QPIMPFQQWJYZOT-IBGZPJMESA-N 311.429 2.743 0 50 DFAA O=c1ccc(-c2ccccc2F)nn1Cc1ncc(C2CC2)o1 340479390 RYQUPVCPADZRHX-UHFFFAOYSA-N 311.316 2.963 0 50 DFAA CCO[C@@H]1C[C@@]2(NC(=O)N(c3cscc3C)C2=O)C1(C)C 286014080 MOHFTCUEHXGEOF-ABAIWWIYSA-N 308.403 2.687 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c(C)c1 379265311 JNGDCIFAJZMZDI-DGCLKSJQSA-N 300.324 2.798 0 50 DFAA NC(=O)c1cc(NC(=O)c2ccc(Cl)c3cccnc23)c[nH]1 176741316 SGYUEMKMMXSBNM-UHFFFAOYSA-N 314.732 2.568 0 50 DFAA O=C(O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 177476209 PECMFOUOHLJRAT-HNNXBMFYSA-N 320.348 2.925 0 50 DFAA CCN(CCOC)C(=O)Nc1cnn(Cc2cccc(F)c2)c1 426574745 ODDFVAJPPXXRAQ-UHFFFAOYSA-N 320.368 2.571 0 50 DFAA Cc1cc(O[C@H](C)C(=O)N2CC[C@@H](CN)C2)ccc1C(C)C 178586538 NENIOYYDGPVNJT-CABCVRRESA-N 304.434 2.693 0 50 DFAA CC(C)(C(=O)NCc1nc(C2CCCCC2)no1)N1CCCC1 426515783 UKAXDCSGOFFHTK-UHFFFAOYSA-N 320.437 2.608 0 50 DFAA CN(CCCc1nccn1C)C(=O)c1cc2sccc2[nH]1 223030664 RVLHGJWTJBWYHX-UHFFFAOYSA-N 302.403 2.668 0 50 DFAA c1ccc(Cn2nncc2CN2CCCc3occc3C2)cc1 292831808 RHEVQWHHBJQJCY-UHFFFAOYSA-N 308.385 2.868 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@H](c2nc(C(=O)O)cs2)C1 141551892 KCWPSSFZITUOJZ-VIFPVBQESA-N 312.391 2.956 0 50 DFAA Cc1nc(CSCC2CC2)n(-c2ccccc2C(=O)O)n1 96180353 PSMZEAXSMWKHIS-UHFFFAOYSA-N 303.387 2.917 0 50 DFAA CN1CCC(N2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 22078480 WYGYCTLJQPBISB-MOPGFXCFSA-N 305.510 2.810 0 50 DFAA CCOC[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)cc1 95502371 GRVVWPPIYCNHIU-MRXNPFEDSA-N 314.389 2.905 0 50 DFAA c1cncc(-c2cc(CN3CCC(c4cc[nH]n4)CC3)on2)c1 244659627 HGCQNNNCBVCOMC-UHFFFAOYSA-N 309.373 2.839 0 50 DFAA CC(=O)N[C@H](C(=O)NCc1ccc2sccc2c1)C(C)C 244858673 VQCVYZLDQAJMNZ-HNNXBMFYSA-N 304.415 2.678 0 50 DFAA C[C@H](C(=O)NCCCNc1cccnc1)N(C)C1CCCCC1 252488400 IREFJQXCXZZQMZ-OAHLLOKOSA-N 318.465 2.653 0 50 DFAA O=C(CSC[C@@H]1CCCCO1)N1CCCc2cccc(O)c21 182946624 UFODRJGUMCACCC-AWEZNQCLSA-N 321.442 2.974 0 50 DFAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)C1 299749225 JMUNSHIEEYYMQQ-KFWWJZLASA-N 316.401 2.596 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(C)Cc1cccnc1)CC2 299742123 HADMHKVVEJCXQG-CQSZACIVSA-N 312.417 2.692 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3scc4c3CCCC4)C2)n1 299765904 CYIXNUAYBRLPBD-LLVKDONJSA-N 317.414 2.948 0 50 DFAA CCCc1cc2c(=O)n([C@@H](C)c3cnn(C)c3)cnc2s1 584887972 XQTIZOSFSFJROJ-JTQLQIEISA-N 302.403 2.753 0 50 DFAA CSc1nc2ccccc2c(C)c1NC(=O)[C@@H]1COCCO1 585114390 HIJVHOUYKMCUEY-ZDUSSCGKSA-N 318.398 2.619 0 50 DFAA C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)n1cc(Cl)cn1 1875253645 PIXUCUDPUJKUKL-ZWNOBZJWSA-N 305.765 2.738 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CCOC(C)(C)C2)[nH]1 1875266014 MOJJJJPPHJFTIZ-AWEZNQCLSA-N 312.417 2.886 0 50 DFAA Cc1cccc([C@H]2C[C@H](NC(=O)N(C)CC(C)(C)CN)C2)c1 1775986523 WGMUPSDNAVDYPI-WKILWMFISA-N 303.450 2.867 0 50 DFAA Cc1ccccc1-c1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1 1565525187 RZAUQAVGNUUXQL-ICSRJNTNSA-N 311.425 2.837 0 50 DFAA CC(C)[C@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1N(C)C 1565515985 CMJCELLRWIMRMH-CVEARBPZSA-N 314.433 2.755 0 50 DFAA CCC[C@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@@H]1N(C)C 1565528136 JBBHMQYCLVDHQV-HOTGVXAUSA-N 304.434 2.806 0 50 DFAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc3n(n2)CCCO3)o1 408275304 XJZUOSMVMWIWCB-ZDUSSCGKSA-N 301.346 2.544 0 50 DFAA Cc1cccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1C 408517267 FEAJXZDWEFVIBB-OAHLLOKOSA-N 316.445 2.629 0 50 DFAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cncnc4)C3)nc2c1 273925316 DVYQCHHQJYHSTH-ZDUSSCGKSA-N 321.384 2.681 0 50 DFAA COc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)ccc1C(=O)O 630185054 VXOFPKHRYQCMAD-YRSIJOKUSA-N 301.342 2.624 0 50 DFAA COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1cc(C)on1)CC2 277328250 YBXFCXLRRSZTGQ-OAHLLOKOSA-N 300.358 2.680 0 50 DFAA C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)N=c2cc[nH]cc2)C1 631507687 VKJNKEGUIJNARX-DZUCGIPZSA-N 317.433 2.687 0 50 DFAA Cc1scc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)c1C 633969469 IHSWBJJATZJYKE-UHFFFAOYSA-N 323.439 2.698 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1Cc1cccc2c1CCOC2 634693249 TVEMDXSBGHJUSW-INIZCTEOSA-N 303.402 2.979 0 50 DFAA Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)Oc2cccnc2)cs1 188119650 AAIZSLSDAPERRY-IAQYHMDHSA-N 317.414 2.978 0 50 DFAA Cc1noc2cc(NS(=O)(=O)c3cn(C(C)C)cn3)ccc12 585119135 SUWFIMKRNBJPOW-UHFFFAOYSA-N 320.374 2.714 0 50 DFAA CO[C@H](C)CS(=O)(=O)N[C@H](C)c1cc2ccccc2s1 195233354 XGWPNRYGPZLHAZ-GHMZBOCLSA-N 313.444 2.917 0 50 DFAA CC(C)CCc1ccc(N2C(=O)N[C@@](C)(CCF)C2=O)nc1 656581638 MBVAZDYERMLDIP-INIZCTEOSA-N 307.369 2.845 0 50 DFAA Cc1cc(Nc2ncnc3c2nnn3C)nn1C1CCCCC1 663922542 YFJKLDPBGRUSIV-UHFFFAOYSA-N 312.381 2.512 0 50 DFAA CCN(C)C(=O)c1ccc(N(CC)C[C@@H]2CCCCO2)nc1 1529185847 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2100483760 MMBCBNMNIYHAAE-UHFFFAOYSA-N 312.398 2.766 0 50 DFAA C[C@@H]1OC(=O)N[C@@H]1C(=O)NCCc1cccc(-c2ccccc2)c1 841405402 SGGWQKIOWJCASB-GUYCJALGSA-N 324.380 2.509 0 50 DFAA Cc1cc([C@@H](O)CN(C)Cc2cc3ccccn3n2)ccc1O 2325779716 ZKLUZZBBFALUFW-SFHVURJKSA-N 311.385 2.514 0 50 DFAA O=C(CC[C@@H]1CCCO1)N(Cc1ccccc1)C1CCNCC1 2325797793 UKBYAVFYGNGYNW-SFHVURJKSA-N 316.445 2.726 0 50 DFAA CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 68010 TXSKESMMSDKVJC-UHFFFAOYSA-N 323.396 2.607 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)cc1 255242 VUASKAHXSOQJIX-UHFFFAOYSA-N 301.371 2.683 0 50 DFAA CCC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1nnn[nH]1 245958630 WZECYYYQVJMWOE-SYQHCUMBSA-N 305.426 2.764 0 50 DFAA C[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)CN(C)C 4725320 DVOFZVAMOMSJPK-SNVBAGLBSA-N 319.232 2.686 0 50 DFAA Cc1ccc(-n2c(C)nnc2SCC(=O)N2CCCC2)cc1 4835977 RZXYCYMSPGXATC-UHFFFAOYSA-N 316.430 2.599 0 50 DFAA Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccco2)CC1 6699600 WEOYWOUCONJMEM-UHFFFAOYSA-N 313.357 2.578 0 50 DFAA COCCCC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 118517577 FSJMOKSPAZCRFE-LBPRGKRZSA-N 306.189 2.570 0 50 DFAA Cc1cncc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 55199523 WLQYKZSVXQKCFS-KRWDZBQOSA-N 311.385 2.606 0 50 DFAA Cc1cc(C)n([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1 100447982 UURNHXKENLZKKK-ZDUSSCGKSA-N 303.749 2.658 0 50 DFAA O=C(Nc1cnc2n1CCCC2)c1cccc(-c2ncc[nH]2)c1 67868014 BHSJQHDGEHKVOG-UHFFFAOYSA-N 307.357 2.862 0 50 DFAA c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2 20470300 UXYJCYXWJGAKQY-HNNXBMFYSA-N 323.348 2.800 0 50 DFAA biogenic,in-vitro O=C(N1CCCC1)N1CCc2[nH]nc(-c3cccs3)c2C1 23214179 ZFWNIXCGAYGDSP-UHFFFAOYSA-N 302.403 2.712 0 50 DFAA C[C@@H](C(=O)N(C)Cc1cc(C2CC2)[nH]n1)n1cnc2ccccc21 67756212 UMZNNCNLEZZFQX-LBPRGKRZSA-N 323.400 2.856 0 50 DFAA C=C(C(=O)OC)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 114259480 XTHKWMJJDXMJHI-UHFFFAOYSA-N 301.339 2.845 0 50 DFAA Cc1cc(C)n(Cc2cccc(-c3nc(CN(C)C)no3)c2)n1 67562888 YIEUBONFMUMQPQ-UHFFFAOYSA-N 311.389 2.660 0 50 DFAA CC(C)N1CCC[C@H](CCNC(=O)c2ccc3[nH]cnc3c2)C1 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Cc1nc(C)c(C)c(N2CCC[C@](O)(C(F)(F)F)CC2)n1 376261799 HLTSRDNDPFKNKZ-CYBMUJFWSA-N 303.328 2.686 0 50 DFAA Cc1nc(CC(=O)N2CCC[C@H]2c2c(C)noc2C)cs1 72473574 OQZXQNLRXNWKRX-ZDUSSCGKSA-N 305.403 2.963 0 50 DFAA Cc1csc(N2CCN(Cc3c(C)noc3C)C[C@H]2C)n1 241644170 POVUWOWQCWKPDJ-LLVKDONJSA-N 306.435 2.767 0 50 DFAA C[C@H]1Cc2ccccc2N(C(=O)c2cncc(-n3ccnn3)c2)C1 338522407 AHJMJFTUTXOPLV-ZDUSSCGKSA-N 319.368 2.501 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)Cc1c(F)cccc1Cl 220302242 ONWUVDWNYMOVHT-SNVBAGLBSA-N 324.787 2.901 0 50 DFAA COc1ccc([C@H](NC(=O)[C@H](C)C2CC2)c2nccn2C)cc1 178401863 VAUHBFBGTMOZQY-WBMJQRKESA-N 313.401 2.680 0 50 DFAA O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CCCCCN1 220423640 ODQMMNQHJGULJQ-CQSZACIVSA-N 314.351 2.896 0 50 DFAA Cc1cc2ccccc2n1CCN(C)C(=O)N[C@H](C)CN(C)C 426374457 YSQGREGKBXBLBP-CQSZACIVSA-N 316.449 2.541 0 50 DFAA COC(=O)c1cc(OC)c2c(c1)N(C(=O)OC(C)(C)C)CC2 149309747 BZMCYTNCKDHCEQ-UHFFFAOYSA-N 307.346 2.779 0 50 DFAA NC(=O)c1cccc2c1CCCN2C(=O)C1CCC(F)(F)CC1 178991652 GZXLZGCQVNRLAH-UHFFFAOYSA-N 322.355 2.890 0 50 DFAA Cc1nc2c(c(NC[C@@H]3CCOC3)n1)Cc1ccccc1OC2 97370255 YXUMVPKBVLTGSG-ZDUSSCGKSA-N 311.385 2.717 0 50 DFAA CNC(=O)c1ccc(CNc2nc(C)nc3ccsc23)o1 91724686 BCWBNGUIZKMWAZ-UHFFFAOYSA-N 302.359 2.564 0 50 DFAA CCC1=NO[C@H](CNC(=O)Nc2cccc(-n3cccn3)c2)C1 97716768 JBZAVMQXJQAYRE-HNNXBMFYSA-N 313.361 2.549 0 50 DFAA CCn1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)cn1 91858964 PSCFPZISLWVJQQ-DLBZAZTESA-N 313.401 2.512 0 50 DFAA O=c1cc(CNCCc2ccccn2)[nH]c2c(Cl)cccc12 95387330 QYZFWKPTVFREPH-UHFFFAOYSA-N 313.788 2.909 0 50 DFAA COc1cc(NC(=O)N2CCC[C@H](N(C)C)CC2)ccc1C 96148945 SGPHCVKZWALKTM-HNNXBMFYSA-N 305.422 2.952 0 50 DFAA COc1ccccc1OCCN1CC(N2CCCC[C@H]2C)C1 244872797 WENOGXFDRFGFKJ-OAHLLOKOSA-N 304.434 2.633 0 50 DFAA Cn1cc(-c2cc(CN3CCc4sccc4C3)on2)cn1 184975654 MQHISNVTDHYZIL-UHFFFAOYSA-N 300.387 2.695 0 50 DFAA CCCCOC(=O)c1c(O)nc(C)c(Br)c1O 257173488 OTGBATSSUDLTKB-UHFFFAOYSA-N 304.140 2.521 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 261507493 JDIQWDPFCQVSKR-LDYMZIIASA-N 301.280 2.649 0 50 DFAA COc1c(C)cc(NC(=O)NCc2c(C)n[nH]c2C)cc1C 299789972 AHNWZFWUIBCTTO-UHFFFAOYSA-N 302.378 2.974 0 50 DFAA CCCOc1ccccc1-c1nc(CC(N)=O)nn1C(C)(C)C 822985458 BDXXMXCGHSRVMM-UHFFFAOYSA-N 316.405 2.517 0 50 DFAA CCc1cc2c(=O)n(CCc3c(C)n[nH]c3C)cnc2s1 584903103 PUHLBNCADHVXOJ-UHFFFAOYSA-N 302.403 2.603 0 50 DFAA NC(=O)Cc1ccc(CN[C@@H]2CCOCC23CCCCC3)cc1 1875285409 MPCUCRWRMNKURO-QGZVFWFLSA-N 316.445 2.543 0 50 DFAA C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(-c3ccc(CN)cc3)c2)C1 1875315355 QGSYEWHJQJINPE-IFXJQAMLSA-N 324.424 2.655 0 50 DFAA C[C@H]1c2ccccc2NC(=O)CN1C(=O)c1ccc(N(C)C)cc1 1875359498 GAIICRPAPYOCMI-ZDUSSCGKSA-N 323.396 2.908 0 50 DFAA Cc1ncn(CCNCc2cn(C)nc2-c2ccccc2)c1C 952869856 NMKZNTDTTSSUHX-UHFFFAOYSA-N 309.417 2.690 0 50 DFAA O=C(c1cccc(Oc2ccc(Cl)cn2)c1)N1CC[C@H]1CO 889162108 LWHPUMFQKONJFD-ZDUSSCGKSA-N 318.760 2.734 0 50 DFAA Cc1ccc(N2CCC[C@H](Nc3nccc(N(C)C)n3)C2)cc1 301775915 QTSQRRJNDVYAGE-HNNXBMFYSA-N 311.433 2.932 0 50 DFAA C[C@@H](c1cnn(C)c1)c1nc([C@H]2CCOC3(CCC3)C2)no1 897112371 MOFBBLKZBVDSFG-RYUDHWBXSA-N 302.378 2.772 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1scnc1Cl 408526083 ORFXTEUMWPDOST-YIZRAAEISA-N 314.794 2.654 0 50 DFAA Cc1cccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)n1 170648695 IWGBMPPYKDWVPH-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)c(C)c1 187403966 LMPBNEMEQZLUSY-UHFFFAOYSA-N 313.405 2.689 0 50 DFAA CCC1=C(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)CCCO1 189494261 LTQDLLPCMQAMON-AWEZNQCLSA-N 317.433 2.676 0 50 DFAA Cc1nn(C)cc1NC(=O)NCc1nc2ccccc2s1 189632066 URAFNUHEMNVYOO-UHFFFAOYSA-N 301.375 2.660 0 50 DFAA Cc1nn(C(C)C)cc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)O)C1 656238609 QGULKAWMOONGDF-CYBMUJFWSA-N 321.421 2.735 0 50 DFAA O=C(NC[C@H]1CCN(CC(F)F)C1)c1cc2ccsc2[nH]1 1434317800 WQCJDHDUTONJOX-SECBINFHSA-N 313.373 2.546 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@@H]21 1704306545 WJPDHMLSKLTGGY-DIOULYMOSA-N 308.809 2.748 0 50 DFAA Cc1cnc2c(c1)N(C(=O)c1ccnc(OC(C)C)c1)CCN2 1614974121 JBCNNSVKASUSOG-UHFFFAOYSA-N 312.373 2.645 0 50 DFAA C[C@H]1CCCN(C(=O)c2nn(C)c(Cl)c2C(F)(F)F)C1 1615586097 IKEDUXKBIUPHOW-ZETCQYMHSA-N 309.719 2.964 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCCO 1615590381 NOASYIXQJJHBQC-HUUCEWRRSA-N 314.470 2.630 0 50 DFAA CN(CC[C@H]1COCCO1)CC1(N2CCCCC2)CCCCC1 1775979555 KATSYXBLNPSMQV-SFHVURJKSA-N 324.509 2.913 0 50 DFAA COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1 5120251 SEOHEMTUYUYOEC-LLVKDONJSA-N 309.362 2.874 0 50 DFAA COc1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1 5094675 GYLDAGZHXJADTA-UHFFFAOYSA-N 314.176 2.997 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2C)cc1 16577912 AKXZCHFPMWWUHA-UHFFFAOYSA-N 318.398 2.895 0 50 DFAA CCC(=O)c1cc(C(=O)Nc2cnc3[nH]ncc3c2)ccc1F 1639404506 VRGPOWDWFUCXPH-UHFFFAOYSA-N 312.304 2.942 0 50 DFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CC=C[C@@H]1CC 1857731297 OXBBHMAQJXHCTF-NSHDSACASA-N 314.414 2.953 0 50 DFAA Cn1cc(CNc2ncnc(N)c2Cl)c(-c2ccccc2)n1 302851190 PZAWQOWLAZTOTQ-UHFFFAOYSA-N 314.780 2.725 0 50 DFAA COc1ccc2cc(C(=O)N[C@@H](CC3CC3)C(=O)O)sc2c1 630156883 JKVBTRPKERZFEC-LBPRGKRZSA-N 319.382 2.893 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1csc(CN)n1 237243747 CGBSXRXOXRHILJ-ZDUSSCGKSA-N 317.414 2.588 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 238206163 KHRILHDXDXABLN-CQSZACIVSA-N 317.366 2.660 0 50 DFAA CCOc1ccc([C@@H](C)NC(=O)N2CCCCO2)cc1OC 253393304 ZRKKKKQTJWJJCW-GFCCVEGCSA-N 308.378 2.892 0 50 DFAA C1=C[C@H](N2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)CCC1 253416328 BWRXUYCRPPHTBN-ROUUACIJSA-N 324.428 2.808 0 50 DFAA COc1cc(C(=O)N2CCC[C@H](N)C2)ccc1OC1CCCC1 158107363 PTQRDECHWGNYNH-AWEZNQCLSA-N 318.417 2.580 0 50 DFAA CCc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)oc1CC 262868048 FVLIQPHMLWTARA-ZOWXZIJZSA-N 305.374 2.730 0 50 DFAA Cc1cc(CN2CCN(c3ccccc3)[C@@H](C)C2)oc1C(=O)O 903956312 BJQOOBCCGDZYMC-AWEZNQCLSA-N 314.385 2.997 0 50 DFAA O=C(c1cc(Br)co1)N1CCC[C@@H](CCO)CC1 331663141 QMZJNYDOFLXHJS-SNVBAGLBSA-N 316.195 2.667 0 50 DFAA C[C@@H]1CN(c2ccc(Nc3ncc4cccnc4n3)cc2)CCO1 2325792929 WHFNDFHBKPYHAZ-CYBMUJFWSA-N 321.384 2.994 0 50 DFAA FC(F)(F)c1ccc(OC2CCN(c3cnccn3)CC2)nc1 895691664 HUZQAXXTXAJXEU-UHFFFAOYSA-N 324.306 2.938 0 50 DFAA c1cc2c(cc1OCCOc1ccc3c(c1)OCO3)OCO2 113141019 FVOKJGWHDWJQTC-UHFFFAOYSA-N 302.282 2.602 0 50 DFAA CN(C)C1=C(Cl)C(=O)N(c2cccc(C(F)(F)F)c2)C1=O 271607 QYNITUJCLAQHFY-UHFFFAOYSA-N 318.682 2.591 0 50 DFAA COc1cccc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)oc12 2707886 LBQSKMGZOMNPFR-VXGBXAGGSA-N 315.369 2.920 0 50 DFAA biogenic CC(C)SCCNC(=O)Nc1cccc2c1CN(C)C2=O 417261878 HTRINQPQTKPEDQ-UHFFFAOYSA-N 307.419 2.535 0 50 DFAA COc1cc2nc(N3CCC[C@@H](CO)C3)cc(C)c2cc1OC 23633962 GIWXZNXOLHIPSG-CYBMUJFWSA-N 316.401 2.769 0 50 DFAA Cc1sc2nc(C)n(Nc3ccc(O)cc3)c(=O)c2c1C 22780455 MSIDKTYZOKNAOG-UHFFFAOYSA-N 301.371 2.964 0 50 DFAA O=C(O)c1c(Cl)c(I)nc2[nH]ccc12 66054285 SBHVWSMYWJTPSU-UHFFFAOYSA-N 322.489 2.519 0 50 DFAA CN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1 20639542 GQTJCULGXVQYFK-UHFFFAOYSA-N 310.441 2.904 0 50 DFAA Fc1ccccc1-c1noc2c1CN(C1CCNCC1)CC2 67894328 MHMCLWLEAFZISC-UHFFFAOYSA-N 301.365 2.591 0 50 DFAA CN1C(=O)C[C@@H](C(=O)NCCc2ccccc2)[C@H]1c1ccccc1 20744825 MTSVYNPGJJVOAV-IEBWSBKVSA-N 322.408 2.565 0 50 DFAA C[C@@H](Cc1cn(CCCN2CCCC2=O)nn1)c1ccccc1 67641985 DPNIYCWWDAYGHF-HNNXBMFYSA-N 312.417 2.637 0 50 DFAA Cc1cc(F)cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c1 322428847 BKLYCUSKSRFMLG-MRXNPFEDSA-N 313.328 2.958 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 128592432 NIIUFRAOAAKVMG-COPLHBTASA-N 309.312 2.534 0 50 DFAA Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccccc1 33086854 BUYWJGKDZAMQOL-AWEZNQCLSA-N 306.387 2.817 0 50 DFAA Cc1cc(C)n(Cc2nc3c4c5c(sc4ncn3n2)CCC5)n1 2786298 PFIOUIDMVGRLAW-UHFFFAOYSA-N 324.413 2.689 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2C)c1 32602365 DJTQTVDZBWTCJS-UHFFFAOYSA-N 318.398 2.512 0 50 DFAA NC(=O)CN1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 72156077 ALMLXPIKPNFSOJ-LBPRGKRZSA-N 314.351 2.835 0 50 DFAA COc1ccc([C@H](C)NC(=O)[C@H]2CCN(C)[C@@H](C)C2)cc1OC 241776752 RSDGZGBRCJZGRI-YDHLFZDLSA-N 320.433 2.611 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc2cn[nH]c12 237060301 GODIUKCJRCNYAY-UHFFFAOYSA-N 309.325 2.533 0 50 DFAA Cc1ncsc1CCN(C)C(=O)COCc1ccccc1 72428987 WXHUJXNMJMQAIW-UHFFFAOYSA-N 304.415 2.669 0 50 DFAA Cn1cc(CCC(=O)N(Cc2ccncc2)Cc2ccco2)cn1 216178849 DKTWMZHIDOJJKX-UHFFFAOYSA-N 324.384 2.570 0 50 DFAA Cc1ccccc1N1CCN(C(=O)c2cc(C3CC3)n[nH]2)[C@H](C)C1 77387406 CTLNLQDEDKPVRD-CQSZACIVSA-N 324.428 2.946 0 50 DFAA Cc1nc(CN2CCC[C@H](c3nnc4n3CCC4)C2)sc1C 176362396 FEJJTFSZOWTYOR-ZDUSSCGKSA-N 317.462 2.677 0 50 DFAA COc1cccc([C@H]2CCN(C(=O)C3CC=CC3)C2)c1OC 220575086 PDUFSRBNZQDFFI-AWEZNQCLSA-N 301.386 2.986 0 50 DFAA CCC[C@@H](NC(=O)c1nnc2nc(C)ccn12)c1cccs1 426409260 YKYAVFYAMBUESP-LLVKDONJSA-N 315.402 2.765 0 50 DFAA CSCCCNC(=O)c1cccc(-c2cccc(N)n2)c1 426429069 YVQIMUKRNCKPHW-UHFFFAOYSA-N 301.415 2.814 0 50 DFAA O=C(O)c1ccc(/C=C/C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 237951051 ITPIHAXLFCWINB-MOVUHUBBSA-N 315.369 2.568 0 50 DFAA CSc1ccc2c(c1)CCN(C(=O)c1cn3cccnc3n1)C2 97729647 DUYIRVUKEGESPV-UHFFFAOYSA-N 324.409 2.650 0 50 DFAA COc1cc(-c2cc(C)ccc2OCC(N)=O)c(Cl)cn1 96148709 JQVFATAOYOIRET-UHFFFAOYSA-N 306.749 2.583 0 50 DFAA CCCCn1nc(CCSC)nc1Cc1c(C)n[nH]c1C 96132747 MGGDXELVQVOUDK-UHFFFAOYSA-N 307.467 2.914 0 50 DFAA COc1ccccc1N1CC[C@H](Nc2ncc(Cl)cn2)C1 268211456 IFNFMIYIGKMJIR-LBPRGKRZSA-N 304.781 2.829 0 50 DFAA CCc1cc(C(=O)N[C@H](C)c2nc(C)sc2C)cc(O)n1 299777270 NHDSBRUQOKLEKZ-MRVPVSSYSA-N 305.403 2.914 0 50 DFAA CC(C)(C)c1nc(C(=O)N2CC3(CCCC3)[C@@H]2C(=O)O)cs1 585134516 XLYAYIGEBWHNOW-NSHDSACASA-N 322.430 2.910 0 50 DFAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)c1cc(Cl)ccc1O)C2 584900460 AGHXUFJIGRUYDD-AAEUAGOBSA-N 308.809 2.602 0 50 DFAA Cc1cccc(CC2(NC(=O)N(C)Cc3ncc(C)[nH]3)CC2)c1 584891819 PZYUIXVROCPFSP-UHFFFAOYSA-N 312.417 2.943 0 50 DFAA CCCC1(CCC)CCCN1C(=O)c1ccc(=O)n(CC)n1 874627189 NNNMLYLOQUMHQH-UHFFFAOYSA-N 305.422 2.838 0 50 DFAA CCn1cnc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)c1 874642443 QZFFIVFNAPGXJO-SECBINFHSA-N 312.295 2.808 0 50 DFAA CCO[C@H]1C[C@@H](n2nnnc2N2CCC[C@H]2c2ccsc2)C1 952880774 XHIXUNPUGXAWHP-MJBXVCDLSA-N 319.434 2.816 0 50 DFAA O=C(C[C@@H]1CCCO1)Nc1ccc(O)cc1Br 1875273727 OUCUENNBDUIIMG-VIFPVBQESA-N 300.152 2.662 0 50 DFAA C=CC(=O)N(Cc1ccnn1CC1CC1)C1Cc2ccccc2C1 1875382444 BHUACSGLJNYZCF-UHFFFAOYSA-N 321.424 2.975 0 50 DFAA Cn1cnnc1CN1CCC[C@]1(C)Cc1ccc(F)c(F)c1 879454027 YWGJQKLFIYBUNU-MRXNPFEDSA-N 306.360 2.691 0 50 DFAA CCc1nc[nH]c1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 889085019 ZQKDPJUFKUNAEJ-HOMQSWHASA-N 305.328 2.926 0 50 DFAA Oc1cc(Cl)cc(CN2CCC[C@H](Cn3cncn3)C2)c1 891419313 VNZZRWKSHHGHRS-LBPRGKRZSA-N 306.797 2.549 0 50 DFAA Cc1nc(O)c2ccc(C(=O)N(CC(F)F)C3CCC3)cc2n1 895138390 UGDCYQOVTZNVQW-UHFFFAOYSA-N 321.327 2.904 0 50 DFAA CC(C)(C)c1coc(CNC(=O)N[C@@H]2C[C@H]2c2ccco2)n1 895395034 FYGSEZWKMVLQQY-GHMZBOCLSA-N 303.362 2.920 0 50 DFAA CN(Cc1ccccn1)C(=O)CCN1CCCc2ccccc21 1775997868 ODRHLXSDUZTSLP-UHFFFAOYSA-N 309.413 2.883 0 50 DFAA CCOC(=O)[C@@](C)(NC(=O)[C@H](C)c1cccs1)C(F)(F)F 1361970281 LODBJMALNBHDOR-PRHODGIISA-N 323.336 2.852 0 50 DFAA CC(C)[C@@H](CNC(=O)c1ccnc2ccnn12)Nc1ccccc1 629945819 TXIFCEQOWFKGJD-OAHLLOKOSA-N 323.400 2.596 0 50 DFAA Cc1cc(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)ccn1 271130490 MVALSUXRYCBEGX-UHFFFAOYSA-N 319.405 2.976 0 50 DFAA Cc1cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)c(C)o1 275376014 OITONFMGSAWCDS-ZDUSSCGKSA-N 319.361 2.617 0 50 DFAA COc1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl 280238028 KHQUGZFXHNGOBZ-BLLLJJGKSA-N 311.809 2.728 0 50 DFAA CCn1c(CCNC(=O)[C@@H]2CCCO[C@@H]2C)nc2ccccc21 190471312 MGINOQUJJPGOKT-ZIAGYGMSSA-N 315.417 2.530 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccnn1CCc1ccccc1 190857915 ZFXQZXZNYKTJFC-HOCLYGCPSA-N 313.401 2.879 0 50 DFAA C[C@@H](NC(=O)c1ncc[nH]1)c1ccc(OCC(F)(F)F)cc1 667193910 GVKMKMQSINMHGV-SECBINFHSA-N 313.279 2.842 0 50 DFAA Cc1cc(NC(=O)C[C@H]2CCCOC2)ccc1C(=O)NC(C)C 193203775 GNLNQUCVZMCBEE-CQSZACIVSA-N 318.417 2.888 0 50 DFAA Cc1nc([C@@H](NC[C@@H]2CCC=CO2)c2ccccc2F)no1 194457540 YROHSMHFGXGMMK-WFASDCNBSA-N 303.337 2.889 0 50 DFAA Cc1ccc(CNCCC(=O)NCc2cccnc2)cc1Cl 195439634 DRFQDTOOOFTIKR-UHFFFAOYSA-N 317.820 2.840 0 50 DFAA C[C@@H](c1ccccc1F)N1CCC(c2ccnn2CCO)CC1 195509691 QILBTUULYAZXJT-AWEZNQCLSA-N 317.408 2.955 0 50 DFAA OCC1([C@H](NCc2c(F)cccc2F)[C@@H]2CCCO2)CCC1 585116495 YPCIQGZEFNBZEF-JKSUJKDBSA-N 311.372 2.765 0 50 DFAA CCc1cc(C)nc(N[C@@H](CO)Cc2c[nH]c3ccccc23)n1 680957173 CLLCVMPZYCTVOZ-OAHLLOKOSA-N 310.401 2.844 0 50 DFAA Cc1nc(CCN[C@H]2CCN(c3ccccc3)C2)nc2c1CCC2 1506418565 RLVRUQJCTDWXLN-INIZCTEOSA-N 322.456 2.685 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)CCc2ccccc2O)CC[C@]1(C)O 213362058 JXWGEJZYBVYITC-APWZRJJASA-N 319.445 2.970 0 50 DFAA CCc1nn(C)c(NC(=O)Cc2ccc(OC)cc2)c1CC 1529100117 NRIOEBPOXYIGOC-UHFFFAOYSA-N 301.390 2.735 0 50 DFAA CCC(CC)(CO)CN(C)c1nc2cc(C(=O)O)ccc2n1C 1529152050 OFJKJGWDRZKWLU-UHFFFAOYSA-N 319.405 2.506 0 50 DFAA CCN1CCCC[C@@H]1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 110610391 IXEAFVDBFBDVRH-DLBZAZTESA-N 318.417 2.667 0 50 DFAA CCc1ccccc1C(=O)NC[C@@]12CNC[C@@]1(C(F)(F)F)C2 1615546403 NZYLGUCHNZLHOI-CABCVRRESA-N 312.335 2.521 0 50 DFAA Cc1ccc(OC2CCN(C[C@H]3CCC(=O)N(C)C3)CC2)cc1 1775980751 ADIIKFHAWLEQDN-INIZCTEOSA-N 316.445 2.707 0 50 DFAA CCOc1ccc(N2C(=O)C[C@@H](NC3CCCCC3)C2=O)cc1 18250494 LMKCAQQRBDNKAQ-MRXNPFEDSA-N 316.401 2.640 0 50 DFAA CCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 2853114 CAJRAVMFSHPAQP-HNNXBMFYSA-N 304.390 2.724 0 50 DFAA CC/C(C)=C/CCN1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857739378 PREMMGOKPVMHGR-YHYHFWBWSA-N 315.457 2.802 0 50 DFAA O=C(C1CC1)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 225502701 RQYMZDGZIFNQBN-VIFPVBQESA-N 303.284 2.638 0 50 DFAA Cc1ccncc1[C@@H](C)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 624241680 QTCPFMSWZILTRZ-JKIFEVAISA-N 300.406 2.932 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCOc2cccc(C)c2)C1 643859641 MAUATXKSLAHQFQ-CVEARBPZSA-N 301.390 2.559 0 50 DFAA Cc1cnn([C@H](C)[C@H](C)NCC(=O)N[C@H](C)c2cccs2)c1 252474708 KPYJCNPZPOXFFS-BFHYXJOUSA-N 320.462 2.670 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1c1ccccc1 262957064 RGLNTGKIAZJJIZ-VXGBXAGGSA-N 319.744 2.873 0 50 DFAA CC[C@H](C(=O)O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 263577179 REZUITNHKXKPKO-CHWSQXEVSA-N 301.745 2.716 0 50 DFAA Cc1c[nH]nc1CN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 839158424 KKSDNSRSHPLLER-QGZVFWFLSA-N 321.371 2.942 0 50 DFAA CCCCN(CC)c1nnc([C@@H](O)C(C)C)n1C[C@@H]1CCOC1 2325769372 AYXCIGZORGQCCE-GJZGRUSLSA-N 324.469 2.630 0 50 DFAA C[C@H](COC(C)(C)C)NC(=O)N(C)[C@@H](CO)CC(C)(C)C 2325769938 VQTYPMZTEDMTQQ-CHWSQXEVSA-N 302.459 2.629 0 50 DFAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3cnc[nH]3)cc2)n1 900848513 ULDCXTYZBGQRDT-CQSZACIVSA-N 323.400 2.632 0 50 DFAA CCOC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 87892 JJTABGTVLUREFC-UHFFFAOYSA-N 318.417 2.898 0 50 DFAA NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 184408 HTPNTHKCKSMNJG-IONNQARKSA-N 316.308 2.704 0 50 DFAA Cc1cc(C)n([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1 243345 UURNHXKENLZKKK-CYBMUJFWSA-N 303.749 2.658 0 50 DFAA CCCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 558635 CAKKUHYZNNWKOL-UHFFFAOYSA-N 317.433 2.730 0 50 DFAA C[C@]1(NC(=O)Nc2cccc3ccccc23)CCS(=O)(=O)C1 2982040 ZBQDIAIUSDOVNB-INIZCTEOSA-N 318.398 2.539 0 50 DFAA CCC[C@@]1(C(=O)O)CN(Cc2cccc(F)c2C)CC[C@@H]1O 2356156671 MCVOHVYJIGFRBV-DOTOQJQBSA-N 309.381 2.572 0 50 DFAA COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C(=O)O 6706954 AXQCRUDKRXUZOT-UHFFFAOYSA-N 321.354 2.503 0 50 DFAA Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C)o1 9166345 SYYFLRJTYKXLIL-UHFFFAOYSA-N 314.366 2.810 0 50 DFAA Cc1ccc(F)c(C(=O)N2CCC3(CC2)CNC(=O)C3)c1Cl 65425971 MHXYEECARILVSZ-UHFFFAOYSA-N 324.783 2.530 0 50 DFAA Fc1ccccc1N1CCN([C@@H]2CCCN(C3CCC3)C2)CC1 20271755 QYHUMOQVSALKMY-QGZVFWFLSA-N 317.452 2.965 0 50 DFAA CC[C@H](C)Oc1cccc(OCCCN2CCN(C)CC2)c1 20639791 OSVKIIVDCXOEQL-INIZCTEOSA-N 306.450 2.880 0 50 DFAA COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@H](C(=O)O)C1 136111308 FYWHVWXARAWXJD-ZFWWWQNUSA-N 319.401 2.587 0 50 DFAA Cc1ccc(F)c(CN2CCN(c3ccc(F)cn3)CC2)c1 349380904 GCDAXELLYMYBLR-UHFFFAOYSA-N 303.356 2.990 0 50 DFAA Cc1nc([C@H]2CCCN2C[C@@H](O)c2c(F)cccc2F)no1 229887167 KSFZURFKHLPAQB-CHWSQXEVSA-N 309.316 2.527 0 50 DFAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H]1CCCCC[C@H]1OC 252515574 LROUKZASBSIMHF-QKPAOTATSA-N 312.454 2.981 0 50 DFAA CSc1nc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cs1 218904849 URZOFYNATMAATR-LLVKDONJSA-N 322.459 2.614 0 50 DFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 331642532 QVDAMANEXHXHKB-RCCFBDPRSA-N 321.465 2.606 0 50 DFAA CCc1nc(N2CCC[C@H](COc3cccc(OC)c3)C2)no1 77440353 FLEMTGOVCQAWNX-ZDUSSCGKSA-N 317.389 2.936 0 50 DFAA CC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)c1ncc(C)[nH]1 216525502 PRYQFRFRNPNJPI-GFCCVEGCSA-N 307.781 2.887 0 50 DFAA O=C(NCCCC[C@H]1CCCO1)c1cn(C2CCCCC2)nn1 72156648 HIVQOWQPKXBNLA-HNNXBMFYSA-N 320.437 2.862 0 50 DFAA O=C(/C=C/c1cccc2cccnc12)N1CCC[C@@](F)(CO)C1 376406912 KHCLACDDCDQCTA-DVBCCOPCSA-N 314.360 2.571 0 50 DFAA CCOc1ccc(CN2CCC(O)(CN3CCCC3)CC2)cc1 215884166 AWIFKRKRIFRBRV-UHFFFAOYSA-N 318.461 2.508 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)[C@@H]2CCN(C3CCCCC3)C2)o1 332821632 BDQWREMSVFGNSH-ZIAGYGMSSA-N 305.422 2.815 0 50 DFAA COCC1(C(=O)N2CC[C@H](c3ccccc3C(=O)O)C2)CCC1 72163122 SGCDAURMJZBWQL-ZDUSSCGKSA-N 317.385 2.517 0 50 DFAA CCCn1ccnc1CN1CCCC[C@H]1CCn1cccn1 215787948 OMBGVVBNYFISIE-INIZCTEOSA-N 301.438 2.934 0 50 DFAA CN(C)C1(CNC(=O)[C@H](O)c2ccccc2Cl)CCCCC1 215882971 QTKKFDUBMDOJCK-OAHLLOKOSA-N 324.852 2.754 0 50 DFAA COc1cccc(OC)c1OCc1nc(-c2ccccn2)no1 72126487 CVZNVHXYVZFHNW-UHFFFAOYSA-N 313.313 2.728 0 50 DFAA CN1CCC[C@H](CNC(=O)c2ccon2)[C@@H]1c1cccs1 129720190 VHNIEWPOCZHXNQ-BXUZGUMPSA-N 305.403 2.549 0 50 DFAA CC(C)c1nc(CCN(C)C(=O)c2ccc(Cl)cn2)no1 71614920 HRBXUPYISQWMGR-UHFFFAOYSA-N 308.769 2.556 0 50 DFAA CC(C)c1occc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 262919638 GCIGQHLJGDWJBA-ZDUSSCGKSA-N 319.279 2.882 0 50 DFAA Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(=O)O)cc2)o1 263049285 NULJGRUVCFGQQQ-LBPRGKRZSA-N 317.341 2.851 0 50 DFAA CC(C)c1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)no1 77385948 PTFRTIAIAXKFNW-UHFFFAOYSA-N 324.384 2.956 0 50 DFAA CN(Cc1nc(-c2ccccc2)no1)C1C[C@@H]2CC[C@H](C1)N2C 285592154 UQQGFVMBWXEQFM-XYPWUTKMSA-N 312.417 2.794 0 50 DFAA Cc1ncc(CN(Cc2scnc2C)C[C@@H]2CCNC2)s1 263273291 SNAKDBQEOWBNBN-CYBMUJFWSA-N 322.503 2.828 0 50 DFAA COc1cccc(-c2cc(CNC(=O)Cc3ccncc3)on2)c1 220177343 RGEXMKJAQFRLOY-UHFFFAOYSA-N 323.352 2.604 0 50 DFAA C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C[C@H]1C 341644832 GDZXLHWTPBXPCT-UPJWGTAASA-N 322.840 2.611 0 50 DFAA Nc1nc(-c2ccncc2)nc(N)c1Cc1ccc(Cl)cc1 196306174 QGNFUZFZFDNRQF-UHFFFAOYSA-N 311.776 2.947 0 50 DFAA COc1ccc(CN(C)C(=O)N[C@H](CC(=O)O)CC(C)C)cc1 426715834 HLENQSXFSQMRQA-AWEZNQCLSA-N 322.405 2.726 0 50 DFAA Cc1ccc(NC(=O)c2nnc([C@H]3CCCNC3)s2)cc1 47218820 CYJYJVJNVVPBFL-NSHDSACASA-N 302.403 2.566 0 50 DFAA O=C(C[C@@H]1CCOC1)NCCc1cccc(C(F)(F)F)c1 426374137 GOPVXOOGTAAEEU-LBPRGKRZSA-N 301.308 2.791 0 50 DFAA CCC[C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@H]1N(C)C 82098620 UKXUIXHYFNCCLM-SJLPKXTDSA-N 318.461 2.871 0 50 DFAA O=C(CCn1cncn1)NCc1sc2ccccc2c1Cl 221173693 VBAIPRJZMRKNHP-UHFFFAOYSA-N 320.805 2.853 0 50 DFAA Cc1ccc(OCCN(C)C(=O)CCCc2cn[nH]c2)c(C)c1 97499649 DDDBUWRINWQAQR-UHFFFAOYSA-N 315.417 2.887 0 50 DFAA CCCc1cc(C(=O)NC[C@H]2COc3ccccc3C2)no1 91872568 OETZFCPVCJSCGR-LBPRGKRZSA-N 300.358 2.608 0 50 DFAA Cc1nn(C)c2nc(NCCCN3CCC[C@H](C)C3)sc12 96180325 DBMGBKNXGCNXTE-NSHDSACASA-N 307.467 2.872 0 50 DFAA CN1CCC(c2ccccc2)(c2nc([C@@H]3CCOC3)no2)CC1 96151336 OAFGATMBQXOECR-CQSZACIVSA-N 313.401 2.585 0 50 DFAA O=C(NC[C@]1(O)CCOC1)Nc1ccccc1-c1ccccc1 179375948 UXVYDOKLLFBAMP-GOSISDBHSA-N 312.369 2.627 0 50 DFAA COC(=O)c1cc(I)c(F)cc1Cl 145228294 BTRLZJYOHXVECK-UHFFFAOYSA-N 314.481 2.870 0 50 DFAA COc1cc2c(cc1CN1CCC[C@H](c3ncc[nH]3)C1)OCO2 244852832 UZSWKFAZJROWGK-LBPRGKRZSA-N 315.373 2.527 0 50 DFAA CC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 247943245 OAZTWXGUSUNZJW-BRWVUGGUSA-N 318.373 2.809 0 50 DFAA C[C@@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)n1cccc1 253412929 SMWTTYQTRTXJNP-YESZJQIVSA-N 303.450 2.772 0 50 DFAA biogenic CSC[C@H](C)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 182408419 CCFRUDWYHPXVMX-QCZZGDTMSA-N 315.385 2.910 0 50 DFAA CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCC(C(=O)O)CC1 299745724 SDNLAHSRAFIPPR-QEJZJMRPSA-N 311.422 2.684 0 50 DFAA COc1ccc(C(=O)O)nc1-c1c(OC)cc(C)cc1OC 534588921 OGCGORQQULDJFW-UHFFFAOYSA-N 303.314 2.781 0 50 DFAA COc1cc(CCC(=O)NCc2cccc(CO)c2)ccc1C 534672320 ACRLSAJZEKVYCF-UHFFFAOYSA-N 313.397 2.745 0 50 DFAA CC(C)c1nnsc1C(=O)N[C@@H](C)c1cn2ccsc2n1 299756252 FHZYLHDPEZUDMW-QMMMGPOBSA-N 321.431 2.862 0 50 DFAA CNc1ncc(CN(C)C(=O)Nc2c(C)cc(C)nc2C)cn1 299777559 NUYNGHMVTQCOMW-UHFFFAOYSA-N 314.393 2.502 0 50 DFAA CC(C)c1cc(CN(C)[C@H](C)C(=O)Nc2nccs2)no1 299755847 DLXRPZGJDOEQKQ-SNVBAGLBSA-N 308.407 2.714 0 50 DFAA Cc1cccc(CC2(NC(=O)N(C)CC3(C)COC3)CC2)c1 584900649 XKKYUHFSLZWIPR-UHFFFAOYSA-N 302.418 2.748 0 50 DFAA CC(=O)Nc1cccc2c1CN(C(=O)c1ccnc(C)c1)CC2 870462834 XLNUKIWMAJTAEA-UHFFFAOYSA-N 309.369 2.547 0 50 DFAA C[C@@H]1CCN(C[C@H]2CCCNC2)CCN1Cc1ccccc1 240551527 GUKIXORTYCIUMN-MJGOQNOKSA-N 301.478 2.582 0 50 DFAA NCc1cccc2ccc(C(=O)N=c3[nH][nH]c4c3CCCC4)cc12 1875301552 MOEBFZWAHULLRQ-UHFFFAOYSA-N 320.396 2.575 0 50 DFAA O=C(N[C@@H]1CCCCC12OCCO2)c1coc2cc(O)ccc12 877870824 GNRMSYZOBCEJDP-OAHLLOKOSA-N 317.341 2.554 0 50 DFAA CCc1nc(CNC(=O)N[C@H]2CCCc3ccccc3C2)co1 895220339 JXTSVQMRMNAVBR-HNNXBMFYSA-N 313.401 2.984 0 50 DFAA CCNC(=O)N1CCC[C@@H](n2c(CC)nc3ccccc32)C1 1775991750 UHMHQKGPVNQLNJ-CYBMUJFWSA-N 300.406 2.965 0 50 DFAA O=C(c1ccnn1CC(F)(F)F)N1CCCCc2ncccc21 1776008155 GSTIZZMJOIAAEM-UHFFFAOYSA-N 324.306 2.824 0 50 DFAA COC(=O)c1nscc1NC(=O)N1CCCC(C)(C)CC1 1776006881 YPMJYEQGRAYNDO-UHFFFAOYSA-N 311.407 2.974 0 50 DFAA O=C1NCc2ccc(C(=O)N3CC[C@@H]3Cc3ccccc3)cc2N1 1776005854 KBNDWTXEGDKLLG-MRXNPFEDSA-N 321.380 2.779 0 50 DFAA COc1cc(NC(=O)[C@H]2C[C@@]2(C(=O)O)C(C)C)cc(OC)c1C 899786242 QNQGUEOOZHUPNB-SJKOYZFVSA-N 321.373 2.698 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)NCCn1c(C)nc2ccccc21 277217701 XGZWIDAENYQSEA-WMLDXEAASA-N 315.417 2.666 0 50 DFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCc1ccnc2ccccc12 170019303 RNGJPMTVFMKDJQ-CABCVRRESA-N 310.353 2.518 0 50 DFAA CCN(CC)Cc1csc(NC(=O)[C@H](C)CSC)n1 584906789 GZXIZARXZHHFTL-SNVBAGLBSA-N 301.481 2.923 0 50 DFAA Cn1ccnc1-c1cc(NC(=O)Nc2ccnc(Cl)c2)[nH]n1 170617034 OLVOOXVWSYIMEX-UHFFFAOYSA-N 317.740 2.503 0 50 DFAA C[S@@](=O)c1nncn1CC1CCC(c2ccccc2)CC1 187869970 VAKIMWJEACDIQS-QJIRTLCSSA-N 303.431 2.990 0 50 DFAA Cc1nc2ccccc2nc1CN1CCOC[C@H]1c1cccn1C 189536837 ZSDLUTQCUJDNGR-IBGZPJMESA-N 322.412 2.850 0 50 DFAA COc1cc(C)c(CN(C)C(=O)[C@H]2CCCO[C@@H]2C)cc1OC 190710235 XHCRUMGCACNEKF-HIFRSBDPSA-N 321.417 2.786 0 50 DFAA CC(C)c1cc(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)[nH]n1 194411821 QBQMDWPEQFJNFV-SNVBAGLBSA-N 318.343 2.746 0 50 DFAA O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)N1 573825 IDVAZHOZROBHNG-OQLLNIDSSA-N 312.300 2.585 0 50 DFAA Cc1c(-c2ccccc2)noc1NC(=O)c1ccc(=O)n(C)c1 1529186055 UYMAMRZRKINUKD-UHFFFAOYSA-N 309.325 2.601 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Cc3ccc(OC)cc3)C[C@@H]21 1704297179 JIBODBMSYKXLHC-HHXXYDBFSA-N 317.429 2.637 0 50 DFAA CC[C@@H](CCNC(=O)OC(C)(C)C)NCC(C)(C)CCO 1614652181 ZIBLXTVNPZUFBB-ZDUSSCGKSA-N 302.459 2.678 0 50 DFAA O=C(NC1CCC(O)(c2cccc(F)c2)CC1)[C@H]1CC1(F)F 1615044260 IHUCJCRKGLZHAR-JVWICGRDSA-N 313.319 2.727 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1C[C@@H](N)C12CCC2 1615555365 RWLJKNUFXBGCBM-NXEZZACHSA-N 302.296 2.607 0 50 DFAA CSCc1nnc2sc(COc3ccccc3C)nn12 1775972128 HGQPZHRRGNKSNR-UHFFFAOYSA-N 306.416 2.936 0 50 DFAA CN(Cc1nc(CC2CC2)no1)C1CC(C)(C)NC(C)(C)C1 12710014 YZHYUVWWEHJCFI-UHFFFAOYSA-N 306.454 2.763 0 50 DFAA C[C@H]1CN(C[C@H](O)COc2ccc3ccccc3c2)C[C@@H](C)O1 16310669 ONKTVYGKKCZWNY-DAYGRLMNSA-N 315.413 2.689 0 50 DFAA COc1ccccc1C(=O)N1CCn2c1cc1ccccc1c2=O 150366269 ZFOHOJHWEHUKSR-UHFFFAOYSA-N 320.348 2.671 0 50 DFAA biogenic CC[C@]12COC(=O)N1CCN(c1cc(C)nc3ccccc13)C2 1857695722 VMZFDMDUDFDFGW-SFHVURJKSA-N 311.385 2.964 0 50 DFAA Cc1ncsc1-c1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1 657371854 XDZYVICQLRVJKY-HNNXBMFYSA-N 315.442 2.829 0 50 DFAA CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 245224211 SJIVVBIUXVKZDK-QWHCGFSZSA-N 301.308 2.860 0 50 DFAA in-vitro Cc1cccc(C(=O)N[C@@H](C(=O)O)c2ccc(Cl)c(F)c2)n1 345802598 KEDZGPSDQYLPDV-CYBMUJFWSA-N 322.723 2.738 0 50 DFAA CCc1c(NC(=O)[C@H]2CCCC(=O)N2C)cnn1C(CC)CC 907707662 ASNNAOKZADODIX-OAHLLOKOSA-N 320.437 2.756 0 50 DFAA COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F 4856413 BLNRCUKUAHWMHL-GXFFZTMASA-N 301.383 2.691 0 50 DFAA COc1ccc(-n2nc(C(C)=O)c(C(C)=O)c2C)c(OC)c1 12389177 DIUYTPAQMQEZLC-UHFFFAOYSA-N 302.330 2.603 0 50 DFAA Cc1cccc([C@@H]2[C@@H](C)CN2C(=O)Cn2nnc3ccccc32)c1 2325770200 SEUDCBXDTIDBKA-LIRRHRJNSA-N 320.396 2.959 0 50 DFAA N[C@H]1Cc2ccc(C(=O)NCC[C@H]3CCc4ccccc43)cc2C1 2325796013 MAXJXGGQVIFZPX-BEFAXECRSA-N 320.436 2.962 0 50 DFAA O=C(O)c1cc(CC(=O)N2Cc3cccc(F)c3C2)cs1 2325826117 PKWAGGPYVGUFON-UHFFFAOYSA-N 305.330 2.670 0 50 DFAA CC(=O)N(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 27914 BDILVQIKGMDUKZ-UHFFFAOYSA-N 312.325 2.620 0 50 DFAA COc1ccc(NC(=O)CCN2CCCCCC2)c(OC)c1 256835 OETZBEVTTLDZEY-UHFFFAOYSA-N 306.406 2.908 0 50 DFAA CCOC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 1940069 VDCQYAUPJUGGNM-JTQLQIEISA-N 302.326 2.612 0 50 DFAA biogenic Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)c(C)c1 104291640 OSSUVGDRZHZPDT-LSDHHAIUSA-N 311.447 2.536 0 50 DFAA O=C([C@@H]1CC12CCNCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1 137077136 IKTLPWIQYMMKTG-RDJZCZTQSA-N 316.420 2.606 0 50 DFAA CCN(Cc1noc(CC(C)C)n1)Cc1ccccc1C(=O)O 55211341 LXJCMRIRXJNNPP-UHFFFAOYSA-N 317.389 2.988 0 50 DFAA Cc1nc(C)c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)s1 250948681 BYACCBXJKHKVNG-UTUOFQBUSA-N 308.403 2.618 0 50 DFAA CN(CCc1cccnc1)CC(=O)Nc1cccc(Cl)c1 172154776 ASUIFLSSAUIYOZ-UHFFFAOYSA-N 303.793 2.848 0 50 DFAA COc1cc(C)ccc1CN1CCC[C@@H](CCNC(C)=O)C1 67842077 GMKKFTWJRHTOJJ-INIZCTEOSA-N 304.434 2.742 0 50 DFAA COc1ccc(CN[C@H](C)C(=O)NC2CCCC2)c(F)c1F 65410604 WVHPWPZYEDBVLB-SNVBAGLBSA-N 312.360 2.510 0 50 DFAA Cc1nc(CN2CC[C@@H](c3ccccc3)C2)n(-c2ccccn2)n1 65395903 UWADMZAGBLNCPW-QGZVFWFLSA-N 319.412 2.960 0 50 DFAA O=C(Nc1cnc2n1CCCC2)c1cc(=O)c2ccccc2o1 67773034 ZNAQNCSZAIFKTH-UHFFFAOYSA-N 309.325 2.578 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 252671257 OMNHOKXEPGCQOZ-IHRRRGAJSA-N 312.335 2.759 0 50 DFAA Cc1ccc(-c2noc(CN(C)[C@H]3CCN(C)[C@@H](C)C3)n2)cc1 229820776 QUCUDNIHELQPTG-HOCLYGCPSA-N 314.433 2.960 0 50 DFAA COc1ccccc1N1CCN(C(=S)NC2CCCC2)CC1 9877221 OVUUUVIJJVMRNG-UHFFFAOYSA-N 319.474 2.634 0 50 DFAA Cc1nc(CCCN[C@H]2CCO[C@@H]2c2cnn(C)c2C)cs1 328640129 XECIMWGBTADKFV-JKSUJKDBSA-N 320.462 2.546 0 50 DFAA Cc1nnc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)o1 328607097 UMLXDBTXJUDLLM-CQSZACIVSA-N 318.446 2.584 0 50 DFAA Cc1oc(-c2ccco2)nc1CC(=O)NCc1cscn1 122220147 NHNLTGFSKMLAAG-UHFFFAOYSA-N 303.343 2.558 0 50 DFAA O=c1c(Oc2ccc(-n3cccn3)cc2)nccn1C(F)F 360983386 GKCLLHUVDGQPIW-UHFFFAOYSA-N 304.256 2.616 0 50 DFAA COc1cc(-n2ccnc2-c2ncc[nH]2)ccc1N1CCCC1 77299021 NTRAOQZKBZGXLX-UHFFFAOYSA-N 309.373 2.871 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CN(C)C(=O)O2 77408156 SMTPFSNOZFOQTI-UHFFFAOYSA-N 322.792 2.705 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@H]2C)c(C)c1 241338558 MBSQFWWFAAWSBC-KYOSRNDESA-N 318.442 2.799 0 50 DFAA COc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c(OC)c1 261795617 UHHVZRZUJVYUAW-LBPRGKRZSA-N 321.373 2.563 0 50 DFAA Cc1cc(N[C@H](C)Cn2nc(C)cc2C)n2nc(C)c(C)c2n1 72435851 WOQCRQKUZRKXSD-GFCCVEGCSA-N 312.421 2.969 0 50 DFAA C[C@]1(CN)CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 262011698 OCQQPAIQTQSBGK-QGZVFWFLSA-N 304.409 2.835 0 50 DFAA CCn1cc(C2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)cn1 333516047 VGLAYMLUYCHHFG-QGZVFWFLSA-N 324.428 2.734 0 50 DFAA O=C(c1ccoc1)N1CCCN(C2Cc3ccccc3C2)CC1 77503775 RILIGHJDCIKKJK-UHFFFAOYSA-N 310.397 2.595 0 50 DFAA CCOCCNC(=O)CN1C[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1 374767837 OZNJMENPPNIDQF-VDZJLULYSA-N 316.445 2.612 0 50 DFAA COc1ccccc1-c1ncc(CN(C)C2CCOCC2)cn1 216475133 VXYSBDUAPJHFTD-UHFFFAOYSA-N 313.401 2.763 0 50 DFAA CN(Cc1nc(C2CC2)no1)C(=O)CCCOc1ccccc1 222594831 ANOKFSOSFJMBOB-UHFFFAOYSA-N 315.373 2.765 0 50 DFAA Cc1csc([C@@H](C)C(=O)N[C@H](CO)c2ccccc2C)n1 613218763 PGTVDTKVFJWVHM-GXTWGEPZSA-N 304.415 2.713 0 50 DFAA OCC1CN(c2ccc(C(F)(F)F)cc2Br)C1 133546813 FXAXPHXPWIYIIN-UHFFFAOYSA-N 310.113 2.896 0 50 DFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)CCc1ccnn1C 426383687 AHZYBTNCJOJGCW-LBPRGKRZSA-N 301.365 2.638 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](C(=O)O)C1 236882861 VGRHCYZBRWEKKK-CHWSQXEVSA-N 305.374 2.512 0 50 DFAA CCSc1ccc(C(=O)N2Cc3nnc(C)n3[C@H](C)C2)s1 96153281 UDTKVTJDKGNRRO-SECBINFHSA-N 322.459 2.977 0 50 DFAA Cc1n[nH]c(CN(Cc2ccncc2)C[C@@H]2CCCO2)c1Cl 97155821 FQHDZVOGICBKJD-AWEZNQCLSA-N 320.824 2.948 0 50 DFAA Cc1c(C(=O)NC[C@]2(O)CCCC2(C)C)[nH]c2c1C(=O)CCC2 294509176 SWXMHVNSEJSRMB-GOSISDBHSA-N 318.417 2.513 0 50 DFAA NCc1ccc(-c2nc([C@H]3CCOC3)nn2-c2ccccc2)cc1 97602207 YSDGSCLVWJUOTI-INIZCTEOSA-N 320.396 2.897 0 50 DFAA Cc1ncc(C(=O)N2CCC(N(C)c3ccccc3)CC2)c(C)n1 181717911 DVLSFSIMRUUXEJ-UHFFFAOYSA-N 324.428 2.834 0 50 DFAA Cc1ncc(C(=O)N(C)[C@H](CO)c2ccc(Cl)cc2)s1 296869798 JREGLXVVGKTLLO-GFCCVEGCSA-N 310.806 2.911 0 50 DFAA COc1c(Cl)cc(C(=O)N2CCC[C@H](N)C2)cc1Cl 299745562 RBSZJVGYLILLGU-VIFPVBQESA-N 303.189 2.565 0 50 DFAA CN1CCC[C@@]2(CCN(c3nc4ccccc4s3)C2)C1=O 372490073 ILDNAAHXOWQPGY-INIZCTEOSA-N 301.415 2.745 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)ccn1 280169081 SBZGBKRFENPLLR-CQSZACIVSA-N 315.348 2.608 0 50 DFAA O=C(Nc1ccc(OCc2cccs2)cc1)N1CC[C@@H](O)C1 299796306 PNMUULMIMNBESE-CYBMUJFWSA-N 318.398 2.926 0 50 DFAA Cc1cccc(Cn2nc(CC(N)=O)nc2-c2cc(C)oc2C)c1 826842096 JYNNXNIKQVSRDV-UHFFFAOYSA-N 324.384 2.539 0 50 DFAA Cc1cc(CN(C)CC2CC(NC(=O)OC(C)(C)C)C2)no1 585136941 ZGTGSJSBPMUCCI-UHFFFAOYSA-N 309.410 2.718 0 50 DFAA Cc1nccn1C[C@H]1CCCN(C2CSCCSC2)C1 670462578 ZPHDSUXUDZOXKX-CQSZACIVSA-N 311.520 2.752 0 50 DFAA COc1ccc(OCc2nc([C@H]3CCCCCN3C)n[nH]2)cc1 670450055 UTAKQSZYHPNFIA-OAHLLOKOSA-N 316.405 2.939 0 50 DFAA CC(C)C[C@H](C)OC(=O)N1CCC(NC2CCOCC2)CC1 952880899 DXQOLAZTNAHZHJ-AWEZNQCLSA-N 312.454 2.791 0 50 DFAA C[C@@H](C(=O)Nc1cccc(F)n1)n1ccc(C(F)(F)F)n1 875559055 DUBCGPCQRPCOIQ-ZETCQYMHSA-N 302.231 2.636 0 50 DFAA C=CC(=O)N(Cc1cc(OC)cnc1F)Cc1occc1C 1875374170 DGIRZTWBMCIYQC-UHFFFAOYSA-N 304.321 2.846 0 50 DFAA C=CC(=O)N[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875368842 RVGFYLMKDRUWIM-TZMCWYRMSA-N 308.422 2.762 0 50 DFAA CSc1nc(O)cc(CNC(=O)Nc2cc(C)ccc2C)n1 888096038 PYVDXHLLWRNKQA-UHFFFAOYSA-N 318.402 2.843 0 50 DFAA Cc1ccc([C@@H]2CCCCCN2C(=O)c2cnncc2O)o1 1775142600 FJOIBXIDJWSMDS-ZDUSSCGKSA-N 301.346 2.841 0 50 DFAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(O)cn1 97757502 MEQJVDMERVUSFW-UHFFFAOYSA-N 311.338 2.859 0 50 DFAA in-vitro Cn1cccc1[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2nc[nH]c21 408111491 FHARKMQWRGFUHO-CJNGLKHVSA-N 312.417 2.922 0 50 DFAA CC(C)n1ncc2cc(CNCC3(CO)CCCC3)cnc21 185804301 RUMLUKYRYAWGRE-UHFFFAOYSA-N 302.422 2.655 0 50 DFAA Cc1noc(C)c1CC(=O)Nc1c(C)c(C(F)(F)F)nn1C 186108105 LCFUHJBIAPKJCF-UHFFFAOYSA-N 316.283 2.533 0 50 DFAA COc1cc2c(cc1NC(=O)N1CCC[C@H]1C)NC(=O)CC2 274495774 RQTOGENNPAKNIH-SNVBAGLBSA-N 303.362 2.596 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(OC)cc1OC 277290718 UTUCLFXVTAXHTF-HZPDHXFCSA-N 321.417 2.867 0 50 DFAA Cc1nc(Nc2ccc(OCCO)cc2)cc(-c2cccnc2)n1 599944060 QGSSFKDGNSRZEH-UHFFFAOYSA-N 322.368 2.962 0 50 DFAA Cc1c(CNC(=O)[C@H](c2ccncc2)C2CCCC2)cnn1C 585132470 XNZLFVIPRWVMSX-KRWDZBQOSA-N 312.417 2.714 0 50 DFAA Cc1cnc(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)cn1 189863526 RSENPAJPMBYGDE-SNVBAGLBSA-N 303.749 2.866 0 50 DFAA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2cscn2)C1 190461827 WPFLTFGYGYDCKV-ZDUSSCGKSA-N 322.503 2.862 0 50 DFAA O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ncccn2)C1 192125011 WKVDPRSGAJTOHY-UONOGXRCSA-N 323.318 2.803 0 50 DFAA CN(C)c1noc(CN2CCC[C@]2(C)Cc2ccccc2)n1 192804526 MJUKNFQWPASAEK-QGZVFWFLSA-N 300.406 2.733 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@H]2CCC3(CCCC3)O2)cc1 656248656 GWGGMTKIZMSOTR-CQSZACIVSA-N 303.358 2.606 0 50 DFAA CCO[C@@H]1C[C@H](N[C@H](C)c2nccn2C)[C@H]1Oc1ccccc1 658336222 PNMNSBZQCZILJM-XLNGHYISSA-N 315.417 2.696 0 50 DFAA C[C@@H]1CN(Cc2ccc(-c3ccccn3)nc2)CC[C@@H]1C(=O)O 659799407 CPNGELQNIRMFAK-HIFRSBDPSA-N 311.385 2.686 0 50 DFAA Cn1c(CCCNC2CSCCSC2)nc2ccccc21 1506408397 DTOKWSYNMULNBX-UHFFFAOYSA-N 321.515 2.944 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc3nc[nH]c3c1)C2 1704298105 FQAIGQWRAQNWDV-AEFFLSMTSA-N 313.401 2.984 0 50 DFAA O=C(O)CC1CCN(C(=O)Cc2ccc(Cl)s2)CC1 262937970 BZOKVEWHKIWTHQ-UHFFFAOYSA-N 301.795 2.657 0 50 DFAA COc1ccc(OC)c(NC(=O)c2ccc(OC)cc2OC)c1 432265 ZSDDFGMGFRVKHN-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA COCCCC1CCN(Cc2nc(-c3ccccn3)no2)CC1 12579364 OSACLOIBQNHREV-UHFFFAOYSA-N 316.405 2.770 0 50 DFAA NC(=O)COc1ccc(Cl)cc1CNCCc1ccccc1 19872438 MGNXXBOUIXBONG-UHFFFAOYSA-N 318.804 2.536 0 50 DFAA Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc1 168193054 IMDFZIJZZVRMEW-WGIXJMRHSA-N 301.386 2.919 0 50 DFAA CC1(C)NC(=O)N(CCCCOc2ccc3c(c2)CCC3)C1=O 2862802 HOEFJXOKLSJMHL-UHFFFAOYSA-N 316.401 2.665 0 50 DFAA COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 2996658 QWSVGCATPRIMCM-UHFFFAOYSA-N 315.325 2.727 0 50 DFAA OCc1ccc2c(c1)CN(c1cnc3ccccc3n1)CCO2 1857676301 QMLHJAMHNFBXNJ-UHFFFAOYSA-N 307.353 2.521 0 50 DFAA Cc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)ncn1 1857713754 MKQDUXCXDXAGGG-HUUCEWRRSA-N 319.449 2.710 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 211166124 NOJFBXBWNOOLAO-HOCLYGCPSA-N 305.422 2.810 0 50 DFAA CC(C)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)O 4662381 VCXQKNIPWGMUER-LBPRGKRZSA-N 313.781 2.723 0 50 DFAA CCOc1ccc([C@H](COC)NC(=O)c2ccc(C)nc2)cc1 240555662 GXAXTDXCTIFOEA-KRWDZBQOSA-N 314.385 2.906 0 50 DFAA CNC(=O)C1CCN(c2ccnc3c(Cl)cccc23)CC1 341417251 JNYKKIFXSCNPJV-UHFFFAOYSA-N 303.793 2.851 0 50 DFAA CCNC(=O)c1ccc(CNC(=O)c2[nH]ccc2C2CC2)cc1 457464306 UJRWXZZOQMJGCB-UHFFFAOYSA-N 311.385 2.572 0 50 DFAA CCC[C@]1(COC)CCCN1C(=O)c1ccc(C(=O)O)cc1F 263565248 FJRDBUWBLMUZSS-QGZVFWFLSA-N 323.364 2.945 0 50 DFAA Cc1nccc(NC(=O)NCC[C@@H]2OCCc3ccccc32)n1 930837922 PQWMXXBWILHFCY-HNNXBMFYSA-N 312.373 2.611 0 50 DFAA COc1ccc(-c2cn(C[C@@H]3CCCN3)nn2)c2ccccc12 2325759945 UMYNPQNGECTNHY-ZDUSSCGKSA-N 308.385 2.859 0 50 DFAA C[C@@H](CC(=O)N1CC[C@H](CC(=O)O)C1)c1c[nH]c2ccccc12 2325769503 KWEHALJEKFJDAW-QWHCGFSZSA-N 314.385 2.985 0 50 DFAA Cc1cc2nccnc2cc1-c1cncc(N[C@H]2CCCNC2)n1 2325796844 UQDSKBPRCPTXHI-ZDUSSCGKSA-N 320.400 2.559 0 50 DFAA CNC(=O)c1cc(NCc2ccnc3[nH]ccc23)c(F)cc1C 2325854568 KIXFMNAGEIJONT-UHFFFAOYSA-N 312.348 2.982 0 50 DFAA Cc1c[nH]nc1CSc1ncc2c(n1)CC(C)(C)CC2=O 918022000 QMFOGOIGTVGWDH-UHFFFAOYSA-N 302.403 2.956 0 50 DFAA O=C(NCc1nccc2c1CCCC2)Nc1ccn2ccnc2c1 931224854 PINWOIHZPYPVFD-UHFFFAOYSA-N 321.384 2.930 0 50 DFAA C[C@@H](NCCC1CCN(C)CC1)c1cccc(-n2cnnc2)c1 952847249 FAROLCKVUCTVOL-OAHLLOKOSA-N 313.449 2.650 0 50 DFAA CC1(C)CNC(=O)[C@H]1OC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 953096184 DSGSMOCMSLAZGN-RBSFLKMASA-N 301.386 2.638 0 50 DFAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cc1 69539 QEVZJOOFVAMXKO-CQSZACIVSA-N 303.745 2.766 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 122350 HGNMRYMGUGOATL-VXGBXAGGSA-N 310.419 2.597 0 50 DFAA COc1cc(NC(=O)Cc2ccccc2)c(C(=O)O)cc1OC 313505 JUMHSJNTYHYXTF-UHFFFAOYSA-N 315.325 2.583 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 609889 UVGFGTYKIKFHHF-SMDDNHRTSA-N 306.362 2.552 0 50 DFAA COc1ccc(CCNCc2ccc(C(=O)O)cc2)cc1OC 3026355 ZDYGSDSHRCPIHM-UHFFFAOYSA-N 315.369 2.734 0 50 DFAA biogenic COc1cc(OC)c(OC)cc1/C=C/c1nc(C)cc(O)n1 225793013 PGJYZTRCNZFNHK-AATRIKPKSA-N 302.330 2.687 0 50 DFAA CCc1ccc2c(c1)c(C)c(C(=O)NC[C@@H]1CCCO1)n2C 9264117 UNJWKZPLRSIYTA-AWEZNQCLSA-N 300.402 2.958 0 50 DFAA Cc1nc(S)sc1CC(=O)N1CCCC[C@H]1c1cn[nH]c1 113887665 GZQUYBYNXUEPOP-NSHDSACASA-N 322.459 2.760 0 50 DFAA Cc1ccc(S[C@H](C)C(=O)NCCCN2CCCC2=O)cc1 22626254 FXYKEGJOEDGYOT-CQSZACIVSA-N 320.458 2.604 0 50 DFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1C[C@@H]2C[C@H]1CN2 67676362 YYOINOKPRPWSML-KBPBESRZSA-N 303.793 2.850 0 50 DFAA COc1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)cc1 350488136 FFDJCKPJJHYPFO-UHFFFAOYSA-N 319.324 2.993 0 50 DFAA CC[C@H]1CN(CC2=Cc3cc(OC)ccc3OC2)CC[C@@]1(C)O 67805910 GZYDPRHUJNKKDG-QFBILLFUSA-N 317.429 2.954 0 50 DFAA CCN(CC)Cc1cnc2c(C(=O)Nc3ccccc3)cnn2c1 67727510 OHTFDKFNCTVUFE-UHFFFAOYSA-N 323.400 2.823 0 50 DFAA CS(=O)(=O)CCCN1C[C@H]2CCCC[C@]21c1ccccc1 230156671 WRPDGIBPHFAQAK-SJORKVTESA-N 307.459 2.822 0 50 DFAA CCO[C@@H]1C[C@H](NC[C@H]2Cc3ccccc3O2)C12CCOCC2 252586604 RHMVRDNGUNDKKN-BPQIPLTHSA-N 317.429 2.554 0 50 DFAA CC(C)[C@@H]1C[C@H](CC(=O)NCc2cccnc2N(C)C)CCO1 330789210 RTBVOMCNRWDECA-ZBFHGGJFSA-N 319.449 2.605 0 50 DFAA CC[C@H](NC(=O)C(=O)c1cccnc1)c1nc(C)c(C)s1 71738502 XYBWXTLSQBNBKR-LBPRGKRZSA-N 303.387 2.605 0 50 DFAA Cc1nn(C)c(N(C)C(=O)c2ccccc2)c1Br 71769244 KGGBAHBGIAFDJD-UHFFFAOYSA-N 308.179 2.768 0 50 DFAA C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1C[C@@H]2CCC[C@H](C1)C2O 239359594 AETUNCJTBKXBSL-RFSMNFJQSA-N 309.450 2.590 0 50 DFAA CC(C)N1C[C@H](C(=O)NCc2csc3c2CCCC3)CC1=O 77452746 OJVLSSGYNIIXIH-GFCCVEGCSA-N 320.458 2.500 0 50 DFAA COC(=O)[C@H](C)N(C)C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 241644283 PPRTXYMSLZEEGZ-KBPBESRZSA-N 321.417 2.906 0 50 DFAA FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1N=c1ncnc2[nH][nH]cc1-2 337657620 QIBJMDLILLXKMU-CABZTGNLSA-N 319.290 2.713 0 50 DFAA COCCN1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 71775702 DQLAUPDXBYLSJL-GOSISDBHSA-N 301.386 2.868 0 50 DFAA COc1cccc(CN2CCC[C@H](Nc3ccc(C)nn3)C2)c1 77424982 ZEZXBFQQNOAGCM-INIZCTEOSA-N 312.417 2.870 0 50 DFAA CCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40391836 MJNJYRQGYAKEMQ-UHFFFAOYSA-N 323.331 2.574 0 50 DFAA CNC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)c(C)c1 46594420 CONMKPBIRSSMJE-UHFFFAOYSA-N 315.373 2.531 0 50 DFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCc1ccsc1 82137054 KNKKTNDDSNIZLU-AWEZNQCLSA-N 308.447 2.540 0 50 DFAA O[C@H](CN1CC[C@H](OCc2ccncc2)C1)c1ccccc1F 287570570 BTQPQWQWQCONJE-MAUKXSAKSA-N 316.376 2.545 0 50 DFAA COc1ncccc1Cn1cnc2c(oc3ccccc32)c1=O 176254441 UWEHRDGIDCYMGN-UHFFFAOYSA-N 307.309 2.595 0 50 DFAA OCCn1ccc([C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)n1 426662420 ZBZDCOKEMXEGEF-MRXNPFEDSA-N 324.428 2.736 0 50 DFAA CC[C@@H]1[C@@H](NC(=O)CCc2ccccc2OC)[C@@H]2CCO[C@@H]21 220351678 PTPCFGXRVDOOEZ-LTCOOKNTSA-N 303.402 2.558 0 50 DFAA CCn1c(CN2CCCC2)nnc1C1CCN(CC(C)C)CC1 82139287 SNTJGXVKRGSHCE-UHFFFAOYSA-N 319.497 2.729 0 50 DFAA Cc1noc2nc3c(c(-c4nc([C@@H]5CCOC5)no4)c12)CCC3 96160138 DTAFCNSCVLFEBK-SECBINFHSA-N 312.329 2.574 0 50 DFAA C[C@@H]1CN(C2Cc3ccccc3C2)CC[C@@]1(O)C1CCOCC1 91289617 XETVPISYCNZDRE-QRWLVFNGSA-N 315.457 2.653 0 50 DFAA c1ccc(CCN2CCN(c3nnc(C4CCC4)o3)CC2)cc1 95353540 BVWUQCCOIMIGQR-UHFFFAOYSA-N 312.417 2.702 0 50 DFAA CN1CCC[C@@H]1c1ccc(C(=O)NCC2CCOCC2)s1 23251217 LXLIJWWWAYVJLM-CYBMUJFWSA-N 308.447 2.671 0 50 DFAA CC(C)Cc1cc(C(=O)N2CCN[C@H](c3ccccc3)C2)on1 97546701 KLKFCOUTYZOOHL-INIZCTEOSA-N 313.401 2.660 0 50 DFAA Cc1cc(C(=O)N[C@H](C)COc2c(C)cccc2C)n(C)n1 97347557 PHCOXGWBJGNHRV-CQSZACIVSA-N 301.390 2.543 0 50 DFAA CC(C)OCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95359543 AJVJVXSGOGUTAH-HNNXBMFYSA-N 305.374 2.516 0 50 DFAA CCn1cc(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cn1 245281187 ACBOLVABWVBVTA-JSGCOSHPSA-N 323.418 2.658 0 50 DFAA C[C@H](NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)O 252536998 KCPQNNKARGFQSG-ZDUSSCGKSA-N 322.364 2.893 0 50 DFAA CCc1cc(C(=O)N2CCC(COc3ccccc3)CC2)[nH]n1 299081321 CTSCRLQWGPGKHZ-UHFFFAOYSA-N 313.401 2.903 0 50 DFAA COC[C@H](NC(=O)C(C)(C)Nc1ccccc1)c1ccccn1 534632447 ADLQPAYPJYEOJC-INIZCTEOSA-N 313.401 2.776 0 50 DFAA COCC1(NC(=O)c2nn(C)c3ccc(C)cc23)CCCC1 299803143 YEVBJCLOZAYLDE-UHFFFAOYSA-N 301.390 2.571 0 50 DFAA CN1CCC(c2nnc3sc(-c4ccc(F)cc4)nn23)CC1 823766032 UWRYENNIEGGQNG-UHFFFAOYSA-N 317.393 2.801 0 50 DFAA COc1cccc2c(=O)n(C[C@H](C)c3nc(C)cs3)cnc12 584896324 WYWXWFRWRZCPLG-JTQLQIEISA-N 315.398 2.974 0 50 DFAA O=C(O)[C@@H](CNCc1cc2ccccc2o1)C1CCOCC1 863741999 MRYYTKJHXJXZDJ-HNNXBMFYSA-N 303.358 2.650 0 50 DFAA CSC[C@H](C)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 863947745 DXYIWOQNVXOKKX-JSGCOSHPSA-N 315.442 2.945 0 50 DFAA Cc1oc(CN(C)C(=O)C=C(C2CC2)C2CC2)cc1C(=O)O 268934916 NHRTYVULEADXMO-UHFFFAOYSA-N 303.358 2.991 0 50 DFAA c1ccc(-c2cc(N3CCO[C@@H]([C@@H]4CCCO4)C3)ncn2)cc1 872479703 PHLGXSDRFWJPLX-DLBZAZTESA-N 311.385 2.528 0 50 DFAA CCC1(S(=O)(=O)NC(=O)c2cc(C)ccc2Cl)CC1 1875284091 LBBVVNUEWKQZRW-UHFFFAOYSA-N 301.795 2.651 0 50 DFAA COc1cccc([C@@H](C)C(=O)NCc2ccsc2C(=O)O)c1 1875286090 FRRHZFUOIULRGL-SNVBAGLBSA-N 319.382 2.875 0 50 DFAA N=c1cc(N)nc(S[C@@H]2CCCC(=O)c3ccccc32)[nH]1 1875273635 WQSPDNVKRLMCAE-GFCCVEGCSA-N 300.387 2.671 0 50 DFAA CC(C)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1 1875274235 XLRFCCGJAUHPPF-CABCVRRESA-N 309.431 2.962 0 50 DFAA COCc1c(C(=O)NC2(C)CCOCC2)oc2ccccc12 269784273 HEIHNIXWAAYQSF-UHFFFAOYSA-N 303.358 2.878 0 50 DFAA CNS(=O)(=O)c1cc(C2(c3ccccc3)CC2)ccc1C 1875304400 JIYZEZDKKWWNBO-UHFFFAOYSA-N 301.411 2.983 0 50 DFAA O=C(NCCc1ccns1)N[C@@H]1CCc2cc(F)ccc21 883190832 MUPBCILNZHNWRR-CQSZACIVSA-N 305.378 2.811 0 50 DFAA O=C(Cc1coc(-c2ccccc2)n1)N[C@]12CCC[C@H]1OCC2 1433546652 GRMYOZUAYBQGRB-QAPCUYQASA-N 312.369 2.712 0 50 DFAA CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C(C)C 270663378 OUGFOTHRVLFOAS-IRXDYDNUSA-N 316.445 2.976 0 50 DFAA 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CCC[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)C[C@H]1N(C)C 95525593 JBBHMQYCLVDHQV-HZPDHXFCSA-N 304.434 2.806 0 50 DFAA CN(Cc1ccc(-n2cccn2)cc1)c1ccc(C(=O)O)cn1 95508507 IYTFLWFMLNSVRO-UHFFFAOYSA-N 308.341 2.602 0 50 DFAA CCc1ccc([C@H]2COCCN2C(=O)c2ncoc2C2CC2)o1 294994829 LQMQQPBPEJCWOA-CYBMUJFWSA-N 316.357 2.921 0 50 DFAA O=C(O)CCc1nc(C2CCOCC2)nn1CC1CCCCC1 97696237 ZGTCMHYQEWGVFD-UHFFFAOYSA-N 321.421 2.770 0 50 DFAA Cc1cccc([C@H]2CCCN2C(=O)c2cccc3c2CNC3)n1 621656674 VATOVYQQUSQAHR-GOSISDBHSA-N 307.397 2.971 0 50 DFAA C[C@@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@H]1C(=O)OCCOc1ccccc1 253387600 OERJGQPUNVLUNV-TXPWEPMLSA-N 318.369 2.586 0 50 DFAA COCC1(C(=O)NC2CCN(c3ccccc3F)CC2)CCC1 299788632 YTNPWBAPSIIVGS-UHFFFAOYSA-N 320.408 2.727 0 50 DFAA C[C@@H](C(=O)Nc1nccs1)N(Cc1cccc(O)c1)C1CC1 299773827 FFKRNLWNONXOLD-NSHDSACASA-N 317.414 2.840 0 50 DFAA C[C@@H](c1nc(-c2ccco2)nn1CC(C)(C)O)N1CCCCC1 822276798 OQRGRTFKBRUCQB-ZDUSSCGKSA-N 318.421 2.856 0 50 DFAA Cc1cc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)c(C)cn1 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Cc1c(C(=O)Nc2cncc(C(=O)O)c2)cnn1C1CCCC1 1774196614 WWIRPUUPZHUILK-UHFFFAOYSA-N 314.345 2.652 0 50 DFAA COc1nn(C)cc1CNC(=O)N[C@@H](C)c1cccc(C)c1C 893054593 GOSCOSCAEKUCCQ-ZDUSSCGKSA-N 316.405 2.606 0 50 DFAA O=C(N[C@H](CC1CC1)C(=O)O)c1csc(C(F)(F)F)c1 630160938 WEGWSMGGAZAPKQ-MRVPVSSYSA-N 307.293 2.750 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCC([C@H](O)c2ncc[nH]2)CC1 170091153 MUMQRQBMVXJDOC-AWEZNQCLSA-N 318.352 2.526 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)o1 639829704 GDSPYNXIVGQQMK-ZBEGNZNMSA-N 318.348 2.653 0 50 DFAA Cn1c(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc2ccccc21 585118068 AKXAQUSOUWKDFO-HOCLYGCPSA-N 320.458 2.624 0 50 DFAA Nc1cccc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)n1 1529142393 NKKUKFXEEYLHGD-DLBZAZTESA-N 323.396 2.656 0 50 DFAA CC[C@H](C)n1nc(C)cc1NC(=O)c1ccccc1-n1cnnc1 1529127048 YAGWCJQOZBZVHK-ZDUSSCGKSA-N 324.388 2.996 0 50 DFAA Cc1nc(N2CCCC2)nc(NCCC2(O)CCCC2)c1C 1704300678 YGAHURNGVFSYKB-UHFFFAOYSA-N 304.438 2.801 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H]1c1noc(COCC2CC2)n1 1615552047 QUTWKOXQGACYNA-NSHDSACASA-N 309.366 2.678 0 50 DFAA Cc1ccc2ccccc2c1CN1C[C@@H]2COCC[C@]2(CO)C1 1772712952 WHMWYHLVJPGTTL-YLJYHZDGSA-N 311.425 2.979 0 50 DFAA O=C(NCc1[nH]nc2ncccc12)c1c[nH]nc1C1CCCCC1 1772809938 AHKOBNKTLXHERK-UHFFFAOYSA-N 324.388 2.659 0 50 DFAA O=C(CCC(F)(F)F)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 14951210 QZRDPBARTNVDCR-LLVKDONJSA-N 320.355 2.769 0 50 DFAA Cc1cccc(-c2noc(CCC(=O)NCc3cccnc3)n2)c1 2341571 XQOYCLPDGXTXRX-UHFFFAOYSA-N 322.368 2.689 0 50 DFAA COc1ccc(OC)c(NC(=O)COc2ccccc2OC)c1 2921331 RTHRAIKJLQNATR-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA C[C@@H]1CN(Cc2ccc3c(c2)CCC(=O)N3C)CC(C)(C)O1 186915441 GRXZEYURMARESF-CYBMUJFWSA-N 302.418 2.595 0 50 DFAA CCc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)cc1 630283731 UDZNZJVPTRIJPX-HRCADAONSA-N 301.386 2.964 0 50 DFAA CCCC[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H](C(C)C)O1 1875247597 MBHBUPWDAZNTFS-HZPDHXFCSA-N 322.453 2.501 0 50 DFAA NC(=O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12 105275 NISNJNISVXZUQS-UHFFFAOYSA-N 306.247 2.514 0 50 DFAA in-vitro O=C(N[C@@H](C(=O)O)c1ccccc1)[C@H]1CCc2ccccc2C1 322874843 RUILLMKYUNTNEY-DLBZAZTESA-N 309.365 2.734 0 50 DFAA CC(C)n1nccc1CN1CCC[C@@H]1c1ccc(N(C)C)nn1 643707837 HDXJLXSGXKRFNC-MRXNPFEDSA-N 314.437 2.657 0 50 DFAA CN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(F)c1 262749150 AEIFZYNQIFQSLS-LBPRGKRZSA-N 322.380 2.609 0 50 DFAA OCC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1F 830351092 NRHDAZQAXYSYKP-SJORKVTESA-N 307.340 2.712 0 50 DFAA C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1F 120893021 NCWSBJNUISJDFP-BDAKNGLRSA-N 303.736 2.994 0 50 DFAA CCOC1(C)CCN(Cc2c3c(nn2C)CCSC3)CC1 894830586 JQXPQHCKFCEQLX-UHFFFAOYSA-N 309.479 2.600 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2F)N1 186393 KQMMJWLHUVQLLA-CVEARBPZSA-N 310.328 2.995 0 50 DFAA biogenic CSc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21 223977 MLBOVDWBYKKJMR-UHFFFAOYSA-N 314.366 2.955 0 50 DFAA CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)NC(=O)[C@H]12 326901 XBXOEENJCWAXAG-MVYVIFSASA-N 303.361 2.514 0 50 DFAA CCCc1nc(CN(CC)C(=O)c2ccc3ccccn23)no1 2356166244 YPHVLKJEWHKZKM-UHFFFAOYSA-N 312.373 2.937 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2nn(C)c3ccccc23)c1 55359184 CTVJJOGLMJVTRS-CQSZACIVSA-N 322.412 2.980 0 50 DFAA Cc1nc(CNC(=O)c2onc3ccccc23)nc2c1CCCC2 67458206 ZMHVROQBCRDJFS-UHFFFAOYSA-N 322.368 2.735 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)c1ccccc1 20278939 JHHMSCBXTKOKTK-ZDUSSCGKSA-N 312.369 2.761 0 50 DFAA C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)C1 252486767 NAMQKXYLEOSDAS-HDEZJCGLSA-N 324.465 2.669 0 50 DFAA CC(=O)N(C1CCC1)[C@@H]1CCCN(C(=O)c2ccc(C)o2)CC1 328629058 HWDIZGHZNRDWMJ-MRXNPFEDSA-N 318.417 2.984 0 50 DFAA COc1ccc(-n2nc(CC(C)C)nc2Cn2cccn2)cc1 65398105 ASHVMAAKRBJGDM-UHFFFAOYSA-N 311.389 2.719 0 50 DFAA CN(C)CCCNc1ncnc2ccc(Br)cc12 1766172 GWPIGCFYFJFMEX-UHFFFAOYSA-N 309.211 2.756 0 50 DFAA Cc1noc(-c2ccc(NC[C@@H](C)Oc3cccnc3)nc2)n1 39358054 SZSZZXRSOQCQJG-LLVKDONJSA-N 311.345 2.714 0 50 DFAA CCc1csc(CNC(=O)c2ccccc2[C@@H]2CCNC2)n1 72151337 ZNHAYTNWMZLBLK-GFCCVEGCSA-N 315.442 2.712 0 50 DFAA CC[C@H](Nc1cc(C)nc2c(C)c(C)nn12)c1nc(C)no1 72421899 NIADMXXKHMLLQP-LBPRGKRZSA-N 300.366 2.909 0 50 DFAA O=C(NCC1CCOCC1)N1CC[C@@H](Cc2ccc(F)cc2)C1 172457497 VDYQBXGRQDRXDB-INIZCTEOSA-N 320.408 2.826 0 50 DFAA CC(C)C[C@@H](O)C1CCN(Cc2cnn(C)c2C2CC2)CC1 77471775 IKDISBXUZHHDQX-QGZVFWFLSA-N 305.466 2.917 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cn3cccn3)cc2)n1 31390916 DDQBIPNCCREYAV-AWEZNQCLSA-N 323.400 2.504 0 50 DFAA CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CCCSCC1 253432895 PMYQNVZGFFHCHU-KGLIPLIRSA-N 300.468 2.586 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1Cc1nnc(-c2ccco2)o1 72149738 VBXMHZYWTJTZCV-GFCCVEGCSA-N 319.361 2.637 0 50 DFAA C[C@H](c1nnc(O)[nH]1)n1ccnc1-c1coc(-c2ccccc2)n1 71764064 FUACWKACQXJLKU-SNVBAGLBSA-N 322.328 2.638 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)CCCOc2ccccc2)C1 238000393 WGXBLAXWEVOSEH-OAHLLOKOSA-N 319.401 2.949 0 50 DFAA NC(=O)CC[C@@H]1CCCN(c2nccc(C3CCCC3)n2)C1 77357479 OHCYIZKTNIXGMH-ZDUSSCGKSA-N 302.422 2.616 0 50 DFAA C[C@@H](N)[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 262569767 GHUKTESDDHIIAO-YPMHNXCESA-N 314.351 2.834 0 50 DFAA O=S(=O)(Cc1ccccc1)NCC1(c2ccccn2)CCC1 375633317 YSFSYNRATUOYQG-UHFFFAOYSA-N 316.426 2.623 0 50 DFAA O=C(Cc1ccncc1)NC[C@@H](c1ccccc1)N1CCCCC1 215531635 BEZHQMVNPBDBCV-IBGZPJMESA-N 323.440 2.968 0 50 DFAA O=C(c1ccc(F)cn1)N1CCc2c(cnn2-c2ccccc2)C1 337453010 LLOAKYNNSINUBO-UHFFFAOYSA-N 322.343 2.605 0 50 DFAA O=C(Cc1ccccc1Cl)NC[C@@H]1CSCCS1 176658468 XKGBLWPHXLFTGQ-LLVKDONJSA-N 301.864 2.847 0 50 DFAA Cc1cc(-n2nc(C)cc2NC(=O)c2ccoc2C)nc(C)n1 176797015 QVXXPWLXGUWGRH-UHFFFAOYSA-N 311.345 2.741 0 50 DFAA CN(Cc1cscn1)C(=O)CCn1cnc2ccccc21 194377985 XBOOBAMYMJCULM-UHFFFAOYSA-N 300.387 2.542 0 50 DFAA COC[C@@H](c1ccccn1)N(C)C(=O)Nc1ccnn1C(C)C 96133714 BCEMFPCLXRGCPT-AWEZNQCLSA-N 317.393 2.710 0 50 DFAA COc1cc2c(cc1CNC(=O)[C@@H]1CCCCCN1C)CCC2 95362685 DOBYTACKCNDRNC-KRWDZBQOSA-N 316.445 2.675 0 50 DFAA CCCCn1ncnc1C[C@@H](C)n1nc(C)c(C(C)=O)c1C 91643874 BWNVNVDBOHZBJA-LLVKDONJSA-N 303.410 2.898 0 50 DFAA CCC[C@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@@H]1N 91548748 DWZBORLRMYFSGW-JSGCOSHPSA-N 314.351 2.834 0 50 DFAA CCOCC1CCN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1 95367394 GFFYVKUKENWFDO-QGZVFWFLSA-N 322.424 2.704 0 50 DFAA COC[C@@H]1CCCN1CCC(=O)Nc1ccc(F)c(Cl)c1 244691687 JHGDSBLMSUNWJI-LBPRGKRZSA-N 314.788 2.919 0 50 DFAA N[C@H]1C[C@@H](c2cc(NCCCCN3CCCCCC3)ncn2)C1 244748730 ONFWXDVVEDOCTN-IYBDPMFKSA-N 317.481 2.749 0 50 DFAA CC[C@@H]1CN(CCCc2cccc(C)c2)CCN1C[C@H](C)O 245554369 SHFFCXHIBXGTAI-PKOBYXMFSA-N 304.478 2.705 0 50 DFAA C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)C[C@H](c2ccccc2)O1 299233730 IVUUWMGWSDBRJH-DJIMGWMZSA-N 307.434 2.624 0 50 DFAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cscn1 264004566 MFUOTABMJLYRIX-CYBMUJFWSA-N 304.371 2.953 0 50 DFAA CCOC(=O)N1CC[C@H](NCCc2c[nH]c3c(C)cccc23)C1 534667061 BXJWHTUKLRIEQM-HNNXBMFYSA-N 315.417 2.839 0 50 DFAA Cc1ccc2ncn(Cc3cccc(-n4cccn4)c3)c(=O)c2c1 373385691 UYAVLQXKQCNWMP-UHFFFAOYSA-N 316.364 2.939 0 50 DFAA Cc1nnc(CCNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)s1 299776267 MIKLULROCTWEAY-VIFPVBQESA-N 318.402 2.534 0 50 DFAA O=C1CCCCCN1CCC(=O)N1CC[C@H]1c1ccc(F)cc1 826585279 XGMWWIJRACFBJC-INIZCTEOSA-N 318.392 2.892 0 50 DFAA COc1ccc(Cc2n[nH]c(CC[C@H]3CCCN(C)C3)n2)cc1 824674609 SKXJDWCRAKNCJL-OAHLLOKOSA-N 314.433 2.679 0 50 DFAA Oc1cc(CNc2ncnc3c(F)cccc23)nc(C2CC2)n1 952880993 DGYWKVOMPJAHFD-UHFFFAOYSA-N 311.320 2.754 0 50 DFAA COC(=O)c1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c[nH]1 1875256491 VEWCCKFMGQYYRH-UHFFFAOYSA-N 302.117 2.689 0 50 DFAA CO[C@@](C)(C(=O)O)C(=O)Nc1cccc(OC2CCCCC2)c1 1875267399 ZYQWFJCCWKWPRV-QGZVFWFLSA-N 321.373 2.826 0 50 DFAA CC(C)N1CCC(CC(=O)NC2(CN3CCCCC3)CC2)CC1 952966999 YHHVLVXKROHCAM-UHFFFAOYSA-N 321.509 2.632 0 50 DFAA O[C@@H](CN1CCC(Cc2nccs2)CC1)c1ccc(F)cn1 879208857 XFMVFPHFFBRZJR-HNNXBMFYSA-N 321.421 2.665 0 50 DFAA O=C(NCCNC(=O)C1(C2CCC2)CCC1)c1ccc(F)cc1 408519991 CBNWNFPBZDSHDK-UHFFFAOYSA-N 318.392 2.642 0 50 DFAA CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(CC(=O)O)cc2)C1 668281839 DNQLCQFWZVBXEG-DZGCQCFKSA-N 305.374 2.848 0 50 DFAA COC1(C(=O)Nc2ccn(-c3ccncc3)n2)CCCCC1 274647886 CUECQJUNEHVSSJ-UHFFFAOYSA-N 300.362 2.555 0 50 DFAA C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2Cc1c(Cl)cccc1C(=O)O 634697219 CXJCRDMWIUMSGN-RZCHIYRCSA-N 309.793 2.772 0 50 DFAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)[C@H](O)C2CCCCC2)C1 188793311 PJCYAUDMOGSQPR-KBRIMQKVSA-N 302.418 2.932 0 50 DFAA C[C@@H](CC(=O)N1CCNC(=O)CC1(C)C)Cc1cccc(F)c1 585129059 WZCWWGZOMCAVFV-CYBMUJFWSA-N 320.408 2.522 0 50 DFAA CN1CCC[C@H]1c1cc(C(=O)NCC2(c3ccccc3)CC2)n[nH]1 585132282 SALFEUATKLRNDN-KRWDZBQOSA-N 324.428 2.638 0 50 DFAA CC(=O)N1CC(C(=O)N2CCCSc3ccc(Cl)cc32)C1 191184986 MXNMITVDEOGTEW-UHFFFAOYSA-N 324.833 2.647 0 50 DFAA C[C@@H]1CN(C(=O)C(C)(C)Cc2cccc(Cl)c2)C[C@H]1CO 191835478 ARFMFZKWKZEUIC-OCCSQVGLSA-N 309.837 2.996 0 50 DFAA O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc2cc[nH]c2c1 194821669 XEIMSSSHFMUZRJ-UHFFFAOYSA-N 320.414 2.854 0 50 DFAA Cc1cnc(OC2CCN(Cc3ccc(Cl)cn3)CC2)nc1 653799355 WLLQRJHPLIXOOF-UHFFFAOYSA-N 318.808 2.877 0 50 DFAA CC1(C)C[C@]1(NC(=O)NC[C@@H]1CCN1C1CC1)c1ccccc1 1616044701 WLRJWCSBSWRQLS-LPHOPBHVSA-N 313.445 2.848 0 50 DFAA COCCSc1ccccc1C(=O)NCc1cccnc1 12417957 ZKPFJXCJALFYFN-UHFFFAOYSA-N 302.399 2.750 0 50 DFAA Nc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 4678287 YINHAZWRWMKJAF-UHFFFAOYSA-N 310.382 2.825 0 50 DFAA O=C(NC1CCCC1)c1cc(-c2ccc3c(c2)OCO3)on1 2465572 RKVJPWHJPXEKLE-UHFFFAOYSA-N 300.314 2.743 0 50 DFAA O=C1NCC[C@H]1n1ccnc1-c1cccc(CC(F)(F)F)c1 1857688598 RXMZFXDUYXFBKH-GFCCVEGCSA-N 309.291 2.716 0 50 DFAA CS(=O)(=O)c1ccc(-c2nccn2[C@@H]2CCSC2)cc1 1875245690 MEFGTYGNQPODHK-GFCCVEGCSA-N 308.428 2.632 0 50 DFAA CCOc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239073261 GUILWQHLLVHRFG-LWWSYDQCSA-N 301.342 2.547 0 50 DFAA Cc1cc(CCNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)on1 366613296 YABJPHRPNXTNSL-HNNXBMFYSA-N 314.389 2.713 0 50 DFAA Cc1c(F)cccc1S(=O)(=O)N(C)Cc1ccccc1N 158482695 ZBKLCSMKRHVPCX-UHFFFAOYSA-N 308.378 2.537 0 50 DFAA CCn1nccc1CNc1nnn(-c2ccc(F)cc2)c1C 1657121146 GILNLPZLPLQBDU-UHFFFAOYSA-N 300.341 2.543 0 50 DFAA O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ncn[nH]1 5995910 VDYDEGKAGHIQDC-UHFFFAOYSA-N 321.551 2.782 0 50 DFAA O=C(c1cc(Cl)ccc1Cl)N1CCC2(CC1)OCCO2 13326143 PWHPGWVAOCMVOW-UHFFFAOYSA-N 316.184 2.973 0 50 DFAA Cc1nc(NC(=O)c2scc(C)c2Br)n(C)n1 191005776 AHANIQIPBBPXKT-UHFFFAOYSA-N 315.196 2.508 0 50 DFAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)CC(=O)N2 13133574 PGDXMAPOWOXWNR-MRVPVSSYSA-N 321.789 2.619 0 50 DFAA COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O 2030715 LWBHKKLWSUFUNZ-HNNXBMFYSA-N 316.309 2.822 0 50 DFAA endogenous,in-man O=C1O[C@@H](O)C(c2cc3ccccc3s2)=C1Br 28639653 ICCDILPNCJIDAW-LLVKDONJSA-N 311.156 2.883 0 50 DFAA in-vitro CC1(C)C[C@@H](C(F)F)CN1C(=O)c1cnc(N)c(Cl)c1 2325807610 GJZACHXMNLSDMM-MRVPVSSYSA-N 303.740 2.823 0 50 DFAA CC(C)CO[C@@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1(C)C 2325854778 UILKJZBRLAWPOL-HZPDHXFCSA-N 315.417 2.904 0 50 DFAA COC(=O)c1c(OC)c(C)c(OCC=C(C)C)c2c1[C@@H](O)OC2 2332918060 DJFCDZUAMDWFPX-KRWDZBQOSA-N 322.357 2.656 0 50 DFAA O=C(Nc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccnc1 151333945 MYLSJBXPYYATMA-INIZCTEOSA-N 309.369 2.715 0 50 DFAA CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 74154 PNDZTDZWHSSHEH-ZDUSSCGKSA-N 324.446 2.846 0 50 DFAA COc1ccc(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4268567 LMBJOXMSSKLGLH-UHFFFAOYSA-N 322.364 2.984 0 50 DFAA biogenic Cc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c(C)c1 59759707 OCQSWNXHBPXAOF-UHFFFAOYSA-N 303.406 2.636 0 50 DFAA COc1cccc2c1CCCCN2C(=O)[C@H]1C[C@H]2CC[C@H]1O2 110693228 MLKLBSWOHSOFPD-HACGYAERSA-N 301.386 2.932 0 50 DFAA Cn1c(CN[C@H]2CCN(c3ccccc3)C2)nc2ccccc21 106475178 QSMUXJHKQIZTAE-HNNXBMFYSA-N 306.413 2.942 0 50 DFAA COc1nsc(CNc2cnc3c(c2)COCC3)c1Cl 1364891462 CDCSNPLKDYJPGA-UHFFFAOYSA-N 311.794 2.885 0 50 DFAA CCn1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cn1 114240875 AJJZKPRZXDQKLS-INIZCTEOSA-N 315.373 2.713 0 50 DFAA C[C@H](CNC(=O)c1n[nH]c2ccccc12)N(C)c1ccccc1 67920268 AOKJWTRKVGUOQS-CYBMUJFWSA-N 308.385 2.818 0 50 DFAA Fc1ccc(CCCN2CCCC[C@H]2CN2CCOCC2)cc1 20861423 BNISRNHHPSGJHH-IBGZPJMESA-N 320.452 2.945 0 50 DFAA Cc1cc(C(=O)NCc2ccccc2-n2ccnc2C)nc(C)n1 65421259 MBNBSUQXWSQBGY-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA CCc1nn(C)cc1CNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 230240063 OUNQXVWPIABUOS-JGGQBBKZSA-N 304.438 2.703 0 50 DFAA CN(C[C@H](O)C1CC1)C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 252477265 KZFZGNAEZGECEM-ULQDDVLXSA-N 320.408 2.874 0 50 DFAA C[C@]1(CNC(=O)/C=C/c2nc3ccccc3s2)CCCO1 123238741 OPCWVKJKZBDVGH-KXPUMZMLSA-N 302.399 2.995 0 50 DFAA CC(C)(CNC(=O)NC[C@@H]1CCCOC1)c1cccc(F)c1 172430949 JESOOXZGAQQQCY-ZDUSSCGKSA-N 308.397 2.829 0 50 DFAA CSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1F 4916689 GJDAYHSLBGAMHV-GFCCVEGCSA-N 323.389 2.609 0 50 DFAA O=C(c1ccc2ccccc2n1)N1CCO[C@H](C(F)(F)F)C1 72157732 ZCQBQTIQLFOHHW-ZDUSSCGKSA-N 310.275 2.638 0 50 DFAA CC(C)c1ccc(C[C@@H](C)NC(=O)N2CC[C@H](C(=O)O)C2)cc1 263253468 PHBUSGLSBNRSTB-CJNGLKHVSA-N 318.417 2.857 0 50 DFAA CCOc1ccc(-c2ccnc(-c3ncccn3)n2)cc1C(=O)O 77471618 XHHDROXMYNAIDB-UHFFFAOYSA-N 322.324 2.698 0 50 DFAA Cc1cc(F)cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)n2ccnc21 333104007 QMQYMNYATDFMKO-WCQYABFASA-N 323.393 2.623 0 50 DFAA CC[C@H](NC(=O)Nc1c[nH]nc1-c1nccs1)[C@@H]1CCCO1 333504443 DEMVCRQKNKNXLH-ONGXEEELSA-N 321.406 2.612 0 50 DFAA COc1ccc(F)c(-c2nccn2CCCn2ccnc2)c1 71315314 INMPGHSVOITDTH-UHFFFAOYSA-N 300.337 2.985 0 50 DFAA Cc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1 13324470 AGLRPNQDRUOJED-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA CCOC(=O)[C@]1(C)CCCN(C(=O)OCc2ccccc2)C1 39351815 JFARWSFILDKQQJ-QGZVFWFLSA-N 305.374 2.988 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cc1ccoc1 130401744 ZGOBAQACHSLFMS-OCCSQVGLSA-N 322.405 2.726 0 50 DFAA Cc1cc(CS(=O)(=O)N(C)c2ccc(C)c(Cl)c2)no1 284294066 MQQZAMMCGLYINO-UHFFFAOYSA-N 314.794 2.911 0 50 DFAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N1C2CCCC1CCC2 607868849 WSMKCUSPWKEDRL-HTWSVDAQSA-N 312.413 2.898 0 50 DFAA CNC(=O)COc1ccccc1CCOc1ccc(F)cc1 82120200 AITAYOUQDPSPDM-UHFFFAOYSA-N 303.333 2.572 0 50 DFAA CCCC(CCC)C(=O)N1CCC(n2cc([C@@H](C)O)nn2)CC1 48297803 ZJIUHFOJINVSKT-CYBMUJFWSA-N 322.453 2.711 0 50 DFAA CCNc1nc(C(=O)N2CCOc3ccc(C)cc3C2)cs1 290590305 QROYDBGCWVIMEN-UHFFFAOYSA-N 317.414 2.918 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)s2)C1 178261083 YRYKLELNLZLYEG-LBPRGKRZSA-N 301.367 2.962 0 50 DFAA CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)nc1 237068774 KBZZQXKIOZSURH-CYBMUJFWSA-N 316.382 2.991 0 50 DFAA O=C([C@@H]1CCCN(C2CCCC2)C1)N1CCc2ncccc2C1 95353171 LYLAPVUYOUNLKK-MRXNPFEDSA-N 313.445 2.621 0 50 DFAA CC[C@H](NC(=O)c1ccc2cccc(F)c2n1)[C@H]1C[C@H](O)C1 243893353 AQEIGZKZCIYNHO-OBJOEFQTSA-N 302.349 2.653 0 50 DFAA COc1cccc(OCCN2CC(N3CCCC[C@@H]3C)C2)c1 244723509 MCWVRTVYNPPIMA-HNNXBMFYSA-N 304.434 2.633 0 50 DFAA O=C1CCCN1CCN(Cc1ccccn1)C1CCCCC1 252510061 ZAXYZLYMTPUERE-UHFFFAOYSA-N 301.434 2.839 0 50 DFAA CCn1c(C)cc(C(=O)N(C)CCn2nc(C)cc2C)c1C 299770385 RQADICRMMJTZRU-UHFFFAOYSA-N 302.422 2.710 0 50 DFAA Cc1n[nH]c(C2CC2)c1C(=O)N(C)C[C@H]1CCN(CC(C)C)C1 299778966 IXLWDPUFKZPNBI-CQSZACIVSA-N 318.465 2.645 0 50 DFAA Cc1cnc2c(Cl)c(C(=O)N(C)C3CCSCC3)nn2c1 299783552 WRKOARYJOBYPEQ-UHFFFAOYSA-N 324.837 2.659 0 50 DFAA COc1cccc([C@H]2CCN(CCCCC(=O)O)C2)c1OC 670468393 YAKPPKFINZIKEZ-ZDUSSCGKSA-N 307.390 2.748 0 50 DFAA C=CC(=O)N[C@@H](CCC)c1ncc(-c2ccc3c(c2)OCO3)[nH]1 1875366010 QYYJYVBQQOHIDH-LBPRGKRZSA-N 313.357 2.949 0 50 DFAA NC(=O)CC[C@H]1CCCN(CCC(=O)c2ccc(Cl)cc2)C1 1875328455 SLRSUIQFQOICEP-CYBMUJFWSA-N 322.836 2.890 0 50 DFAA COC(=O)/C=C/CCNC(=O)C1CC(c2cccc(F)c2)C1 1875312183 VRHBCNMFYANSGL-FARCUNLSSA-N 305.349 2.555 0 50 DFAA Cc1nc(-c2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2)n[nH]1 952974361 VQVBZZSAHGRMBQ-HNNXBMFYSA-N 313.405 2.626 0 50 DFAA COC(=O)c1ccccc1Oc1ncc(Br)cn1 44137185 WWAVMSQVOMOCQM-UHFFFAOYSA-N 309.119 2.818 0 50 DFAA in-vitro Cn1cnc(-c2ccc(NCc3cnn(C)c3C3CC3)cc2)n1 1178454208 FJMFAUXMKXKHCF-UHFFFAOYSA-N 308.389 2.705 0 50 DFAA O=C(NCc1cnn(Cc2ccccc2)c1)N1CCC=C(F)C1 274103475 KEKZAPURNRPDIY-UHFFFAOYSA-N 314.364 2.700 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2nccs2)C1(C)C 397806468 DZXDHAOEWRAVGQ-MNOVXSKESA-N 311.451 2.925 0 50 DFAA CC(C)(C)NC(=O)N1CCC(Nc2nc(C3CC3)ns2)CC1 170594621 OBBWTKVLBREGHZ-UHFFFAOYSA-N 323.466 2.800 0 50 DFAA CC[C@]1(CO)CCCN(C(=O)Nc2cn(C)nc2C(C)C)C1 280883189 ZTCRTXXZACXWHB-INIZCTEOSA-N 308.426 2.560 0 50 DFAA Cc1c(-c2cc(CO[C@H]3CCCc4c[nH]nc43)on2)cnn1C 190147353 MAZLUIBUIABRGB-HNNXBMFYSA-N 313.361 2.701 0 50 DFAA O=C(c1ccc(F)cc1O)N1CCC(c2ccncc2)CC1 192292562 NPBZOHPDWNMVRO-UHFFFAOYSA-N 300.333 2.946 0 50 DFAA CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1 192418263 QFVQDBAEAJASRM-SNVBAGLBSA-N 308.769 2.564 0 50 DFAA CC(C)CO[C@@H](C)C(=O)NCc1ccc(-c2cnc[nH]2)cc1 585130377 OMYWJLKKYNGXGY-ZDUSSCGKSA-N 301.390 2.754 0 50 DFAA CNCC(=O)NCc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1 193138550 ZXCQDCWPXHZAHL-ZDUSSCGKSA-N 310.397 2.513 0 50 DFAA CN1CCCC[C@H]1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 737517401 IFHFYVOFUXMHKW-LBPRGKRZSA-N 302.330 2.554 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC[C@@H]1C(=O)O 659224791 WKNQBCRECLATLM-RHYQMDGZSA-N 321.339 2.924 0 50 DFAA O=C1CCCC[C@@H](C(=O)Nc2cscc2Br)N1 408522667 LIWNMSYHYSRNKH-QMMMGPOBSA-N 317.208 2.508 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)NCc3cccs3)C[C@@H]21 1704340313 ZPISBIZSMZAIHC-IVMMDQJWSA-N 308.447 2.831 0 50 DFAA Cc1occc1-c1nnc(SC[C@@H]2CCCN(C)C2)n1C 1615542124 IYNFSEBEBBWOBD-GFCCVEGCSA-N 306.435 2.817 0 50 DFAA CCCCS(=O)(=O)NC1CCN(CC2=CCCCC2)CC1 1616037987 ICWQJQLPLGIWDH-UHFFFAOYSA-N 314.495 2.671 0 50 DFAA OC1([C@H]2CCCN2Cc2cnn(-c3ccccc3F)c2)CC1 1772811894 AJWSKKIHTJVRCE-MRXNPFEDSA-N 301.365 2.501 0 50 DFAA COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3ccccn3)C2)c1 11699922 RQZBVQXHGPZKBH-HNNXBMFYSA-N 324.380 2.825 0 50 DFAA COc1cc(C)ccc1OCc1nc(C(=O)NC2CCC2)co1 15064045 OWHHZDIGFNNWQS-UHFFFAOYSA-N 316.357 2.853 0 50 DFAA Cn1nccc1C=Cc1nc(-c2ccccc2)ncc1C(=O)O 1857533236 GSIZNQQNMJRGFL-UHFFFAOYSA-N 306.325 2.746 0 50 DFAA Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccccc2Cl)n1 1857666242 GOFNRSZNGOTCMJ-LLVKDONJSA-N 314.780 2.551 0 50 DFAA Cn1nc2c(c1NC(=O)CSC[C@@H]1CCCCO1)CCCC2 601843900 YTCUMRARUSFXNO-LBPRGKRZSA-N 323.462 2.540 0 50 DFAA C[C@H](CNc1ncnc2c1ncn2C)c1ccc(F)cc1F 608095682 TUUCMBPRINARSH-SECBINFHSA-N 303.316 2.857 0 50 DFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2ccon2)C1 253392697 CUDJRFFQUXCAFP-LBPRGKRZSA-N 319.792 2.893 0 50 DFAA CCC(CC)NS(=O)(=O)c1ccc(Br)cc1 457108 YUKDRGGTCIRQRE-UHFFFAOYSA-N 306.225 2.916 0 50 DFAA C[C@H]1CN(C2CC2)CCN1C(=O)CCCOc1ccccc1 1611460912 MPLXPFDBOKTEGB-HNNXBMFYSA-N 302.418 2.541 0 50 DFAA COc1ccc(OC2CCN(Cc3cnc(C)[nH]3)CC2)cc1 2325719114 UHEAVQSAXMRFTA-UHFFFAOYSA-N 301.390 2.770 0 50 DFAA Cc1c(CNCC2(C)CS(=O)(=O)C2)ccc2ccccc12 2325784359 XDEINTRYLVFCQL-UHFFFAOYSA-N 303.427 2.673 0 50 DFAA CC(C)(C)c1cncc(CN2C[C@H](CC(=O)O)OCC2(C)C)c1 2325788306 XFFLTFDIDTWEAS-HNNXBMFYSA-N 320.433 2.833 0 50 DFAA CO[C@@H](C(=O)O)C1CCN(Cc2cc(C(C)(C)C)ccn2)CC1 2325791865 FCTNOUMHCRLMDM-MRXNPFEDSA-N 320.433 2.691 0 50 DFAA CCN(Cc1nn[nH]n1)C(=O)C1=C(c2ccccc2)CCCC1 2325806739 DEXJSOZBTSSDGO-UHFFFAOYSA-N 311.389 2.576 0 50 DFAA O=C(NCc1ccc2ccccc2c1)c1ccc2n1CCNC2 2325855645 JKZZYZWFNJYOGD-UHFFFAOYSA-N 305.381 2.675 0 50 DFAA COC(=O)CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 125203 HPUQODUIFVKDEU-UHFFFAOYSA-N 311.337 2.809 0 50 DFAA CCCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12 408299 FNUPQTUDITZOJM-UHFFFAOYSA-N 304.298 2.596 0 50 DFAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCN(C)CC1 6698319 SFPQSSSTQGCBGA-KRWDZBQOSA-N 304.434 2.625 0 50 DFAA Cc1csc2ncnc(N3C[C@@H](C)OC4(CCOCC4)C3)c12 413264224 JQNXQCIDKDXCLD-GFCCVEGCSA-N 319.430 2.774 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)NCc1cccc(NC(C)C)c1 225542288 AIWCZDNPNVAKMD-UHFFFAOYSA-N 300.406 2.706 0 50 DFAA CCCCN(C)S(=O)(=O)c1cc(OC)c(Cl)cc1OC 9061940 QGZJDSBZJFWAMG-UHFFFAOYSA-N 321.826 2.778 0 50 DFAA CN(Cc1ccc2c(c1)OCO2)C(=O)c1n[nH]c2ccccc12 9643119 MSTGFFGBSHVOCN-UHFFFAOYSA-N 309.325 2.564 0 50 DFAA Cc1cc(C)nc(-n2[nH]c3nccc(-c4ccccc4)c3c2=O)n1 101173487 FVYZQWCZBGXGMI-UHFFFAOYSA-N 317.352 2.788 0 50 DFAA COc1ncc(CN2Cc3ccccc3OC(C)(C)C2)c(C)n1 344122284 QOLSGBBWSVCJAS-UHFFFAOYSA-N 313.401 2.967 0 50 DFAA CCCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 20582941 XSGDOJPJBWIHGJ-UHFFFAOYSA-N 309.841 2.967 0 50 DFAA Cc1cccc(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)c1C 100561895 WEBHNVWNYDVDCW-MRXNPFEDSA-N 310.353 2.831 0 50 DFAA Cc1ccc(NCCNC(=O)Nc2cccc(Cl)c2C)nn1 67613928 QRJLGMQUPIZWNO-UHFFFAOYSA-N 319.796 2.980 0 50 DFAA Cc1c(C(=O)N2CCOC[C@H]2c2cccn2C)ccn1C(C)C 346783269 YUFSOHRXJVPVKG-KRWDZBQOSA-N 315.417 2.930 0 50 DFAA Cc1ccc(NC(=O)C(=O)Nc2cccnc2)cc1C(F)(F)F 120000043 UDJNWHDEALDXMC-UHFFFAOYSA-N 323.274 2.986 0 50 DFAA C[C@@H](OC[C@@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1 253424841 LPIMSXBLZPSGHJ-NEPJUHHUSA-N 323.355 2.952 0 50 DFAA CC(C)=CC(=O)NC[C@@H]1CCN(C2CCN(CC(C)C)CC2)C1 67846942 QSQZXXRGNKPIFC-KRWDZBQOSA-N 321.509 2.511 0 50 DFAA CCn1cnnc1[C@@H]1CN(Cc2ccc([C@H]3C[C@@H]3C)o2)CCO1 328639855 PRXDVJAIIVMZKY-NOLJZWGESA-N 316.405 2.588 0 50 DFAA Cc1cc2ccccc2n1CC(=O)N1CCC[C@H]1C(C)(C)O 123637064 IWRMIUVOUVYHDC-INIZCTEOSA-N 300.402 2.712 0 50 DFAA CCOC(=O)c1ccccc1NC(=O)c1c(Cl)cnn1CC 2763422 HAZBEVJSVUZICA-UHFFFAOYSA-N 321.764 2.985 0 50 DFAA COc1cccc(C2=CCN(C(=O)[C@]3(C)CCCN=C3O)C2)c1 330303674 KANPDBLEZSYUFS-GOSISDBHSA-N 314.385 2.677 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)C1 257364960 CQSDTKVPPJWKOH-GRYCIOLGSA-N 317.389 2.916 0 50 DFAA Cc1ccc(C[C@H](C)NC(=O)[C@H](N)Cc2ccccc2)c(C)c1 237545186 HTLYJSHPIHHBLT-QFBILLFUSA-N 310.441 2.921 0 50 DFAA CCCc1cc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)no1 77407577 KSMFIXTWNLETNH-ZDUSSCGKSA-N 302.378 2.528 0 50 DFAA O=C(c1ccc(CN2CCCC2)o1)N1CC(c2ccccn2)C1 72161006 ZGLQTBWIDFEHQL-UHFFFAOYSA-N 311.385 2.510 0 50 DFAA C[C@@H](NC1CCN(C(=O)c2ccccc2)CC1)C1CCOCC1 378166261 RCYPWELYTZTNOV-OAHLLOKOSA-N 316.445 2.696 0 50 DFAA Cc1ccc(C)c(C(=O)CCC(=O)N2CCCC[C@@H]2C(=O)O)c1 159768897 YRULCWNCODBRHI-OAHLLOKOSA-N 317.385 2.732 0 50 DFAA C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1cnccn1 72429088 HLUACWXBIXVCAR-ZDUSSCGKSA-N 313.401 2.671 0 50 DFAA O[C@@H]1C[C@H](c2ccc(F)cc2)N(Cc2ncc(C3CC3)o2)C1 340728781 PGYDTOBDPZNLRW-HUUCEWRRSA-N 302.349 2.999 0 50 DFAA 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Cc1cc(CN(C)C(=O)[C@H](c2ccccc2F)N(C)C)ccn1 91551643 JBPMESCHQYXTHK-KRWDZBQOSA-N 315.392 2.790 0 50 DFAA COc1nc(NC(=O)C(c2ccccc2)c2ccccc2)n[nH]1 179364545 KKEYWKPRZAJPOI-UHFFFAOYSA-N 308.341 2.584 0 50 DFAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CCOCC)C1 95502007 WUOZLPIPZATHLH-HNNXBMFYSA-N 307.438 2.816 0 50 DFAA COc1cc(Cl)cc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 293369015 MPLGNWOFBCUHMV-ZDUSSCGKSA-N 305.765 2.879 0 50 DFAA CC(=O)c1cc(CC(=O)N2CC(c3ccccn3)C2)cs1 97547719 XHGDGNNDMPHATC-UHFFFAOYSA-N 300.383 2.514 0 50 DFAA O=C(c1c[nH]nc1C1CC1)N1CCO[C@]2(CCc3ccccc32)C1 184518611 IRRGHYNSNAFEHF-LJQANCHMSA-N 323.396 2.601 0 50 DFAA Cc1ncc(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)s1 184734374 CSKDCOYTQCPDCV-HNNXBMFYSA-N 319.405 2.572 0 50 DFAA O=C(NCC(c1ccccc1)c1ccccc1)N1CC[C@H](CO)C1 265969263 TYTPBFIALBLZNP-INIZCTEOSA-N 324.424 2.842 0 50 DFAA Cc1nnc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)s1 299778774 PVMCIPHHRZNZCL-INIZCTEOSA-N 317.458 2.662 0 50 DFAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCCCc1ccccn1 299771351 WQDSHCKXMUOOAV-LJQANCHMSA-N 323.440 2.577 0 50 DFAA CC(C)C[C@H](NC(=O)c1cccc(-c2cnco2)c1)C(=O)O 585134678 GDYVFWKMCHRUMB-ZDUSSCGKSA-N 302.330 2.571 0 50 DFAA Cc1nc(CN2CCOc3ccc(CO)cc3C2)sc1C 670463544 VXZQAOGGATYLCA-UHFFFAOYSA-N 304.415 2.647 0 50 DFAA CCn1c(Cc2cccnc2)nnc1N1Cc2ccc(O)cc2C1 1875280762 NJRFWWCTQZHSJJ-UHFFFAOYSA-N 321.384 2.510 0 50 DFAA CCn1cccc1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875293326 MGYXGKYMIWCPNB-NWDGAFQWSA-N 316.405 2.526 0 50 DFAA CC1(C)COCC[C@H]1NCCc1nnc(-c2ccccc2)o1 1875285665 VGQLPXFQSGJFJV-CQSZACIVSA-N 301.390 2.684 0 50 DFAA CCN(C[C@H](C)c1nn[nH]n1)C(=O)c1cc2cccc(C)c2o1 1875324251 ODKPFXMMRZOFGT-NSHDSACASA-N 313.361 2.520 0 50 DFAA CC(=O)c1cc(CNCc2noc(-c3cccs3)n2)n(C)c1 952873128 UTYMGIJJKYUEJI-UHFFFAOYSA-N 316.386 2.629 0 50 DFAA COc1cc(NC(=O)N[C@@H]2CCCc3c(F)cccc32)n(C)n1 881242228 VBEPAOSDCVMIQC-CYBMUJFWSA-N 318.352 2.767 0 50 DFAA Cc1[nH]ccc1C(=O)N[C@@H](CO)c1ccccc1C(F)(F)F 886562469 APTADNRTTJBXCT-ZDUSSCGKSA-N 312.291 2.805 0 50 DFAA 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COC(=O)c1sccc1NC(=O)c1ccc(OC)c(OC)c1 4903719 QTWJTFHZPUIXOE-UHFFFAOYSA-N 321.354 2.804 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(F)cc1F 246199287 IYSJHNVOGHKEPD-UGFHNGPFSA-N 323.339 2.752 0 50 DFAA c1ccc(NCCCNc2nnc(-c3ccon3)s2)nc1 225492412 ADUYSISUUWKJGT-UHFFFAOYSA-N 302.363 2.502 0 50 DFAA C[C@H]1CN(C(=O)Nc2nccs2)CCN1Cc1ccccc1 414408166 MDRUWOOGRORNCE-ZDUSSCGKSA-N 316.430 2.881 0 50 DFAA CC[C@]1(CO)CCCN(c2nc(C)c3ccc(OC)cc3n2)C1 67774920 JPEHUUNIWJDJFR-SFHVURJKSA-N 315.417 2.936 0 50 DFAA CC[C@H](CO)N(Cc1ccsc1)C(=O)c1cccnc1OC 55074699 LSFFWBSLRJMMSD-CYBMUJFWSA-N 320.414 2.565 0 50 DFAA Nc1cc(-c2cccc(-c3cc[nH]n3)c2)nc(N2CCCC2)n1 20864627 XDHMZSCPUGYZOA-UHFFFAOYSA-N 306.373 2.716 0 50 DFAA CN(Cc1cnc(-c2ccccc2)s1)C[C@@H]1COCCO1 215680688 BJRHDOHIWYNJAG-CQSZACIVSA-N 304.415 2.657 0 50 DFAA COc1ccc(-c2nc(CN3CCNCC3)c(C)o2)c(C)c1C 67514628 ZIGIYSLGASRLPZ-UHFFFAOYSA-N 315.417 2.681 0 50 DFAA CCN(CC)CCNC(=O)c1cc(Cl)nc2ccccc12 21981699 WZBLJANCSMJDSS-UHFFFAOYSA-N 305.809 2.960 0 50 DFAA in-vitro COc1cccc(SCC(=O)NCCc2cccnc2)c1 69619549 NNAURNRVGPAKHM-UHFFFAOYSA-N 302.399 2.541 0 50 DFAA O=C(CC1(Cn2cccc2)CCCCC1)NCCn1ccnc1 409413326 HRZQSZFGXFVOCV-UHFFFAOYSA-N 314.433 2.842 0 50 DFAA Cc1cc(CN(C)C(=O)c2cc(C)n([C@H](C)C3CC3)n2)no1 329498028 VFAQACBSMOEDRL-GFCCVEGCSA-N 302.378 2.731 0 50 DFAA O=C(NC[C@H]1CCOCO1)c1cc2c(ccc3ccccc32)[nH]1 154472633 XTYGOMLFLDACPF-CYBMUJFWSA-N 310.353 2.814 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(CCO[C@@H]2CCCC[C@@H]2C)C1 328618361 DRFDRFLAYGEJMB-LCGIIJARSA-N 323.437 2.735 0 50 DFAA COCC1(C(=O)N(C)Cc2cccc(-n3cccn3)c2)CCC1 77407431 WNBJBRGSQHVMCR-UHFFFAOYSA-N 313.401 2.647 0 50 DFAA CCCCc1nc2sc3c(=O)n(N)cnc3c2c2c1CCC2 38154894 ZVFYNPLSSNVBJM-UHFFFAOYSA-N 314.414 2.551 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 261710057 DIZMTNPHKWXHNO-ZACQAIPSSA-N 309.365 2.876 0 50 DFAA Cc1cnn(CCC(=O)Nc2ccc3oc(C(=O)O)cc3c2)c1 439993363 LRCNIPLRENKMND-UHFFFAOYSA-N 313.313 2.665 0 50 DFAA CC(=O)N[C@H](CC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 378031579 LBDULEODHONXEJ-YESZJQIVSA-N 300.402 2.797 0 50 DFAA Cc1cc(C2CCC2)nc(N(C)CCN2CCCCC2=O)n1 71747022 BXRZQGSDQPRYOQ-UHFFFAOYSA-N 302.422 2.501 0 50 DFAA C1CCC(c2nc(=N[C@H]3CCOC4(CCOCC4)C3)s[nH]2)C1 333739593 XJJJEPYGYHXREX-ZDUSSCGKSA-N 323.462 2.758 0 50 DFAA CCc1nc(C)sc1C(=O)NCc1ccc2nsnc2c1 215290203 NGHBZCJISNQKAZ-UHFFFAOYSA-N 318.427 2.949 0 50 DFAA Cc1ccccc1Cc1cnc(NC(=O)[C@H]2CCNC2)s1 241470629 NWRMRAKKRIXTJE-ZDUSSCGKSA-N 301.415 2.590 0 50 DFAA Cc1c(C(=O)NCc2ccc(C(=O)O)s2)cnn1C(C)(C)C 263220648 OXUIMEPEFNJRFX-UHFFFAOYSA-N 321.402 2.636 0 50 DFAA COCCC[C@@H]1CCCN(C(=O)Cc2cccc(OC)c2)C1 85533047 XGLQOSHMJVEJMD-HNNXBMFYSA-N 305.418 2.903 0 50 DFAA CCCC(=O)N1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1 40456087 HYKVDMMPRRCJJC-UHFFFAOYSA-N 324.450 2.639 0 50 DFAA CCC(CC)n1nc(C(=O)N2CC3(CCOCC3)C2)cc1C 613345125 HJVKIQIODVGEIU-UHFFFAOYSA-N 305.422 2.805 0 50 DFAA Cc1cccc([C@@H](C(=O)NC2(CO)CCCCCC2)N(C)C)c1 95379179 RPOJOBPPDHBPJZ-KRWDZBQOSA-N 318.461 2.799 0 50 DFAA CN(CCc1ccccn1)C(=O)c1cccc(-c2cn[nH]c2)c1 97657311 RAAOGPYFNQZKFJ-UHFFFAOYSA-N 306.369 2.786 0 50 DFAA CSCCc1nc(C[C@H](C)c2ccccc2)n(CCO)n1 96164902 IWVRWWOKFUFUPN-ZDUSSCGKSA-N 305.447 2.522 0 50 DFAA CC(C)c1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)n[nH]1 252527986 DXDDIIJUSNVDGC-BBRMVZONSA-N 304.438 2.527 0 50 DFAA COc1ccc(Cn2cc(-c3nccc(N)c3OC)cn2)cc1 534673630 SLFZBJJMQFSGIO-UHFFFAOYSA-N 310.357 2.593 0 50 DFAA c1ccc([C@@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)cc1 185206189 GBECIEYXJKXESW-QGZVFWFLSA-N 322.416 2.607 0 50 DFAA CCN1CCC[C@@H](CN(C)C(=O)c2ccc(C)n2C(F)F)C1 299770910 SKKVYTQFCRUWFV-ZDUSSCGKSA-N 313.392 2.996 0 50 DFAA Cc1ccsc1C(=O)Nc1ccccc1NC(=O)CN(C)C 823678072 AACBKXYKADIPKD-UHFFFAOYSA-N 317.414 2.809 0 50 DFAA CC(C)(C)C[C@@H](NS(=O)(=O)c1cccnc1)c1cccnc1 821003998 KPIQGOKTOODZHQ-OAHLLOKOSA-N 319.430 2.932 0 50 DFAA CCc1ccc2ncn(CC3(Cn4ccnc4C)CC3)c(=O)c2c1 584894434 UNNDANOZGUPLJD-UHFFFAOYSA-N 322.412 2.944 0 50 DFAA COC(=O)c1c(Cl)ccc(NC(=O)N2CCCC2)c1F 1875297561 WRCFOGNAFQGSNC-UHFFFAOYSA-N 300.717 2.893 0 50 DFAA COCc1cc(C(=O)N2CC3(CCSCC3)[C@@H]2C(C)C)n[nH]1 1875314250 OSGGYAGERDGPHL-AWEZNQCLSA-N 323.462 2.550 0 50 DFAA Cc1cc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)ccn1 886564630 BDHSRBKRHCFTNI-CQSZACIVSA-N 324.302 2.872 0 50 DFAA CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2cnc(C3CC3)s2)C1 1775959291 SZQPJLKDEFPMCS-WCQYABFASA-N 320.418 2.674 0 50 DFAA CCc1nncn1CCNC(=O)/C=C(\C)c1cccc(Cl)c1 221834058 SZNRDQXCLYGEAF-FMIVXFBMSA-N 318.808 2.714 0 50 DFAA COc1cccc2cc(C(=O)N3CC[C@H](n4cccn4)C3)oc12 585636825 LHPVJRBNXHZEDN-ZDUSSCGKSA-N 311.341 2.725 0 50 DFAA O=C(NC[C@H]1Cc2ccccc21)c1c[nH]nc1-c1ccncc1 170646038 JCMYXUGREAMEPM-CQSZACIVSA-N 304.353 2.541 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc([S@](C)=O)cc1 170621299 NQBOFHVMVPFCOG-DHZVRSILSA-N 323.458 2.749 0 50 DFAA C[C@@H](Sc1ncc(CO)n1C)c1noc(-c2ccccc2)n1 170615492 RTHRTRDZOGYNPA-SNVBAGLBSA-N 316.386 2.816 0 50 DFAA Cc1ncccc1CN(C)[C@H]1CCN(Cc2ccccc2)C1=O 188080939 NMGAXYDRNATFDG-SFHVURJKSA-N 309.413 2.623 0 50 DFAA CC1(C(=O)O)CCN(C(=O)c2cccc(N3CCCC3)c2)CC1 659782604 YENVJOYFTNXEFG-UHFFFAOYSA-N 316.401 2.614 0 50 DFAA Cc1cc(N2CC[C@@H](c3ncc[nH]3)C2)nc(-c2ccccn2)n1 585093025 YPXZZQTWKFNQGP-CYBMUJFWSA-N 306.373 2.564 0 50 DFAA COc1ccc(-c2nccnc2NC(=O)COC(C)C)cc1 585124787 RTQOPQDOGSXSAP-UHFFFAOYSA-N 301.346 2.516 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cnn2c1NCCC2 1506403859 UQPHRAXLWFOXCL-UHFFFAOYSA-N 323.356 2.914 0 50 DFAA O=C(NCc1[nH]nc2ncccc12)c1c(F)cccc1Cl 1775978793 INMDSCUHWBGRDK-UHFFFAOYSA-N 304.712 2.680 0 50 DFAA C[C@H]1Cc2cc(-n3ccnc3-c3cnn4cccnc34)ccc2O1 1772808061 XZFATQFPBSUEMJ-LBPRGKRZSA-N 317.352 2.905 0 50 DFAA COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@]3(C)C2)c2c1CCCC2 1772812726 PNHMQZDSRWUNAC-PXAZEXFGSA-N 321.442 2.605 0 50 DFAA CS(=O)(=O)c1nccn1Cc1cccc(Cl)c1Cl 390835208 GPYQXFPGUAOZEO-UHFFFAOYSA-N 305.186 2.642 0 50 DFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1Cl 11990934 PWVLADUPQKFMHW-QMMMGPOBSA-N 322.213 2.757 0 50 DFAA COc1ccc2[nH]c(=O)c(CN(C(C)=O)C(C)(C)C)cc2c1 5189783 HVKWSDOYPAPRKL-UHFFFAOYSA-N 302.374 2.684 0 50 DFAA Cn1c(SCc2cn3ccccc3n2)nnc1-c1cccnc1 6700490 NLJZZXLJGKJUGW-UHFFFAOYSA-N 322.397 2.817 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@H]1C[C@H]2C=C[C@@H]1CC2)c1ccc(F)cc1 1857532012 YCQQQSFJRRINKA-SHUKQUCYSA-N 317.360 2.712 0 50 DFAA COc1cccc(N2CCN([C@H]3CCC(C)(C)C3)CC2=O)c1 1857676546 QACUMHQTRPTABR-HNNXBMFYSA-N 302.418 2.923 0 50 DFAA Cc1ccc(C)c(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)c1 1857704596 YVQLEBCQXIUVMO-QGZVFWFLSA-N 318.461 2.873 0 50 DFAA C[C@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 619563 KRQWDBCVJIAFQI-STQMWFEESA-N 311.447 2.782 0 50 DFAA CC[C@H](C)c1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)on1 236903130 HBNAIZSXADYODD-NWDGAFQWSA-N 308.378 2.905 0 50 DFAA Cc1cccc(CC(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)c1 649252989 MNJVXICCVKWNTO-HXUWFJFHSA-N 323.392 2.792 0 50 DFAA CCOC1CC(N[C@@H](c2nccn2CC)C2CCOCC2)C1 344512316 INUAFCAOWJHRNM-UYSNPLJNSA-N 307.438 2.528 0 50 DFAA CN(C)c1ccccc1CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 248533142 IIAHEIPLPSLTMJ-XYPHTWIQSA-N 302.418 2.970 0 50 DFAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@@H](c3ccccc3)C2)c(C)o1 262856226 IGYKSBXTTMTCPC-HZPDHXFCSA-N 313.353 2.837 0 50 DFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1cnc2cc[nH]c2c1 2325768148 UTLHRXMLFUPTAO-SFHVURJKSA-N 322.412 2.938 0 50 DFAA C[C@H](NC(=O)c1cccc2c1OCCNC2)[C@@]12CCCC[C@@H]1C2 2325768749 ILABAFZICOLCGQ-OHNRDTAOSA-N 314.429 2.867 0 50 DFAA CN[C@H](C)Cc1noc(-c2cc(-c3cccc(OC)c3)on2)n1 2325787283 POVMBKVYSNMVQZ-SNVBAGLBSA-N 314.345 2.551 0 50 DFAA O=C(c1ccc2cncn2c1)N1CCCC[C@@H]1C1CCOCC1 2325810690 YBCHMKZBSXCTDO-QGZVFWFLSA-N 313.401 2.756 0 50 DFAA CN(Cc1cc2ccccc2[nH]1)C(=O)Cc1cnc(C2CC2)[nH]1 2325816594 FTVFKNYPWKMBGU-UHFFFAOYSA-N 308.385 2.970 0 50 DFAA O=c1cnc2c(F)cccc2n1Cc1ccc2nccnc2c1 2325854656 OJWRRGXZKBVLNS-UHFFFAOYSA-N 306.300 2.527 0 50 DFAA O=C(NC1CC(F)C1)c1cnn2c(-c3ccccc3)ccnc12 2325873258 AIDXUOWOUXNBJG-UHFFFAOYSA-N 310.332 2.627 0 50 DFAA COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 29592 AXNPNGVJYDDTCZ-UHFFFAOYSA-N 303.383 2.837 0 50 DFAA CC(=O)N(C)c1ccc(NC(=O)COc2ccccc2C)cc1 38864 LGCOPMGWMYPUTR-UHFFFAOYSA-N 312.369 2.995 0 50 DFAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)O)cc1 311471 DDJRLONWYFYDSO-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 528062 XBHMSJQWHGNVKW-UHFFFAOYSA-N 324.427 2.687 0 50 DFAA COc1cccc(CN2CCC[C@]23CCCN(C2CC2)C3=O)c1 2356168830 PDCSQGHMSSXBFP-LJQANCHMSA-N 314.429 2.815 0 50 DFAA Cc1cc(C)cc(NC(=O)C2CCN(c3cnccn3)CC2)c1 4965291 QAPLVIGWOYYAQK-UHFFFAOYSA-N 310.401 2.949 0 50 DFAA CCOc1ccccc1OCCN(C)C(=O)c1c(C)n[nH]c1C 55342528 NWMJOYHDADNZOB-UHFFFAOYSA-N 317.389 2.576 0 50 DFAA CCCCOc1c(CN[C@H](C)c2nc(O)n[nH]2)cccc1OC 55132640 CMMGVTLZVUPNCV-LLVKDONJSA-N 320.393 2.549 0 50 DFAA Cc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 10544024 OHEKQWQDALYFDT-IYBDPMFKSA-N 324.490 2.641 0 50 DFAA C[C@H](Cc1cnccn1)NC(=O)CCc1c[nH]c2ccccc12 67725627 RHFZPLPACWZPFX-CYBMUJFWSA-N 308.385 2.638 0 50 DFAA Clc1cc(Br)ccc1OCCN1CCOCC1 20118511 BKLSJDMWTKQUKQ-UHFFFAOYSA-N 320.614 2.814 0 50 DFAA C[C@H](Sc1ncnc2[nH]cnc12)C(=O)c1cc(F)ccc1F 118179216 JDDMSJJRJGUSBW-ZETCQYMHSA-N 320.324 2.995 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@H](N[C@H]2C[C@H]3CC[C@H]2O3)CC1 249628405 RGSZPHPEKDDDHV-APIJFGDWSA-N 310.438 2.686 0 50 DFAA CO[C@@H]1CCN2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2C1 348663985 NIHROUZOPANEOB-CJNGLKHVSA-N 310.353 2.786 0 50 DFAA Cn1c(=O)n(C)c2cc([C@@H](O)c3cc4ccccc4o3)ccc21 20428163 NZMDHIGIQCEMTQ-QGZVFWFLSA-N 308.337 2.705 0 50 DFAA CCc1nocc1CN(C)C(=O)c1cccc2ccc(O)nc12 358418074 ZRKYUAAUAQBTDA-UHFFFAOYSA-N 311.341 2.763 0 50 DFAA O=C(O)C[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccccc1 405064724 RKRYBZGFOOYCCD-LBPRGKRZSA-N 312.316 2.643 0 50 DFAA COC(=O)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 1400084 TVMLTZNVQGOQTM-UHFFFAOYSA-N 312.152 2.990 0 50 DFAA C[C@H](NC(=O)C1(C(=O)O)CC1)c1ccc(OC(F)(F)F)cc1 154789854 YNLKIAHYXKEYST-QMMMGPOBSA-N 317.263 2.627 0 50 DFAA Cc1ncsc1CCN(C)C(=O)c1coc2c1C(=O)CCC2 72440331 VALOMOOTUKEURH-UHFFFAOYSA-N 318.398 2.878 0 50 DFAA Cc1ncc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)n1C 215393414 XYXVSGJTFAQYJU-GFCCVEGCSA-N 301.390 2.693 0 50 DFAA COc1ccc(OC)c(CN(C)Cc2nncn2C(C)C)c1 77538205 KFJGBJIDZAOSIZ-UHFFFAOYSA-N 304.394 2.508 0 50 DFAA O=C1CCC[C@@H](CC(=O)NC2(c3ccccc3)CCCC2)N1 377259828 AZLNKFBYADORPM-HNNXBMFYSA-N 300.402 2.631 0 50 DFAA O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 72369578 DNFVZKHBOPUNKK-OAHLLOKOSA-N 307.357 2.720 0 50 DFAA COc1cc(OC)c(NC(=O)c2snnc2C)cc1Cl 32092232 ITMJGOYWUAQALW-UHFFFAOYSA-N 313.766 2.769 0 50 DFAA COCCOC(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 72167470 NHPOQGBQLFPPMQ-HNNXBMFYSA-N 307.390 2.962 0 50 DFAA CCCn1ncc(CN[C@@H]2COc3c(cccc3OC)C2)c1C 39518863 ZRGBRTIYRHCQEJ-INIZCTEOSA-N 315.417 2.703 0 50 DFAA CCc1nccn1[C@H]1CCCN(C(=O)NC[C@@H]2CCSC2)C1 333223090 SHMOZLBRMSPEBF-KBPBESRZSA-N 322.478 2.545 0 50 DFAA Cc1cnc(CNC(=O)[C@]2(c3ccccc3F)CC2(C)C)cn1 215373811 UTNLIHJCQAIENY-GOSISDBHSA-N 313.376 2.908 0 50 DFAA Cn1c(C(=O)NCCCNc2cccnc2)cc2ccccc21 222623566 JKZYSQCSNWUBLP-UHFFFAOYSA-N 308.385 2.805 0 50 DFAA 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1772700539 CJYVLZULCMVXIS-AWEZNQCLSA-N 301.390 2.674 0 50 DFAA COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C 5126815 VYDSWDOEZIUOTB-UHFFFAOYSA-N 321.354 2.503 0 50 DFAA O=C(NCc1cccnc1Oc1ccccc1)C1CCOCC1 12303327 UOPDPXOKNOOUPQ-UHFFFAOYSA-N 312.369 2.917 0 50 DFAA O=C(CSc1nnc(-c2cc3ccccc3o2)o1)NC1CC1 16625184 SYQRFSNDRAYUOQ-UHFFFAOYSA-N 315.354 2.854 0 50 DFAA Cn1c(C(=O)N=c2[nH][nH]c3c(F)cccc23)cc2ccccc21 1875241895 GRLMBAYWTIWJDX-UHFFFAOYSA-N 308.316 2.868 0 50 DFAA C[C@H](O)C[C@@H]1COCCN1c1ncc(C(F)(F)F)cc1Cl 129968767 HOPHQFLKQIQGIA-WCBMZHEXSA-N 324.730 2.730 0 50 DFAA Cc1ccc2nc(CN3CC[C@H]4CC[C@@H](C3)N4C)cc(O)c2c1 248014803 FSAJJUZXKDRVJY-CVEARBPZSA-N 311.429 2.917 0 50 DFAA C[C@@H](NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 363307397 RVEIUUUBFNSMOQ-HUUCEWRRSA-N 312.417 2.755 0 50 DFAA O=C(O)[C@H]1CC12CCN(C(=O)CCc1ccccc1Cl)CC2 364893710 RZRZPDHETIWQHO-CYBMUJFWSA-N 321.804 2.986 0 50 DFAA CCNC(=O)c1ccc(NC2CCN(C3CCCC3)CC2)nc1 267205239 PJROKKSIRZXNEI-UHFFFAOYSA-N 316.449 2.650 0 50 DFAA c1ccc([C@H](Nc2ccc(N3CCOCC3)cn2)C2CC2)nc1 903132943 CGMAIXHGGFXLCD-GOSISDBHSA-N 310.401 2.876 0 50 DFAA Cc1nn(C)c(Cl)c1C(=O)N1CCOc2ccccc2[C@H]1C 857683100 XUPHAJPWTRXUBL-LLVKDONJSA-N 319.792 2.978 0 50 DFAA CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H](C)CO 1775987336 FQBKKIYXIREJTM-KKUMJFAQSA-N 314.470 2.629 0 50 DFAA CN(Cc1cc2ccccc2o1)c1ccnc(N[C@H]2CCNC2)n1 2325798015 HDTFFITZUPWOOB-AWEZNQCLSA-N 323.400 2.633 0 50 DFAA C[C@@H](NC(=O)c1ccc(-c2ccncc2)cc1)c1cn(C)cn1 2325856631 XKFSJMTUOSSWRJ-CYBMUJFWSA-N 306.369 2.973 0 50 DFAA Cc1nccc(CN2C=Nc3ccccc3S2(=O)=O)c1Cl 2325869339 JQCJKGDLCWXKFK-UHFFFAOYSA-N 321.789 2.908 0 50 DFAA CCC1=C(C(=O)N2CCO[C@H](C(F)(F)F)CC2)CCCO1 874546058 ZGDHFJGXLNLQNV-LBPRGKRZSA-N 307.312 2.641 0 50 DFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Cl 106366 PLHHDSZTZXIBKN-UHFFFAOYSA-N 313.744 2.689 0 50 DFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 178620 ZZCXGECROSILSQ-UHFFFAOYSA-N 316.426 2.506 0 50 DFAA CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 185976 MUNBUKDEKFBKQD-UHFFFAOYSA-N 308.337 2.871 0 50 DFAA O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCNCC1(F)F 342750946 MXYHFUPXYHSTKD-GFCCVEGCSA-N 307.300 2.525 0 50 DFAA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)C 2472151 SZJIMHZUBUEXLT-HNNXBMFYSA-N 316.401 2.804 0 50 DFAA CCOC(=O)[C@@](O)(c1ccc(N(CC)CC)cc1)C(F)(F)F 2950636 KBVKXULQMLSHLM-AWEZNQCLSA-N 319.323 2.846 0 50 DFAA CN(C)C(=O)Oc1ccc2ccc(OC(=O)N(C)C)cc2c1 4279583 RKIKSLMSLGGDJL-UHFFFAOYSA-N 302.330 2.961 0 50 DFAA Cc1ccc(-c2noc(CNC(=O)COc3ccccc3)n2)cc1 4868382 PUOOCLTTWWPYSM-UHFFFAOYSA-N 323.352 2.740 0 50 DFAA O=C([C@H]1CCc2cccnc21)N1CCOC2(CCCCC2)C1 343128562 AJWRIKRGLHBJPP-HNNXBMFYSA-N 300.402 2.673 0 50 DFAA Cc1cnn([C@@H]2CCCN(Cc3cc4ccccc4[nH]c3=O)C2)c1 111229528 XVPXCVFXJVVHAO-QGZVFWFLSA-N 322.412 2.870 0 50 DFAA Cc1nc(S)sc1CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 113887663 GZQUYBYNXUEPOP-LLVKDONJSA-N 322.459 2.760 0 50 DFAA O=C(O)CCCN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 116400391 NJKSXHQVWMCOGO-MRXNPFEDSA-N 311.809 2.950 0 50 DFAA CNc1nc(C)c(C(=O)N(C)[C@@H](C)Cc2ncccc2C)s1 67641975 LYBKAHBMWGBNAN-NSHDSACASA-N 318.446 2.900 0 50 DFAA O=C(NCc1ccccc1-n1cncn1)C1(c2ccccc2)CC1 219733999 OKOIVRXTBKXAOZ-UHFFFAOYSA-N 318.380 2.615 0 50 DFAA CCc1nc(NCCCCc2ccccn2)c2cnn(C)c2n1 72167107 WLINQWZBTKEHBX-UHFFFAOYSA-N 310.405 2.756 0 50 DFAA Cn1c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc2ccccc21 119815267 JGMGAHDUJPOZBY-HNAYVOBHSA-N 312.413 2.946 0 50 DFAA biogenic CC(C)COc1ccccc1CN(C)C(=O)CC1=CCNCC1 65456323 NDHFMVZALCYZRA-UHFFFAOYSA-N 316.445 2.990 0 50 DFAA Cc1cc(C2CCC2)nc(NCC(C)(C)N2CCOCC2)n1 71747189 YLIANSHGEKLUHQ-UHFFFAOYSA-N 304.438 2.575 0 50 DFAA O=C(CCCc1ccc(Cl)cc1)NC[C@H](O)c1ccccn1 77440185 DXIWMVVANWJLNL-INIZCTEOSA-N 318.804 2.908 0 50 DFAA CC1(c2ccccc2)CCN(C(=O)CCc2ncccn2)CC1 360359875 BGJWLENYMJBBLI-UHFFFAOYSA-N 309.413 2.990 0 50 DFAA CC(=O)N1CCN(Cc2ncc(C(F)(F)F)s2)C(C)(C)C1 434983485 RRDPYUOIATYIMB-UHFFFAOYSA-N 321.368 2.605 0 50 DFAA COc1ccc(CN2CCC[C@H]2CC(=O)c2cccs2)nn1 283096845 LMVOMYGAXGVDTD-ZDUSSCGKSA-N 317.414 2.784 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@@H]([C@H](C)N)C1 237114756 KKXSZCSXNKXIOF-DVINNUGASA-N 316.445 2.770 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[C@@H]1C(=O)O 262564951 WKNQBCRECLATLM-WYUUTHIRSA-N 321.339 2.924 0 50 DFAA COc1ncccc1-n1ccnc1-c1cnc(-c2ccco2)nc1 72143200 ULWAVPVSLOXGIF-UHFFFAOYSA-N 319.324 2.993 0 50 DFAA CN1CCOC[C@H](CNC(=O)Nc2cccc3ccccc23)C1 72143254 PDTUECNQBXHSED-CQSZACIVSA-N 313.401 2.540 0 50 DFAA Cc1nc(NCc2nc3ccccc3n2C)cc(C2CC(O)C2)n1 220189072 SJSGTEONKHJYLS-UHFFFAOYSA-N 323.400 2.522 0 50 DFAA O=C(NCCc1nccs1)C1CCN(C2CCCCC2)CC1 95368592 NMWVIJYXQOAKHK-UHFFFAOYSA-N 321.490 2.847 0 50 DFAA CC[C@@]1(C(=O)O)CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 91998170 ODMUYUWWZIYZSJ-QGZVFWFLSA-N 321.373 2.501 0 50 DFAA COc1cccc2c1OC[C@H](C(=O)NCC1=CCCCC1)C2 95360646 VRQRPOZMUBBRCC-OAHLLOKOSA-N 301.386 2.863 0 50 DFAA C[C@H]1CN(C2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)C[C@@H](C)O1 238997259 ACUAONISRNKJAD-FLXSYLCISA-N 304.478 2.772 0 50 DFAA CCC[C@@](C)(NC(=O)c1cnn(-c2ccccc2C)c1)C(=O)O 236983190 PKJRYLJDTVXWPF-QGZVFWFLSA-N 315.373 2.554 0 50 DFAA COc1ccc(Cn2cc(C(=O)N(C3CC3)C3CC3)cn2)cc1 628815483 JFONNPXJXJXCIO-UHFFFAOYSA-N 311.385 2.707 0 50 DFAA CCn1cc(NC(=O)N2CCC[C@H]2c2cccc(OC)c2)nn1 299799988 YKDDWQCYTINEHB-AWEZNQCLSA-N 315.377 2.676 0 50 DFAA C[C@@H](CCn1cccn1)NCc1nncn1C1CCCCC1 821182066 RDFXEAGVYSEOMA-AWEZNQCLSA-N 302.426 2.548 0 50 DFAA CCCn1ncnc1[C@@H](C)n1cnc2ccc(CC)cc2c1=O 584897505 CIDYDMXODQUHSQ-GFCCVEGCSA-N 311.389 2.570 0 50 DFAA C=CC(=O)N(C)CC(=O)NC1(c2cccc(F)c2)CCCCC1 1875298276 VPCFGTZYNOJJFU-UHFFFAOYSA-N 318.392 2.746 0 50 DFAA CCNc1cccc(C(=O)N[C@H](CO)c2cccc(OC)c2)c1 1875314067 FZUMMLWQXABZPB-QGZVFWFLSA-N 314.385 2.590 0 50 DFAA C[C@@H](Cc1ncnn1Cc1cccc(Cl)c1)n1cccn1 885939248 ZJHCUKUKXMCAMO-LBPRGKRZSA-N 301.781 2.980 0 50 DFAA Cc1nonc1CC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 887579498 TZYMFBXKKHCXBD-OAHLLOKOSA-N 313.401 2.963 0 50 DFAA COCc1csc(NC(=O)NCc2cccc3c2OCC3)n1 1774356751 SWQHZYCUTWUCSM-UHFFFAOYSA-N 319.386 2.546 0 50 DFAA CO[C@H]1CCOC[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12 1565529226 ZGXNQNJOYXCQRI-GJZGRUSLSA-N 317.385 2.512 0 50 DFAA Cc1ccc(S(=O)(=O)NC(=O)C2CC3(CCC3)C2)cc1C 408498141 KONZKFHHTCSKDG-UHFFFAOYSA-N 307.415 2.689 0 50 DFAA O=C(NC[C@H]1CCSC1)[C@H]1CCCN(Cc2ccccc2)C1 279085233 ARTMULWSPFVGRT-SJORKVTESA-N 318.486 2.768 0 50 DFAA O=C1CCCc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc21 170619039 IGUCTMMNNOSMBX-LZDSYCOUSA-N 307.349 2.517 0 50 DFAA C[C@H](Cc1ccccc1Br)NC(=O)NCCF 280864162 CTJZVOOEOUWYBK-SECBINFHSA-N 303.175 2.649 0 50 DFAA Cc1ccc2cc(C(=O)N3CCC[C@H](n4ccnn4)CC3)[nH]c2c1 636192941 YSTPVGDYRZFYQC-HNNXBMFYSA-N 323.400 2.935 0 50 DFAA CCCCCOCC(=O)NCCc1cn2c(C)cccc2n1 585089703 PYNHUGALPSYXLY-UHFFFAOYSA-N 303.406 2.508 0 50 DFAA Cn1ccc2cccc(NC(=O)N[C@H]3c4ccccc4C[C@@H]3O)c21 190092487 YQONQLMAADQRGK-IRXDYDNUSA-N 321.380 2.958 0 50 DFAA Cc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc(O)n1 190208607 ZLCRFKONYUKKDS-YOEHRIQHSA-N 312.369 2.603 0 50 DFAA CC[C@H](C(=O)Nc1cnccc1CO)c1ccc(OC)cc1 192566304 CEJYOAYQZQESPY-HNNXBMFYSA-N 300.358 2.715 0 50 DFAA CCOC(=O)c1cccc(NC(=O)Nc2cnn(CC)c2)c1 194296903 SKEVNLUNYVDHBL-UHFFFAOYSA-N 302.334 2.724 0 50 DFAA C[C@@H]1CC(NC(=O)N2CCC(c3ccon3)CC2)C[C@@H](C)O1 660971100 JNLPKBVRRDUSFO-VXGBXAGGSA-N 307.394 2.520 0 50 DFAA O[C@H]1CCc2cnn(Cc3cc(F)ccc3OC(F)F)c2C1 664008081 YAEUJYRSKWRBRB-LBPRGKRZSA-N 312.291 2.522 0 50 DFAA Cc1cc(Br)cc(C(=O)N2CCC[C@@]2(C)CO)c1 135867120 RZQWLAMQGKYBJM-AWEZNQCLSA-N 312.207 2.745 0 50 DFAA Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3cccnc3)CC2)cc1 1506403932 XJTRZFHRGRDILK-MRXNPFEDSA-N 324.428 2.539 0 50 DFAA CCC[C@]1(C(=O)O)CCN(Cc2cc(F)ccc2C)C[C@@H]1O 1704305701 NDGKZVYKKUVRHO-RDJZCZTQSA-N 309.381 2.572 0 50 DFAA CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 5008663 BPMPPHQSGYQWRY-OAHLLOKOSA-N 318.373 2.666 0 50 DFAA Cc1ccc(-c2ccc(OCC(=O)Nc3nnc[nH]3)cc2)cc1 5730557 LLQHVGHDSZJXSE-UHFFFAOYSA-N 308.341 2.798 0 50 DFAA C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 5764492 PIXFHVWJOVNKQK-PTXZMSDUSA-N 306.446 2.930 0 50 DFAA endogenous,in-man Cc1ccc(CN2CCC(CN(C)Cc3nccn3C)CC2)o1 12300879 HPOOGCYSZPLBJT-UHFFFAOYSA-N 316.449 2.666 0 50 DFAA O=C1C[C@@H](NCc2ccccc2F)CN1CCc1ccccc1 12590008 VOFYJVXDNNCZSH-QGZVFWFLSA-N 312.388 2.759 0 50 DFAA OC[C@]12COCC[C@H]1CN(Cc1ccc(C(F)(F)F)cc1)C2 1857669702 ZPYNTRCLYICQKB-LSDHHAIUSA-N 315.335 2.536 0 50 DFAA O=C(c1cscn1)N1CCNC[C@H]1c1cccc(Cl)c1 261632622 DAFVGXCAPYKBEO-ZDUSSCGKSA-N 307.806 2.583 0 50 DFAA CC[C@@H]1CN(C(=O)c2occ(C)c2C)CCN1CC(F)F 585082030 RXCYMOSKUDMBCW-GFCCVEGCSA-N 300.349 2.698 0 50 DFAA Cn1nccc1CNC1CCN(Cc2ccc(Cl)cc2)CC1 263879370 AIQUUCGUGIRXFC-UHFFFAOYSA-N 318.852 2.828 0 50 DFAA CCc1noc(COCC(=O)N2CCC=Cc3ccccc32)n1 935574174 RFZTZYHPAMJECV-UHFFFAOYSA-N 313.357 2.599 0 50 DFAA CC1(C(=O)O)CCN(C(=O)CC[C@H]2CC2(Cl)Cl)CC1 851702376 DBYONBNDFYLKDL-VIFPVBQESA-N 308.205 2.674 0 50 DFAA Cc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1N 11693029 FPCCBWSOEVXRCL-UHFFFAOYSA-N 311.320 2.549 0 50 DFAA C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H](C)O1 74749 OTHGJGNDSZEBJC-IUCAKERBSA-N 324.229 2.791 0 50 DFAA COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O 2527066 QHFHNJLLHDVVPW-CYBMUJFWSA-N 307.346 2.614 0 50 DFAA CCN(CC)CCOc1ccc(Br)cc1C(=O)O 2529368 SDFFHRRDGSPLCX-UHFFFAOYSA-N 316.195 2.868 0 50 DFAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2ccccc2F)CC[C@H]1O 2356143407 GLABWSYNOCPLGE-SJLPKXTDSA-N 323.408 2.900 0 50 DFAA Cc1ccccc1-c1noc(CNC(=O)COc2ccccc2)n1 6701957 JPZVKGVWEQCDFX-UHFFFAOYSA-N 323.352 2.740 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@@H](C)c2cc(C)ccc2C)CC1 6741043 OTBOCJCHDBTADU-AWEZNQCLSA-N 302.418 2.739 0 50 DFAA O=S(=O)(Nc1ccc(F)cc1)c1ccc(-n2cccn2)cc1 6939316 IFUNDKFDJXAIQM-UHFFFAOYSA-N 317.345 2.812 0 50 DFAA Cc1nc2ccccc2n1CCN[C@@H](C)c1cc2n(n1)CCC2 414071321 TYPBWABZKGMLIC-ZDUSSCGKSA-N 309.417 2.838 0 50 DFAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C 248023277 JYSYMQNXAGAPHV-UHOFOFEASA-N 313.401 2.662 0 50 DFAA COC(=O)CN1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 71752685 DHQWEHAPMBSERC-QGZVFWFLSA-N 322.424 2.531 0 50 DFAA CNC(=O)COc1ccc(-c2cccc(-n3cccn3)c2)cc1 67434172 UEWJEYJIJJGPNY-UHFFFAOYSA-N 307.353 2.664 0 50 DFAA Cc1nc([C@@](C)(N)Cc2ccccc2)n(-c2ccncc2C)n1 67649435 ZUSWYCKNRKWWAF-SFHVURJKSA-N 307.401 2.696 0 50 DFAA C[C@H](CCCO)NC(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 252517261 DFEKLWLOUWHYBK-KCXAZCMYSA-N 308.397 2.922 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCc2n[nH]c3c2CCCCC3)n1 67879758 PKOPWEQGPXAZHN-CYBMUJFWSA-N 301.438 2.670 0 50 DFAA Cc1cccc([C@@H]2CCCN2C(=O)COC2CCNCC2)c1C 423223839 AVWJIBHRLUGOQT-SFHVURJKSA-N 316.445 2.736 0 50 DFAA OC[C@@H]1CCCCN1Cc1ccc(F)c(Br)c1 210207 VVYGZHBTPXYPER-NSHDSACASA-N 302.187 2.935 0 50 DFAA Nc1c(C(=O)Nc2ccccc2)noc1C(=O)c1ccccc1 4753638 WPYUBXBPVRNYSB-UHFFFAOYSA-N 307.309 2.740 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNC(=O)Cc1c[nH]c2ncccc12 152858537 PKHFPAVKLLDYTI-JTQLQIEISA-N 312.373 2.630 0 50 DFAA CN(Cc1ccno1)c1nc(C2CCCC2)nc2c1cnn2C 72161922 QDLPOPRLLAJNGR-UHFFFAOYSA-N 312.377 2.645 0 50 DFAA COc1ccc(-n2nc(C(=O)NCC[C@@H](C)F)cc2C)cc1 328593295 ZRNSOUXFJQCFBF-LLVKDONJSA-N 305.353 2.667 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2O)cc1C 72441580 HFWJNGUUBQJJBO-PVAVHDDUSA-N 305.418 2.833 0 50 DFAA COc1c(F)cc(N2C(=O)[C@H]3CCCCCN3C2=O)cc1F 370286074 SDYLPFUICMSMHO-GFCCVEGCSA-N 310.300 2.685 0 50 DFAA CC(C)c1ccc(OCCC(=O)N2CC[C@@H](C(=O)O)C2)cc1 236676238 HGONQZOYIHZLBG-CQSZACIVSA-N 305.374 2.512 0 50 DFAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCN2CCCC[C@H]2C1 241171096 KECVSVBKKUZHJP-GVDBMIGSSA-N 302.393 2.626 0 50 DFAA O=C(O)C1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 238041684 QIHGOBHETLRVJX-UHFFFAOYSA-N 316.332 2.553 0 50 DFAA Cc1nn(C)c(C)c1CN(Cc1ccc(N(C)C)nc1)C1CC1 220296719 OEBHZLVRHCEYPS-UHFFFAOYSA-N 313.449 2.663 0 50 DFAA CCn1nnc(C)c1/C=C(\CC(=O)O)c1nc2ccccc2o1 453028679 SXLVDZJKVPOLPG-DHZHZOJOSA-N 312.329 2.763 0 50 DFAA COc1ccccc1C1(C(=O)NCc2cnc[nH]2)CCCCC1 340585588 YLKZENWQSIIOKM-UHFFFAOYSA-N 313.401 2.937 0 50 DFAA O=C(O)[C@H]1CN(C(=O)c2cccc3[nH]ccc23)c2ccccc21 177477954 KLWHRNROYVSTOS-AWEZNQCLSA-N 306.321 2.997 0 50 DFAA COC(=O)CCC1=C(C)/C(=C\c2[nH]cc(CCN)c2C)N=C1 43760946 MASRCZLLXINOSO-OVCLIPMQSA-N 301.390 2.519 0 50 DFAA Cc1ccc([C@H](C(=O)NCc2cnc(C)cc2C)N(C)C)cc1 223739757 MPPPTLRDIGWBCI-GOSISDBHSA-N 311.429 2.926 0 50 DFAA Cc1cc([C@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)no1 223390482 XTIVAMCKJHDOHY-GFCCVEGCSA-N 310.304 2.942 0 50 DFAA Cc1noc2ncnc(NCCc3cnn(-c4ccccc4)c3)c12 95386257 GZMMFJQYWLPBCZ-UHFFFAOYSA-N 320.356 2.767 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1c1nc2c(s1)c(C)nn2C 95517172 KTVSGRMTSPJFME-LLVKDONJSA-N 322.434 2.650 0 50 DFAA C[C@H](CC(=O)N1CC(Oc2ccccc2Cl)C1)n1cccn1 91876591 QDDQNWZSCFQNQF-GFCCVEGCSA-N 319.792 2.777 0 50 DFAA CSc1ccc([C@@H](C(=O)O)N(C)CCN2CCCC2)cc1 95383204 JTVZCISHRIOUMY-HNNXBMFYSA-N 308.447 2.562 0 50 DFAA COCCN(Cc1ccccc1OC)C[C@@H]1CCCCN1C 244626801 FTBAHKIHNZTVPI-KRWDZBQOSA-N 306.450 2.628 0 50 DFAA COc1ccc(CCN(C)Cc2nccn2C2CC2)cc1OC 244715765 LBSYESQYDJTYCX-UHFFFAOYSA-N 315.417 2.910 0 50 DFAA CN(Cc1cccc(Cl)c1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 252532827 FHBJTROFRZGSFN-BJHJDKERSA-N 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333151872 KPTGMAASRCEGPG-UHFFFAOYSA-N 324.377 2.713 0 50 DFAA CCOCCC(=O)N1CCC[C@H](COc2cccc(F)c2)C1 77298576 QDBAOSLBZJSVBY-AWEZNQCLSA-N 309.381 2.870 0 50 DFAA O=C(CC1CCCC1)N1CCN(C(=O)CC2CCCC2)CC1 72437093 PJKOOYFQQVFICU-UHFFFAOYSA-N 306.450 2.818 0 50 DFAA O=C(CC[C@@H]1CCOC1)NCc1cc(-c2ccccc2)on1 177066758 TVJDSBUJUILHMM-CYBMUJFWSA-N 300.358 2.775 0 50 DFAA CC(C)CC[C@H](C)NC(=O)N1CCN(c2cccnc2)CC1 426436718 QPIWBZHRROQUIS-HNNXBMFYSA-N 304.438 2.738 0 50 DFAA CCNc1nc(Nc2ccc(C(N)=O)cc2)nc2ccccc12 41147395 KYSNRYCPDJHUJX-UHFFFAOYSA-N 307.357 2.904 0 50 DFAA Cc1nnc(SCCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)s1 426697566 QFIMNXNOLOOEII-TXEJJXNPSA-N 324.475 2.546 0 50 DFAA COc1ccc(F)c(CN[C@@]2(CO)CCOc3ccccc32)c1 292758037 BTGZWNZXGTYBMF-GOSISDBHSA-N 317.360 2.594 0 50 DFAA COCCC[C@@]1(CO)CCCN(C2Cc3ccccc3C2)C1 92078923 ZCHNBTUQMOZTNN-IBGZPJMESA-N 303.446 2.655 0 50 DFAA O=c1cc(CN2CCC[C@H](O)CC2)[nH]c2c(Cl)cccc12 91876629 ZLBANFABPOYQGP-LBPRGKRZSA-N 306.793 2.528 0 50 DFAA 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DFAA COc1ccc(C)cc1NC(=O)CSc1nccc(C)n1 419482 CYHBIIYOTHXXOX-UHFFFAOYSA-N 303.387 2.833 0 50 DFAA COc1ccc(CC(=O)NCc2ccc(F)cc2)cc1OC 434048 JZOKOXGDZMPQTF-UHFFFAOYSA-N 303.333 2.702 0 50 DFAA COc1cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)ccc1C(=O)O 2356140185 XYERBCHTMMBONX-AWEZNQCLSA-N 311.337 2.664 0 50 DFAA CCCCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(OC)c21 6670181 FJBRNYKHHAWDCU-CYBMUJFWSA-N 310.781 2.673 0 50 DFAA COCCN(Cc1cccs1)C(=O)COCc1ccccc1 55053115 KIFRPKUZVWMWDI-UHFFFAOYSA-N 319.426 2.940 0 50 DFAA Cc1cccc(NC(=O)CN2C(=S)NC(C)(C)C[C@H]2C)c1C 8830007 PQXDANXVAMTBSF-GFCCVEGCSA-N 319.474 2.989 0 50 DFAA CC(=O)Oc1c(C)cc(CN[C@@H](C)Cc2cc(C)n[nH]2)cc1C 55099570 SMWHWFMSRGVECU-ZDUSSCGKSA-N 315.417 2.981 0 50 DFAA C[C@H]1CN(CCC2CCN(Cc3nccs3)CC2)C[C@H](C)O1 135130843 DVYLMZRWQRGPKM-GJZGRUSLSA-N 323.506 2.854 0 50 DFAA CC(C)N(Cc1nccn1C)C(=O)c1ccc(-n2ccnc2)cc1 67983535 LOAPNSDPVHGJSV-UHFFFAOYSA-N 323.400 2.657 0 50 DFAA CCn1c(-c2ccc3c(c2)CCO3)nc2cc(C(=O)OC)cnc21 65463465 WJSHWYIUWJYBRS-UHFFFAOYSA-N 323.352 2.840 0 50 DFAA O=C(Nc1cccc2nonc12)c1cc2ccccc2oc1=O 4744831 HNXKRAGUVMQEOF-UHFFFAOYSA-N 307.265 2.582 0 50 DFAA COc1cccc([C@@H]2CCCN(c3nc(C)nc4c3CNC4)C2)c1 72150548 OTYLXVPXCNZDJT-OAHLLOKOSA-N 324.428 2.781 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1nc2ccccc2[nH]1 215178580 SWTCUHIFPXICBC-UHFFFAOYSA-N 311.389 2.608 0 50 DFAA O[C@]1(Cc2cccc(Cl)c2)CCN(c2nnc(C3CC3)o2)C1 329399243 VLPZJRGMFGVVSX-INIZCTEOSA-N 319.792 2.784 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCCc3c[nH]nc32)nn1[C@@H](C)C1CC1 329392548 VVDPQUCDSPBNMI-FZMZJTMJSA-N 313.405 2.693 0 50 DFAA COc1ccc(N[C@H]2CCCN(CC(C)(C)CO)C2)cc1OC 12305422 FAVMHKLQCMFVNR-HNNXBMFYSA-N 322.449 2.599 0 50 DFAA CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C(C)(C)C1=O 154318998 LDDIBDHIUXGIFN-UONOGXRCSA-N 320.820 2.523 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CCN[C@@H](C)[C@H]3C)c2)cc1 262742734 FCXJTFQKGQVPLV-LSDHHAIUSA-N 309.413 2.879 0 50 DFAA CCOc1cccc(CN2CC[C@](F)(CO)C2)c1OC(F)F 338998520 NCTOETRDCPGICV-OAHLLOKOSA-N 319.323 2.593 0 50 DFAA Cc1ccc2nc(CN3CCO[C@H](C(F)(F)F)C3)[nH]c2c1C 71681725 PTPALDGWQCNSPB-LBPRGKRZSA-N 313.323 2.943 0 50 DFAA CO[C@H](Cn1cnc2cc(F)ccc2c1=O)c1cccs1 32598343 AADZTAUHPWSDGG-CYBMUJFWSA-N 304.346 2.985 0 50 DFAA CN(C)C/C=C/C(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1 373377605 OKGLKSQNRUTUAT-GQCTYLIASA-N 315.392 2.700 0 50 DFAA O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1ccc(Br)cn1 450714352 YDSCHVIGBWYPDG-YNEHKIRRSA-N 311.223 2.974 0 50 DFAA O=C(O)CNC(=O)c1ccc2c(ccn2Cc2ccccc2)c1 217900411 KIGPBTYZUXBYOC-UHFFFAOYSA-N 308.337 2.504 0 50 DFAA biogenic Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)NC(=O)CC3)nc1 242389497 ZXQSHTGHIBWUTF-UHFFFAOYSA-N 324.384 2.939 0 50 DFAA CCCOc1ccc(CNC(=O)c2ccncc2)cc1OC 47450452 GRZNXXRFDWXNQP-UHFFFAOYSA-N 300.358 2.809 0 50 DFAA CC(C)n1cc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)cn1 221370806 ZMKGFCDCLJPIIV-MRXNPFEDSA-N 318.396 2.522 0 50 DFAA CCCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC12CCNCC2 612966012 LQOFJWHULHDKPR-MRXNPFEDSA-N 319.424 2.889 0 50 DFAA Cc1nc([C@@H](C)NC(=O)c2cnc(C3CC3)nc2O)c(C)s1 426723893 OOBSXBZMOOPDBN-SSDOTTSWSA-N 318.402 2.624 0 50 DFAA CC1(C)CN(C(=O)c2csc(N)n2)C[C@H]1c1ccccc1 426698148 BNEIYMJQGXSUGR-LBPRGKRZSA-N 301.415 2.991 0 50 DFAA O=C(NCc1ccc2c(c1)CCO2)N1CCc2sccc2C1 426444880 GZYUTQHBSBGZDU-UHFFFAOYSA-N 314.410 2.951 0 50 DFAA Cc1ccc([C@@H](C(=O)N(C)Cc2cccc(O)c2)N(C)C)cc1 95363235 KZLNNXRSCQSXFM-SFHVURJKSA-N 312.413 2.962 0 50 DFAA CCn1nc(C)c(CN2CCC(Cn3ccnc3)CC2)c1C 97475513 RRMZMLKIQKNWMU-UHFFFAOYSA-N 301.438 2.629 0 50 DFAA CNc1ncccc1C(=O)N[C@H](c1ccccn1)C(F)(F)F 97819708 OYRMDSVSQQLTMC-LLVKDONJSA-N 310.279 2.552 0 50 DFAA Cc1nn(C)cc1C(=O)N(C)[C@H](C)c1cc(-c2ccccc2)[nH]n1 97301464 ZVTHSDDKYNUEJR-CYBMUJFWSA-N 323.400 2.952 0 50 DFAA OCCCCCn1cc(-c2ccc([C@@H]3CCCCO3)o2)nn1 91452630 QUZBZPYQHRWVHO-HNNXBMFYSA-N 305.378 2.942 0 50 DFAA COc1cccc(F)c1-c1cncc(C(=O)N2CCCC2)n1 97553192 DJBINUGNKQJCIR-UHFFFAOYSA-N 301.321 2.527 0 50 DFAA COc1cc(OC)nc(NC[C@@H]2CCOc3ccccc3C2)n1 95352588 VZWOPIDKDGLYAS-GFCCVEGCSA-N 315.373 2.547 0 50 DFAA COc1ccc(F)c(CN2C[C@]3(CCOC3)CCC2=O)c1F 91486647 OVQQHMZBIDCWMN-MRXNPFEDSA-N 311.328 2.503 0 50 DFAA CCCCN(CCO)C(=O)c1oc(Br)cc1C 298785363 ZCCDCRURSMGEBL-UHFFFAOYSA-N 304.184 2.585 0 50 DFAA Nc1nc(N2CC=C(c3ccccc3)CC2)cc([C@H]2C[C@@H](N)C2)n1 244898920 ZDXWYRSLVKEDKE-IYBDPMFKSA-N 321.428 2.557 0 50 DFAA CC[C@@H](C(=O)NC(C)(C)C)N(CCO)Cc1ccc(C)s1 243957101 CFSIVDMIXYFVGD-AWEZNQCLSA-N 312.479 2.544 0 50 DFAA COc1cccc(-n2cc([C@@H](C)NC(=O)NC3CCC3)cn2)c1 534667037 AODJGPYFOVLLPF-GFCCVEGCSA-N 314.389 2.794 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3cc4sccc4[nH]3)C2)n1 299772312 XYWAHQUBWDLCEX-SECBINFHSA-N 302.359 2.551 0 50 DFAA N[C@@H]1CCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 299786551 NKIHMHPFCZZNJI-MRVPVSSYSA-N 305.325 2.863 0 50 DFAA O=C(C[C@H]1CCOC1)NCc1nc(-c2ccccc2)cs1 584884980 ZTBOBPUVVSNVQO-GFCCVEGCSA-N 302.399 2.853 0 50 DFAA O=C(NC1CCCCCC1)C1CCN(CC[C@H]2CCOC2)CC1 670440530 SPEWFVCHHRMOCC-INIZCTEOSA-N 322.493 2.964 0 50 DFAA COc1ccnc(CN(C)Cc2cnn(C(C)C)c2)c1OC 670452567 JPSHVBUNKUTKRY-UHFFFAOYSA-N 304.394 2.508 0 50 DFAA CCc1nccn1CCC(=O)NCc1coc(-c2ccccc2)n1 670460986 WQVPJRMFPVHUPR-UHFFFAOYSA-N 324.384 2.807 0 50 DFAA CC(=O)N(C)CCCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 952887108 HISYOSLYQOMNBX-QGZVFWFLSA-N 302.418 2.855 0 50 DFAA Cc1nc(C(=O)Nc2c[nH]nc2-c2nccs2)c2ccccn12 1875265273 CAGQHQXAKHGRML-UHFFFAOYSA-N 324.369 2.742 0 50 DFAA O=C1CC[C@@]2(CCN(C(=O)c3oc4ccccc4c3Cl)C2)N1 1875296889 TUNGZIUZJDNCFO-INIZCTEOSA-N 318.760 2.581 0 50 DFAA Cc1nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2cc1O 1875362517 IIUOCNAIOYTIIK-UHFFFAOYSA-N 314.366 2.563 0 50 DFAA Cn1ncc2ncnc(NCc3cc(-c4ccccc4)no3)c21 1875342395 PJFJEXKTQJBAHQ-UHFFFAOYSA-N 306.329 2.630 0 50 DFAA COC(=O)C(C)(C)c1cccc(OC[C@@H]2C[N@]2CC2CC2)c1 1875384620 HGBIEERQRDPSTI-KXBFYZLASA-N 303.402 2.610 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCOC[C@]3(C)C3CC3)n[nH]2)o1 890584661 SHRNGDOHTIFYQB-QGZVFWFLSA-N 315.373 2.619 0 50 DFAA CCn1c(S[C@@H](C)c2nc[nH]n2)nnc1-c1cccs1 1775987025 BVHDTNSBXHYNOD-QMMMGPOBSA-N 306.420 2.998 0 50 DFAA CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2ncnc(CC)c2F)C1 271226457 XIJXUBUPXXHOPM-OLZOCXBDSA-N 322.428 2.699 0 50 DFAA CCS[C@@H]1CCCC[C@@H]1NCCn1c(=O)oc2cccnc21 190048550 CXMLTZQDZBDSCJ-GXTWGEPZSA-N 321.446 2.643 0 50 DFAA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ncccn2)C1 192125016 WKVDPRSGAJTOHY-KGLIPLIRSA-N 323.318 2.803 0 50 DFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)CC(C)(C)C2CC2)CC1 585085773 WHKBMFPQGNCRMD-MRXNPFEDSA-N 319.449 2.518 0 50 DFAA CCSC1(CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 598339378 XLIGIYNDSWKNQK-KGLIPLIRSA-N 324.490 2.570 0 50 DFAA CN(CCC(=O)NC1CCCCC1)CCN(C)C1CCCC1 1529117874 CAHMBAVYVGPRHQ-UHFFFAOYSA-N 309.498 2.632 0 50 DFAA CC(=O)c1ccc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)nc1 1529196163 VPWKEOQVIQDVIO-CQSZACIVSA-N 315.417 2.512 0 50 DFAA CN(CCOc1cccc(Cl)c1)C[C@@H]1CCC(=O)N(C)C1 1775980508 CDPUYDNXRSUMLA-ZDUSSCGKSA-N 310.825 2.519 0 50 DFAA CCNC(=O)N[C@@H](C)c1cnc(N(C)C2CCCCC2)nc1C 11769514 GREWLXFPVAOYNM-ZDUSSCGKSA-N 319.453 2.934 0 50 DFAA O=C1[C@@H]2C[C@@H](CN2Cc2ccoc2)N1c1ccccc1Cl 12331431 ZYMWTPCEAZBPEC-WFASDCNBSA-N 302.761 2.923 0 50 DFAA Cc1nc(C(=O)N[C@@H]2CC(=O)N(C3CCCCCC3)C2)cs1 12459107 NNPDRUSBDGZXAW-GFCCVEGCSA-N 321.446 2.505 0 50 DFAA CN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(F)cc32)c2ccccc21 19943780 YZHPXVYKVWMAPP-LJQANCHMSA-N 321.355 2.673 0 50 DFAA O=C1N/C(=C/c2ccsc2)C(=O)N1Cc1ccc(F)cc1 4472184 ASHJNZXVABAAPP-NTUHNPAUSA-N 302.330 2.980 0 50 DFAA COCC1(C(=O)Nc2ccc(CC(=O)O)cc2)CCCCC1 621537033 COGRYNSHDIJCGF-UHFFFAOYSA-N 305.374 2.849 0 50 DFAA CC(=O)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 12380256 OBHPUXOLIHBTQT-UHFFFAOYSA-N 306.321 2.983 0 50 DFAA CC[C@@H]1CN(Cc2cccc3cnccc23)C[C@@H](C)[S@@]1=O 589186903 PXYNPAHBRFVNNI-FQWGINHLSA-N 302.443 2.966 0 50 DFAA CCn1cc(-c2n[nH]cc2C(=O)NCCc2cccc(C)c2)cn1 390835354 LQAUQZXZUUXSDV-UHFFFAOYSA-N 323.400 2.574 0 50 DFAA Cc1nc([C@@H]2CCN(C(=O)Nc3c(C)noc3C(C)C)C2)n[nH]1 932843040 FXRPWGJRELJJSO-LLVKDONJSA-N 318.381 2.554 0 50 DFAA O=C(Cc1cccc(C(F)(F)F)n1)Nc1ccc(CCO)cc1 934429387 QKUKFCUGLMGFTI-UHFFFAOYSA-N 324.302 2.816 0 50 DFAA CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 126817 NSPDCAYJQJNRGO-OAHLLOKOSA-N 302.374 2.829 0 50 DFAA COc1ccc(N[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 5016165 UFSVQTRWFGFLQX-QGZVFWFLSA-N 324.380 2.743 0 50 DFAA N=c1[nH]c(N2CCc3c(ccc(F)c3F)C2)nc2ccccc12 2325718210 SEOBSZXPHRHXSY-UHFFFAOYSA-N 312.323 2.883 0 50 DFAA Cc1cc(NC(=O)[C@@]2(C(=O)O)CCNC2)cc(-c2ccccc2)c1 2325791143 YWVXHYKYIQGKFJ-LJQANCHMSA-N 324.380 2.665 0 50 DFAA N=c1nc(N2CCC[C@H](c3ccc(CO)cc3)C2)cc(C2CC2)[nH]1 2325809833 RQDKMZYUCQBTSY-INIZCTEOSA-N 324.428 2.643 0 50 DFAA N[C@@H](CNC(=O)c1cnc2ccoc2c1)c1ccc(F)cc1F 2325855835 QTKYSKGOAAEYKV-ZDUSSCGKSA-N 317.295 2.536 0 50 DFAA CCOC(=O)C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 30662 KOUNKLPSPIXTIL-INIZCTEOSA-N 303.402 2.982 0 50 DFAA O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCCO1 38082 XVMYFGAQNMMDHQ-ZDUSSCGKSA-N 306.362 2.991 0 50 DFAA CCCn1nnc(NC(=O)c2ccc(O[C@@H](C)CC)cc2)n1 470618 AJXIISUPJIQBDT-NSHDSACASA-N 303.366 2.513 0 50 DFAA COc1ccc(C)cc1S(=O)(=O)NCc1ccc(C)cc1 583202 NSMTXAKBQLXKKJ-UHFFFAOYSA-N 305.399 2.791 0 50 DFAA O=C(Cn1c(=O)n(C[C@H]2CS2)c2ccccc21)c1ccccc1 4190520 SMJDCXRTXPYFHB-AWEZNQCLSA-N 324.405 2.801 0 50 DFAA COc1ccccc1CNC(=O)Nc1ccc2c(c1)OCO2 6741018 YLCSJBFVYHOAKY-UHFFFAOYSA-N 300.314 2.746 0 50 DFAA CC[C@H](C)N(CC(=O)O)C(=O)c1nc(Cl)ccc1Cl 225479951 YDIGFPINEJCBDR-ZETCQYMHSA-N 305.161 2.714 0 50 DFAA CC[C@H](NC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1cccs1 246542997 VPVREYJTRAEWSK-BFHYXJOUSA-N 324.446 2.789 0 50 DFAA COCc1ncc(CN(CCN2CCCCCC2)C(C)C)cn1 55576419 YMCOCJYWPZQEKX-UHFFFAOYSA-N 320.481 2.709 0 50 DFAA CCCC[C@@H](CC(=O)O)NC(=O)CCN1CCCCCCC1 55042233 HSQZKDVWMJNKJT-HNNXBMFYSA-N 312.454 2.792 0 50 DFAA Cn1ccnc1-c1ccc(NCCn2ccc3ccccc32)nn1 67714090 GYRHAGUZXVJAQO-UHFFFAOYSA-N 318.384 2.944 0 50 DFAA Nc1nc(CCNC(=O)c2scc3c2CCCC3)cs1 65382048 VHKBASCINKPWOZ-UHFFFAOYSA-N 307.444 2.638 0 50 DFAA O=C1[C@@H]2C[C@@H](CN2Cc2ccccn2)N1c1cccc(Cl)c1 64131685 WSUQRGZEFZSKGQ-HOTGVXAUSA-N 313.788 2.725 0 50 DFAA Cc1ccccc1C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 229518461 XCFUMRVXTXZGPP-YESZJQIVSA-N 316.445 2.709 0 50 DFAA O=C1C[C@H](C(=O)Nc2ccccc2N2CCCCCC2)CCN1 119955820 QMTOXDBIOSIEHP-CQSZACIVSA-N 315.417 2.532 0 50 DFAA CCN(CC)c1ccc([C@@H]2CC(=O)Nc3n[nH]c(C)c32)c(O)c1 67723568 CDBJIKNKCADJJX-ZDUSSCGKSA-N 314.389 2.744 0 50 DFAA O[C@@H](CCNCCc1c[nH]c2ccccc12)C(F)(F)Cl 5904348 RJNMQSSCHXQTDF-ZDUSSCGKSA-N 302.752 2.883 0 50 DFAA Cc1c[nH]c([C@@H](C)NC(=O)CCCOCc2ccccc2)n1 218917689 YPXRATOVLNEYKE-CQSZACIVSA-N 301.390 2.892 0 50 DFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)c(F)c1F 31979655 LEKWHFQBBVCBCA-SFYZADRCSA-N 301.264 2.933 0 50 DFAA O=C(NCCc1cn[nH]c1)C1(c2ccc(Cl)cc2)CCC1 216299505 BEXXXHKVERPCGS-UHFFFAOYSA-N 303.793 2.844 0 50 DFAA Cc1noc(CCC(=O)N2[C@@H](C)c3ccc(F)cc3C[C@H]2C)n1 332098705 FSDILGXOAJBMBP-MNOVXSKESA-N 317.364 2.984 0 50 DFAA COCCNc1cc(-c2ccnc(SC)n2)c2cc[nH]c2n1 72479074 MPIKQIWEXODOKQ-UHFFFAOYSA-N 315.402 2.800 0 50 DFAA CC(C)n1ncc2ccc(NC(=O)N3CC[C@](F)(CO)C3)cc21 338439132 LFKDTOCKFIYZQB-MRXNPFEDSA-N 320.368 2.555 0 50 DFAA FC(F)Oc1cccc([C@@H]2CN(CCn3cccn3)CCO2)c1 127332526 DFSRVTDZAKQKPA-HNNXBMFYSA-N 323.343 2.558 0 50 DFAA COc1ccc2nc(N3CCc4ncsc4C3)c(C)nc2c1 338715601 RPVUEVFYCHHHKS-UHFFFAOYSA-N 312.398 2.966 0 50 DFAA C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](CCC(=O)O)C1 237667518 CBHZYSZEQIQBSH-QWHCGFSZSA-N 323.364 2.696 0 50 DFAA O=C(Nc1ccc(F)c(Cl)c1)c1cc2c([nH]c1=O)CCC2 71376350 GBYHGPZKNDOMMH-UHFFFAOYSA-N 306.724 2.908 0 50 DFAA Cc1cc2cc(C(=O)N3CCC(C(=O)O)CC3)oc2cc1C 237904477 PAGREJGMEXWAKO-UHFFFAOYSA-N 301.342 2.986 0 50 DFAA O=C(NCC[C@@H]1CCCNC1)c1cncc(-c2ccccc2)c1 238148408 UZWLUHUFYGEJPO-HNNXBMFYSA-N 309.413 2.868 0 50 DFAA CC[C@@H]1c2cccn2CCN1Cc1cc(C)n(-n2cnnc2)c1C 71765397 FFCRRBLESNLXIG-QGZVFWFLSA-N 324.432 2.776 0 50 DFAA COC1(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)CCOCC1 375056839 HUOWANJXXLSOSB-INIZCTEOSA-N 317.429 2.834 0 50 DFAA COc1cccc(CC2CCN(C(=O)[C@@](C)(O)C3CC3)CC2)c1 376450278 PXLLTNNEFIRCEC-IBGZPJMESA-N 317.429 2.637 0 50 DFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc3ccccc3o2)C1 379165673 ZIKIYZZHPUHARI-ZWNOBZJWSA-N 312.291 2.927 0 50 DFAA C[C@H]1CN(c2ncnc3sc4ccccc4c23)CC(=O)N1C 336912802 ZHOULAGPHDMNKW-JTQLQIEISA-N 312.398 2.511 0 50 DFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCc1cccs1 85532834 OYUBZTUWDORXHI-CQSZACIVSA-N 308.447 2.540 0 50 DFAA O=C(c1ccc(-c2c[nH]c3nccc-3c2)cc1)N1CCC[C@H]1CO 426723823 FHMNAQHYSFCEQW-KRWDZBQOSA-N 321.380 2.778 0 50 DFAA CCCCc1nc(CN2CCCC[C@@H]2C(=O)NC)c(Cl)[nH]1 191079724 URUPJRGOLGGOPG-GFCCVEGCSA-N 312.845 2.506 0 50 DFAA COCc1n[nH]c([C@H]2CCCCN2Cc2ccccc2F)n1 289147446 PYSURAHTWLMKNL-CQSZACIVSA-N 304.369 2.817 0 50 DFAA CC(=O)Nc1cccc2c1CCCN2Cc1cn(C(C)C)nn1 290525025 XWFOYCGVNQXLBZ-UHFFFAOYSA-N 313.405 2.770 0 50 DFAA COc1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1Cl 91708184 WCSLOFXSTSPZLA-QWHCGFSZSA-N 309.793 2.891 0 50 DFAA CCc1ccccc1NCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239159583 MJSCFQBYOZURHK-RIMFYDMWSA-N 322.408 2.672 0 50 DFAA CNC[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)C1 179023556 ZOEPDWJLHQHNJF-CVEARBPZSA-N 318.461 2.954 0 50 DFAA CSc1cccc(CN(C)C(=O)CN2CCCCCC2=O)c1 95526164 JXOZGJBJMDNZAA-UHFFFAOYSA-N 320.458 2.770 0 50 DFAA C[C@@H](O)c1ccc(CNC(=O)[C@H](O)c2ccccc2Cl)cc1 179265951 CJNFHDBEGXAILO-BDJLRTHQSA-N 319.788 2.743 0 50 DFAA NCC[C@H]1CCCN(c2ncnc3c2Cc2ccccc2OC3)C1 96136660 GKAWAJAJHJYSNP-CQSZACIVSA-N 324.428 2.525 0 50 DFAA C[C@@H](c1cccc(-c2cn(CCN3CCCC3)nn2)c1)N(C)C 91781755 ASYSUVIKFJOMDY-HNNXBMFYSA-N 313.449 2.664 0 50 DFAA CCCSCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 252486374 HKUYREILFYKEIG-HNNXBMFYSA-N 303.431 2.884 0 50 DFAA COc1ccc(NC(=O)N(C)CCCc2cnn(C)c2)cc1 299802077 ZVRMAMGZIBGYLQ-UHFFFAOYSA-N 302.378 2.525 0 50 DFAA Cn1c(C(=O)N2CCC[C@]3(CCOC3)C2)cc2cc(F)ccc21 299799084 XFAWHVFAOSQEIW-SFHVURJKSA-N 316.376 2.960 0 50 DFAA COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)cc1 824678958 AYKCUXLBGGECSW-APIJFGDWSA-N 313.353 2.547 0 50 DFAA Cc1ncn(CCn2cnc3cccc(Cl)c3c2=O)c1C 584890220 OYJMYSCWDUERCJ-UHFFFAOYSA-N 302.765 2.563 0 50 DFAA Cc1n[nH]cc1CN(C)C1CCN(CCc2ccccc2)CC1 584892341 OYHVXGPFNDEHAB-UHFFFAOYSA-N 312.461 2.857 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)[C@H](C)OCC(F)(F)F)CCO2 952845467 YFEVDQNTLIHJHT-NSHDSACASA-N 317.307 2.683 0 50 DFAA CC(C)c1ccc(NC(=O)COC(=O)[C@]2(F)CCO[C@H]2C)cc1 1875294864 PHGWEMPAXPSBBF-SJCJKPOMSA-N 323.364 2.809 0 50 DFAA CCCCOc1ccc(C(=O)N[C@@]2(C)CC[S@](=O)C2)cc1 1875387354 DBDPDHUOQVAKGG-KKSFZXQISA-N 309.431 2.506 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2cccc(C)c2)CC1 1875365867 LNAAMLWWHRHPRK-AWEZNQCLSA-N 300.402 2.597 0 50 DFAA CC1CCC([C@@H](N)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 958528239 LJCQFIMMECZVRB-GROLMSMHSA-N 312.454 2.512 0 50 DFAA O=C(c1ccco1)N1CCC[C@@H](Nc2cnc3ccccc3n2)C1 1057563782 XLVQWSBRSMHTGX-CYBMUJFWSA-N 322.368 2.940 0 50 DFAA Cc1cc2c(NC[C@]3(c4ccccc4)C[C@H](O)C3)nccn2n1 895595229 YGSRSVOBKUCHSV-RZDIXWSQSA-N 308.385 2.542 0 50 DFAA CCCn1ccc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 1433907661 VDVKJEQFIWESSB-HNNXBMFYSA-N 311.385 2.640 0 50 DFAA CN(C(=O)CSC(C)(C)C)c1c(Br)cnn1C 1775998538 YGZZKWWGWKBCPK-UHFFFAOYSA-N 320.256 2.677 0 50 DFAA O=S(=O)(Cc1cccc2cccnc12)N1CCCC[C@@H](F)C1 1776002264 GLODUPOALYOGFW-OAHLLOKOSA-N 322.405 2.889 0 50 DFAA O=C(NCc1nn(-c2ccccc2)c2c1CCC2)C1=CCCCO1 169998112 WHPBTQCESMEABV-UHFFFAOYSA-N 323.396 2.672 0 50 DFAA Cc1ccc2c(CC(=O)NCC3(CO)CCCC3)c[nH]c2c1 186960456 GJZWPDOETBTTEA-UHFFFAOYSA-N 300.402 2.688 0 50 DFAA NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 170611188 VPAKRODMCGWPPY-HZPDHXFCSA-N 300.402 2.728 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)nn2)c(F)c1F 633687747 FCHGAUAAQXSEEG-LBPRGKRZSA-N 319.311 2.746 0 50 DFAA O=C(O)[C@@H](CNc1ccc(C(F)(F)F)cn1)C1CCOCC1 685940641 QIJMDBCDKICQFJ-NSHDSACASA-N 318.295 2.640 0 50 DFAA O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 191632052 MKUOQDCOKYCRKT-CABCVRRESA-N 321.336 2.685 0 50 DFAA Cc1cc(CN2CCOC[C@@H]2c2cccc(F)c2)oc1C(=O)O 656764493 BLKZKASMFPMTBD-OAHLLOKOSA-N 319.332 2.999 0 50 DFAA Cc1cc(CC(=O)N(C)[C@H](C)c2ccc3c(c2)OCCO3)on1 1506397889 ZAWNGRDLKLNNLN-GFCCVEGCSA-N 316.357 2.516 0 50 DFAA COc1ccc(Cl)cc1[C@@H](C(=O)O)N1C[C@H](C)O[C@H](C)C1 1506425427 AUDRJGOULXLTKI-RBZYPMLTSA-N 313.781 2.584 0 50 DFAA Cc1cccc(OCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1C 1529167523 MUJLUXGVMJQLOU-WNKDZCFJSA-N 317.429 2.690 0 50 DFAA Clc1cc(CN2CC[C@@H](c3cnccn3)C2)cc2c1OCO2 1615572253 RERLUGYGUUASMC-GFCCVEGCSA-N 317.776 2.848 0 50 DFAA Cc1ccc(OC2CCN(CC[C@H]3COCCO3)CC2)cc1 1775977046 DFKZHAGNNMOAEH-SFHVURJKSA-N 305.418 2.644 0 50 DFAA Cc1cccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)n1 11937980 SHHYJIMLZINUAT-CYBMUJFWSA-N 321.384 2.770 0 50 DFAA Cc1cc(C)n2ncc(-c3nccn3-c3c(C)n[nH]c3C)c2n1 1857705382 FMFYLGIMXULYQO-UHFFFAOYSA-N 307.361 2.539 0 50 DFAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1Br 5938817 NHHZGIJTXHOEGP-UHFFFAOYSA-N 304.209 2.542 0 50 DFAA in-vitro C[C@@H]1CCN(C(=O)c2cc3nccnc3cc2F)[C@@H](C(=N)O)C1 332530975 RKQABKJKIKRHGU-YMTOWFKASA-N 316.336 2.545 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1ccccc1C(F)(F)F 237478724 PEANGFUTILQRBU-PWSUYJOCSA-N 300.324 2.586 0 50 DFAA COc1cc(OC)cc([C@H]2CCN(Cc3ncccc3O)C2)c1 585084329 BZLARQGNTQGOSN-ZDUSSCGKSA-N 314.385 2.794 0 50 DFAA Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 20064404 YXKKWTXWGRKCHX-UHFFFAOYSA-N 323.440 2.751 0 50 DFAA O=C(CSc1nc2ccccc2s1)Nc1nncs1 1079432 WHCYGCPYWLCZLW-UHFFFAOYSA-N 308.413 2.879 0 50 DFAA NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC2 1510361 KQICXWMEBDEGHR-UHFFFAOYSA-N 300.383 2.517 0 50 DFAA Cc1nc2ccc(C(=O)NC[C@H]3CC[C@@H](N(C)C)CC3)cc2o1 2356161336 QGWDCAGETHCZGJ-OTVXOJSOSA-N 315.417 2.986 0 50 DFAA C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCO1 6728770 MJIDAZCDCDHYCT-MLGOLLRUSA-N 305.399 2.686 0 50 DFAA O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1 134782245 ZPWRRSJKWRTGKV-CYBMUJFWSA-N 301.777 2.744 0 50 DFAA Cc1cc(C)nc(N[C@@H]2CCCN(Cc3cccc(O)c3)C2)n1 65408195 HJQKZEFPQLSURY-MRXNPFEDSA-N 312.417 2.876 0 50 DFAA Oc1ccc([C@@H](O)Cn2cc(CCc3ccccc3)nn2)cc1 67786478 AHSMUUMIBOHHHR-SFHVURJKSA-N 309.369 2.503 0 50 DFAA Cc1ccc(CN2CCN(CC(C)(C)C)C[C@@H]2CCO)cc1 20516107 USWCVSHWSSSPPP-SFHVURJKSA-N 304.478 2.910 0 50 DFAA Cc1ccsc1CCNC1CCN(C(=O)C2CCC2)CC1 1506419613 TXOWVPIMRGTVGB-UHFFFAOYSA-N 306.475 2.980 0 50 DFAA CCN1CC[C@@H](N(C)C(=O)Nc2ccc(OC)cc2)[C@@H](C)C1 229845400 XFOIXMRQNJCTNB-XJKSGUPXSA-N 305.422 2.889 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1C(=O)OC(C)(C)C 425039485 MYSFDIOAQXVNRR-PWSUYJOCSA-N 310.419 2.726 0 50 DFAA C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCOCC1CC1 425143097 OHOGUJWDKBMYHG-GFCCVEGCSA-N 315.410 2.575 0 50 DFAA CC(C)NS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 331370820 GHKNLBNOKCSCGO-ZDUSSCGKSA-N 302.827 2.624 0 50 DFAA O=C(C1=CCCC1)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 120468284 LWEKFGDVPBPSFS-LBPRGKRZSA-N 318.446 2.718 0 50 DFAA CCCCCN1CC(=O)N[C@H]1c1ccc(-c2cnn(C)c2)s1 252488871 JAWHTKHUDLFPTL-MRXNPFEDSA-N 318.446 2.769 0 50 DFAA C[C@@H](Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 123283996 VUSOHKCMSIPOLE-FZMZJTMJSA-N 317.780 2.687 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)NCc1ccc2ccccc2n1 359364436 UKCWONQZOBHSGK-UHFFFAOYSA-N 308.385 2.824 0 50 DFAA CC1CCN(CCCNC(=O)[C@@H](C)Oc2ccccc2)CC1 66067697 GHDWXFVHHIZAMO-MRXNPFEDSA-N 304.434 2.692 0 50 DFAA O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2ccco2)c1 1399063 NNYZQMQORPDXSM-UHFFFAOYSA-N 312.300 2.908 0 50 DFAA CO[C@H]1CCCN(c2nncc(-c3ccc(Cl)cc3)n2)C1 12093486 LGMBIUCLTAPRIW-ZDUSSCGKSA-N 304.781 2.807 0 50 DFAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccon2)C1 77459757 XKOFAAHCJHNKAE-HNNXBMFYSA-N 312.369 2.729 0 50 DFAA CN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CCCN1C 71278702 RRCOOHQNMHQTAY-HNNXBMFYSA-N 319.836 2.708 0 50 DFAA COCCN(Cc1ccccn1)C(=O)[C@H]1CCc2ccccc21 215778314 COCZTRFJDOPKNZ-SFHVURJKSA-N 310.397 2.787 0 50 DFAA COc1nnc(NC(=O)N2CCC[C@H]2c2cccs2)s1 253428596 JUHUAFBGQUAIMQ-QMMMGPOBSA-N 310.404 2.977 0 50 DFAA Cn1nnc(CN[C@@H]2CCCSc3ccc(Cl)cc32)n1 330205156 CDRSUWXHRDLRCU-LLVKDONJSA-N 309.826 2.580 0 50 DFAA CC(C)c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)nc1 332388824 KPTOSEVAPFEUKY-UHFFFAOYSA-N 323.396 2.694 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 332657589 NDGKSNXLQZGBFA-UHFFFAOYSA-N 318.295 2.516 0 50 DFAA CN1CCCC[C@H]1CCn1cnc2cc(Cl)ccc2c1=O 32565422 HFQRZZACCFQRGK-ZDUSSCGKSA-N 305.809 2.924 0 50 DFAA Cc1ccc2nc(CNC(=O)c3cc(O)nc(C(C)C)c3)cn2c1 342047984 KNIAXRAEDHNNHP-UHFFFAOYSA-N 324.384 2.797 0 50 DFAA Cc1cnc(CN(C)Cc2nn(C)c3cccc(Cl)c23)[nH]1 216388389 VMTGZJJHBUDJJF-UHFFFAOYSA-N 303.797 2.890 0 50 DFAA Cc1ccc(C[C@@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c(C)c1 237510392 HTLYJSHPIHHBLT-APWZRJJASA-N 310.441 2.921 0 50 DFAA Cc1ccc(-c2ccc(CN3CC[C@@](O)(CN(C)C)C3)cc2)o1 216282725 WCVNBWKXCNQMIA-LJQANCHMSA-N 314.429 2.753 0 50 DFAA O=C(NCC1(C(=O)O)CCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 130656381 SSZWOGQSVLLLLT-NXEZZACHSA-N 307.312 2.726 0 50 DFAA NC(=O)[C@@](CCN1CCCCC1)(c1ccccc1)c1ccccn1 71770686 RNRKPHNAJZHGSV-FQEVSTJZSA-N 323.440 2.729 0 50 DFAA CCn1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cn1 72135473 RFVGEBMBXZTHBT-UHFFFAOYSA-N 318.852 2.874 0 50 DFAA CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@H](CCO)c1ccccc1 239367130 AHQLEXIJLLWYGR-JKSUJKDBSA-N 303.402 2.528 0 50 DFAA C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 241707089 QMNFINHACFTOPM-IJEWVQPXSA-N 318.417 2.827 0 50 DFAA CC1(C)CN(C(=O)NCCc2nc3ccccc3[nH]2)CCS1 175326316 YYPUGMRWOIHXQY-UHFFFAOYSA-N 318.446 2.642 0 50 DFAA O=C(N[C@@H]1CCCc2ccccc21)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225634530 UVMZXUCARQBRNW-LZDOMEQBSA-N 313.397 2.927 0 50 DFAA Cc1nn2c(nnc3c(=O)n(C4CC4)ccc32)c1-c1ccccc1 40390930 QAFYZECSGIMYJR-UHFFFAOYSA-N 317.352 2.750 0 50 DFAA CC(C)Oc1ccccc1-c1c[nH]c(C(=O)N2CCOCC2)c1 426536487 PCEZMQCFVSQDQM-UHFFFAOYSA-N 314.385 2.941 0 50 DFAA Cc1ccc(-c2csc(-n3nnc(C(=O)O)c3C)n2)cc1 138877969 ACJFNNIJSZBLLJ-UHFFFAOYSA-N 300.343 2.706 0 50 DFAA O=C(Cc1ccc(F)cc1F)N1CC[C@@H](N2CCCCC2)C1 87323913 IQYBZNARFXLBRY-OAHLLOKOSA-N 308.372 2.594 0 50 DFAA CCN(Cc1ccccn1)C(=O)c1cc(CC(C)C)nn1C 82092165 JGKNQAFZKPVYDE-UHFFFAOYSA-N 300.406 2.676 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)COCC(F)(F)C(F)F)no1 222896974 BJBCZHRPYVMUML-JTQLQIEISA-N 324.274 2.564 0 50 DFAA O=C(NCc1n[nH]c2c1CCCCC2)N1CCc2ccccc2C1 426410729 PYTCFRJKERRDHW-UHFFFAOYSA-N 324.428 2.947 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)NCc1cn2c(n1)SCC2 91575416 SBQBYNNPPGCWDU-CYBMUJFWSA-N 313.426 2.725 0 50 DFAA CC(C)OC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 96505278 QRNVTWVBMDJUAE-HUUCEWRRSA-N 313.353 2.707 0 50 DFAA CCN1CC[C@@H](C(=O)N2CCc3cc(SC)ccc3C2)C1 97553279 UPCKAMBXHJAFDK-OAHLLOKOSA-N 304.459 2.635 0 50 DFAA COc1cccc([C@@H]2CN(Cc3ccc(C)o3)C[C@H]2C(=O)O)c1 92028158 WLYNBFPLGSXECH-DLBZAZTESA-N 315.369 2.897 0 50 DFAA CC(C)c1csc(CNC(=O)N2CCCC[C@H]2CCO)n1 180749880 FDKMTPZCOAPRCI-LBPRGKRZSA-N 311.451 2.713 0 50 DFAA Cc1ccc2[nH]c(CNCCCc3ccncc3)cc(=O)c2c1 91707446 PALPPRFQCFXPCD-UHFFFAOYSA-N 307.397 2.954 0 50 DFAA CN(Cc1ccc2nonc2c1)C(=O)c1cnc2c(c1)CCCC2 97815563 JEEBIIXDPIWBGV-UHFFFAOYSA-N 322.368 2.769 0 50 DFAA CN(CCO)c1ccc(-c2cccc(C(F)(F)F)c2F)nn1 97775530 IVDLTIKVNPIFGC-UHFFFAOYSA-N 315.270 2.730 0 50 DFAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCc2ccccc2C1 97679904 NRICWPAKOVBDQB-LJQANCHMSA-N 321.424 2.803 0 50 DFAA Cc1nn(C)cc1C(=O)NCCCSCc1ccccc1F 97696153 MIDKAZOSHUECME-UHFFFAOYSA-N 321.421 2.921 0 50 DFAA CCn1nc(Cn2cc(C[C@@H](C)SC)nn2)c2ccccc21 91951683 JNHQGCUSCKZHPC-GFCCVEGCSA-N 315.446 2.990 0 50 DFAA CN1CCN(Cc2sc3ccccc3c2Cl)C[C@@H]1C(=O)O 243932058 BRYGMSQAWCQQHN-LLVKDONJSA-N 324.833 2.755 0 50 DFAA O=C(O)c1ccc(CN(Cc2cocn2)Cc2cocn2)cc1 252485227 GPGOLVQHBXSZTP-UHFFFAOYSA-N 313.313 2.563 0 50 DFAA Cc1nc2cc(CC(=O)N(C)CCC[C@H]3CCCO3)ccc2[nH]1 299768041 FGXJFFITJABSJA-HNNXBMFYSA-N 315.417 2.831 0 50 DFAA COc1cccc2ccc(NC[C@@H]3CC(=O)N(C4CC4)C3)nc12 824804987 NJXINBIBLPJOBN-LBPRGKRZSA-N 311.385 2.666 0 50 DFAA OCCn1nc(-c2ccc(F)c(F)c2)nc1[C@@H]1CC12CCC2 828776609 ACNCZUFUCGUPIR-NSHDSACASA-N 305.328 2.873 0 50 DFAA COCc1nc(Cc2cccnc2)nn1C1Cc2ccccc2C1 824485434 VHKMIYFFJZZHLM-UHFFFAOYSA-N 320.396 2.750 0 50 DFAA CCCc1ncncc1C(=O)NCc1nc2ccccc2n1CC 670452035 VFVVHAANHAQIHJ-UHFFFAOYSA-N 323.400 2.729 0 50 DFAA Cc1nc2[nH][nH]cc-2c(=N[C@H](C)c2ccc(C(F)(F)F)nc2)n1 1875286880 KWJZCUJKGCROQF-SSDOTTSWSA-N 322.294 2.622 0 50 DFAA CCCCc1cn(C[C@H]2CCN(C(=O)C(F)(F)CC)C2)nn1 1875323603 MYWVWWUNPGEVIS-LBPRGKRZSA-N 314.380 2.515 0 50 DFAA COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCOC3)cn2)c1 952984864 XXHNJUAEWVYHCA-GFCCVEGCSA-N 314.341 2.858 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)C[C@@H](C)n2cccn2)c1C 952976655 NZZHYDMDTKCOBU-SNVBAGLBSA-N 313.361 2.672 0 50 DFAA C[C@@H]1CN(c2ccncc2)CCN1Cc1nc2ccccc2o1 887130790 KUQJTBQIUWPRPO-CQSZACIVSA-N 308.385 2.934 0 50 DFAA CCc1ncnc(N2CC[C@@H](CNc3ccccn3)C2)c1F 270588594 USEGVECNEFQBNR-LBPRGKRZSA-N 301.369 2.512 0 50 DFAA COc1ccc(CCc2nnc([C@@H]3CCCOC3)o2)cc1F 886048348 XWQXFOMINRPLRB-GFCCVEGCSA-N 306.337 2.897 0 50 DFAA Cc1cc(Cl)ccc1Cc1noc([C@H]2OCC[C@H]2CN)n1 888078495 WIBKVFGYWXDUHP-FZMZJTMJSA-N 307.781 2.659 0 50 DFAA Cc1c(C(=O)N2CC[C@H](CCCO)C2)n[nH]c1-c1ccccc1 1775986473 SQNYTGPTPRCLQO-AWEZNQCLSA-N 313.401 2.620 0 50 DFAA C[C@@H](NC(=O)Cc1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 272341152 ANGYXTDRDRANHR-VQIMIIECSA-N 323.440 2.651 0 50 DFAA O[C@H](c1ncc[nH]1)C1CCN(c2nc3cc(F)ccc3o2)CC1 302749672 GOXLWJAKHLOZLA-AWEZNQCLSA-N 316.336 2.640 0 50 DFAA C[C@H](C(=O)NCC(=O)Cc1ccc(Br)cc1)C1CC1 408516520 BMESXOMMTAWPMU-JTQLQIEISA-N 324.218 2.723 0 50 DFAA O=C(NC1CCCC1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1 222012002 GPLZZHLPOSMXDE-XIRDDKMYSA-N 312.413 2.739 0 50 DFAA Cc1cc(NC(=O)Cc2n[nH]c3ccccc23)ccc1C(=O)O 170672516 NXIGPTDVJGBIEY-UHFFFAOYSA-N 309.325 2.751 0 50 DFAA CCCCO[C@@H]1C[C@H](N(C)C(=O)c2snnc2C)C1(C)C 170612300 OTKMNWSHCICCAV-NWDGAFQWSA-N 311.451 2.902 0 50 DFAA COc1cnccc1[C@H](C)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C 170603157 VIQHOWUIVQUWDC-XUXIUFHCSA-N 305.422 2.529 0 50 DFAA O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1C[C@H]1c1cccc(Cl)c1 190357362 CHSFMNWQTSGWHX-STQMWFEESA-N 316.792 2.757 0 50 DFAA Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccoc2Cl)cn1 192437965 YSKNRPREAQVARZ-LLVKDONJSA-N 321.764 2.544 0 50 DFAA CN(C)C(=O)C1CCN(CCSCc2ccccc2)CC1 192525224 KJYYHPMQEBILER-UHFFFAOYSA-N 306.475 2.720 0 50 DFAA COc1ccccc1-c1ncc(CN[C@H]2CCOC2(C)C)cn1 648688313 GZKALIKFTMRNSG-INIZCTEOSA-N 313.401 2.809 0 50 DFAA CN(CCCNC(=O)NC1CCSCC1)c1ccccc1 195475474 WHPNMBLXYBJNSG-UHFFFAOYSA-N 307.463 2.708 0 50 DFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cnn2c1NCCC2 1506420173 WYRJVNMDZTUMLH-UHFFFAOYSA-N 322.372 2.650 0 50 DFAA Cn1cc(CN(Cc2ccc(O)cc2)Cc2cccnc2)cn1 1506411288 XZCYEARBUCRJFI-UHFFFAOYSA-N 308.385 2.723 0 50 DFAA CCCCc1ccc(CN(CCO)Cc2cncn2C)s1 1704316108 VWIIDAOQZSFOAE-UHFFFAOYSA-N 307.463 2.819 0 50 DFAA Cn1ccc(C2CCN(C(=O)c3ccc(Cl)o3)CC2)cc1=O 1772815965 BEMFYNTWVZBQBT-UHFFFAOYSA-N 320.776 2.652 0 50 DFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C)c2C)n1 5154915 VPNRGSVZTDBGSQ-UHFFFAOYSA-N 317.414 2.680 0 50 DFAA COc1ccc(-c2noc([C@@H](C)n3cccn3)n2)c(OC)c1 19144224 UWXIOPIYHJIDNW-SNVBAGLBSA-N 300.318 2.560 0 50 DFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1ccc(F)cc1F 19229568 DDKYMLZCFPYAGB-UHFFFAOYSA-N 307.300 2.888 0 50 DFAA O=C1OC(c2ccccc2F)=N/C1=C\c1ccc2c(c1)OCO2 4588870 HPVPRGUJGPDTLV-QPEQYQDCSA-N 311.268 2.899 0 50 DFAA O=C1C[C@H](c2ccc(-c3ccc(=NC4CCCC4)[nH]n3)cc2)CN1 1875241538 XFDPZFJQYFYURZ-HNNXBMFYSA-N 322.412 2.524 0 50 DFAA C[C@@H]1CN(Cc2ccccc2OC2CCCC2)C[C@H]1C(N)=O 408473874 OJJTZDJUTLTEOT-CZUORRHYSA-N 302.418 2.561 0 50 DFAA C[C@@H]1CN(C(=O)c2ccn([C@@H]3CCCNC3)n2)c2ccccc21 328630648 QBTBQFBESAGJEO-ZIAGYGMSSA-N 310.401 2.572 0 50 DFAA O[C@H](CC1CCCC1)CN1CC[C@H](c2nc(C3CC3)no2)C1 328946355 BDYZBOLSLVTXJL-LSDHHAIUSA-N 305.422 2.678 0 50 DFAA CC(C)(C(=O)N[C@H]1CCC(=O)NC1(C)C)c1ccc(Cl)cc1 338518936 UBSYWFXZDBNYKU-ZDUSSCGKSA-N 322.836 2.791 0 50 DFAA CC(C)Cc1ccccc1C(=O)NCC(=O)NCc1ccco1 252511083 ZTJFNWWBDRZVCW-UHFFFAOYSA-N 314.385 2.524 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCCN32)cc1 585121806 APIMVLXCEAXZMW-ZWKOTPCHSA-N 315.461 2.746 0 50 DFAA CC[C@H](CO)NC(=O)Nc1ncccc1OCC1CCCCC1 163142432 MJUVFWFUOWLXQB-CQSZACIVSA-N 321.421 2.933 0 50 DFAA C[C@@H](C[C@@H](C)N)N=c1nc(-c2ccncc2)[nH]c2ccccc12 843323136 LSKWFXXFEDSHEH-OLZOCXBDSA-N 307.401 2.651 0 50 DFAA C[C@@H]1CN(C2CC2)CCN1Cc1cc(F)ccc1-n1cccn1 2100557462 TZVIMLSSRJLASC-CQSZACIVSA-N 314.408 2.680 0 50 DFAA Cc1cc(C2CN(C(=O)[C@H]3COc4cc(C)c(C)cc43)C2)no1 2325791214 BOGYIJDKRVKJEC-HNNXBMFYSA-N 312.369 2.702 0 50 DFAA Cn1c(=O)cc(N2CCC(c3ncc[nH]3)CC2)c2ccccc21 2325802050 DWQXDGRJGMGQKF-UHFFFAOYSA-N 308.385 2.646 0 50 DFAA CN=c1[nH]c(-c2c[nH]c3ncc(Br)cc23)cs1 2325850513 ACDRVSLMQDHEGP-UHFFFAOYSA-N 309.192 2.913 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Cl)cc1 208027 HNIUKFIRRIOZDD-LBPRGKRZSA-N 310.806 2.696 0 50 DFAA CCOc1ccc(NC(=O)CSc2nccc(C)n2)cc1 419476 OHNTWFFOJLJGDB-UHFFFAOYSA-N 303.387 2.915 0 50 DFAA COc1ccc([C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2[O-])cc1 1173474 BXHARHWTXGNMMQ-UGSOOPFHSA-N 312.369 2.961 0 50 DFAA COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@@H]23)c(OC)c1C 2472557 VLUXWGUBKSTGFP-ZVZYQTTQSA-N 305.418 2.968 0 50 DFAA O=C1Cc2ccccc2N1CCSC(=S)N1CCCC1 4530619 IVCCRRVEPQCBKX-UHFFFAOYSA-N 306.456 2.690 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)no1 225677006 LHYJJVLPNIVFHS-HIFRSBDPSA-N 318.348 2.885 0 50 DFAA CNC[C@@H]1CCN(C(=O)Nc2sc(C)nc2CC(C)C)C1 415278023 ABGXZZPSMCUQAW-LBPRGKRZSA-N 310.467 2.723 0 50 DFAA CC(=O)c1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)c1 100630733 RARHMMVKTMICRG-UONOGXRCSA-N 303.745 2.911 0 50 DFAA Cc1ccc2c(c1)[C@H](CC(=O)N1C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C1)C(=O)N2 72129374 BAQWDJVYBZOYIQ-QMPXSYISSA-N 324.424 2.925 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(Cl)nc1 22014526 QFRYTJQRHVKTEX-SECBINFHSA-N 300.742 2.776 0 50 DFAA COc1cnc(NC(=O)[C@](C)(OC)c2ccccc2F)s1 351735336 MLQJQEAYIVIRAY-CQSZACIVSA-N 310.350 2.791 0 50 DFAA CCNc1ncc(-c2nc(C(C)C)nn2-c2ccncc2C)cn1 65395404 XBIZZSKZYIIETN-UHFFFAOYSA-N 323.404 2.983 0 50 DFAA Cc1ocnc1C(=O)N(C)Cc1cnn(-c2ccc(F)cc2)c1 20601643 LJZXIBRXXXXZHW-UHFFFAOYSA-N 314.320 2.580 0 50 DFAA O=C(COc1ccccc1)Nc1noc(-c2ccc(F)cc2)n1 32622769 ULNGCWYDVRRGQV-UHFFFAOYSA-N 313.288 2.893 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)c2ccccc21 317117445 CNSPTBCPYHYMGR-GXTWGEPZSA-N 303.358 2.551 0 50 DFAA C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccnc2nc(N)nn12 167623 RXPWVZSANXRTAY-QMMMGPOBSA-N 323.278 2.865 0 50 DFAA O=C(O)CONC(=O)OCC1c2ccccc2-c2ccccc21 2572682 XQLJEKGEUGUEJZ-UHFFFAOYSA-N 313.309 2.541 0 50 DFAA biogenic,in-vitro CCC(C)(CC)C(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 328615788 ZHIIBLSNEJCNAR-LBPRGKRZSA-N 309.410 2.919 0 50 DFAA Cc1[nH]ncc1C(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 282098625 HHUQBAXBGMUBHU-INIZCTEOSA-N 319.792 2.503 0 50 DFAA COc1cnc(N(C)C(=O)c2cnc(C(C)(C)C)s2)nc1 330461918 SHWWLFSNPMGAIM-UHFFFAOYSA-N 306.391 2.516 0 50 DFAA Cc1cc(C2CCC2)nc(N(C)CCc2noc(C3CC3)n2)n1 71738854 MXZCAHOJQCTJFY-UHFFFAOYSA-N 313.405 2.992 0 50 DFAA C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)o1 237456729 GZIFPWXDBFLVTI-LBGHPLENSA-N 303.358 2.739 0 50 DFAA COC[C@@H]1CCCCN(c2nc(N(C)C)c3ccccc3n2)C1 450446474 OAQHUBKQVKOKMG-CQSZACIVSA-N 314.433 2.949 0 50 DFAA CC(C)(C)c1nsc(N2CCO[C@@H](c3nccs3)C2)n1 159165926 RKEHIEKHZLARFQ-SECBINFHSA-N 310.448 2.870 0 50 DFAA C[C@]1(C(=O)Nc2ccncc2)CCCN(C(=O)c2ccccc2)C1 172979848 CASFHHVTGVZLDF-IBGZPJMESA-N 323.396 2.963 0 50 DFAA Cc1csc2ncc(C(=O)Nc3ccc4cc[nH]c4c3)c(=O)n12 49545016 KGUQDNBCAYDLFK-UHFFFAOYSA-N 324.365 2.798 0 50 DFAA Cn1ncc2c(N3CCC(C(=O)OC(C)(C)C)CC3)ccnc21 342093911 NILWWUAVGNQDBQ-UHFFFAOYSA-N 316.405 2.526 0 50 DFAA Cc1cnc(NC(=O)c2csc(NC[C@@H]3CCCO3)n2)s1 44890208 QQGXQFHSBDAURH-VIFPVBQESA-N 324.431 2.751 0 50 DFAA O=C(O)c1cccc(CN[C@]2(CO)CCCc3ccccc32)c1 263410145 LEWNHLJPIDGWDV-IBGZPJMESA-N 311.381 2.699 0 50 DFAA NC(=O)c1c(F)cccc1C[C@@H]1CC(=O)N(c2ccccc2)C1 223757360 OVKZKQGTUVWENZ-GFCCVEGCSA-N 312.344 2.520 0 50 DFAA Cc1c(F)cccc1NC(=O)c1cc(CN2CCCC2)on1 292033186 FAQHMOKRRAHLLH-UHFFFAOYSA-N 303.337 2.970 0 50 DFAA CCc1ccccc1OC1CN(C(=O)c2ncc(F)cc2F)C1 91793367 SVDAVVDAIAQAQZ-UHFFFAOYSA-N 318.323 2.826 0 50 DFAA CCc1ccc(CN(C)C(=O)CC[C@H](C)N2CCCC2)nc1 426503103 GSFNMHAZFIXMRF-HNNXBMFYSA-N 303.450 2.867 0 50 DFAA O=C(NCc1ccn2ccnc2c1)N1CCc2cc(F)ccc2C1 179491179 SUCNAUKOYUKULV-UHFFFAOYSA-N 324.359 2.741 0 50 DFAA CCCn1nc(C)c(Cn2cc(-c3nccs3)nn2)c1C 95354196 FSAGSPIWJYOXMU-UHFFFAOYSA-N 302.407 2.673 0 50 DFAA CC(C)[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1N(C)C 95530618 FWDQKNCFQBPVFR-RBUKOAKNSA-N 312.461 2.890 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1C 239275027 BCNNJHDWOXQMDX-UGDFAFBOSA-N 322.408 2.726 0 50 DFAA CC(C)(C)OC(=O)N1CCOc2ccc(Br)nc21 91692597 JNJYPFHYRLFURR-UHFFFAOYSA-N 315.167 2.978 0 50 DFAA CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 239402551 QUAVWZJBASPHIB-FPCVCCKLSA-N 307.349 2.591 0 50 DFAA c1cc(-c2nc([C@@H]3CCOC3)nn2-c2ccncc2)n(C2CC2)c1 97301458 XFKSYZSCHNJPNB-CYBMUJFWSA-N 321.384 2.970 0 50 DFAA CNc1nc(CN(C)Cc2n[nH]c3c2CCCCC3)cs1 244595098 DOQIUFCEFXNALJ-UHFFFAOYSA-N 305.451 2.809 0 50 DFAA O=C(N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1)c1ccoc1 244874415 XAYVQWPMMLVFOS-IXPVHAAZSA-N 307.296 2.800 0 50 DFAA COc1ccc(C2(C(=O)NCC3(O)CCCCC3)CC2)cc1 244764138 PBZOJOZJOAIUED-UHFFFAOYSA-N 303.402 2.538 0 50 DFAA Cc1[nH]c2ncnc(NC(=O)c3cnc4ccccc4n3)c2c1C 183580481 DKYAHHCEICRFCJ-UHFFFAOYSA-N 318.340 2.770 0 50 DFAA O=C(NCc1noc(-c2cccs2)n1)NC1CCCCC1 299298538 DMQLBSZJJHROLY-UHFFFAOYSA-N 306.391 2.930 0 50 DFAA Cc1[nH]nc(CCC(=O)NCCCOC2CCCCC2)c1C 534674562 UHLQZKDBNDUIJG-UHFFFAOYSA-N 307.438 2.815 0 50 DFAA COc1ccc(OCC(=O)c2ccnn2C)c(C(F)(F)F)c1 629214756 NVLBLXRWQIDWGQ-UHFFFAOYSA-N 314.263 2.709 0 50 DFAA O=C(O)CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 299777831 FOXBDIFASPJKFO-MRXNPFEDSA-N 301.317 2.846 0 50 DFAA CN1CCC(CNC(=O)c2cncs2)(c2ccccc2)CC1 584894104 QRCZMVJLRKYTIX-UHFFFAOYSA-N 315.442 2.537 0 50 DFAA C=C/C(=C\C=C(C)C)c1cc2nc3c(O)nc(=O)n(C)c3nc2o1 585152451 GVICQLBRVRQRBB-JXMROGBWSA-N 324.340 2.711 0 50 DFAA CCCNC(=O)c1cccc(CN[C@H]2[C@H](C)COC[C@@H]2C)c1 863984648 XRIPMILZDUCBLC-HALDLXJZSA-N 304.434 2.587 0 50 DFAA Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CCO)C1 952880983 DEJYHESKASQBIE-GFCCVEGCSA-N 320.824 2.734 0 50 DFAA COc1nscc1[C@H](C)NC1CCN(c2nccs2)CC1 1875285064 BRCLNHIPIWLWLN-JTQLQIEISA-N 324.475 2.928 0 50 DFAA CCn1c(-c2c[nH]nc2C)nnc1N1CCCC2(CCC2)C1 1875308234 VHBIJKVGTOVCMR-UHFFFAOYSA-N 300.410 2.767 0 50 DFAA CSc1cc(CN=c2[nH]nc(-c3cccnc3)s2)ccn1 1875332368 PTIYPRZIZOZGKL-UHFFFAOYSA-N 315.427 2.751 0 50 DFAA N[C@@H](N=O)c1ccc2nc(-c3cccc([C@H](N)N=O)c3)[nH]c2c1 957950716 UXKPHAQMWCBYAM-KGLIPLIRSA-N 310.317 2.677 0 50 DFAA COc1ccc(C2CC2)cc1CNC(=O)N[C@@H]1CCO[C@@H]1C 883542495 LWBWTKOMLIKMFB-IAQYHMDHSA-N 304.390 2.549 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccccc1-n1cccn1 408474449 XRMYRWIVHLKAGR-NVXWUHKLSA-N 313.401 2.694 0 50 DFAA Cc1c[nH]cc1C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C 408521120 JBUDOQSPESIMKW-UHFFFAOYSA-N 309.410 2.652 0 50 DFAA O=C(Nc1ccc(NC(=O)c2ccncc2)cc1)c1ccncc1 68268 VFVBSQVONILYDC-UHFFFAOYSA-N 318.336 2.981 0 50 DFAA CC(C)[C@H]1C[C@H](NCc2nncn2-c2ccccc2)CS1 277073055 FBYXPDHYGUVPGA-DZGCQCFKSA-N 302.447 2.887 0 50 DFAA Cc1ccc(C)n1C1CCN(CC(=O)N(C)CC2CC2)CC1 169974446 QIIXBXUMGNUEHD-UHFFFAOYSA-N 303.450 2.610 0 50 DFAA O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CCCCN1 170673880 UOTZSMBNIKEUQR-CQSZACIVSA-N 312.373 2.695 0 50 DFAA CCO[C@@H]1C[C@H](Nc2cnn(C)c(=O)c2Cl)C1(CC)CC 170652943 DDFNXGKGYRZUBI-NWDGAFQWSA-N 313.829 2.829 0 50 DFAA C[C@H]1Cc2ccccc2N1CC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1 170639668 SHYCBPRQOBAZDO-QLKGDNGVSA-N 324.428 2.666 0 50 DFAA C[C@@H](Nc1ccc(N2CCC2=O)cc1)C(=O)NCc1ccccc1 280942543 FSUJFQDDKPDTGS-CQSZACIVSA-N 323.396 2.540 0 50 DFAA CC[C@H]1COCCN1C(=O)Nc1ccccc1-c1ncco1 585135708 XQBLFLRLQOJXJA-LBPRGKRZSA-N 301.346 2.984 0 50 DFAA O=C(NCCc1ccccn1)c1csc(N2CCCCC2)n1 585121472 QIXAFWSBLNXMCS-UHFFFAOYSA-N 316.430 2.501 0 50 DFAA COc1ccccc1/C=C/CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643773093 DKIONYZNWHIPOJ-KJKYUDHTSA-N 313.401 2.894 0 50 DFAA CC[C@@H](C(=O)O)N1CCN(Cc2cccc3ccccc23)CC1 191426502 FVVIXBLKDIZKJD-SFHVURJKSA-N 312.413 2.821 0 50 DFAA C[C@H](Cc1ccc(NC(=O)CC2CCOCC2)cc1)C(=O)O 191413902 OWBGAAHAOSPRJZ-GFCCVEGCSA-N 305.374 2.705 0 50 DFAA C[C@@H](Nc1cc(N2CCSCC2)ncn1)c1ccncc1 193369236 MSEWVJLTUVGPJJ-GFCCVEGCSA-N 301.419 2.598 0 50 DFAA Cc1nc(C)n([C@@H]2CCCN(Cc3ccnn3C3CCC3)C2)n1 1615057107 UZPLFGUSYQFOHU-MRXNPFEDSA-N 314.437 2.654 0 50 DFAA O=C(Nc1cccnc1C1CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 1615618187 ITHRZTPRSKOHBV-CQSZACIVSA-N 313.401 2.546 0 50 DFAA CNC(=O)c1cccnc1-c1ccc(O)c(OC(F)(F)F)c1 1772712172 JAJKSLLIXKHJHC-UHFFFAOYSA-N 312.247 2.712 0 50 DFAA CCC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C 5863405 AXXNLOVZWNYEIM-UHFFFAOYSA-N 314.433 2.950 0 50 DFAA Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc2c1CNC2=O 1857527709 KLEOCJWDAPOLPJ-KRWDZBQOSA-N 306.365 2.656 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCCCC[C@@H]2O)c1 1857671146 QAUYNLCRYIPWCU-GJZGRUSLSA-N 311.447 2.665 0 50 DFAA Cc1nc(-c2nccn2[C@@H](C)c2nc(CC(C)C)no2)cn1C 1857740601 LUZUNAYAHZGZOK-NSHDSACASA-N 314.393 2.783 0 50 DFAA CNC(=O)CCCC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 225440657 YMFILWYBCLBKKG-CYBMUJFWSA-N 308.809 2.572 0 50 DFAA Cc1ccccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)O 237542979 PKKFJNQTZQBQJV-CQSZACIVSA-N 305.374 2.620 0 50 DFAA Cc1cc(O[C@@H](C)C(=O)N2CC3(CCOC3)C2)ccc1Cl 342000733 IKZAMVOQAOEBBU-LBPRGKRZSA-N 309.793 2.665 0 50 DFAA CCN1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@@H](C)C1 262676379 SAQLQJUSLYCNRT-MVJTYMMSSA-N 317.477 2.511 0 50 DFAA Oc1n[nH]c(CN2CCCC[C@H]2Cc2cccc(Cl)c2)n1 585140029 JJSOTXDNBNUUDF-ZDUSSCGKSA-N 306.797 2.761 0 50 DFAA O[C@H](c1nc(Cc2cnsn2)no1)C1CCCCCCC1 904108930 WYZYJGHTRVVOIH-ZDUSSCGKSA-N 308.407 2.906 0 50 DFAA COC(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 1050461 QJNMSPJTPYRRSD-UHFFFAOYSA-N 303.289 2.630 0 50 DFAA COc1ccc([C@@H]2O[C@@H]2C(=O)O)cc1OCc1ccccc1 2155685 ZEPGLAKHUZBGSK-HOTGVXAUSA-N 300.310 2.799 0 50 DFAA O[C@@H](COc1cccc(Cl)c1)Cn1nnc2ccccc21 2458565 NUGWBOWBPPTHEV-GFCCVEGCSA-N 303.749 2.525 0 50 DFAA O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12 2507616 NGAGMBNBKCDCDJ-UHFFFAOYSA-N 306.365 2.870 0 50 DFAA in-vivo C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]21 4903141 RBSLAGQYLSMPCD-DFAYQTQMSA-N 319.744 2.740 0 50 DFAA Cc1ccccc1NC(=O)Cc1c(O)[nH]c2ccccc2c1=O 8680516 HYBPGKKEHPSNRR-UHFFFAOYSA-N 308.337 2.723 0 50 DFAA CCCC(=O)Nc1cccc(NC(=O)CCC(=O)OCC)c1 9229930 KPBXPFOBOKZGCI-UHFFFAOYSA-N 306.362 2.707 0 50 DFAA CCc1nn(C)c(CC)c1CNCc1ccc(C(=O)O)c(C)c1 417667081 HLKNVDUJMCPPNI-UHFFFAOYSA-N 315.417 2.841 0 50 DFAA Cn1c(C(=O)N2CCC[C@@H](C(=O)O)C2)ccc1-c1ccccc1 136136507 CCNBUABNIZCRKE-CQSZACIVSA-N 312.369 2.629 0 50 DFAA C[C@H](Sc1nncn1C)C(=O)O[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C 249514392 ZOEGPWJUXHUTJF-RXGFPQBGSA-N 323.462 2.910 0 50 DFAA CCCn1cc(NC[C@]2(c3ccc(F)cc3)CCOC2)nn1 20236146 IYDHKDSCGSMCSD-MRXNPFEDSA-N 304.369 2.597 0 50 DFAA Cc1cc(C)n(CCCNc2cc(N3CCCCC3)ncn2)n1 110113116 PJHJYXQIVGYTJT-UHFFFAOYSA-N 314.437 2.782 0 50 DFAA CN1CCC[C@@H](CN(C)C(=O)c2ccc(OCC3CC3)cc2)C1 360073048 CUXKCYSNURHGHD-MRXNPFEDSA-N 316.445 2.889 0 50 DFAA Cc1nc(C2(NC(=O)N3CCc4ccccc43)CCCC2)no1 172329913 WUUWVALXMVPYOW-UHFFFAOYSA-N 312.373 2.920 0 50 DFAA CC(C)(C)OC(=O)NC1CCN(c2nccc(Cl)n2)CC1 32919294 QEMULGWILCBLJD-UHFFFAOYSA-N 312.801 2.624 0 50 DFAA OCCOCCN1CCC[C@H](CCc2ccc(F)cc2F)C1 72130945 RBCRUUWSJYJMFX-CQSZACIVSA-N 313.388 2.618 0 50 DFAA CCN(Cc1cnc2ccccn12)C[C@H]1COc2ccccc2O1 172719176 CPGDILJWPCEJCI-INIZCTEOSA-N 323.396 2.996 0 50 DFAA CC(C)(C)OC(=O)N1CCc2nc(-c3ccccn3)ncc2C1 30678188 WRWMOPWCUABCFC-UHFFFAOYSA-N 312.373 2.832 0 50 DFAA CC[C@H]1CN(C(=O)c2cc[nH]c2C(C)C)C[C@@]2(CCOC2)O1 368606736 FJTGDILCTNPWMW-SUMWQHHRSA-N 306.406 2.548 0 50 DFAA CC[C@H](NC(=O)c1ccc(C(=O)O)s1)c1c(C)nn(C)c1C 237050383 PHJTZZUDRNRATG-JTQLQIEISA-N 321.402 2.678 0 50 DFAA O=C(c1cccn1C1CC1)N1CCN(C2CCCCC2)CC1 182481172 KZUQXFPNRPUBSI-UHFFFAOYSA-N 301.434 2.914 0 50 DFAA CCCn1nc(C)c(C(=O)NCC(CC)(CC)C(=O)OC)c1C 128328104 QQGXPXAXOBWMPM-UHFFFAOYSA-N 323.437 2.619 0 50 DFAA N[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)c1ccccc1 71764146 AUJNCJYCKADNSN-LJQANCHMSA-N 323.440 2.599 0 50 DFAA CC(C)c1cc(NCc2nnc3ccccn23)n2nccc2n1 72479782 HBNWLNLNTVBBLR-UHFFFAOYSA-N 307.361 2.508 0 50 DFAA COc1ccc(C2(C(=O)N(C)[C@@H](C)c3ccon3)CC2)cc1 215896953 RPLRECXBTILFDX-LBPRGKRZSA-N 300.358 2.934 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 238099569 YCQRCEICVNZNPA-ZDUSSCGKSA-N 303.358 2.555 0 50 DFAA COCCn1ccnc1CN(C)Cc1[nH]c2ccccc2c1C 215463394 ACNUFURFBCTRSR-UHFFFAOYSA-N 312.417 2.951 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)N3CC[C@H]4CC[C@@H](C3)N4)c2c1 77505903 YDXJPZDDVQFGBK-CABCVRRESA-N 309.413 2.818 0 50 DFAA CN(C)S(=O)(=O)c1ccccc1-c1nc(C2CC2)cs1 174099051 SZEBVACXXJFUEV-UHFFFAOYSA-N 308.428 2.938 0 50 DFAA CN1CCN(C(=O)Cc2ccc(Cl)cn2)Cc2ccccc21 339927258 XHNHPYINROKPIW-UHFFFAOYSA-N 315.804 2.756 0 50 DFAA CN(C)C/C=C/C(=O)NCCn1ccc2cc(Cl)ccc21 285975504 OZKVOAYVJHDCNS-ONEGZZNKSA-N 305.809 2.529 0 50 DFAA Cc1cnccc1-c1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 426420045 MSEHIIYPWSWPFC-SFHVURJKSA-N 321.424 2.977 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 177949046 SUESFYKKAVAHFK-PWSUYJOCSA-N 315.398 2.755 0 50 DFAA CSCCCNC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1 426465386 AFJUJFSJGIKDOJ-UHFFFAOYSA-N 306.435 2.766 0 50 DFAA Cc1cc(CNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n[nH]1 426396628 ODLFGFZJSZHNRN-UHFFFAOYSA-N 300.337 2.506 0 50 DFAA O=S(=O)(c1ccc(Cl)cc1)N1CCO[C@H]2CCCC[C@H]21 230066999 VMAPFGLBQISGQV-KGLIPLIRSA-N 315.822 2.672 0 50 DFAA CCc1nc(C)sc1CNC(=O)[C@@]1(C)CCCN(CC)C1 91943066 LCRIMRVIAWWCQN-INIZCTEOSA-N 309.479 2.752 0 50 DFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(c2ccncc2)C1 95391666 CORKSQAHJALGIA-MRXNPFEDSA-N 313.449 2.614 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cccc(OC(F)F)c2)C[C@H]1C1CC1 91269758 FWPSEMUKGVQXSQ-UONOGXRCSA-N 311.328 2.831 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)NCc1ncc2c(n1)CCC2 91846565 JVICKRIKRGNHKK-UHFFFAOYSA-N 316.430 2.784 0 50 DFAA CC(C)[C@H]1CN(CCC(F)(F)F)C[C@@H]1NC(=O)c1ccco1 92038840 OTPVITQKDVRBNV-NEPJUHHUSA-N 318.339 2.918 0 50 DFAA COc1cc(F)c([C@H](C)N[C@@H](C)c2nccn2C)cc1OC 182967847 FJTYFEFLQPQHHP-QWRGUYRKSA-N 307.369 2.988 0 50 DFAA Cc1cnn([C@@H]2CCCN(c3cc(OC(C)C)ncn3)C2)c1 298156642 DTPDEZFPUDFHFN-CQSZACIVSA-N 301.394 2.610 0 50 DFAA CN(C)[C@H](C(=O)NCC1=CCCCC1)c1ccc2c(c1)OCO2 252509451 YOBWFIRAIUAINA-KRWDZBQOSA-N 316.401 2.635 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@H]1CCCCO1 299743104 LUSZMXPPHOLZAI-XGUBFFRZSA-N 309.406 2.580 0 50 DFAA CN(C)CCOC(=O)[C@@H]1c2ccccc2C=Cc2ncccc21 252500647 SZSLDJXMKDHPCB-GOSISDBHSA-N 308.381 2.802 0 50 DFAA COCC1(NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)CCCC1 299762317 UKWWBHQIWJEKEQ-ZDUSSCGKSA-N 323.462 2.649 0 50 DFAA O=C(NC[C@H]1CCN(C2CCCC2)C1)c1cccc(F)c1O 299756427 DYHJTMYGWMEXAU-GFCCVEGCSA-N 306.381 2.526 0 50 DFAA CCOC(=O)N1CC[C@H](NCc2coc(-c3ccccc3)n2)C1 495423990 FTEDTTNWZRDVKC-AWEZNQCLSA-N 315.373 2.662 0 50 DFAA Cc1nc[nH]c1CSCCn1cnc2ccc(F)cc2c1=O 584895888 HISUKQPUUVCTTF-UHFFFAOYSA-N 318.377 2.501 0 50 DFAA O=C(NC1(CO)CCCCCC1)c1ccc(SCCO)cc1 584888881 HIHZDVCCUCYTRH-UHFFFAOYSA-N 323.458 2.586 0 50 DFAA CN1CC[C@@H](Cn2cnc3c(Cl)ccc(Cl)c3c2=O)C1 670473434 OVCHNGNOGMBZJL-SECBINFHSA-N 312.200 2.655 0 50 DFAA CCCn1nc(COC)nc1-c1cccc(Cn2cccn2)c1 670460107 KPDVUEQQPBMTGA-UHFFFAOYSA-N 311.389 2.746 0 50 DFAA CCc1cccc(F)c1CNC[C@@H](C(=O)O)C1CCOCC1 863745642 MZNGLCXMYUEGQA-OAHLLOKOSA-N 309.381 2.605 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 269205411 SYUWCOZKHAYWKA-CYBMUJFWSA-N 303.358 2.555 0 50 DFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1Cc1ccncc1Cl 952890351 YOUUORUCWYEXLY-ZDUSSCGKSA-N 320.780 2.884 0 50 DFAA COC(=O)c1ncoc1CNC(=O)CCCC1CCCCC1 952993690 KIIUXINBIFFTPF-UHFFFAOYSA-N 308.378 2.828 0 50 DFAA COCCCCN[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 1875275597 AYJDKCRAMUXAML-ZDUSSCGKSA-N 300.443 2.648 0 50 DFAA O=C(NC[C@H](C(=O)O)c1ccc(Cl)cc1)[C@H]1CCCS1 1875334597 WOLWJRNUODRKHM-NWDGAFQWSA-N 313.806 2.520 0 50 DFAA COc1cc(CCNC(=O)N2C[C@H]3CCC[C@@H]2C3)cc(OC)c1 1565530820 FIBCODQHLBPWHG-LSDHHAIUSA-N 318.417 2.830 0 50 DFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cccc(C)c1 1565514057 DFJHODAKGAMRLO-ROUUACIJSA-N 317.429 2.794 0 50 DFAA O=C1CCCC[C@@H](C(=O)Nc2cnccc2-c2ccccc2)N1 408520309 OEINRABHGSTJMN-HNNXBMFYSA-N 309.369 2.746 0 50 DFAA CC1=CCC[C@H](C)[C@H]1CN[C@H]1CCCN(c2nccnc2O)C1 275558494 NSBXOKKZIXOKNY-JYJNAYRXSA-N 316.449 2.733 0 50 DFAA O=C(N[C@H]1CCC[C@@H]1O)c1ccc(-c2ccncc2)c(F)c1 634415149 HIPMIXORMRRJAC-HOTGVXAUSA-N 300.333 2.531 0 50 DFAA Cc1n[nH]c(C)c1CN1[C@H]2CC[C@H]1[C@@H](C(=O)OC(C)(C)C)C2 585116655 DLPAOUNCLQDNGH-YDHLFZDLSA-N 305.422 2.721 0 50 DFAA O=C(Nc1nc(C2CC2)cs1)NN1Cc2ccccc2C1=O 585119838 WTIBNOISTZOWPZ-UHFFFAOYSA-N 314.370 2.713 0 50 DFAA COC1(OC)CC2(CN(C(=O)c3cc(C)sn3)[C@@H]2C(C)C)C1 585130118 ILQMTZRJTSWANP-CYBMUJFWSA-N 324.446 2.701 0 50 DFAA C[C@H](C(=O)N1Cc2c[nH]nc2CC(C)(C)C1)c1ncccc1F 663198539 RNHRERDINHHPFR-NSHDSACASA-N 316.380 2.658 0 50 DFAA CN(CCCOc1ccccc1Cl)C(=O)CCCC(=O)O 1506427491 MBYXCHGQDWODSS-UHFFFAOYSA-N 313.781 2.822 0 50 DFAA Cc1ncnc(N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)c1C 216618739 QJOZXZSUAGNNLH-MJGOQNOKSA-N 311.429 2.913 0 50 DFAA CCC[C@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@@H]1C(=O)O 222125433 RFMJSQSXTPQARB-STQMWFEESA-N 321.421 2.599 0 50 DFAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)Nc3cnc4c(F)c(F)ccc4c3)C[C@H]21 1615544452 BOMGXWBWYPYLGV-UZWIWUQPSA-N 317.339 2.825 0 50 DFAA COc1cc(C(N)=O)cc(OC)c1OCc1ccc(C)cc1 1848442522 SFDOTMOIBZXXPM-UHFFFAOYSA-N 301.342 2.690 0 50 DFAA COc1ccc(O)cc1-c1nccn1-c1ccc2c(c1)nnn2C 1775979912 PJYVIMXVMGSDQJ-UHFFFAOYSA-N 321.340 2.535 0 50 DFAA COc1ccc(NC(=O)c2c(C)nc3ccccn23)c(OC)c1 5728496 YQIOXNULDKYUIL-UHFFFAOYSA-N 311.341 2.912 0 50 DFAA O=C(CCc1cnccn1)N1CCO[C@@H](CC2CCCCC2)C1 15078476 JIUDISFCDWLBJS-KRWDZBQOSA-N 317.433 2.607 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](NCc3ccc(F)cc3)C2=O)cc1 18195384 RVPWMRJELNBRQB-INIZCTEOSA-N 312.344 2.556 0 50 DFAA CC(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1 19323196 JYSNRCGNHGVFDI-UHFFFAOYSA-N 300.446 2.827 0 50 DFAA biogenic O=C(NC1CC1)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169748946 BTPZODBCGDNGCN-HNNXBMFYSA-N 317.776 2.700 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)nn1 120420756 DBSVOBUTVQTXKT-LBPRGKRZSA-N 317.776 2.768 0 50 DFAA CCC(CC)(CNC(=O)[C@H]1Cc2ccc(Cl)cc21)C(=O)O 630150946 YXSKCGCJUNRJBU-ZDUSSCGKSA-N 309.793 2.987 0 50 DFAA Cc1ccccc1[C@]1(F)CCN(c2cn[nH]c(=O)c2Cl)C1 242339058 ZEPAFTYFHLJJAT-HNNXBMFYSA-N 307.756 2.807 0 50 DFAA C[C@H](NC(=O)N1CCC[C@H]1Cc1ccccc1)c1cnn(C)c1 266451207 BTYJVBDAWIVFHR-YOEHRIQHSA-N 312.417 2.898 0 50 DFAA Cc1ccc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)s1 111239575 KGTIGQGHEKINOT-LLVKDONJSA-N 307.293 2.536 0 50 DFAA CNC(=O)Nc1cc(NC(=O)c2csc(C)n2)ccc1F 2325721280 DSQGSTQQROIKFV-UHFFFAOYSA-N 308.338 2.594 0 50 DFAA COc1cccc(-n2cnnc2SCc2cnoc2C)c1 2325749751 SWTJZCHAAVBLTR-UHFFFAOYSA-N 302.359 2.865 0 50 DFAA COc1ccnc([C@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)c1 2325802857 BLHLGDRBRUJGBZ-NEPJUHHUSA-N 310.344 2.842 0 50 DFAA C[C@@H]1CC(F)(F)CN1Cc1ccc(-c2nn[nH]n2)cc1Cl 2325869164 AYIFLBUTSUTUAU-MRVPVSSYSA-N 313.739 2.750 0 50 DFAA Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1 208847 DXLCXPIADXYJOI-UHFFFAOYSA-N 319.364 2.698 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 340289 QDIIFQYRCJCOKH-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA COc1ccc(CNC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 514352 XDZSRUZAHUUXBA-ZDUSSCGKSA-N 315.369 2.788 0 50 DFAA CCc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2)cc1 2994185 GGYNSHXXELOGMV-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA OC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1nnc(-c2cccc(F)c2)o1 2356151638 RCIGLLNUCCSZNG-UWEBFBLFSA-N 317.364 2.611 0 50 DFAA Cn1cnc2nc(-c3ccc(OC[C@@H]4CCCCN4)cc3)ncc21 2356163633 LNRWTNQKCVBPIB-AWEZNQCLSA-N 323.400 2.551 0 50 DFAA COC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2OC)c1 3555946 KEHJGYDCWSVLSE-UHFFFAOYSA-N 313.353 2.971 0 50 DFAA CCCc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)no1 3908997 ZJTXALBACLTZBN-UHFFFAOYSA-N 320.345 2.905 0 50 DFAA C[C@H](NC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32)c1nc[nH]n1 225341977 YHOKKAJNTXPVNT-SUHUHFCYSA-N 311.389 2.730 0 50 DFAA CCOC(=O)c1ccc(C)c(NC(=O)CN2CCCCC2)c1 10337112 XLZURBMDVWWZGG-UHFFFAOYSA-N 304.390 2.596 0 50 DFAA CC(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 9013571 YTQPJEGHSUJBKU-UHFFFAOYSA-N 322.415 2.536 0 50 DFAA Cc1cnc(NCc2ccc3c(c2)OCCCO3)nc1N(C)C 65454222 NLBWZEAVJKLXMU-UHFFFAOYSA-N 314.389 2.624 0 50 DFAA COc1ccc(Cl)cc1-n1nc(C(C)C)nc1-c1ncn[nH]1 67833795 NYQRDGYLNLICNB-UHFFFAOYSA-N 318.768 2.838 0 50 DFAA CC(C)N1CCC(NCCc2cnn(-c3ccccc3)c2)CC1 65466857 BUUORODEVKJPQX-UHFFFAOYSA-N 312.461 2.877 0 50 DFAA CNC(=O)COc1cccc(Oc2ncnc3ccsc23)c1 348105309 KZDSPAXIQCLEFW-UHFFFAOYSA-N 315.354 2.608 0 50 DFAA Cc1cc(C)cc(N2CC[C@@H](C(=O)Nc3ccc(C)nc3)C2=O)c1 122459796 XMQRVBIMQLZQHM-KRWDZBQOSA-N 323.396 2.998 0 50 DFAA C[C@@H](Cc1cccs1)N(C)S(=O)(=O)CC[C@H]1CCCO1 252512011 LJJRVYYSMWEEGQ-QWHCGFSZSA-N 317.476 2.510 0 50 DFAA Cc1ncc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328642095 QVANLCFEXRARAP-RDJZCZTQSA-N 316.474 2.971 0 50 DFAA O=c1[nH]c(Nc2nc(C(F)(F)F)cs2)nc2c1CCCC2 1386713 HNQHYWPYIFELEP-UHFFFAOYSA-N 316.308 2.868 0 50 DFAA CCCCCN1CC(=O)N[C@H]1c1ccccc1-c1ccnn1C 430916584 VVRTVSPWILQPDD-GOSISDBHSA-N 312.417 2.708 0 50 DFAA CC(C)COc1cncc(N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 151043653 MMGXWGNQCGQBLE-PBHICJAKSA-N 305.422 2.643 0 50 DFAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)s1 77452905 QUPWUMUEEHFWTL-JTQLQIEISA-N 315.822 2.860 0 50 DFAA Cc1ccc([C@@H]2CN(C(=O)N(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72409113 BJXNVNGBOVEOHL-RCCFBDPRSA-N 313.445 2.539 0 50 DFAA O=C(Nc1ccnn1-c1cccc(F)c1)c1cnn2ccccc12 240912272 IXAYLVJOGHIMPY-UHFFFAOYSA-N 321.315 2.911 0 50 DFAA Cc1nc(NCCn2cnnc2C2CC2)c2c(C)csc2n1 126785412 NZELPDHNGKYBJH-UHFFFAOYSA-N 314.418 2.889 0 50 DFAA COc1ccc(-c2nccn2CC[C@H]2CCOC2)cc1C(=O)O 77354592 CHMUPBWHJKJBTA-LBPRGKRZSA-N 316.357 2.684 0 50 DFAA COc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 172780173 JUUATYGRKVJQEY-CXAGYDPISA-N 324.380 2.619 0 50 DFAA O=C(NC[C@@H]1C[C@H]1C1CCC1)N1CC[C@@H](n2cc(Cl)cn2)C1 333389050 LSIKBQYAAHZIGN-CFVMTHIKSA-N 322.840 2.929 0 50 DFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@]1(C)CC=CCC1 333719728 HXTSDZBKYGGGDC-INIZCTEOSA-N 300.362 2.612 0 50 DFAA C[C@@H]1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)C1 455879696 DGSNZOJGGYWTRP-DIOULYMOSA-N 317.385 2.690 0 50 DFAA COc1ccc(CN2CCC(Cn3cccn3)CC2)c(F)c1 215928795 CBTHZANJLRMQPE-UHFFFAOYSA-N 303.381 2.943 0 50 DFAA Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77407124 AEHYGPPJVQSHLH-CYBMUJFWSA-N 313.405 2.651 0 50 DFAA C[C@H](Nc1nccc(CCC(F)(F)F)n1)c1nnc(N)s1 71746562 DJSFRENDQCEYIG-LURJTMIESA-N 318.328 2.578 0 50 DFAA Cc1ccc(CCC(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)c(C)c1 263275040 WNWFQDMXICQTCG-ZBFHGGJFSA-N 303.402 2.948 0 50 DFAA CCCc1nnsc1C(=O)NCc1cnc2ccccc2c1 221262045 FWNQRCGDRWRGSO-UHFFFAOYSA-N 312.398 2.969 0 50 DFAA c1ccc(O[C@@H]2COCC[C@H]2Nc2nc3ccccc3o2)nc1 220684264 WXOTWYIOZJLIJC-UKRRQHHQSA-N 311.341 2.871 0 50 DFAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2ncccc2N)cc1 426497322 VWBXUORMQGOCOH-HNNXBMFYSA-N 311.385 2.582 0 50 DFAA O=S(=O)(c1ccc(Cl)cc1)N1CCO[C@@H]2CCCC[C@H]21 230066994 VMAPFGLBQISGQV-ZIAGYGMSSA-N 315.822 2.672 0 50 DFAA COc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)CN)c(F)c2)cc1 179197105 ONKZQRKJLBKDID-LBPRGKRZSA-N 316.376 2.921 0 50 DFAA O=C(c1ccoc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91487173 VEZQYZRNJYOEPP-DOTOQJQBSA-N 324.380 2.543 0 50 DFAA Cc1occc1C(=O)N1C[C@@H](C(=O)O)C[C@H](c2ccccc2)C1 180349546 QAHQDJWSDISYOT-GJZGRUSLSA-N 313.353 2.919 0 50 DFAA CCc1nnc(N2CCN(c3ccc(F)c(Cl)c3)CC2)o1 95374963 FRROPTPCFXRNCB-UHFFFAOYSA-N 310.760 2.751 0 50 DFAA O=C(NCCSCc1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 97495250 JCYFWTFXJLFTOI-UONOGXRCSA-N 307.415 2.537 0 50 DFAA Cc1cccc2c1CC(C)(C)N(C(=O)Cc1cnn(C)c1C)C2 295791768 FAPCGHGWLHSWCG-UHFFFAOYSA-N 311.429 2.943 0 50 DFAA O=C(O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1ccc(Cl)cc1Cl 247412272 PPJAJGGQNARTGA-OIVXANJASA-N 300.141 2.539 0 50 DFAA C[C@@H](Cc1ccccn1)N(C)CC(=O)NCC1CCCCC1 243892821 ALRVBJGJIXXUIV-HNNXBMFYSA-N 303.450 2.641 0 50 DFAA O=C(C1CC=CC1)N1CCCN(Cc2cccc(F)c2)CC1 584895892 OVGMTRGVMBGOQT-UHFFFAOYSA-N 302.393 2.826 0 50 DFAA CC(C)Cc1noc([C@H]2CCCN(Cc3cnc(N)s3)C2)n1 670433745 BHCQMAFDCJOUPK-NSHDSACASA-N 321.450 2.686 0 50 DFAA C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc3nc(O)n(C)c3c2)cc1 629713123 GMVMCFPYDPUADK-KPZWWZAWSA-N 323.396 2.995 0 50 DFAA O[C@H](CN1CCCC[C@@H]1c1ncccn1)c1ccccc1F 952880501 GHQNPOWQDCMTPV-HZPDHXFCSA-N 301.365 2.876 0 50 DFAA COCCCn1cc(Br)c2sccc2c1=O 1875279040 XDAHKSOFDLWAOD-UHFFFAOYSA-N 302.193 2.862 0 50 DFAA Cc1c(C(=O)O)cncc1C(=O)N1CC=C(c2ccccc2)C1 1875340739 PHFIIKWCDVVURN-UHFFFAOYSA-N 308.337 2.628 0 50 DFAA C[C@@H](CNC(=O)CCC1CCC1)n1cc(-c2ccncc2)nn1 1875323538 LBKMAPXRMHUICD-ZDUSSCGKSA-N 313.405 2.598 0 50 DFAA CC(C)n1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)n1 630327956 BMFAPMYZQDLLRA-UONOGXRCSA-N 313.357 2.904 0 50 DFAA COC1(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)CCC1 273287765 YYJBXFJOWKKPLD-KRWDZBQOSA-N 316.445 2.536 0 50 DFAA C[C@H]1C[C@H](c2ccccc2)CN1c1cc(N2CCOCC2)ncn1 277929114 WEAVNYSBNNELMO-RDJZCZTQSA-N 324.428 2.696 0 50 DFAA C[C@@H](CCc1cccc(F)c1)C(=O)N[C@](C)(C(=O)O)C1CC1 170592084 KEBYNDDGFPIZKR-GTNSWQLSSA-N 307.365 2.764 0 50 DFAA CC1(COC(=O)Cc2cc(F)ccc2Br)COC1 170680847 OOEMMEVXUQSMKQ-UHFFFAOYSA-N 317.154 2.710 0 50 DFAA CC(C)c1nn(C)cc1NC(=O)N1CC(C)(C)OC(C)(C)C1 280792494 QFWSXTCBEKRQSW-UHFFFAOYSA-N 308.426 2.965 0 50 DFAA O=C(N[C@H]1CCOc2ccccc21)c1nn[nH]c1-c1ccccc1 188878237 MPYOJSKJILREIP-AWEZNQCLSA-N 320.352 2.725 0 50 DFAA Cn1nc2c(c1C(=O)N1CC[C@H](Nc3ccccc3)C1)CCCC2 675780952 SDSSOJIAIJWNAD-HNNXBMFYSA-N 324.428 2.626 0 50 DFAA C/C(=C\C(=O)N1CC(n2nc(C)nc2C)C1)c1cccc(F)c1 585080844 CMTNEKCYUAWHKE-YRNVUSSQSA-N 314.364 2.521 0 50 DFAA O=C(Nc1ccc(-n2ccnc2)nc1)c1coc(C2CCC2)n1 193958192 KPBBXUQIZUWHJA-UHFFFAOYSA-N 309.329 2.775 0 50 DFAA O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cc(C2CC2)[nH]n1 194700994 JXSHYCOCPHUCRE-UHFFFAOYSA-N 307.357 2.607 0 50 DFAA CCc1ccn2cc(CCN3C(=O)c4ccccc4C3=O)nc2c1 1267971652 SSWKVOKMHACKFM-UHFFFAOYSA-N 319.364 2.735 0 50 DFAA Cc1cc(C)n(C2CN([C@H](C(=O)O)c3ccc(C)c(F)c3)C2)n1 1506421864 KJAIMNXGKOHTDI-INIZCTEOSA-N 317.364 2.630 0 50 DFAA Cc1nc(NC(=O)/C=C/c2cccs2)sc1C(=O)N(C)C 475983 SUIYTCNAHMGZGY-VOTSOKGWSA-N 321.427 2.867 0 50 DFAA CCCc1nc(C)cc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704303442 YRQCQIOUNBOSRL-HZPDHXFCSA-N 312.417 2.802 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2Nc1nnc(CN(C)C)o1 1772704185 MMZNZQPRXVSWEF-AWEZNQCLSA-N 302.378 2.629 0 50 DFAA Cc1ccc(Oc2ncccc2CNC(=O)c2ccccn2)cn1 12440819 QWJNPHWRALZPGG-UHFFFAOYSA-N 320.352 2.902 0 50 DFAA CS(=O)(=O)c1cccnc1-c1cnc2cc(F)ccc2c1 1875246778 AOUNFBJBMVAPDR-UHFFFAOYSA-N 302.330 2.839 0 50 DFAA CCCNc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1 225497736 DVKLHPAMBWEQNX-BZUAXINKSA-N 303.406 2.628 0 50 DFAA Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)O)C2)cc(C)c1Cl 911466816 YWQKIPLEUGHXSN-GFCCVEGCSA-N 324.808 2.692 0 50 DFAA c1ccc(-c2noc(CCN3CCOC[C@H]3CC3CC3)n2)cc1 933211127 ZJBVFUSRSBUQLR-MRXNPFEDSA-N 313.401 2.780 0 50 DFAA COc1cccc(NC(=O)c2c3c(cc4c2OCC4)OCC3)c1 242621100 CMVFBWINANSSJG-UHFFFAOYSA-N 311.337 2.817 0 50 DFAA Oc1cccc(CN2CCN(CC(F)(F)F)CC2)c1Cl 294870582 KAUVHPQYBDIHDE-UHFFFAOYSA-N 308.731 2.726 0 50 DFAA Cc1ncsc1C(=O)N1CCN(c2ccc(F)cc2)CC1 4623335 LCDDITYCJCWGEZ-UHFFFAOYSA-N 305.378 2.553 0 50 DFAA Cc1cc2cc(NC(=O)c3conc3C3(CN)CC3)ccc2[nH]1 2325774732 NVYJLSAQTCJABQ-UHFFFAOYSA-N 310.357 2.707 0 50 DFAA CN1CCC([C@@](C)(O)CNCc2ccc3c(c2)CCCC3)CC1 2325789894 UVTSXIUTNKTWHV-FQEVSTJZSA-N 316.489 2.748 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C)cc1 231501 WDSXBYSUNDQKBR-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA COc1ccc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 2815138 SWJNFMKJQPCVIQ-MRXNPFEDSA-N 309.365 2.813 0 50 DFAA CC(=O)N(C)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 4037005 ZGVCHFHTPCTBLK-UHFFFAOYSA-N 312.369 2.995 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F 4180446 KONJPEJLLDKESM-CYBMUJFWSA-N 324.402 2.998 0 50 DFAA COc1ccc2nc(Nc3ncc(C(C)=O)c(C)n3)nc(C)c2c1 6275683 DYYNFCNEGCHVAI-UHFFFAOYSA-N 323.356 2.991 0 50 DFAA CC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10371964 UNOGZQIURWMWBO-UHFFFAOYSA-N 318.398 2.626 0 50 DFAA Cc1cnccc1N1CCN(c2nc(C)c3ccccc3n2)CC1 67946940 FIELWPKERMJTEX-UHFFFAOYSA-N 319.412 2.968 0 50 DFAA CN(CCCc1cnn(C)c1)C(=O)C1(c2ccccc2F)CC1 65398525 TWZBHLLOGSZPNZ-UHFFFAOYSA-N 315.392 2.682 0 50 DFAA Cn1cc(CN(Cc2nc3c(s2)CCCC3)C2CC2)cn1 65395377 VJXGVHJDNUZLAN-UHFFFAOYSA-N 302.447 2.920 0 50 DFAA Clc1ccc(N2CC[C@@H](Nc3cnccn3)C2)cc1Cl 349905995 VPPAVWUVHVRWHL-SNVBAGLBSA-N 309.200 3.474 0 50 DFAA Cc1sc(-n2cccc2)c(C(=O)NC[C@@H]2CCN(C)C2)c1C 67947866 OWSOQKSJTUQJIU-AWEZNQCLSA-N 317.458 2.837 0 50 DFAA Cc1nc([C@@H]2CCCNC2)cc(N(C)CCc2ccccc2)n1 67541834 NWJATWMJTVMWKF-QGZVFWFLSA-N 310.445 2.931 0 50 DFAA CC(C)[C@@H](CNC(=O)c1cc(Cl)cn1C)c1ccnn1C 252506962 WDTIZAWGXMLEEX-GFCCVEGCSA-N 308.813 2.582 0 50 DFAA CC[S@](=O)CCc1nc(C(C)C)nn1-c1ccccc1OC 65395461 RYONNFLNWMMOGN-JOCHJYFZSA-N 321.446 2.710 0 50 DFAA C[C@H](NC1CCN(CCc2ccccc2)CC1)[C@@H]1CCCO1 121722404 LAUSQEGNZKVTTA-LPHOPBHVSA-N 302.462 2.851 0 50 DFAA CCc1ccnc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 282489862 JRAFNLIUKPZJRG-WBVHZDCISA-N 314.360 2.731 0 50 DFAA C[C@@H](O)CN1C(=O)CS[C@@H]1c1cccc(C(F)(F)F)c1 4110157 QRRWNECGAUWZFU-PRHODGIISA-N 305.321 2.660 0 50 DFAA CC(=O)N1CCN(CCc2scnc2C)CC12CCCCC2 253418430 WCYKXCVYYUFKJE-UHFFFAOYSA-N 321.490 2.861 0 50 DFAA CC(=O)c1ccc(NC(=O)NC[C@@](C)(O)c2cccs2)cc1 153346018 GYOKIFPQGWOQAS-MRXNPFEDSA-N 318.398 2.980 0 50 DFAA Cc1cc(CCNC(=O)N2Cc3ccccc3OC[C@@H]2C)on1 367911597 NQSPINUFPKHLNO-ZDUSSCGKSA-N 315.373 2.518 0 50 DFAA CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)C[C@@H]1O 332160024 QQJJENFSYNOIPF-WOPDTQHZSA-N 322.371 2.766 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1cccc2[nH]cnc12 157372052 NEDZHYACQJBIMZ-UHFFFAOYSA-N 304.313 2.600 0 50 DFAA Cc1occc1CN(C)C(=O)c1cn(C2CC2)c(C)cc1=O 283065415 PENDBJAFQOWDSV-UHFFFAOYSA-N 300.358 2.665 0 50 DFAA O=C(NCc1c(F)cccc1Cl)N[C@H]1CC12CCOCC2 333819666 JOZPLDIDJCNHHE-ZDUSSCGKSA-N 312.772 2.847 0 50 DFAA CN1CCC2(CCN(C[C@]3(c4ccccc4)CCOC3)CC2)C1 215186487 XWFCJVWEDMVNIY-HXUWFJFHSA-N 314.473 2.762 0 50 DFAA CCCc1cc(C(=O)NC[C@@H](C)Oc2cccc(C)c2)n[nH]1 607935361 QTHVPBJZTFULTO-CYBMUJFWSA-N 301.390 2.868 0 50 DFAA COc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1O 245716807 CWVZCRJYASJZRW-DZGCQCFKSA-N 301.390 2.680 0 50 DFAA CSc1cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)ccn1 177900646 QQKWXSLUUMFMPU-HIFRSBDPSA-N 308.447 2.985 0 50 DFAA CC(C)(C)c1ncc(C(=O)N2CC[C@@H]2c2cccs2)c(=O)[nH]1 82091729 OFNRHVGBGXMFAR-LLVKDONJSA-N 317.414 2.716 0 50 DFAA Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1n[nH]c(C)n1)n2C 426690249 HHINASIDIHTYGV-HNNXBMFYSA-N 323.400 2.891 0 50 DFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(O)n1)[C@@H]2C 332498124 FOEGQUIVKIUJCZ-VXGBXAGGSA-N 312.369 2.944 0 50 DFAA CC(C)c1c(C(=O)N2CCC23COC3)cnn1-c1ccccc1 615931850 ITGOUGJMABNEOR-UHFFFAOYSA-N 311.385 2.611 0 50 DFAA CCOCC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2F)c1C 91713485 YSOHHLGODDEFHH-SNVBAGLBSA-N 323.343 2.673 0 50 DFAA CCN1CCC(Cc2nc(-c3ccc4[nH]cnc4c3)no2)CC1 96137188 MJOZJYGJNXWALP-UHFFFAOYSA-N 311.389 2.887 0 50 DFAA Cc1csc(CCCNC(=O)[C@H]2CCCN(C(C)C)C2)n1 95530808 SWLMJEDMTHIOEP-AWEZNQCLSA-N 309.479 2.621 0 50 DFAA Cc1nc2ccc(NC(=O)C(C)(C)c3c(C)noc3C)cn2n1 295251053 FXBSNTBXROTFGF-UHFFFAOYSA-N 313.361 2.559 0 50 DFAA Cc1cccc2[nH]c(CCN(C)CCN3C[C@H]4CC[C@@H]3C4)nc12 244715756 LBPKNGVOYRSTQL-JKSUJKDBSA-N 312.461 2.830 0 50 DFAA O=C(c1cc(C(F)(F)F)ccc1F)N(C1CC1)C1COC1 295531640 BUNFAIORSIFSQZ-UHFFFAOYSA-N 303.255 2.848 0 50 DFAA O=C(CCCn1cccc1)N1CCC[C@H]1c1nnc2ccccn12 604418920 VNFKUPKGQPQZOQ-HNNXBMFYSA-N 323.400 2.675 0 50 DFAA CCCSCCNC(=O)N(C)Cc1n[nH]c2c1CCCC2 534587872 URKQGOSNZAYLPC-UHFFFAOYSA-N 310.467 2.573 0 50 DFAA Fc1ccc(N2CC[C@@H](NCC3(Cn4ccnc4)CC3)C2)cc1 534664772 VAIIJGXJZMTSML-MRXNPFEDSA-N 314.408 2.671 0 50 DFAA Fc1ccc(OC[C@@H]2CCCO2)c(-c2cnc3n2CCOC3)c1 623284262 AWCALELBKYCPTD-ZDUSSCGKSA-N 318.348 2.777 0 50 DFAA COc1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)ccc1O 281748654 HQIRPFJIGFKHHV-HNNXBMFYSA-N 314.385 2.512 0 50 DFAA O=C(NCc1ccon1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299765011 YOPOHJVGURZLMJ-BBWFWOEESA-N 311.385 2.516 0 50 DFAA O=C1CCCCN1CCNc1nnc(-c2ccccc2)s1 828263761 IKOSGZVOLZBQFZ-UHFFFAOYSA-N 302.403 2.630 0 50 DFAA Cc1noc(CCCNC(=O)N2CCc3c(Cl)cccc32)n1 268246056 SAKDVDJHXKECTD-UHFFFAOYSA-N 320.780 2.736 0 50 DFAA Cc1c(F)cccc1C(=O)N1CCCN(C(=O)C2CCC2)CC1 939971467 QLIXCKXVVPHQGT-UHFFFAOYSA-N 318.392 2.609 0 50 DFAA O=C(O)c1cc(Cl)c(I)cc1F 1875391748 SJOAOVCMJDGYNS-UHFFFAOYSA-N 300.454 2.782 0 50 DFAA C=CC(=O)N1CCC(C(=O)NC(C)(C)c2cccc(C)c2)CC1 1875365756 WBXRXJNPWUSAEZ-UHFFFAOYSA-N 314.429 2.771 0 50 DFAA COCCCN(Cc1ccc(OC)cc1)C(=O)c1cscn1 952979597 ONXHIPCXXKFWTJ-UHFFFAOYSA-N 320.414 2.831 0 50 DFAA Cc1cncc(C(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)c1 886562508 BISPOZMPSXUXBN-AWEZNQCLSA-N 324.302 2.872 0 50 DFAA CC1(C)CCC[C@H](CNC(=O)c2ccccc2-n2cccn2)O1 890135623 KSPNOQFEKGWQCA-CQSZACIVSA-N 313.401 2.950 0 50 DFAA CCn1nccc1C(=O)Nc1c(C)cc(Cl)cc1C(=O)OC 1411524627 BFFQICONNZSVTO-UHFFFAOYSA-N 321.764 2.904 0 50 DFAA CC[C@@]1(O)CCCN(C(=O)c2c(Cl)ccc3c[nH]nc23)C1 1775998943 LFCQMAQKJJWDCJ-OAHLLOKOSA-N 307.781 2.593 0 50 DFAA Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)n1 167396704 XVAPZAHEIGRULZ-QAPCUYQASA-N 324.380 2.894 0 50 DFAA Cc1ccnc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)n1 275522871 DFNKIHPPUOLLES-KRWDZBQOSA-N 311.433 2.671 0 50 DFAA c1nc([C@@H]2CCCO2)sc1CNc1nnc(CC2CC2)o1 170068217 XHUZFHQNZDUTTG-NSHDSACASA-N 306.391 2.942 0 50 DFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccoc2)C1 190544499 BENGITFPOPAQAK-CYBMUJFWSA-N 319.430 2.639 0 50 DFAA C[C@@H](CC1CCCC1)C(=O)Nc1cnn(Cc2cnn(C)c2)c1 585089544 WFBDUTZZTQOYSH-ZDUSSCGKSA-N 315.421 2.820 0 50 DFAA O=C(c1ncc(F)cc1F)N1CCC(Nc2nccs2)CC1 192216311 RWCUEMUFCDNZTE-UHFFFAOYSA-N 324.356 2.533 0 50 DFAA COC(=O)c1cccc(CNC(=O)[C@H]2CCCc3cccnc32)c1 194681841 CBWXIXQHTIAPRV-INIZCTEOSA-N 324.380 2.605 0 50 DFAA CCC1(CC)CN(Cc2ccc(O)c(OC)c2)CC[S@@]1=O 194995000 KBSHVPWXRGXQBX-NRFANRHFSA-N 311.447 2.524 0 50 DFAA CCc1ccnc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)c1 653327974 BWEIXAAAPGMBBI-GJZGRUSLSA-N 310.353 2.687 0 50 DFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(Cc2csc(C3CC3)n2)C1 779898087 BAPHJPRVYLZYBU-CHWSQXEVSA-N 320.418 2.674 0 50 DFAA O=C(O)CCC1CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506397110 YWVACTPALWAKOS-KRWDZBQOSA-N 302.418 2.842 0 50 DFAA CN(C)c1cccc(CNc2cncc(Br)c2)n1 301847182 NEJVPDGYXBPEIL-UHFFFAOYSA-N 307.195 2.917 0 50 DFAA CC(C)ONC(=O)Nc1cccc(I)c1 5384489 SCEAECGATUWSMR-UHFFFAOYSA-N 320.130 2.753 0 50 DFAA O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cccnc1 12716001 BHVFIIIAAKLUDA-KRWDZBQOSA-N 301.434 2.856 0 50 DFAA O=C(Cc1ccccc1)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 14961058 YTCNPWNYOBAZHR-QGZVFWFLSA-N 314.429 2.527 0 50 DFAA O=C(COc1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1 19373462 WATJKFLTIDTGCA-KRWDZBQOSA-N 314.429 2.566 0 50 DFAA CN(CCc1ccccc1)[C@@H]1CCCN(Cc2nccn2C)C1 19850556 YCFGJUWCHRSHJE-GOSISDBHSA-N 312.461 2.559 0 50 DFAA COc1cc(=O)n2c(c1C(=O)Nc1ccccc1F)CCCC2 169752760 HMPBHKSKGHQMKY-UHFFFAOYSA-N 316.332 2.585 0 50 DFAA COC(=O)[C@H]1CCc2nnc(CCCc3ccccc3)n2CC1 601044834 RMDAGKPEZAVJDS-HNNXBMFYSA-N 313.401 2.579 0 50 DFAA O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)[C@@H]1CCCCO1 331062172 CPSUZYVIUXKAMP-RYUDHWBXSA-N 318.200 2.712 0 50 DFAA CC[C@@H](C)[C@H](NC(=O)N1CCC(C(=O)OC)CC1)C(F)(F)F 334102886 GFFGNIIVLMFARF-KOLCDFICSA-N 324.343 2.558 0 50 DFAA COc1ccc([C@H]2COc3cc(O)ccc3C2)c(O)c1OC 14758734 NQRBAPDEZYMKFL-LLVKDONJSA-N 302.326 2.834 0 50 DFAA endogenous,in-man O=c1c(=Cc2ccc(F)cc2)sc2nc(-c3ccccc3)nn12 254398444 CWKZKXXGUWOAGT-UHFFFAOYSA-N 323.352 2.505 0 50 DFAA CCc1ccc([C@@H]2CCCCCN2CCN2C(=O)CCC2=O)o1 157303133 ZLGVYFFWYRBSLN-HNNXBMFYSA-N 318.417 2.908 0 50 DFAA CN(Cc1ccc(OC(F)F)cc1)C(=O)COc1cccnc1 263908147 LEMPGVACVQMDES-UHFFFAOYSA-N 322.311 2.720 0 50 DFAA O=C1CS[C@]2(C(=O)Nc3ccccc32)N1c1cccc(F)c1 51704 YEZWAPGEWKTZQM-MRXNPFEDSA-N 314.341 2.711 0 50 DFAA Cc1cc(Br)cc(C)c1OCC(=O)NC(C)C 131500 TVPONJATVCUBRB-UHFFFAOYSA-N 300.196 2.969 0 50 DFAA COc1cc(CN[C@H]2CCCC[C@H]2OC)cc(OC)c1OC 267277 CNRAIZKPBXFGHK-UONOGXRCSA-N 309.406 2.760 0 50 DFAA biogenic,in-vitro Cc1csc(NC(=O)CSCC(=O)Nc2ccccc2)n1 528892 RGVUYYACXOCIBK-UHFFFAOYSA-N 321.427 2.762 0 50 DFAA Cc1cc(C)nc(NC(=S)Nc2ccc3c(c2)OCO3)n1 612099 SHFHRFWRTDKMHQ-UHFFFAOYSA-N 302.359 2.631 0 50 DFAA CCOc1cc(C)c(S(=O)(=O)NCc2ccco2)cc1C 2881774 SOUSHSIVYXCIPE-UHFFFAOYSA-N 309.387 2.774 0 50 DFAA O=C(CCc1ccccc1)NCc1nc(-c2ccccc2)no1 4838356 DVFJVWLWCZBGGJ-UHFFFAOYSA-N 307.353 2.986 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 4977091 LIYLJNBJINZAQS-SNVBAGLBSA-N 310.781 2.544 0 50 DFAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(N3CCCC3)s1)C2 102869160 YZNCXOSMCISOMW-FOLVSLTJSA-N 320.506 2.515 0 50 DFAA C[C@H](Sc1nncn1C)C(=O)Nc1nc2ccccc2s1 10230979 DZSIKSSEMIBAMT-QMMMGPOBSA-N 319.415 2.544 0 50 DFAA COc1ccc(COC(=O)c2ccc(-c3ncn[nH]3)cc2)cc1 225390022 JKGZGRXUCAZNQY-UHFFFAOYSA-N 309.325 2.837 0 50 DFAA CCc1cc(=O)n2nc(C)c(-c3ccc(OC)c(OC)c3)c2[nH]1 8767454 FKDLKSIETGNVCT-UHFFFAOYSA-N 313.357 2.578 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)Cn1oc2ccccc2c1=O 225793266 CABJQPSRTILKER-LBPRGKRZSA-N 308.337 2.572 0 50 DFAA Cc1ccn2c(=O)c(NC(=O)c3ccccc3Cl)cnc2c1 9029300 PPPVKBMNDICAKF-UHFFFAOYSA-N 313.744 2.909 0 50 DFAA CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341439 MPLNDYSEUSDKTJ-CYBMUJFWSA-N 320.408 2.983 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc2c1OCCO2 248611609 XOFHIPOYWKVBAU-SNPRPXQTSA-N 317.385 2.676 0 50 DFAA CCCN1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 20856644 BJKQXGFNBICWFO-ZDUSSCGKSA-N 308.447 2.767 0 50 DFAA Cc1noc([C@@H](NC(=O)COc2ccc(Cl)cc2)C(C)C)n1 112027110 OMXLKENRFNCUMS-AWEZNQCLSA-N 323.780 2.924 0 50 DFAA Cc1nc(C(=O)NCCc2nc3ccccc3[nH]2)c(C)s1 178987818 IIJNXNBHWCMHCO-UHFFFAOYSA-N 300.387 2.609 0 50 DFAA COC(=O)c1ccccc1OCc1cc(C=O)ccc1OC 2557867 BLQPJLPCCQJARZ-UHFFFAOYSA-N 300.310 2.873 0 50 DFAA Cc1cccc(C[C@H](CO)NC(=O)c2cc[nH]c2C2CCC2)c1 487431495 QDDVIBYQBWUQQI-MRXNPFEDSA-N 312.413 2.924 0 50 DFAA C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](c2cccc(O)c2)C1 126764329 SGWNETLXKYFYHE-ABAIWWIYSA-N 315.373 2.787 0 50 DFAA CCc1nc(CC(=O)Nc2ccccc2CC(=O)O)cs1 237039496 ADWDRMJZIUMEBB-UHFFFAOYSA-N 304.371 2.514 0 50 DFAA CSCC[C@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 237307851 GEKRJNOPTLMHTE-ZLDLUXBVSA-N 310.438 2.611 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2ccc(Cl)cn2)c2ccccc21 132005729 VFBZEJPBFDJJQF-LLVKDONJSA-N 302.717 2.564 0 50 DFAA CC[C@@]1(C(=O)O)CCCN(C(=O)NCc2ccccc2F)C1 219596262 ZDVXDUBJIMFMTF-MRXNPFEDSA-N 308.353 2.612 0 50 DFAA O=C(CCc1cccnc1)N[C@H]1CC[C@H]1NC1CCCCCC1 72143222 CGEANLUIIDKFJQ-MSOLQXFVSA-N 315.461 2.974 0 50 DFAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)NCc1ccc(F)cc1 239338693 KZAMPXOCVULETE-HOTGVXAUSA-N 304.409 2.954 0 50 DFAA CC1(C)CC[C@H]1N[C@H](C(N)=O)c1cccc(Br)c1 284356038 NOZZEVPRLXOPLK-NEPJUHHUSA-N 311.223 2.754 0 50 DFAA O=C(O)C1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 40268600 AZPVFCNAHFLVRI-UHFFFAOYSA-N 320.776 2.618 0 50 DFAA CCn1cc(CCN2CCC(Oc3ccncc3C)CC2)cn1 289343280 GFTCSCLKOYBWCL-UHFFFAOYSA-N 314.433 2.692 0 50 DFAA O=C(NC[C@@H]1CCOC1)c1ccc(-c2cc(F)ccc2O)cc1 426372317 QQTFCKOBNRRHLX-LBPRGKRZSA-N 315.344 2.965 0 50 DFAA Cc1nc(-c2ccccc2)c(C(=O)NC[C@H](N)C2CC2)s1 179576311 HBRBPFVLHSUDHH-ZDUSSCGKSA-N 301.415 2.586 0 50 DFAA Cc1ccc2nc(C(=O)N[C@@H]3COC4(CCCCC4)C3)cn2c1 91663732 HDAJYUHLKODSIR-AWEZNQCLSA-N 313.401 2.864 0 50 DFAA CN(C)[C@H](C(=O)NCCCc1ccncc1)c1cccc(F)c1 95378954 BOTVANYHOMWNLP-KRWDZBQOSA-N 315.392 2.572 0 50 DFAA CC(C)N(C)c1ccc(CN2CC[C@@]3(CCCN(C)C3)C2)cn1 293784899 ZOEBLTBIYRTKQN-LJQANCHMSA-N 316.493 2.844 0 50 DFAA Cc1cc(C(F)(F)F)cc(=O)n1[C@@H](C)C(=O)N1CCCCC1 95377851 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316.323 2.543 0 50 DFAA Cc1csc(Nc2ccc(C(=O)N[C@H]3CCC[C@@H]3O)cc2)n1 634414939 YTQUEWNAXYDTNU-KBPBESRZSA-N 317.414 2.838 0 50 DFAA COc1cccc(OC)c1C(=O)N[C@H](C)c1csc(C)n1 170524789 HQNVXRYQMBCTQL-SECBINFHSA-N 306.387 2.960 0 50 DFAA Cc1ccc(CNC(=O)N(C)CC2CC(O)C2)c(OC(C)C)c1 170604322 FQEVYXBNVVBVNH-UHFFFAOYSA-N 320.433 2.695 0 50 DFAA CC(=O)c1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1 280496766 OZVGNMOXUCLCTJ-KDURUIRLSA-N 321.424 2.852 0 50 DFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)C1=COCCO1 189853176 KTVLWGAQMQEZBB-UHFFFAOYSA-N 301.264 2.518 0 50 DFAA COc1cc(NC(N)=O)c(Br)cc1Br 189960023 KZTHGPXSMUXORP-UHFFFAOYSA-N 323.972 2.711 0 50 DFAA CCCn1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cn1 190198830 CHBGLYXRRRWZCH-RDJZCZTQSA-N 313.401 2.801 0 50 DFAA O=C(N[C@@H](CCCO)c1ccccc1)N[C@H](C(F)F)C1CC1 585081537 ALNFWDBCPKPTDK-KBPBESRZSA-N 312.360 2.843 0 50 DFAA CO[C@H](CNCc1nncn1-c1ccccc1)Cc1ccccc1 585116768 HSXRYQCBLOIROJ-SFHVURJKSA-N 322.412 2.615 0 50 DFAA C[C@@H]1OCCC[C@H]1C(=O)Nc1ccnn1-c1cccc(F)c1 191953049 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CCOC(=O)c1sc(NC(=O)c2c(CC)noc2C)nc1C 13746947 FYNRDWZUHFJWEM-UHFFFAOYSA-N 323.374 2.739 0 50 DFAA CC1CCN(C(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)CC1 14882372 YRDPCOFEVNXXSH-INIZCTEOSA-N 304.365 2.772 0 50 DFAA Cc1ccc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)o1 19222021 BAMWHMZVECOOOC-INIZCTEOSA-N 318.417 2.558 0 50 DFAA CN1CCO[C@@H](CNc2ncc(-c3ccc(Cl)cc3)s2)C1 413104184 MAUZPEXXECPPTR-ZDUSSCGKSA-N 323.849 3.206 0 50 DFAA COc1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)O)cc1F 237173940 XGNHKWZYRMKMKB-ZDUSSCGKSA-N 323.364 2.623 0 50 DFAA O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)[C@]1(O)CCOC1 333937259 LKLFQLBBJAATPG-LXZKKBNFSA-N 323.820 2.634 0 50 DFAA N[C@@H]1CC[C@H]2CN(c3noc4ccc(Br)cc34)C[C@@H]12 333918506 OHKJMOKMGFZBQV-XXILOJSOSA-N 322.206 2.764 0 50 DFAA CC(C)[C@H](N)c1noc(-c2cnc(O)c(C(F)(F)F)c2)n1 904500925 UIMFFIUHPBNRND-QMMMGPOBSA-N 302.256 2.512 0 50 DFAA CN(CCc1ccccn1)C(=O)COc1ccc(Cl)cc1 316731 QJIULXXYDICSGO-UHFFFAOYSA-N 304.777 2.815 0 50 DFAA COc1ccc([C@@H]2[C@H]3COC(C)(C)CC3=NN2C(C)=O)cc1 379358 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DFAA Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)nn(C)c2C)on1 53401219 SVTLDMWTSXPRRI-HNNXBMFYSA-N 316.405 2.630 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]12 101870110 SVIFOOJWTFVDDS-ZSOGYDGISA-N 312.335 2.585 0 50 DFAA Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccnc3)[nH]2)cc1 117799821 QLHKTJBTTZSYTH-LBPRGKRZSA-N 323.356 2.581 0 50 DFAA CCn1cc(CCN2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 348318185 OSFDXYNQVNPDKB-RHSMWYFYSA-N 321.371 2.532 0 50 DFAA Cc1c(C(=O)N2CCc3cnccc32)c(O)nc2ccccc12 121650750 FYZKEYZKSUCOLZ-UHFFFAOYSA-N 305.337 2.847 0 50 DFAA COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(C)=O 490756 SJMXPJVQCGHRGM-KBAYOESNSA-N 303.402 2.910 0 50 DFAA biogenic Cc1cccc(Cn2nc(C)c(NC(=O)c3ccnn3C)c2C)c1 2785571 ARUBWNZHZDKRLF-UHFFFAOYSA-N 323.400 2.842 0 50 DFAA C[C@H]1CCCC[C@H]1OCC(=O)NC1[C@H]2CCC[C@H]1CC(N)C2 261703151 UGZFQTWYLGGNCC-XMRAQDMXSA-N 308.466 2.604 0 50 DFAA O=C(c1csc(O)n1)N1C[C@H]2CCCCN2c2ccccc21 329306041 PBSUAVNAJCIHMU-LLVKDONJSA-N 315.398 2.868 0 50 DFAA 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C[C@H]1CCN(C(=O)Nc2ccc[n+]([O-])c2)[C@H](c2ccco2)C1 952880974 PNBDDKJLDLRJBJ-JSGCOSHPSA-N 301.346 2.918 0 50 DFAA CCC1=C(C(=O)N2CCO[C@@H](C(F)(F)F)CC2)CCCO1 874546057 ZGDHFJGXLNLQNV-GFCCVEGCSA-N 307.312 2.641 0 50 DFAA O=C(O)COc1cccc(C(=O)N[C@H]2CCC=CCCC2)c1 1875272684 MHFWUJAMOBGUDQ-AWEZNQCLSA-N 303.358 2.769 0 50 DFAA COc1cccc(C)c1C(=O)NCc1snnc1C(C)C 952975321 PJXHXENKBJRZNF-UHFFFAOYSA-N 305.403 2.909 0 50 DFAA O=C1CCC[C@H](C(=O)Nc2ccccc2N2CCCCCC2)N1 270322232 VLHSESPOTLCEDI-OAHLLOKOSA-N 315.417 2.674 0 50 DFAA CC(=O)N1CC[C@H](CN(C)[C@@H](C)CCc2cccc(F)c2)C1 221786789 HNTZTDAEGXXAMI-WMLDXEAASA-N 306.425 2.947 0 50 DFAA CCc1nnc(CN2CCC[C@H]2c2ccccc2OC)n1C 170785730 TWQYIKXLVYWXJN-AWEZNQCLSA-N 300.406 2.723 0 50 DFAA CSCc1cccnc1C(=O)N=c1nc(C2(C)CC2)[nH]s1 600227827 NNUKLGGGFXUHGU-UHFFFAOYSA-N 320.443 2.522 0 50 DFAA O=C(O)c1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)o1 191566649 LQHCCUVZXBMMBU-UHFFFAOYSA-N 303.289 2.922 0 50 DFAA CCC1(CC)[C@@H](N(C)C(=O)c2cc(C(=O)O)co2)C[C@H]1OC 191672061 ZSIYXENKXBSJCU-QWHCGFSZSA-N 309.362 2.644 0 50 DFAA Cc1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c(N(C)C)n1 773475648 PTUKEPDMLUSSDW-SNVBAGLBSA-N 315.421 2.928 0 50 DFAA CC(=O)c1cnc(NCC2CCN(CC3CC3)CC2)nc1C 1772704054 LTZUYHLRAGYZFY-UHFFFAOYSA-N 302.422 2.522 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)ccn1 5508700 XQKQWJFFTCHTDP-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA O=C(O)c1cc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1Cl 13603387 GWCWRRPHCPTGIU-UWVGGRQHSA-N 307.733 2.718 0 50 DFAA CCS(=O)(=O)c1ccc(NCCc2ccncc2C)cc1 225521869 ZCYVQWGOROINHM-UHFFFAOYSA-N 304.415 2.838 0 50 DFAA Cc1ccccc1C[C@H](CO)NC(=O)Cc1c[nH]c2ccccc12 252496454 PITTYFZOAJSVBO-QGZVFWFLSA-N 322.408 2.739 0 50 DFAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1ccc(Cl)cc1-n1cccc1 931972345 XLJINVUHJOUNOC-NHYWBVRUSA-N 320.776 2.873 0 50 DFAA Cn1ccnc1[C@@H]1CCN(C[C@@H](O)c2cccc(Cl)c2)C1 846835692 NBHTYNNAXXRBCX-UKRRQHHQSA-N 305.809 2.596 0 50 DFAA Fc1c(F)c(F)c(-n2c[n+]3c(n2)CCCCC3)c(F)c1F 1848349966 XDQCPZYNFQLPPV-UHFFFAOYSA-N 304.242 2.582 0 50 DFAA OCCn1cnc(CN2CC=C(c3ccccc3Cl)CC2)c1 2325806114 VMXMYXQVADMBGS-UHFFFAOYSA-N 317.820 2.818 0 50 DFAA O[C@@H]1c2ccccc2OC[C@H]1NCc1cccc(-c2cn[nH]c2)c1 2325854310 XHKMOGMTVNHPLM-IEBWSBKVSA-N 321.380 2.661 0 50 DFAA CC(C)Cc1cc(=NCc2cccc3cccnc23)[nH]c(=N)[nH]1 2325857341 YBURZXGSIJRONG-UHFFFAOYSA-N 307.401 2.670 0 50 DFAA O=C(NC1CCCCC1)N1CCN(c2ccccc2F)CC1 281026 IPGAWFKUSXMVHC-UHFFFAOYSA-N 305.397 2.990 0 50 DFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccccc1 2477283 JEUQSVWLOPCDJW-HNNXBMFYSA-N 312.394 2.806 0 50 DFAA O=C(O)c1c(N2CC[C@H](n3ccnc3)C2)noc1-c1ccccc1 2356143024 RDRLOJMUVUWVCH-ZDUSSCGKSA-N 324.340 2.688 0 50 DFAA Cn1cnnc1SCC(=O)Nc1c(Cl)cccc1Cl 3525569 SCBQAUVYPMHXPS-UHFFFAOYSA-N 317.201 2.853 0 50 DFAA COc1ccc2nc(SCc3cnc(C)nc3N)[nH]c2c1 4036924 SRQBGSJZYYQRJP-UHFFFAOYSA-N 301.375 2.544 0 50 DFAA CCOc1c(Br)cc(CNCCOC)cc1OC 6702619 NCPNJANRQJBUTQ-UHFFFAOYSA-N 318.211 2.592 0 50 DFAA CCCn1c(SCC(N)=O)nnc1-c1csc(C)c1C 6741020 MAQQOKQGXWZOTG-UHFFFAOYSA-N 310.448 2.611 0 50 DFAA CCOc1ccc(OCCSc2nc(C)cc(=O)[nH]2)cc1 8670468 LUAHPDNZYCFEPV-UHFFFAOYSA-N 306.387 2.648 0 50 DFAA Cc1ncc(CN(C)C(=O)Cc2noc3ccc(F)cc23)s1 414957951 RKGOEAGSFUMBSD-UHFFFAOYSA-N 319.361 2.933 0 50 DFAA C[C@@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1ncn[nH]1 55361134 DVMUNGJDPYIYGP-ZUUKRORTSA-N 302.422 2.979 0 50 DFAA COC(=O)[C@H]1CCN(C(=O)c2cc[nH]c2C(C)C)[C@H]1C(C)C 345156762 XRRUMZHCGMBHOF-ZFWWWQNUSA-N 306.406 2.798 0 50 DFAA CC1CCC(N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 115566506 BFUNRTPCXUNPHY-NKELODKYSA-N 302.462 2.916 0 50 DFAA C[C@H](c1cnccn1)N(C)[C@H]1CCCN(c2ccccc2)C1=O 248606435 FVMVHYAYLFQWKQ-PBHICJAKSA-N 310.401 2.665 0 50 DFAA CCCCn1cc(C2=CCN(Cc3nnc(C)o3)CC2)cn1 67714284 WTGMUFDYFINOGA-UHFFFAOYSA-N 301.394 2.664 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc2c1OCO2 249693069 NNAZCPAYBQNHCJ-HUUCEWRRSA-N 316.401 2.504 0 50 DFAA C1=CC[C@@H](c2cn(Cc3nc(-c4ccccc4)n[nH]3)nn2)CC1 67678088 BRKIAZOSSAWXNC-CYBMUJFWSA-N 306.373 2.935 0 50 DFAA Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3cncn3)C2)c1 229437981 NGMAKEAMIBZGGZ-IKGGRYGDSA-N 310.401 2.554 0 50 DFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2ccccc2F)C[C@@H](C)O1 229518544 LMZXRVNJDLHLQK-QLFBSQMISA-N 320.408 2.540 0 50 DFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@H]2CCNC3(CCCCC3)C2)[C@H]1C 316544982 OTYUMSCUCJLADP-ARKGTOAJSA-N 308.466 2.617 0 50 DFAA CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1 315706 AKLTUAUOGNRRLK-UHFFFAOYSA-N 323.400 2.587 0 50 DFAA CCOC(=O)[C@H](C)Oc1ccc2oc(C)c(C(=O)OC)c2c1 407223 FFYHENMVSAUXCM-JTQLQIEISA-N 306.314 2.858 0 50 DFAA biogenic CNc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)n1 71754762 KSLRVGMYHWAEEH-HNNXBMFYSA-N 312.417 2.966 0 50 DFAA CCn1ccnc1[C@@H](NCc1cscn1)C1CCOCC1 328895547 BKWLATPGDBEGHS-AWEZNQCLSA-N 306.435 2.617 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@H](C)N[C@@H](C)C1 153632106 BYNBFGQNAIDCLC-QWRGUYRKSA-N 301.365 2.505 0 50 DFAA Cc1ccc2nc(N3CCN(C)CC3)c(-c3noc(C)n3)cc2c1 33318183 PNDNFGDZIAUVLB-UHFFFAOYSA-N 323.400 2.653 0 50 DFAA CCCn1nccc1C(=O)N(C)Cc1cccc(-n2cccn2)c1 77341819 MLXGFLJEYUYPHA-UHFFFAOYSA-N 323.400 2.751 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1CC(=O)O 237375652 JEYFFZLYUVWBBX-DOMZBBRYSA-N 305.374 2.848 0 50 DFAA Cc1cc(C(=O)N[C@@H](C)CCc2cccn2C)nn1C(C)C 449948755 CMJFOVLHTYZYRI-ZDUSSCGKSA-N 302.422 2.862 0 50 DFAA CCn1cc(CCN[C@H](C)c2ccccc2-n2cccn2)cn1 375697101 KCOHHLWCJBPDHN-OAHLLOKOSA-N 309.417 2.982 0 50 DFAA Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(C(F)(F)F)nn1 378366741 YZPMSDXYRXHBMG-NSHDSACASA-N 311.311 2.879 0 50 DFAA Cc1nccn1-c1ccc(NC(=O)c2c(O)cccc2F)cn1 130944749 BZZVBTXBZCNOBJ-UHFFFAOYSA-N 312.304 2.673 0 50 DFAA C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccnc2Cl)CCC[C@H]1C 241630909 PMIUXZUZSJTYLS-MDZLAQPJSA-N 324.808 2.833 0 50 DFAA Cc1csc([C@H](C)C(=O)N[C@H](CO)c2ccccc2C)n1 613218774 PGTVDTKVFJWVHM-TZMCWYRMSA-N 304.415 2.713 0 50 DFAA O=C(C(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1)N1CCCC1 222325906 WLJDWVQITIUVQB-AWEZNQCLSA-N 320.820 2.668 0 50 DFAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(c1ccnc(C)n1)CC2 426728219 HIVFCVONPXZUPX-SOLBZPMBSA-N 317.433 2.728 0 50 DFAA Cn1cc(C(=O)O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 20614532 CJYLXIOVVGVBIY-UHFFFAOYSA-N 314.128 2.677 0 50 DFAA O=C(NCCc1ccc[nH]1)[C@@H]1CCN(c2ccccc2Cl)C1 291439489 MGHNOALYFOPLHC-CYBMUJFWSA-N 317.820 2.853 0 50 DFAA CCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C[C@@H]1N 91364902 NOCXRTDPONHCIP-GJZGRUSLSA-N 312.417 2.585 0 50 DFAA CSc1cccc([C@H](C(=O)O)N(C)Cc2ncc(C)[nH]2)c1 95368204 BAOVALHGTXPJEL-CQSZACIVSA-N 305.403 2.698 0 50 DFAA Cc1nc(C)n(CCCNC(=O)C[C@H]2CCc3ccccc32)n1 91663058 VPONPJYCWSUNMP-MRXNPFEDSA-N 312.417 2.521 0 50 DFAA Cc1nc2c(cc1C(=O)N(C)[C@H](C)C1(C)CC1)c(C)nn2C 267672913 AEQFQQCRPXDQDZ-GFCCVEGCSA-N 300.406 2.846 0 50 DFAA C[C@H]1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H](C)O1 180321775 JRPBVLMWYGJZQI-HIRMHNASSA-N 319.445 2.551 0 50 DFAA O=C(CN1CCCCC1=O)N[C@@H]1CCCC[C@H]1c1ccccc1 299786239 PSQXKGSENHJOKY-DLBZAZTESA-N 314.429 2.842 0 50 DFAA COc1ncc(CN2CCCC[C@@H]2CCc2ccccn2)cn1 824851759 CYGQSRDSIRRAPJ-QGZVFWFLSA-N 312.417 2.868 0 50 DFAA Cc1ncc(/C=C\C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)s1 268950862 SWKJWBGZMPMNOI-XVPFFRRHSA-N 320.414 2.709 0 50 DFAA CC(C)(C)OC(=O)c1ccc(CN2CCC[C@@H](CO)C2)s1 864088374 BXKJONGXRIELLP-GFCCVEGCSA-N 311.447 2.908 0 50 DFAA COc1ccc2sc(CN3CC[C@](OC)(C(=O)O)C3)cc2c1 1875283213 JRWZQRSMVWMECY-MRXNPFEDSA-N 321.398 2.585 0 50 DFAA CNC(=O)c1ccc(C)c(NC(=O)COCCCC(C)C)c1 1875292824 UMSRGTSTPRZUEO-UHFFFAOYSA-N 306.406 2.746 0 50 DFAA Cn1nccc1NC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 1875289443 SJTDKCDVXJGKBU-AWEZNQCLSA-N 324.306 2.946 0 50 DFAA O[C@@H](COc1ccc2cc[nH]c2c1)CSc1nncs1 1875320175 JZCAIJBJTHWMRO-JTQLQIEISA-N 307.400 2.551 0 50 DFAA COCC1(c2noc(-c3cnc4[nH]ccc4n3)n2)CCCCC1 1875305364 BLMVOJUJXZQNHD-UHFFFAOYSA-N 313.361 2.856 0 50 DFAA COC[C@@H](O)CN[C@H](Cc1ccccc1Cl)c1ccoc1 888099220 XEKMLZXWAJVPGO-GOEBONIOSA-N 309.793 2.814 0 50 DFAA Cc1csc(C(=O)NC[C@@]2(c3ccccc3)CCCO2)n1 1772036340 ROKJNACHCHPFSQ-MRXNPFEDSA-N 302.399 2.887 0 50 DFAA O=C(c1cc2n(n1)CCC[C@H]2O)N1CCC[C@H]1C1CCCC1 1361885897 QJDQEGJEIRWBGC-GOEBONIOSA-N 303.406 2.505 0 50 DFAA CC(C)(C)OC(=O)Nc1ccoc1C(=O)NC[C@@H]1CCCOC1 408520016 MENLRLVKCYYUOL-NSHDSACASA-N 324.377 2.783 0 50 DFAA Cc1nnc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)s1 273705878 PIGNRFUFUSLQFI-QMMMGPOBSA-N 319.386 2.758 0 50 DFAA Cc1nc(CCNc2cc(N3CCCC3)ncn2)sc1C 277922374 VTIUKUCLLMVVPC-UHFFFAOYSA-N 303.435 2.805 0 50 DFAA Cc1cc(NC(=O)Cc2c[nH]c3ncccc23)ccc1C(=O)O 170591069 RGPHDJUQBRSKMA-UHFFFAOYSA-N 309.325 2.751 0 50 DFAA CS(=O)(=O)CCCNc1ccccc1C(=O)C1CCCC1 170669205 WYCTTXJXRQOEPU-UHFFFAOYSA-N 309.431 2.906 0 50 DFAA CO[C@H](C)c1noc(CN2CC(C)(C)OC3(CCCC3)C2)n1 190972975 JWHGISWRNUJUTR-GFCCVEGCSA-N 309.410 2.701 0 50 DFAA O=C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H](C2CC2)C1 585126327 WPNIDVIZYWYVJR-LLVKDONJSA-N 315.266 2.827 0 50 DFAA Nc1ccc(O)cc1C(=O)N1CCOc2ccc(Cl)cc2C1 1506416031 CXESSPULSCSCME-UHFFFAOYSA-N 318.760 2.663 0 50 DFAA c1ccc(N2CC[C@@H](NCc3ccccc3-n3cncn3)C2)cc1 1506404160 VRUQMJYAXMLQFI-QGZVFWFLSA-N 319.412 2.636 0 50 DFAA Cc1ccc([C@@H](NC(=O)c2nccn2C)c2cccnc2)c(C)c1 1506425702 QXJYTOXRLKCYSN-KRWDZBQOSA-N 320.396 2.951 0 50 DFAA O=C(Cc1ccccc1F)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 216540750 YVXUHECXLJICHB-RDJZCZTQSA-N 316.420 2.701 0 50 DFAA O=C(O)[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccc(F)cc1 216682866 UPWWOSXMTDZRDN-CABCVRRESA-N 305.349 2.643 0 50 DFAA OCCCN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704343823 ZWHYWWQXTHBOLF-FQEVSTJZSA-N 323.440 2.806 0 50 DFAA Cc1cccc(C(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1N 1615055943 FVVHHYVHMHGKNU-MNOVXSKESA-N 316.323 2.759 0 50 DFAA COC[C@H]1CCCCN1C(=O)c1ccnc(C2CCCC2)n1 1615003624 YTSZBQLBPARHDR-CQSZACIVSA-N 303.406 2.775 0 50 DFAA CCn1cc([C@@H]2OCCC[C@H]2NCc2cncc(Cl)c2)cn1 1615572853 BWUMUBFQZIFMBP-CVEARBPZSA-N 320.824 2.961 0 50 DFAA C[C@H](O)CONC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 1615586567 OPTHOHULKTUBEU-UONOGXRCSA-N 315.369 2.869 0 50 DFAA C[C@H]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)[C@H](C(N)=O)C1 1616036191 PHXZGGIDDZONLJ-CBAPKCEASA-N 321.730 2.844 0 50 DFAA O=C(CCC(F)(F)F)N[C@H]1CC(=O)N(C2CCCCCC2)C1 14951205 QZRDPBARTNVDCR-NSHDSACASA-N 320.355 2.769 0 50 DFAA C[C@@H]1CN(C[C@@H](O)COc2ccccc2C(C)(C)C)C[C@@H](C)O1 19781651 HEIQUICBMLVKRZ-BZUAXINKSA-N 321.461 2.833 0 50 DFAA Oc1cccc(C(=S)N2CCN(Cc3ccccc3)CC2)c1 19842645 YAFAIISMUIZKNL-UHFFFAOYSA-N 312.438 2.886 0 50 DFAA Cc1nn(C)c2c1[C@H](NC(=O)c1cc(CC(C)C)on1)CCC2 1857688386 GWAZQFUYJIHKFR-CYBMUJFWSA-N 316.405 2.722 0 50 DFAA O[C@@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@H]1Cc1ccncc1 1857720150 GRBLOFXRLVHXOR-IEBWSBKVSA-N 307.397 2.598 0 50 DFAA O[C@@H]1CCCC[C@H]1n1ncnc1-c1cccc(-c2ncc[nH]2)c1 1857733526 NIUNMQUMGVFOHD-HUUCEWRRSA-N 309.373 2.811 0 50 DFAA CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)O 110296358 RYDIBUVDGHTOPH-VWYCJHECSA-N 309.328 2.971 0 50 DFAA C[C@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CCCCN1 423800017 SEKXRFQCBWRSNF-LJQANCHMSA-N 309.413 2.897 0 50 DFAA CN1CC[C@@H]2CN(Cc3c(Cl)ccc(O)c3Cl)C[C@@H]21 248151465 UHTLAPGHRCIMEO-SKDRFNHKSA-N 301.217 2.835 0 50 DFAA NC(=O)N1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 252498565 REXDEIANUDDMHE-UHFFFAOYSA-N 321.465 2.786 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)n(-c2ccccc2)n1 906513576 OMFBSKKIMOUCEO-WBVHZDCISA-N 311.385 2.934 0 50 DFAA CCN1CCCC[C@@H]1C(=O)NCCc1cnc2ccccc2c1 830900863 CGEVEVKZXYLWOU-GOSISDBHSA-N 311.429 2.768 0 50 DFAA Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cnn(C2CCC2)c1 934651385 SQUSSIAIAYCBCQ-MRXNPFEDSA-N 313.405 2.627 0 50 DFAA COc1ccc(CCN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1OC 4751295 ZLUSDZFWNVWMLV-ULQDDVLXSA-N 319.445 2.872 0 50 DFAA Cc1nn2cccnc2c1-c1ccc(OC[C@@H]2CCCN2)cc1 2100555332 RCVCVXKHYDHROX-HNNXBMFYSA-N 308.385 2.836 0 50 DFAA Cc1cnc(Cl)cc1NC(=O)N=c1ccn(CC2CC2)[nH]1 2325781934 FFVRWGLSOIAUPK-UHFFFAOYSA-N 305.769 2.716 0 50 DFAA Cc1nn(C)c(Cl)c1-c1cn(CCc2ccc(O)cc2)nn1 2325806700 ATZZPBSMPXZQNJ-UHFFFAOYSA-N 317.780 2.589 0 50 DFAA Cc1ccc(C)c(-n2ncc(NC(=O)c3ccnn3C)c2C)c1 151877962 GHKSJGMGOSLDKN-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1sccc1C 70882 NYWBAKMBWPNQGO-LLVKDONJSA-N 304.375 2.500 0 50 DFAA O=C(O)CN1C(=O)c2cccc3c(Br)ccc1c23 174865 FUZPCGIFEUXOPC-UHFFFAOYSA-N 306.115 2.647 0 50 DFAA COc1ccc(CNCc2ccc3c(c2)OCO3)cc1OC 200718 UQORZIHYXFGJRG-UHFFFAOYSA-N 301.342 2.722 0 50 DFAA biogenic COc1cccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c1 240326 TWWIVCBPXLHKHS-GOEBONIOSA-N 301.386 2.786 0 50 DFAA COc1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 432871 KQKMGNASWUYMKD-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA CCOC(=O)COc1c(Cl)cc(C=O)cc1Br 453452 DMCKSYSMZFXHKS-UHFFFAOYSA-N 321.554 2.857 0 50 DFAA CCC[C@@]1(C(=O)O)CN(Cc2c(C)cccc2C)CC[C@@H]1O 2356147128 JBXHLWCILNQOMI-FUHWJXTLSA-N 305.418 2.741 0 50 DFAA O=C(O)Cn1c(/C=C/c2ccccc2)nc2ccccc2c1=O 4954715 LEWHILHHPCTYPQ-ZHACJKMWSA-N 306.321 2.652 0 50 DFAA NC(=O)c1ccccc1NC(=O)CCSc1ccccc1 6282896 JTHFTUNLHSVSOX-UHFFFAOYSA-N 300.383 2.906 0 50 DFAA Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Br 6700269 OPCRIPLNXOELRK-UHFFFAOYSA-N 321.221 2.561 0 50 DFAA Cn1ccc(-c2nc([C@H](c3ccccc3)C3CC3)no2)cc1=O 225554331 LFTINRRXFZLXRE-MRXNPFEDSA-N 307.353 2.977 0 50 DFAA CC(=O)c1ccc(N2CCN(Cc3cccc(O)c3)CC2)cc1 55031474 JFEJVZITZJSRIT-UHFFFAOYSA-N 310.397 2.917 0 50 DFAA O[C@]12CCCC[C@H]1CN(Cc1ccc(-c3cc[nH]n3)o1)CC2 67459302 GYWGVSUJEZRINE-GUYCJALGSA-N 301.390 2.797 0 50 DFAA CCOC(=O)Cn1ccc(-c2cccc(-c3ncccn3)c2)n1 23153551 OITSWMBXGCBMSD-UHFFFAOYSA-N 308.341 2.570 0 50 DFAA COc1cncc(-n2ccnc2-c2ccc(C(=O)O)s2)c1 67641526 UUDVTRBJEATKNT-UHFFFAOYSA-N 301.327 2.703 0 50 DFAA NC(=O)c1cc(NC(=O)C(F)(F)F)c(Cl)cc1Cl 23549837 KIDAVDOLCTWNSE-UHFFFAOYSA-N 301.051 2.593 0 50 DFAA O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1ccccc1Cl 172805176 MAHLNEDNKKECFN-CQSZACIVSA-N 321.852 2.839 0 50 DFAA Cc1cccc(F)c1NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 350810305 HUJOJNNDNVMWGN-ZIAGYGMSSA-N 308.353 2.546 0 50 DFAA Cn1ccnc1-c1ccccc1-c1nc(-c2cccnc2)n[nH]1 65536171 GNJSROBFIMFWLJ-UHFFFAOYSA-N 302.341 2.934 0 50 DFAA C[C@H](Sc1nnc(N)s1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229530396 WHHXWAWABRPFOC-XFWSIPNHSA-N 314.480 2.542 0 50 DFAA Cc1nc(N2CCC[C@@H](C)C2)nc2cc(S(C)(=O)=O)ccc12 67879585 BYWKNGXYSKSLFO-LLVKDONJSA-N 319.430 2.578 0 50 DFAA Cc1ccsc1C(=O)N(Cc1cccnc1)C[C@H]1CCNC1 328627608 GIGUZXPUUGHEBI-HNNXBMFYSA-N 315.442 2.703 0 50 DFAA CCC(CC)n1nccc1C(=O)N1CCC[C@H]1c1ncc[nH]1 329220430 BIVYUUCQTXURPI-ZDUSSCGKSA-N 301.394 2.945 0 50 DFAA O=C(c1cc(-c2ccc(Cl)cc2)on1)N1C[C@@H](F)C[C@H]1CO 332143887 MZTBPFXDUHAISX-RYUDHWBXSA-N 324.739 2.540 0 50 DFAA CCN1CC[C@H](CNC2CCN(CCc3ccccc3)CC2)C1 124177566 YMDGUXUPAUXURQ-LJQANCHMSA-N 315.505 2.625 0 50 DFAA Cc1nc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c[nH]1 12447495 QEBPDGMBLBDQFA-SFHVURJKSA-N 317.408 2.674 0 50 DFAA O=C(N[C@H]1CCCc2c[nH]nc21)N1CCC[C@H](C(F)(F)F)C1 332837154 XLUDRAIDWGOKOJ-QWRGUYRKSA-N 316.327 2.771 0 50 DFAA CN(CCC1CC1)C(=O)c1ccc(-c2nnc(S)o2)cc1 128239752 WXMXYUOHJSNYNS-UHFFFAOYSA-N 303.387 2.897 0 50 DFAA C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@@](C)(C(=O)O)C1 237349483 NBHGDHSZPGBDIS-YVEFUNNKSA-N 307.365 2.718 0 50 DFAA CO[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 129884219 MBSCARRNJGLAHT-QWHCGFSZSA-N 301.308 2.932 0 50 DFAA CCCCn1c(S(=O)(=O)Cc2ncccc2C)nc(C)c1C 283858946 GENFKKMQJBGZGC-UHFFFAOYSA-N 321.446 2.977 0 50 DFAA CC(C)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72144979 HWYWZKYTWAXPDB-KFKAGJAMSA-N 314.429 2.686 0 50 DFAA COc1ccccc1N1CC[C@@H](NC(=O)NC2CCCCC2)C1 130910299 SELAHMKKYKNHNP-OAHLLOKOSA-N 317.433 2.906 0 50 DFAA C[C@@H](NC(=O)NCc1ccncc1)c1ccc(-n2cccn2)cc1 174618377 IPVDRSMFPGBWDF-CQSZACIVSA-N 321.384 2.828 0 50 DFAA O=C(O)[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)s2)CC1 263004717 XPFSDTMVTFZQNO-KYZUINATSA-N 301.795 2.909 0 50 DFAA O=C(O)[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1 263522067 RJUIWJUGTSDBOI-SNVBAGLBSA-N 323.805 2.693 0 50 DFAA O=C(CCOc1ccccc1)NCC1(N2CCCC2)CCCC1 223064833 IBHZVTGXROLEKS-UHFFFAOYSA-N 316.445 2.980 0 50 DFAA COc1ccc(Cl)cc1CN(C)C(=O)NCCSC 426399136 ALTJFDAPXIPSFS-UHFFFAOYSA-N 302.827 2.853 0 50 DFAA COc1ccccc1CCC(=O)N1CC(N2CCCC[C@@H]2C)C1 82108420 MEFMCVSVCPTJIE-HNNXBMFYSA-N 316.445 2.713 0 50 DFAA CCN1CCN(Cc2cc(F)ccc2Br)CC1 230538324 RDYIVUBEYFIZPD-UHFFFAOYSA-N 301.203 2.726 0 50 DFAA N[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1 237842575 CXQQNIYEHQICBU-LBPRGKRZSA-N 308.809 2.835 0 50 DFAA CCc1nnc(CN(CC)C(=O)[C@H](C)n2ccnc2C(C)C)o1 95502016 QJLGIAFSDPRGMT-LBPRGKRZSA-N 319.409 2.562 0 50 DFAA Cc1nn(C)cc1CN(C)C[C@@H]1CCN(Cc2ccccc2)C1 93336744 MWMSWJFWJLSAAY-SFHVURJKSA-N 312.461 2.682 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCC[C@H](c2ncc[nH]2)C1 92071466 ZCXUVFLQWJGMIW-NSHDSACASA-N 307.829 2.739 0 50 DFAA O=C(NCc1nc(C2CC2)n[nH]1)Nc1ccc(F)cc1Cl 296187819 MKWVIULPZCIOSM-UHFFFAOYSA-N 309.732 2.796 0 50 DFAA c1ccc(CCN2CCCN(C3Cc4ccccc4C3)CC2)nc1 244659694 HHIAOMWGHWDMAX-UHFFFAOYSA-N 321.468 2.799 0 50 DFAA CC(C)C(=O)Nc1cc(NC(=O)NCC2(C)COC2)ccc1F 299761132 SATPOEQDMLEISF-UHFFFAOYSA-N 323.368 2.578 0 50 DFAA COc1ccc(OCc2n[nH]c(CN3CCC[C@@H](C)C3)n2)cc1 824684112 QEWGSJDGGNUTMG-CYBMUJFWSA-N 316.405 2.624 0 50 DFAA COc1cccc([C@H]2CCN(Cc3cnc(N)s3)C2)c1OC 670444294 GBRUJGRDBVLHFC-NSHDSACASA-N 319.430 2.732 0 50 DFAA Fc1ccc(OC2CCN([C@@H]3CN4CCC3CC4)CC2)cc1 670472795 FACXKQZAXWGUHZ-GOSISDBHSA-N 304.409 2.763 0 50 DFAA CN(Cc1ccoc1)Cc1ccc(Sc2nncn2C)o1 670437024 RNRWGMLUMUTLHM-UHFFFAOYSA-N 304.375 2.784 0 50 DFAA CO[C@@H]1C[C@@H]2C[C@@H](C(=O)Nc3cc(C(C)(F)F)no3)C[C@@H]21 1875307533 PRPJTBJEGFELRM-QCLAVDOMSA-N 300.305 2.786 0 50 DFAA O=C(N=S1(=O)CCCCCC1)[C@@H]1COC[C@H]1c1ccccc1 1875396607 OIBNJVNYKCHMOY-JKSUJKDBSA-N 321.442 2.985 0 50 DFAA O=C(CCNC(=O)N1C[C@H]2CCC[C@@H]1C2)Nc1ccccc1 1565510388 DZALWBZUJWILOC-DZGCQCFKSA-N 301.390 2.599 0 50 DFAA O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCC[C@@H]1C1CCCC1 1361885904 QJDQEGJEIRWBGC-ZBFHGGJFSA-N 303.406 2.505 0 50 DFAA Cc1cc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c(F)cc1F 393343035 HCIGMQRRJYUAFG-PELKAZGASA-N 322.277 2.767 0 50 DFAA O=C(CC1(O)CCCCC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 408062128 NEMMJJPRJJOKNI-CVEARBPZSA-N 321.392 2.545 0 50 DFAA Cc1ccsc1S(=O)(=O)NC(=O)CC1(C)CCCC1 408445952 DUFAFOXWMIXNID-UHFFFAOYSA-N 301.433 2.832 0 50 DFAA Cc1ccc(CN2CC[C@@H](NC(=O)c3cccs3)C2=O)cc1 170611610 GOAUDHNNIXACCN-CQSZACIVSA-N 314.410 2.587 0 50 DFAA CC1(C)CN(c2ncc(Br)cc2Cl)C[C@@H]1O 279567437 UPSNIMOAAKDDEA-VIFPVBQESA-N 305.603 2.705 0 50 DFAA O=S(=O)(CCCF)N1CCC[C@@H](c2cc(F)ccc2F)C1 188433002 GQGBLIIMEAWJQK-LLVKDONJSA-N 321.364 2.834 0 50 DFAA Cc1cnc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)nc1 679705972 GHLICZXOPGCHFW-UHFFFAOYSA-N 309.348 2.673 0 50 DFAA C[S@@](=O)c1nncn1CCc1cc(Cl)cc(Cl)c1 194605921 YNQQMKFNOMEXHM-GOSISDBHSA-N 304.202 2.565 0 50 DFAA CSC1(CNC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1 195006202 MFGCLTXEQSRMGI-CHWSQXEVSA-N 308.451 2.562 0 50 DFAA CC[C@H](C)c1ccccc1OCC(=O)N(C)Cc1ncon1 1417698059 GTVIOQZGARJYKQ-LBPRGKRZSA-N 303.362 2.621 0 50 DFAA COc1c[nH]c(C(=O)N(Cc2ccsc2)CC(C)C)cc1=O 1506405731 NPSHESNRWGPUFN-UHFFFAOYSA-N 320.414 2.743 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2ccon2)C[C@@H](c2ccccc2)O1 1529110320 LZEKIQVKTYPQOK-CVEARBPZSA-N 300.358 2.913 0 50 DFAA Brc1ccc2c(c1)CN(Cc1c[nH]cn1)CCO2 253393164 VLNIQNVZGYRYMZ-UHFFFAOYSA-N 308.179 2.567 0 50 DFAA CCN(CCC(F)(F)F)C(=O)[C@@H]1NCCOc2ccccc21 1615616206 XRQYASMTHBXCEL-CYBMUJFWSA-N 316.323 2.511 0 50 DFAA Cc1cc(C)c(CNC(=O)N(C)Cc2ccn(C)n2)c(C)c1 1615614387 GURVTOMXNAKCON-UHFFFAOYSA-N 300.406 2.687 0 50 DFAA O=C1CCN(C2CCCC2)CCN1CCOc1ccccc1 12217484 BLFVWUICOAFJHG-UHFFFAOYSA-N 302.418 2.542 0 50 DFAA Cc1cc(O[C@@H](C)C(=O)N2CCCN(C)CC2)cc(C)c1Cl 13323139 XSRJYZPDRGLYQQ-AWEZNQCLSA-N 324.852 2.888 0 50 DFAA O=C(CCC1CCN(C(=O)c2ccoc2)CC1)N1CCCC1 15066520 CEUGBTZETNBFBU-UHFFFAOYSA-N 304.390 2.534 0 50 DFAA O=S(=O)(Cc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 16579487 MMJJKOIIJQLFOY-UHFFFAOYSA-N 323.345 2.539 0 50 DFAA Cc1cccc(N(C(=O)C(C)C)[C@@H]2C=CS(=O)(=O)C2)c1C 16890169 GITHZXRKPJQVGZ-CQSZACIVSA-N 307.415 2.603 0 50 DFAA COC(=O)Cc1occc1C(=O)NC1(c2cccc(F)c2)CC1 225804628 LSMUJCSUUGASMB-UHFFFAOYSA-N 317.316 2.553 0 50 DFAA CNC[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)C1 237189034 TWXKDOLFLTVVIR-STQMWFEESA-N 310.825 2.565 0 50 DFAA C[C@@H](NC(=O)c1ccc(C(=O)O)s1)[C@H]1COc2ccccc21 237523826 MRFZIROFVSSFQH-MWLCHTKSSA-N 317.366 2.741 0 50 DFAA Cc1ccc(C(C)C)c(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 19720463 XTOKLWGMMJVQST-BRWVUGGUSA-N 321.461 2.967 0 50 DFAA Cc1nc(NC(=O)[C@H](C)CN)sc1Cc1ccc(F)cc1 262621775 ZQSPCNWHWWDKJE-SECBINFHSA-N 307.394 2.715 0 50 DFAA CCc1cc(N2CCC(Nc3cc(C)nc(C)n3)CC2)ncn1 267083087 KSTFTLVETUOHGD-UHFFFAOYSA-N 312.421 2.527 0 50 DFAA CNC(=O)c1cccc(COc2ccc([C@H]3CCC(=O)N3)cc2)c1 902784597 FXIKPOKNUFDJBH-QGZVFWFLSA-N 324.380 2.576 0 50 DFAA CC1(CNC(=O)N2CCCC[C@@H]2CCC(=O)O)CC(F)(F)C1 1646722869 YCNZEKRBRUJPNO-LLVKDONJSA-N 318.364 2.851 0 50 DFAA CN1CCC[C@]2(CO)CCN(Cc3ccc(Cl)s3)C[C@@H]12 1704299340 JJTXERGGARKBCO-UKRRQHHQSA-N 314.882 2.680 0 50 DFAA CCOc1c(F)cccc1C(=O)N[C@@H](c1ncccn1)C1CC1 906234248 QOOIGQUFDFAXJP-CQSZACIVSA-N 315.348 2.896 0 50 DFAA Cn1cc([C@H](NC(=O)c2cc(C3CC3)nn2C)C(C)(C)C)cn1 934129890 WSDAMXVXKGSTGU-HNNXBMFYSA-N 315.421 2.548 0 50 DFAA Cc1cc(C(=O)NCc2nc(C(=O)O)c(C)s2)sc1C 1875392187 YZCHXVPOSVZBBE-UHFFFAOYSA-N 310.400 2.758 0 50 DFAA O=C(CSCc1ccc(Cl)s1)N1Cc2c[nH]nc2C1 394098438 XRRYANKKURDZRL-UHFFFAOYSA-N 313.835 2.900 0 50 DFAA CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC 34242 QFHWKOBKNPQMBR-UHFFFAOYSA-N 308.359 2.696 0 50 DFAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 300331 DEJGEIBAIIZTNR-UHFFFAOYSA-N 323.345 2.803 0 50 DFAA C[C@H]1C[C@@H](C)CN(Cc2nc(N)nc(Nc3ccccc3)n2)C1 545251 WWDFVTFOHIKJGN-BETUJISGSA-N 312.421 2.675 0 50 DFAA CCC(=O)c1ccc(OC[C@H](O)CN2CCC(C)CC2)cc1 4857580 XGXRHRIRNGWJIT-MRXNPFEDSA-N 305.418 2.751 0 50 DFAA Cc1cc(C)n(CCNC(=O)c2cccc(Br)c2)n1 4988228 FPKLHGJUEXZVQY-UHFFFAOYSA-N 322.206 2.692 0 50 DFAA CCCc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H](C)O)cc1 246274848 WFRXTAADKQENJH-ZFWWWQNUSA-N 311.447 2.563 0 50 DFAA CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1[C@H]2CCC[C@H]21 246479212 PHRKUSSRBGMNDQ-KBXIAJHMSA-N 322.449 2.938 0 50 DFAA CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 8722960 IKMZZZSBCKNECE-ZDUSSCGKSA-N 312.369 2.761 0 50 DFAA COCCN(Cc1sccc1C)C(=O)Cc1cc(C)no1 55576488 FARRTSSMEVSSRR-UHFFFAOYSA-N 308.403 2.571 0 50 DFAA COc1ccc(CNc2c(C(=O)O)c(=O)[nH]c3ccccc23)cc1 170624645 YSLAKACERSPIIB-UHFFFAOYSA-N 324.336 2.847 0 50 DFAA CC(C)Cc1nc(-c2ccc(=O)[nH]c2)n(-c2ccc(F)cc2)n1 67934293 QQBOEYZQAVRVAQ-UHFFFAOYSA-N 312.348 2.960 0 50 DFAA OCCn1c(SCc2ccccc2)nnc1-c1cccnc1 10312625 UUTXLFVSKNROPK-UHFFFAOYSA-N 312.398 2.625 0 50 DFAA O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1 134782267 ZPWRRSJKWRTGKV-ZDUSSCGKSA-N 301.777 2.744 0 50 DFAA Cc1noc(C)c1CC(=O)NCCn1ccc2ccc(F)cc21 170625271 DOFJJLXESASEBY-UHFFFAOYSA-N 315.348 2.744 0 50 DFAA O=C(O)c1cccnc1CN1CCC[C@@H](C(=O)c2ccccc2)C1 65459388 LUWOJRVCLXZMMY-OAHLLOKOSA-N 324.380 2.875 0 50 DFAA O=C1C[C@H](c2noc(CCC3CCC3)n2)CN1CC1CCC1 328593867 SXJXZXKWBXLSLY-AWEZNQCLSA-N 303.406 2.918 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](N[C@@H]3CCCC[C@@H]3C)C2=O)cc1 36047204 YZOPMRBEEJYGBQ-IMJJTQAJSA-N 300.402 2.795 0 50 DFAA CC(C)(C)NCC(=O)Nc1c2c(nc3c1CCC3)CCCC2 3880255 PKXMDDIOMFZRMG-UHFFFAOYSA-N 301.434 2.776 0 50 DFAA biogenic Cn1c(SC[C@H]2CCCC[C@H]2O)nc2ccsc2c1=O 332647354 SULKSVUTCNUSJF-MWLCHTKSSA-N 310.444 2.638 0 50 DFAA O=C(c1cc(O)nc(C2CC2)c1)N1CCc2ccc(O)cc2C1 329998404 SFKHMPOWIZARAS-UHFFFAOYSA-N 310.353 2.569 0 50 DFAA COc1ccc([C@H](CN(C)C)NCc2cnn3ccccc23)cc1 253416426 ASLHRVTUDTXQOC-SFHVURJKSA-N 324.428 2.735 0 50 DFAA CCN(Cc1ccc2c(c1)OCO2)Cc1c(C)nn(C)c1C 154792279 PYIICOVLBTYTSI-UHFFFAOYSA-N 301.390 2.788 0 50 DFAA Cc1cc(N(C)CC[C@H](O)c2ccccc2)n2nc(C)cc2n1 72481292 IXGGKBDQHTVODB-INIZCTEOSA-N 310.401 2.906 0 50 DFAA COc1nc2ccccc2cc1[C@H]1NCCc2nc(N)sc21 71745466 WPRHMNAQFMULEY-CYBMUJFWSA-N 312.398 2.517 0 50 DFAA O=S(=O)(NCCSC1CCCC1)c1ccc(F)cc1 32825861 AHSSHZSGVDBPJT-UHFFFAOYSA-N 303.424 2.780 0 50 DFAA O=C1CC[C@]2(CCCO2)CCN1CCOCc1ccccc1 72161080 TUZKJUDVPFKLKG-GOSISDBHSA-N 303.402 2.765 0 50 DFAA CSCc1nc(CCNC(=O)c2cnn(C(C)C)c2)cs1 77406080 BDBNMROEGVOSCP-UHFFFAOYSA-N 324.475 2.756 0 50 DFAA COc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(OC)c2)cc1 14220508 OALNISHWBJWCRK-LBPRGKRZSA-N 321.398 2.743 0 50 DFAA Cc1nnc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)o1 285185990 VUAFVTQZNMVQJT-MRVPVSSYSA-N 301.272 2.504 0 50 DFAA CC(C)n1nccc1NC(=O)[C@@H](O)c1ccc(Cl)cc1F 291416704 HFLZYTKONVTCIC-ZDUSSCGKSA-N 311.744 2.929 0 50 DFAA CCc1nc(N2CC(OCc3ccccc3F)C2)ncc1C 426495576 HBUJPFQPKDUUMJ-UHFFFAOYSA-N 301.365 2.892 0 50 DFAA COC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12 179369938 PLAYBAGYUDJHEF-AWEZNQCLSA-N 316.332 2.542 0 50 DFAA O=C(CCC(F)(F)F)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91493607 XROCZRAUSVVVHM-AWEZNQCLSA-N 315.335 2.912 0 50 DFAA CCc1nc(C)sc1C(=O)N1CCN(C(C)C)[C@H](CC)C1 91519158 FOCQLLUOGPAISV-CYBMUJFWSA-N 309.479 2.959 0 50 DFAA CCc1ncc(C(=O)NCCCSc2ccccc2)cn1 95388415 AFKTVWVAKWGZQT-UHFFFAOYSA-N 301.415 2.951 0 50 DFAA Cc1ccc2c(c1)[C@@H](NC(=O)Cn1cccc(C)c1=O)CCC2 180489918 FAMSMTKRNOWOKU-KRWDZBQOSA-N 310.397 2.659 0 50 DFAA Cc1nn(C)c2nc(N3CCC[C@H](CN4CCCC4)C3)sc12 95530956 KUKPPNYUSDWECD-CYBMUJFWSA-N 319.478 2.650 0 50 DFAA CCCc1nnc(N2CC[C@@]3(CCCN(CCC)C3=O)C2)s1 91390679 ZRORENWMIQDBPN-INIZCTEOSA-N 322.478 2.720 0 50 DFAA Cc1nn(C)c2nc(N[C@@H](CC(C)C)c3ncnn3C)sc12 96140644 MUTQOYOJPXQPGU-JTQLQIEISA-N 319.438 2.666 0 50 DFAA CN(c1nc(O)c2cn[nH]c2n1)[C@@H]1CCC[C@@H]1c1ccccc1 298892699 MHSXHDOKWIMVHQ-TZMCWYRMSA-N 309.373 2.831 0 50 DFAA CN(c1nc(O)c2cn[nH]c2n1)[C@@H]1CCC[C@H]1c1ccccc1 298892694 MHSXHDOKWIMVHQ-GXTWGEPZSA-N 309.373 2.831 0 50 DFAA Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(-c2ncn[nH]2)cc1 184070730 DPOIYOBSZHPREZ-MRXNPFEDSA-N 321.384 2.788 0 50 DFAA CCCc1cc(CN(C)C(=O)N[C@@H](C)c2ccc(O)cc2)n[nH]1 534667084 IURRBWJEDWSLDC-LBPRGKRZSA-N 316.405 2.970 0 50 DFAA Cc1ccc(NC(=O)NCc2nnc(N)s2)cc1C(C)C 299788351 RXSDNSQPBCWXKK-UHFFFAOYSA-N 305.407 2.874 0 50 DFAA Cc1ncsc1CCC(=O)NCc1cn2c(C)csc2n1 299794814 JWWUUTZHJUASLQ-UHFFFAOYSA-N 320.443 2.718 0 50 DFAA Cc1cc(C)c(C(=O)NCCCn2ccnc2C(C)C)c(O)n1 825124505 HCIJSVDGLRNITI-UHFFFAOYSA-N 316.405 2.544 0 50 DFAA CCOc1ccc(C(=O)NCCn2cnc(C)c2C)cc1Cl 823383238 RGFCJEDVAZLLML-UHFFFAOYSA-N 321.808 2.982 0 50 DFAA COc1ccccc1OCc1n[nH]c(Cc2csc(C)n2)n1 670442558 VTIUBIFLEMRAMM-UHFFFAOYSA-N 316.386 2.748 0 50 DFAA Fc1cc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ncn1 952994885 YDJKIYXSRBVKKK-UHFFFAOYSA-N 315.274 2.742 0 50 DFAA CC(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(O)cc(=O)o1 1875312464 DHVIFWWMRLSCGB-AWEZNQCLSA-N 315.369 2.733 0 50 DFAA Cc1nnc(SCC(=O)N2CC[C@H]2c2ccc(F)cc2)o1 952869227 YQTFWPUVAWIADQ-LBPRGKRZSA-N 307.350 2.583 0 50 DFAA Cc1ncc(C(=O)N2C[C@@H](C)Oc3c(F)cccc32)c(C)n1 185554783 JAWQQTZMCXEADQ-SECBINFHSA-N 301.321 2.660 0 50 DFAA Cc1cc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)n2ncnc2n1 274167036 NNKBJWZOSFSBPG-HUUCEWRRSA-N 309.373 2.765 0 50 DFAA C[C@H]1CC(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)C[C@H](C)O1 408222058 OCCCKAIWGQAGBE-KHSSZTOVSA-N 311.466 2.884 0 50 DFAA COc1ncnc2c1CN(Cc1csc(C(C)(C)C)n1)CC2 169971981 RWNSSODONNJOTM-UHFFFAOYSA-N 318.446 2.798 0 50 DFAA CCN1CC[C@@H](N(C)Cc2cc(C(=O)OC)c(C)o2)[C@H](C)C1 170023213 OOVPAUSPEWBZET-MLGOLLRUSA-N 308.422 2.537 0 50 DFAA CCN1C(=O)N(c2cccc(C)n2)C(=O)[C@H]1Cc1ccccc1 170613917 UHZHJOMLKRVGAC-OAHLLOKOSA-N 309.369 2.790 0 50 DFAA CC[C@H](C)OCC(=O)Nc1ccccc1[C@H](O)c1ccccn1 585087431 GDUQJEGBXOVBEP-UGSOOPFHSA-N 314.385 2.917 0 50 DFAA C[C@@H]1CC(NC(=O)c2cccc3c2NC(=O)CO3)C[C@@H](C)C1 585120887 SYVSNLSNLOWVPM-QWRGUYRKSA-N 302.374 2.572 0 50 DFAA Cc1noc2ncnc(N(C)CCOc3ccccc3F)c12 193383777 DJZYQIANRAKQCM-UHFFFAOYSA-N 302.309 2.581 0 50 DFAA CC[C@]1(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCOC1 682974035 GBMWESRQLHBWHT-INIZCTEOSA-N 303.337 2.515 0 50 DFAA CCN(CC)C(=O)[C@@H](c1ccccc1)[S@](=O)C1CCOCC1 194622928 YBOHRQKZTLWXKH-OPAMFIHVSA-N 323.458 2.524 0 50 DFAA Cc1cc(=O)cc(C(=O)N(C)CCOc2cccc(Cl)c2)o1 1506418865 UIBYSLNEAAZVBF-UHFFFAOYSA-N 321.760 2.753 0 50 DFAA O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)Nc1ccccc1 38654 COCPWSROQBFTBZ-ZHACJKMWSA-N 310.309 2.518 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@@H]2O)on1 1529195670 NDCYSFDBDQCZHV-APWZRJJASA-N 323.396 2.567 0 50 DFAA O=C(COC[C@@H]1CCCO1)Nc1cscc1Br 606445970 RHIAZIRFKXGUKM-QMMMGPOBSA-N 320.208 2.645 0 50 DFAA Cn1ccnc1CN1CCC2(CC1)OCCc1sccc12 1704299369 OSVCFOCTHSMZMT-UHFFFAOYSA-N 303.431 2.546 0 50 DFAA CC1(C)OB(c2cnn(Cc3cccc(Cl)c3)c2)OC1(C)C 217837955 HHLYPYUSKSPIPG-UHFFFAOYSA-N 318.613 2.884 0 50 DFAA O=C(COc1ccccc1)Nc1ccnn1Cc1ccccc1 5089742 QNIZANJTZQNNKP-UHFFFAOYSA-N 307.353 2.949 0 50 DFAA O=C(O)C1N(Cc2ccccc2)CCCN1Cc1ccccc1 19325049 KKOFJYVKROYBAN-UHFFFAOYSA-N 310.397 2.805 0 50 DFAA CC(C)(C)c1ccc2oc(N3CCO[C@]4(CCNC4)C3)nc2c1 1857678782 ANRNDZNNNYCUQZ-SFHVURJKSA-N 315.417 2.694 0 50 DFAA C[C@@H](Cn1cncn1)n1ccnc1-c1ccc2ncccc2c1 1857696395 YNVCCLPJECVZPN-ZDUSSCGKSA-N 304.357 2.951 0 50 DFAA CC[C@@](C)(O)CNc1ccc2nnc(-c3ccccc3F)n2n1 112079065 PMGMKXPSMALAQZ-MRXNPFEDSA-N 315.352 2.503 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)[C@@H]2CCO[C@H]21 230136350 UHKBUHFSQKTTIH-NTFKUYOJSA-N 321.367 2.998 0 50 DFAA CCC(=O)N(CC(=O)NC)[C@@H](C)c1ccc(F)cc1Cl 585124555 HUBXRWWDTCKZMU-VIFPVBQESA-N 300.761 2.525 0 50 DFAA CCC(CC)(CNC(=O)c1cc(Cl)cc(F)c1N)C(=O)O 263050133 KQZBKBVANFFVLT-UHFFFAOYSA-N 316.760 2.682 0 50 DFAA CCCCCN(Cc1ccc(Cl)cc1)c1nc(N)nc(N)n1 1651624808 KBDPSOUUGHREKT-UHFFFAOYSA-N 320.828 2.886 0 50 DFAA Cn1cc(NC(=O)NCc2ccon2)c(C2CCCCC2)n1 836710449 RVXQDGUJONKEBN-UHFFFAOYSA-N 303.366 2.778 0 50 DFAA Cn1c(=O)oc2cc(CNCCc3cccc4cc[nH]c34)ccc21 2325719930 YXHIGLLEMPMOCB-UHFFFAOYSA-N 321.380 2.945 0 50 DFAA CC(C)(CNC(=O)c1cc(C(N)=O)ccc1F)C1CCCC1 2325784765 IEBKMWOLSOZOJB-UHFFFAOYSA-N 306.381 2.871 0 50 DFAA Cc1ccccc1Cn1cc(CN[C@H]2CCc3n[nH]cc3C2)cn1 2325814035 HQKSVWOQBTZGJD-SFHVURJKSA-N 321.428 2.610 0 50 DFAA O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCCc2ccccc21 150980978 BVVAWMBBESNERM-UHFFFAOYSA-N 322.343 2.999 0 50 DFAA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1 84140 QSYXPLNCWYFNQS-OAHLLOKOSA-N 311.337 2.650 0 50 DFAA biogenic CCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)ccc12 253077 VRJACYSEDJJQFW-UHFFFAOYSA-N 303.358 2.603 0 50 DFAA Nc1c(Br)cc(Br)c(F)c1C(=O)O 2584267 DHWCACOUGDPIBD-UHFFFAOYSA-N 312.920 2.631 0 50 DFAA O=C(O)C[C@@H](NCc1ccco1)C(=O)Nc1ccc(Cl)cc1 4688979 YJZZEUFDIYMTON-CYBMUJFWSA-N 322.748 2.505 0 50 DFAA CCOC(=O)CCC(=O)Nc1cc(-c2cccc(C)c2)n[nH]1 6194847 NVHYAAWCZPGNGQ-UHFFFAOYSA-N 301.346 2.667 0 50 DFAA O=C1C[C@H](NNc2ccccc2)C(=O)N1c1cccc(Cl)c1 100376461 WQDVZDWHSUEXNO-AWEZNQCLSA-N 315.760 2.589 0 50 DFAA CNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1 8722934 KFBVWMKEUVRGFU-UHFFFAOYSA-N 312.369 2.681 0 50 DFAA CS(=O)(=O)CCCc1nc(C23CC4CC(CC(C4)C2)C3)no1 113706894 DURCRPHOGGOTNV-UHFFFAOYSA-N 324.446 2.515 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)NCCCc2ccccc2)[C@H]2C=C[C@H]1CC2 101441344 MFRBGFQLDDSTEI-QAETUUGQSA-N 313.397 2.648 0 50 DFAA C/C=C(\C)CN1CC[C@H](CNC(=O)c2onc3ccccc23)C1 67909869 GHZPAEHWROIYRA-XHAHAKLZSA-N 313.401 2.846 0 50 DFAA O[C@@H]([C@H]1CCCCN1Cc1nc2ccccc2[nH]1)C(F)(F)F 353744645 GWPXNEOADNIKMZ-OCCSQVGLSA-N 313.323 2.841 0 50 DFAA Cc1ccc(-n2cc(C(=O)Nc3cccnc3Cl)nn2)cc1 123112852 QEFQNZXBGBSTHV-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA CCC(=O)N1CCCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 172433913 IJGDZFKZRIKNRS-INIZCTEOSA-N 312.413 2.856 0 50 DFAA Cc1cc(N2CCOCC2)n2nc(-c3ccccc3)c(C)c2n1 35476308 YJTJLGUPVXWIOF-UHFFFAOYSA-N 308.385 2.850 0 50 DFAA Fc1cccnc1O[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 330137406 NTOKDXZDMCHJJG-LLVKDONJSA-N 320.393 2.997 0 50 DFAA Cc1ccccc1OC1CCN(C(=O)c2ccc(N)nc2)CC1 77419022 KFJLGHKDXLGFEO-UHFFFAOYSA-N 311.385 2.656 0 50 DFAA Cc1cc(C)cc([C@@H](O)CNC(=O)NC[C@@H]2CCCS2)c1 253393351 YXZRCQIDNFWZDW-GJZGRUSLSA-N 308.447 2.532 0 50 DFAA CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCCSCC1 253432894 PMYQNVZGFFHCHU-KBPBESRZSA-N 300.468 2.586 0 50 DFAA Cc1csc([C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 173421330 FFTVFRMQGGTHPJ-CYBMUJFWSA-N 318.446 2.740 0 50 DFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CCCNCC2)cc1 237651925 VBJZFDGQYQBNQJ-UHFFFAOYSA-N 322.408 2.662 0 50 DFAA Cc1ccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nn1 72170107 JZFBOUDNJHQXSY-MISYRCLQSA-N 320.440 2.852 0 50 DFAA O=C(NCC(F)F)[C@@H]1CCCCN1c1nc2ccccc2o1 450846762 PFXLHLKZZCWGEC-NSHDSACASA-N 309.316 2.568 0 50 DFAA CC(C)(C)[C@@H](NCc1n[nH]c(=O)s1)c1ccc(F)cc1F 284157730 PYJZVFDMFUTQPN-LBPRGKRZSA-N 313.373 2.987 0 50 DFAA O=C(NC[C@@H]1CSCCS1)c1ccnc(C2CCCC2)n1 157686901 YAOVEJXLGNLHER-GFCCVEGCSA-N 323.487 2.713 0 50 DFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@](C)(O)C1 177339584 RQFVSAJHAYJOHV-INIZCTEOSA-N 302.399 2.715 0 50 DFAA COc1ccccc1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 20602220 NWEFQYSAIJSZAO-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA CC(C)=CCOc1cccc(C(=O)N2CCC(C(=O)O)CC2)c1 236735868 VMBDPRLLELSNRM-UHFFFAOYSA-N 317.385 2.968 0 50 DFAA COc1cccc([C@H]2CCN2C(=O)c2cn3ccsc3n2)c1 91321535 FPGFWTPFIMQATO-CQSZACIVSA-N 313.382 2.992 0 50 DFAA CO[C@@H](C(=O)N1CCC(c2nccn2C)CC1)c1ccccc1 92081512 ZKXIVXURUCXYGT-MRXNPFEDSA-N 313.401 2.514 0 50 DFAA COCCN(CC1CC1)C(=O)c1[nH]nc(-c2ccccc2)c1C 97785318 MBXMBWRLXDSOKQ-UHFFFAOYSA-N 313.401 2.884 0 50 DFAA CO[C@H]1CCCOC12CCN(C(=O)c1cc(C(C)C)on1)CC2 96164042 OYPCPGMMQHFABR-HNNXBMFYSA-N 322.405 2.598 0 50 DFAA O=C(c1cccc(Cl)c1F)N1CCCC[C@H]1c1nc[nH]n1 181361505 YDQQBCUPGHUWIR-NSHDSACASA-N 308.744 2.965 0 50 DFAA C[C@H](c1ccncn1)N(C)CC(=O)NC1CCCCCCC1 244700956 JXEMFDSTBDIZQW-CQSZACIVSA-N 304.438 2.699 0 50 DFAA CNc1ccnc(N[C@@H](c2ccc(F)cc2F)[C@H]2C[C@H](O)C2)n1 244707900 KJRIIIBYLKEAFO-XDMRBOTDSA-N 320.343 2.721 0 50 DFAA CCC[C@H](NC(=O)Cc1nc(C)sc1C)c1nccn1C 244701207 KCCZKCSLKLJBOF-LBPRGKRZSA-N 306.435 2.694 0 50 DFAA C[C@H](C(=O)O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 299748771 ICUTVMYANBUFOE-SKDRFNHKSA-N 303.280 2.552 0 50 DFAA Cn1c(-c2ccc(C(=O)N3CCOCC3)o2)cc2ccccc21 534642714 RWJGFCRRMBTNNN-UHFFFAOYSA-N 310.353 2.911 0 50 DFAA Cc1ccc2nc(CCC(=O)NCC[C@@H]3CCOC3)[nH]c2c1C 534592118 CRMMCOFTLOJCHG-CQSZACIVSA-N 315.417 2.655 0 50 DFAA CC[C@H](NC(=O)c1cn(C)c2ccccc12)c1ncnn1CC 299767142 FQTWEOVKCCTJHP-AWEZNQCLSA-N 311.389 2.671 0 50 DFAA Cc1c(NC(=O)CC(C)C)cccc1NC(=O)N[C@H]1CCOC1 299761841 ARJNOHDYHAPHDT-ZDUSSCGKSA-N 319.405 2.890 0 50 DFAA Cc1c(NC(=O)CC(C)C)cccc1NC(=O)[C@@H]1CCN(C)C1 820949444 WBLQIRLNXCHBBR-CQSZACIVSA-N 317.433 2.870 0 50 DFAA CCc1nc2cc(NC(=O)C3CCOCC3)ccc2n1CC 823582535 HQWXDKWVIKRVSC-UHFFFAOYSA-N 301.390 2.984 0 50 DFAA O=C(CCCc1cn[nH]c1)N1CCC(Cc2cccnc2)CC1 584894923 IMQIEXZHJZPOEY-UHFFFAOYSA-N 312.417 2.609 0 50 DFAA CN(Cc1cscn1)C(=O)NCc1ccc2c(c1)CCCO2 584893581 IUSMEJXTXSAMOX-UHFFFAOYSA-N 317.414 2.810 0 50 DFAA CO[C@H]1C[C@@H](Cn2nnnc2N2CCC[C@H]2c2ccsc2)C1 952878443 DSXIMXORBLIVHS-YUTCNCBUSA-N 319.434 2.501 0 50 DFAA CO[C@]1(C(=O)O)CCN(C(=O)c2cc(C(C)C)[nH]c2C(C)C)C1 1875278116 ZQWATFFSUJXHTJ-QGZVFWFLSA-N 322.405 2.577 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@@H](SCC)C2)CC1 1875365700 PWDMGXVBYBKPKW-OAHLLOKOSA-N 324.490 2.545 0 50 DFAA Cc1cccc(C2(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)c1 952971561 SZNPZEPASCPOAQ-CQSZACIVSA-N 314.429 2.747 0 50 DFAA Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cnc1C 952971510 KCWJUUXGWNIPMO-UHFFFAOYSA-N 311.385 2.961 0 50 DFAA COc1ccc(NC(=O)C(C)C)c(NC(=O)c2cc[nH]c2)c1 952985145 COAVCTAFLNDEPX-UHFFFAOYSA-N 301.346 2.870 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CC[C@@H]1CC[C@H](C)O1 271892925 NVPSYQXSTWSYPQ-DZKIICNBSA-N 319.401 2.975 0 50 DFAA CCN(CCO)c1ncnc2c(-c3ccccc3)nsc12 631032455 DMFDWWJTKWKTGD-UHFFFAOYSA-N 300.387 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307.353 2.628 0 50 DFAA Cc1cc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)[nH]n1 282286045 YOLQNHOTAFXAII-INIZCTEOSA-N 319.792 2.503 0 50 DFAA COc1cccc(OC[C@H]2CCCN(C(=O)COC(C)C)C2)c1 77408046 GEVXRNPCENOWNM-HNNXBMFYSA-N 321.417 2.738 0 50 DFAA Cc1cc([C@H](C)Nc2cc(N3CCC[C@H]3CO)ncn2)c(C)o1 257365191 GFCGXPVYUOCMOS-JSGCOSHPSA-N 316.405 2.821 0 50 DFAA CC(C)c1ccccc1OC[C@H](O)CN1CCOC2(CCC2)C1 154054145 CBFNLTXMPICLFP-MRXNPFEDSA-N 319.445 2.805 0 50 DFAA Cc1cn2c(n1)[C@H](CNC(=O)N(C)Cc1ccc(C)o1)CCC2 367209005 YVQLWKYDLSJXBQ-AWEZNQCLSA-N 316.405 2.812 0 50 DFAA Cc1nnsc1C(=O)N(C)Cc1cc(-c2ccccc2)no1 72462960 XERWCNFBXUMOAL-UHFFFAOYSA-N 314.370 2.774 0 50 DFAA CC(C)(C)c1cnc(CCC(=O)N[C@H]2CCN3CCC[C@@H]3C2)o1 242316997 YWKXJXUVWOETQS-UONOGXRCSA-N 319.449 2.648 0 50 DFAA Cc1cccn2cc(C(=O)N3CC[C@H](Oc4ccccc4)C3)nc12 426551756 GGSRAISSQPWFKX-INIZCTEOSA-N 321.380 2.936 0 50 DFAA C[C@]1(CNC(=O)c2cc(C3CC3)no2)OCCc2sccc21 290330803 JKIPYVAUSMJDDR-MRXNPFEDSA-N 318.398 2.831 0 50 DFAA 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CCc1noc(NC(=O)CCn2nc(C)c(C(C)=O)c2C)c1C 1506430436 BABDNJBGLKALMJ-UHFFFAOYSA-N 318.377 2.590 0 50 DFAA O[C@@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H]1Cc1ccncc1 1704326531 ZUERSHCJLCTWDT-TZMCWYRMSA-N 323.318 2.535 0 50 DFAA COc1cc(Cl)cc(CN2C[C@H](O)[C@@H](F)C2)c1OC(C)C 1616107838 SZKUZGCZXWHSBG-STQMWFEESA-N 317.788 2.650 0 50 DFAA CCCN1CCN(C(=O)c2cccc(Br)c2)CC1 13324165 LZFXBFOBYCLQTA-UHFFFAOYSA-N 311.223 2.617 0 50 DFAA Cc1ccc(OCCCN2C(=O)COc3cc(N)ccc32)cc1 11757443 QKIDZVDWDRLUGU-UHFFFAOYSA-N 312.369 2.772 0 50 DFAA CC1=C(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)OCCO1 12750672 HLSVXYJTNPKQTB-OAHLLOKOSA-N 320.364 2.507 0 50 DFAA CCS(=O)(=O)N1CCC[C@@H](CCc2cccc(OC)c2)C1 14979129 FTHOCEYIDGVEQZ-HNNXBMFYSA-N 311.447 2.690 0 50 DFAA CN(CCc1ccc(F)cc1)C(=O)c1cccc2nc(O)[nH]c12 1857532700 JVPMOINADSLHBQ-UHFFFAOYSA-N 313.332 2.722 0 50 DFAA CN(Cc1ccc(Br)c(F)c1)C(=O)c1cn[nH]c1 408514669 WNXBUNKSVALUBC-UHFFFAOYSA-N 312.142 2.584 0 50 DFAA Cc1csc(-c2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)O)cc2)n1 225458219 DBGCMYBFQXMAAM-VXGBXAGGSA-N 302.355 2.778 0 50 DFAA CC(C)n1cccc1C(=O)N(C)C[C@@H]1CCn2ccnc2C1 328621859 IAIYANMNDPUAGC-CQSZACIVSA-N 300.406 2.600 0 50 DFAA C[C@H](Sc1nccn1C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 241317011 LWZHPTIQMHHHPG-IKOXMDCHSA-N 307.463 2.842 0 50 DFAA Cc1cc(C(=O)N2CCN[C@H](c3cccnc3)C2)sc1C 374372145 CJWRAUUSBOWJDS-AWEZNQCLSA-N 301.415 2.547 0 50 DFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(F)c2Cl)C1 379228967 RYDVKVRBSCZABX-GMSGAONNSA-N 324.705 2.973 0 50 DFAA COc1ccc(NC(=O)Cc2cccc(Cl)c2)c(OC)n1 589860493 QNMCEBNGURWETK-UHFFFAOYSA-N 306.749 2.933 0 50 DFAA Cc1ccc(C(=O)N2CC[C@@](C(=O)O)(c3ccccc3)C2)c(C)n1 909860927 FONBZDHHZTYQDK-IBGZPJMESA-N 324.380 2.567 0 50 DFAA CC(C(=O)NC[C@@H]1CCO[C@H]1c1nccn1C)=C1CCCC1 856006925 ACBWZRAWPHMOBT-LSDHHAIUSA-N 303.406 2.504 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)C3(F)CCNCC3)cc2)c1C 2325795542 LTXIPZRGIULYHM-UHFFFAOYSA-N 316.380 2.519 0 50 DFAA Cc1nc2c(NC[C@H](N)c3ccc(F)cc3)ncnc2s1 2325857070 OCIASUIETXONNU-NSHDSACASA-N 303.366 2.646 0 50 DFAA CN(C)CCc1ccc(-c2cnc(-c3ncccn3)nc2)cc1 2325859053 MBENHXHIAJFNRM-UHFFFAOYSA-N 305.385 2.705 0 50 DFAA Cc1cc(Br)ccc1NC(=O)CCCC(=O)O 50448 LGHKVLRNEBYYJF-UHFFFAOYSA-N 300.152 2.951 0 50 DFAA Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1 184445 CUOXDRIVQZAHTF-PWSUYJOCSA-N 324.306 2.951 0 50 DFAA COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 225028 BXYDRXXLNSREMP-CVEARBPZSA-N 311.337 2.690 0 50 DFAA Cc1nc2ccccc2n1[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 614291 HEUFLGWGDPJSCB-QGZVFWFLSA-N 319.364 2.845 0 50 DFAA COc1ccc(OCC(=O)Nc2cccc(C(=O)O)c2C)cc1 1165280 INZVCWCWOYLTRA-UHFFFAOYSA-N 315.325 2.719 0 50 DFAA O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCOC1 2348501 GZBBCBKHQLFIDG-UHFFFAOYSA-N 323.352 2.584 0 50 DFAA Cn1cnnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 2623307 DHSHDOKJMNJLEC-UHFFFAOYSA-N 317.201 2.853 0 50 DFAA COCCCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 2734895 JIKIEICCDZVDGP-UHFFFAOYSA-N 312.369 2.705 0 50 DFAA CN(C)CCCOc1ccc(I)cc1 2825472 ILWIADBQRLSUIJ-UHFFFAOYSA-N 305.159 2.622 0 50 DFAA CN1CCC[C@@]2(CCCN2C(=O)Nc2ccc(F)cc2F)C1=O 2356139735 JGJLGMCDKVSPLX-MRXNPFEDSA-N 323.343 2.584 0 50 DFAA Cc1nsc(N2CCC3(CC2)OCCc2sccc23)n1 2356157448 LKISFYPQKCYAOY-UHFFFAOYSA-N 307.444 2.976 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 4113586 HSIAXJVPSVOXAN-CQSZACIVSA-N 306.337 2.797 0 50 DFAA CCOc1ccccc1-c1noc(CCCC(=O)N(C)C)n1 4858372 PHBIHEWTVXEODS-UHFFFAOYSA-N 303.362 2.546 0 50 DFAA C[C@H](NC(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1 100485735 RTXLDLSTARBNJS-LBPRGKRZSA-N 322.364 2.735 0 50 DFAA O=C(Nc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CC3 100621260 QGRHKOUWUUNPBO-UHFFFAOYSA-N 306.321 2.516 0 50 DFAA biogenic C[C@@H](Cc1ccccc1F)NC1(CN2CCOCC2)CCCC1 65502976 AFVDTAJCLKCHMP-INIZCTEOSA-N 320.452 2.991 0 50 DFAA CNc1ncccc1CN1CCN(Cc2cccc(F)c2)CC1 55342410 WDPAKXOZDWZDBO-UHFFFAOYSA-N 314.408 2.580 0 50 DFAA CC(C)N1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccccc12 66119180 YDAMLSBOSDZDSX-SFHVURJKSA-N 307.353 2.768 0 50 DFAA CC1CCN(c2nc3nccc(-c4ccco4)c3c(=O)[nH]2)CC1 22606930 BLRPNFHVNDJRIE-UHFFFAOYSA-N 310.357 2.814 0 50 DFAA Cc1ccccc1CN1CCN(CC(=O)Nc2ccccc2)CC1 20418596 IEAYWBRSQXOLAU-UHFFFAOYSA-N 323.440 2.751 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)cn1 20255302 FKFGPWWJXCYTLY-ZDUSSCGKSA-N 301.390 2.510 0 50 DFAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC[C@]2(CCNC2)C1 67885809 DBDFWGWRFZDPBC-LJQANCHMSA-N 309.413 2.897 0 50 DFAA CC(C)N1CCC(C(=O)N[C@H](C)c2cn3ccsc3n2)CC1 65489417 MJZLYZLMHNYNPX-GFCCVEGCSA-N 320.462 2.693 0 50 DFAA CCOc1ccc2ccccc2c1C(=O)NCc1cnn(C)c1 2763409 YSQSIAYINGMWTN-UHFFFAOYSA-N 309.369 2.902 0 50 DFAA CC1(C)CN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)C1(C)C 123999960 QHBPEECBZYWLSF-CQSZACIVSA-N 321.465 2.750 0 50 DFAA O=C(N[C@H]1CCOCC12CCCC2)N[C@@H]1C[C@H]1c1ccco1 1365644529 MDTRNAGEMYTCHD-NFAWXSAZSA-N 304.390 2.784 0 50 DFAA CCOc1cc(Sc2nnc(-c3ccoc3C)o2)ncn1 120685687 QEJLVDUSORMLDR-UHFFFAOYSA-N 304.331 2.978 0 50 DFAA C[C@H](NC(=O)c1cccn(C)c1=O)c1nc(C(C)(C)C)cs1 330649773 KZUNLJXHAXQAQE-JTQLQIEISA-N 319.430 2.630 0 50 DFAA CCO[C@H]1C[C@H](N(C)Cc2ccc(OC)nn2)C12CCCC2 253392369 JAUYZYFIJGSRCY-GJZGRUSLSA-N 305.422 2.655 0 50 DFAA Cc1nnc(NNc2n[nH]c(=O)c3ccccc23)c2ccccc12 72422467 QMWYGOWSTHAIEP-UHFFFAOYSA-N 318.340 2.614 0 50 DFAA CC(=O)c1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cs1 77357670 DFIVMHFAQQLHFE-NSHDSACASA-N 303.387 2.694 0 50 DFAA Cc1nn(CCO)c(C)c1CN(C)Cc1ccc2ncccc2c1 216190280 JMJDMLSRFACBJP-UHFFFAOYSA-N 324.428 2.672 0 50 DFAA O=C(c1cc2ccccc2cn1)N1CCO[C@@H](C(F)(F)F)C1 72156938 ZYWIZWOAHXZFBY-CYBMUJFWSA-N 310.275 2.638 0 50 DFAA Cc1ncc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c(C2CC2)n1 369154737 VVCSNVSYRJRFMZ-MRXNPFEDSA-N 323.396 2.956 0 50 DFAA CC(C)C[C@@H](O)C1CCN(C(=O)CCc2ccncc2)CC1 77457400 SRPRIPPPHNEMAK-QGZVFWFLSA-N 304.434 2.660 0 50 DFAA CN1CCC[C@@H](c2nn3c(Cc4ccccc4)nnc3s2)C1 71753893 QCWXYJZIIRALDE-CYBMUJFWSA-N 313.430 2.586 0 50 DFAA Cc1ccc2cc(CN3CC(N4CCCCC4)C3)c(=O)[nH]c2c1 215001003 QLHXFSDMYIKXQU-UHFFFAOYSA-N 311.429 2.507 0 50 DFAA O=C(NCC1(c2ccccn2)CCC1)N[C@H]1COc2ccccc21 376349954 JPDLOPPFOKBIOZ-HNNXBMFYSA-N 323.396 2.936 0 50 DFAA CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2sccc2Cl)C1 285372793 CGGKAVUZGVAZJM-VHSXEESVSA-N 314.838 2.778 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)c2ccccc21 177473551 TZPCXXRNCRLHER-HUUCEWRRSA-N 323.348 2.768 0 50 DFAA O=C(Nc1ncc(CCO)s1)[C@@H]1CCSc2ccccc21 614910423 QUNKZEUBEANAJI-GFCCVEGCSA-N 320.439 2.896 0 50 DFAA COc1nc(C)cc(C)c1CNC(=O)c1ccc2nc(C)cn2c1 82120610 RLLWRYLENRASTI-UHFFFAOYSA-N 324.384 2.593 0 50 DFAA CCN(Cc1cnn(CC)c1)c1cc([C@@H]2CCOC2)nc(C)n1 426536207 AGSUCWQBBKFDJM-OAHLLOKOSA-N 315.421 2.532 0 50 DFAA Cc1cccnc1N1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 95356744 AFOHBQQBVBLENP-SFHVURJKSA-N 321.424 2.769 0 50 DFAA COCc1cc(N[C@@H](Cn2cccn2)c2ccccc2)ncn1 91707975 QRPDMVCIDYZJNY-INIZCTEOSA-N 309.373 2.673 0 50 DFAA Cc1nnsc1CN1C[C@@](C)(c2ccccc2)CCC1=O 91830255 JKYCNNASAKJHNN-INIZCTEOSA-N 301.415 2.927 0 50 DFAA FC(F)(F)c1cc(Br)cc(CN2CCNCC2)c1 230541108 YQDNREVCYNYVAH-UHFFFAOYSA-N 323.156 2.873 0 50 DFAA CCc1nc(C)sc1CN1CCC[C@](CO)(CCOC)C1 91650048 GMLSTWKUNVJITA-INIZCTEOSA-N 312.479 2.625 0 50 DFAA Cc1nc(CN2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)no1 181296314 UQYUSUNAAUBPCS-CQSZACIVSA-N 324.388 2.543 0 50 DFAA Cc1cc(C(F)(F)F)nn1CCNc1nnc(C2CCC2)o1 95392370 DHEVHAYBVHTVJN-UHFFFAOYSA-N 315.299 2.973 0 50 DFAA CC[C@]1(CO)CCCN(Cc2nccn2Cc2ccccc2)C1 91745702 WFBHNXNAGZXVSJ-IBGZPJMESA-N 313.445 2.916 0 50 DFAA COc1ccc(CCCNc2cc([C@H]3C[C@@H](O)C3)ncn2)cc1 244633441 GDDDHLVGBUYEJT-GASCZTMLSA-N 313.401 2.768 0 50 DFAA CC(C)CN1CC[C@H](C(=O)N2CCCCC[C@@H]2C[C@H](C)O)C1 253418035 GEVZIWRUEJEWAV-YESZJQIVSA-N 310.482 2.506 0 50 DFAA Cc1ccc(OC[C@H](C)NC(=O)N2CCC3(CCO3)CC2)cc1 534648674 VROQSQQORXFGQM-HNNXBMFYSA-N 318.417 2.727 0 50 DFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cncs1 299477901 JCQGKCRQAADIPZ-UHFFFAOYSA-N 315.398 2.940 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)[C@H](C)N2CCCCCC2)c1 584889356 GJOALEZIXPFNRH-INIZCTEOSA-N 303.450 2.921 0 50 DFAA Cc1nnsc1CN1CCN(c2ccccc2Cl)CC1 240203841 JTYJJMZXAWDORI-UHFFFAOYSA-N 308.838 2.822 0 50 DFAA C[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCCO)c1ccccc1 863983661 LTCPWIDKRZTWBJ-HIFRSBDPSA-N 308.422 2.613 0 50 DFAA C[C@H]1[C@H](NCCCC2(O)CCC2)CCN1Cc1ccccc1 863984708 ZXOMUVYJQDOSCO-FUHWJXTLSA-N 302.462 2.934 0 50 DFAA C[C@H]1[C@@H](NCCCC2(O)CCC2)CCN1Cc1ccccc1 863984710 ZXOMUVYJQDOSCO-WMZOPIPTSA-N 302.462 2.934 0 50 DFAA COC(=O)[C@H]1CC2(CCC2)CN1Cc1nc(C2CCCC2)no1 1875292764 RVKRBMXGHBGSIR-CYBMUJFWSA-N 319.405 2.645 0 50 DFAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1cccc(C2CC2)c1 1875400066 QGCMNESFKYLKPD-KFKAGJAMSA-N 311.429 2.690 0 50 DFAA Cc1ncsc1C(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952968064 JMSRTXHJHPIYJF-QMMMGPOBSA-N 302.359 2.633 0 50 DFAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)o1 272967877 USBFLOZTCYEUME-AWEZNQCLSA-N 312.369 2.639 0 50 DFAA Cn1nccc1S(=O)(=O)N[C@H]1CCC(C)(C)c2ccccc21 274106885 CKDJGRKQKPLBKP-AWEZNQCLSA-N 319.430 2.511 0 50 DFAA O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCC(O)CC1 305005120 BVZPBARCGQEFOO-UHFFFAOYSA-N 316.788 2.999 0 50 DFAA Cc1ncc(C(=O)N2CCC(Cc3ccccn3)CC2)s1 171615878 MDIDJESWZHIHNQ-UHFFFAOYSA-N 301.415 2.941 0 50 DFAA Cc1cc(N2CC[C@H](c3ncc[nH]3)C2)nc(-c2ccccn2)n1 585093026 YPXZZQTWKFNQGP-ZDUSSCGKSA-N 306.373 2.564 0 50 DFAA CCN(CC)S(=O)(=O)c1ccc(NCc2cccnc2)cc1 585139573 NOXZIZHNFHHCHG-UHFFFAOYSA-N 319.430 2.724 0 50 DFAA O=C(CCc1ccccn1)NC[C@@H]1CCO[C@H]1c1ccccc1 190214180 USBRCNUABBMHHC-LPHOPBHVSA-N 310.397 2.908 0 50 DFAA C[C@H](C[S@](C)=O)NC(=O)N1CCCC2(CCCCC2)CC1 190221726 CXYQXROIHRKEQO-SZNDQCEHSA-N 314.495 2.899 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2coc3ccccc23)C1 644119286 NVBQFIILJOTPQV-RISCZKNCSA-N 311.341 2.758 0 50 DFAA Cc1c(NC(=O)[C@@H]2NCCC2(C)C)cnn1-c1ccccc1F 662802167 ZISGENUDOAZEJQ-HNNXBMFYSA-N 316.380 2.646 0 50 DFAA C[C@H]1C[C@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 788076475 DIMDNXCOVMWRRI-JSGCOSHPSA-N 306.369 2.651 0 50 DFAA CCc1nccn1C[C@H](C)N(C)CCOc1ccccc1OC 1506420673 AEDPHCHQWFISAK-HNNXBMFYSA-N 317.433 2.853 0 50 DFAA NC[C@H]1CCCN1C(=O)c1ccc(Cl)cc1Br 226279977 JAIAHIKTCOISHR-SECBINFHSA-N 317.614 2.666 0 50 DFAA O=C(N[C@@H](CC1CC1)C(=O)O)c1ccc(-c2ccccc2)nc1 1616029946 UGGYYXZDYYESJG-INIZCTEOSA-N 310.353 2.732 0 50 DFAA CC(=O)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 5041755 OGTWGFUQWLUELL-UHFFFAOYSA-N 324.384 2.638 0 50 DFAA O=C(c1ccc[nH]1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857680129 HBBWNOWDUGLHPC-UHFFFAOYSA-N 306.369 2.646 0 50 DFAA C[C@H]1CCc2nc(NC(=O)N[C@@H]3C[C@H]4CC[C@H]3O4)sc2C1 110680532 IBAOSJYPSXGSCG-LUTQBAROSA-N 307.419 2.709 0 50 DFAA C[C@H](NC(=O)c1cc(F)cc2cccnc12)C1CCOCC1 119647385 VQZZPUQXCSDRBR-NSHDSACASA-N 302.349 2.919 0 50 DFAA C[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc[nH]n1 128695339 QJVUEIYZWAEDQL-ZCFIWIBFSA-N 318.686 2.968 0 50 DFAA O=C([C@H]1CCc2nccn2C1)N1CC(c2ccc(Cl)cc2)C1 665557651 KLYXABZKUIOJLI-ZDUSSCGKSA-N 315.804 2.725 0 50 DFAA C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CC[C@H]1C(=O)O 263142797 YMGSQEJNZCKBNO-CKEIUWERSA-N 315.413 2.751 0 50 DFAA Cn1nnc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1C(F)F 900851767 IJTOODKBNHYPGR-NSHDSACASA-N 322.315 2.509 0 50 DFAA Cc1nonc1CN1CCC[C@@H](c2nc3c(s2)CCC3)C1 932189622 CLXNXXXYMIMGHE-LLVKDONJSA-N 304.419 2.703 0 50 DFAA NC(=O)C1(CNC(=O)c2cc(-c3ccccc3)ccn2)CCCC1 932940891 JECDVPRYHWETQN-UHFFFAOYSA-N 323.396 2.524 0 50 DFAA O=C(Nc1ccnc2ccnn12)N[C@@H](c1ccccn1)C1CCC1 934981225 FLGRIBJOUHVJSO-MRXNPFEDSA-N 322.372 2.787 0 50 DFAA CC(C)Cn1c(NC(=O)c2ccc(=O)n(C)c2)nc2ccccc21 2100543165 NPKVMZPQJFGAPR-UHFFFAOYSA-N 324.384 2.643 0 50 DFAA COc1cccc(OC)c1CN1CCC2(CC1)CC(C(=O)O)C2 2325787294 QFEXJWUXKDLRRQ-UHFFFAOYSA-N 319.401 2.781 0 50 DFAA CCn1ccnc1CNC(=O)N[C@@H](C)c1cccc2cc[nH]c12 2325807942 LNOIJRDJNYFZMD-LBPRGKRZSA-N 311.389 2.945 0 50 DFAA C[C@@H](N=c1[nH]c(=N)c2ccccc2[nH]1)c1ccc2c(c1)CCCO2 2325858399 LPBWVHJLIANMLG-GFCCVEGCSA-N 320.396 2.962 0 50 DFAA CC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1 73517 OGLQRHNNTLAZKV-UHFFFAOYSA-N 313.357 2.617 0 50 DFAA CN1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1 213243 UXRSBMDMILQLSJ-UHFFFAOYSA-N 312.295 2.507 0 50 DFAA CCCC[C@H](CCC(=O)Nc1ccccc1C(=O)O)C(=O)O 2860411 ULJXHGMYIHCCRR-LLVKDONJSA-N 307.346 2.995 0 50 DFAA COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H]3CCC[C@@H]3N1CC2 4759853 GFMRLSXLFYOCEG-SNPRPXQTSA-N 301.386 2.745 0 50 DFAA COc1cc(CO)ccc1OCC(=O)Nc1ccccc1Cl 4850704 ORVSTOOMAXYLBG-UHFFFAOYSA-N 321.760 2.858 0 50 DFAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCC1 6271289 MYSPTWKILADWRX-UHFFFAOYSA-N 322.430 2.600 0 50 DFAA Clc1ccccc1Cn1ncc2c(-n3ccnc3)ncnc21 6665003 HDVVBOMDJDGHGB-UHFFFAOYSA-N 310.748 2.714 0 50 DFAA COc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 6702830 QEBOZWTUUSMJFG-UHFFFAOYSA-N 309.362 2.655 0 50 DFAA Cc1cc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c(C)s1 111239436 APBJVZSRLHQUNV-GFCCVEGCSA-N 321.320 2.844 0 50 DFAA O=C(NC1CCCC1)C1CCN(C(=O)c2ccccc2F)CC1 9341127 MQRDUUCHCVCGIX-UHFFFAOYSA-N 318.392 2.737 0 50 DFAA O=C(Cc1ccccn1)N1CCC([C@@H](O)c2cccs2)CC1 67771139 YITMYMJZTHJRBS-QGZVFWFLSA-N 316.426 2.658 0 50 DFAA CCn1ncc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1C 14226786 QJCAOOFTXXKIFB-UHFFFAOYSA-N 321.446 2.649 0 50 DFAA Cc1nc(N2CCN3CCC[C@@H]3C2)nc2cc3c(cc12)CCC3 67676453 SZAXMXNSPJFJED-MRXNPFEDSA-N 308.429 2.711 0 50 DFAA 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O=C(c1ccco1)N1CCC[C@@H](N=c2cc[nH]c3ccccc23)C1 1529155102 OAAGVSGXODPZLC-CQSZACIVSA-N 321.380 2.966 0 50 DFAA CC(=O)N[C@H]1CN(c2ccncc2F)C[C@@H]1c1ccc(C)cc1 222122301 QBMGYPOIBDDZQU-WBVHZDCISA-N 313.376 2.638 0 50 DFAA CC[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)Oc1cccc(F)c1 110672920 CLHXISWRGDYCKP-LCGIIJARSA-N 307.365 2.667 0 50 DFAA CO[C@H]1CN(Cc2cc(C(C)C)no2)C[C@H]1Cc1cc(C)no1 1704300561 XKZAYSLDZLIIBM-DYVFJYSZSA-N 319.405 2.784 0 50 DFAA FC(F)(F)[C@H]1[C@H](c2nc(-c3cccnc3)no2)[C@H]2CC[C@H]1O2 1615552244 SPUGBGDXOHBBND-GWOFURMSSA-N 311.263 2.955 0 50 DFAA C[C@H](Oc1ccc([S@](C)(=N)=O)cc1)C(=O)N1CCCCCC1 1615588881 UIKABWFYDFAHQG-WHEQGISXSA-N 324.446 2.892 0 50 DFAA Cc1cc(C[C@H]2CN(Cc3cccc4ncccc34)C[C@@H]2O)on1 1615964997 YLIPOLAZSUFLFM-KXBFYZLASA-N 323.396 2.567 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(-c2ccccn2)cc1 1772701725 MMQOZOYVCBZWKN-CRAIPNDOSA-N 321.424 2.944 0 50 DFAA COc1cc(CN[C@H]2CC(=O)N(CC(C)(C)C)C2)ccc1F 11698470 NKVUPJFFLWMXOM-ZDUSSCGKSA-N 308.397 2.571 0 50 DFAA 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CC(C)Oc1ccccc1CN1CCC[C@H]1c1nc(N)n(C)n1 295148565 FRCHLINNTYEQKT-AWEZNQCLSA-N 315.421 2.522 0 50 DFAA CC[C@@H](NC(=O)c1cc2cc(C)ccc2n1C)[C@H]1C[C@H](O)C1 244723499 MCTCAUKSNHSIDK-BPLDGKMQSA-N 300.402 2.766 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)C(C)(C)O1 183076238 XUDFEZQBAZAXCP-CQSZACIVSA-N 315.373 2.813 0 50 DFAA C[C@@H](Cn1ccnc1)NC1CCN(Cc2ccc(F)cc2)CC1 534650580 RMDOBCLQUNWYHP-HNNXBMFYSA-N 316.424 2.665 0 50 DFAA CCn1c(CCNC(=O)C[C@H]2CC2(F)F)nc2ccccc21 534652352 UDRANGGZRDGKDF-NSHDSACASA-N 307.344 2.760 0 50 DFAA O=C(Nc1ccccc1)c1ccncc1I 4099962 TUOQFDBOJKYAQL-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA CC[C@@H](NC(=O)c1csc(NC)n1)c1nc(C)c(C)s1 584901899 CDRBFFVMJFRRAR-SECBINFHSA-N 310.448 3.139 0 50 DFAA COC[C@@H]1C[C@@H](OC)CN1c1cc(C(C)(C)C)nc(Cl)n1 872541176 ATEIEBXHOOGYDB-WDEREUQCSA-N 313.829 2.668 0 50 DFAA COc1ccccc1C(C)(C)NC(=O)NCc1nocc1C 952994462 PNBFRRQNMDLAME-UHFFFAOYSA-N 303.362 2.726 0 50 DFAA O=C(Nc1nc(-c2ccccc2F)co1)C1(F)CCOCC1 875653250 YXDRFELJCCBIOX-UHFFFAOYSA-N 308.284 2.938 0 50 DFAA CO[C@](C)(C(=O)O)C(=O)Nc1cccc(OC2CCCCC2)c1 1875267398 ZYQWFJCCWKWPRV-KRWDZBQOSA-N 321.373 2.826 0 50 DFAA Cc1nnc([C@H]2CCCN(Cc3nnc(C(C)C)o3)[C@H]2C)o1 886078474 UTWYDAXIGDQVCX-JQWIXIFHSA-N 305.382 2.653 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@]2(C)CCCO)c1 867140324 WLWUBTXBKBDUMF-SFHVURJKSA-N 316.401 2.578 0 50 DFAA CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cnc2nccn2c1 1438027809 YLNXDOBYFHXMIW-UHFFFAOYSA-N 314.320 2.665 0 50 DFAA Cc1cccc2c(O)c(C(=O)N[C@@H]3CCCOCC3)cnc12 185911559 CRPXIVOTOCAONR-GFCCVEGCSA-N 300.358 2.548 0 50 DFAA Cc1noc(C)c1NC(=O)N1Cc2ccccc2NC(=O)[C@H]1C 585138229 XBOLFKBWPHUPKP-SNVBAGLBSA-N 314.345 2.666 0 50 DFAA CCC(C)(C)NC(=O)[C@@H](C)n1cc(-c2cncc(Cl)c2)nn1 640910194 SINZEAZEABPCPI-SNVBAGLBSA-N 321.812 2.859 0 50 DFAA CC[C@H](SC)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 190645503 VBPBHDDQZPIJKM-CVEARBPZSA-N 321.490 2.504 0 50 DFAA CN(Cc1ccnc(N)c1)C[C@H]1CCN(Cc2ccccc2)C1 191520160 WLFSPDHUFLRYIV-GOSISDBHSA-N 310.445 2.618 0 50 DFAA COc1ncncc1CN1CCCCC[C@H]1c1c(C)n[nH]c1C 648035446 DDITXAYIUHTBDZ-HNNXBMFYSA-N 315.421 2.942 0 50 DFAA NC(=O)NC1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 194614684 VLOOGPYQRGWBDX-UHFFFAOYSA-N 316.232 2.669 0 50 DFAA Cc1ccc([C@H](C)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(C)n1 670158480 AOJDLPPAFYJLAK-LESCRADOSA-N 318.461 2.917 0 50 DFAA Cc1cc(N2CCn3c(cc4ccc(Cl)cc43)C2)nc(N)n1 774749757 JVQLBCNMWHYIKK-UHFFFAOYSA-N 313.792 2.996 0 50 DFAA CCCn1ncc(C)c1NC(=O)c1cc2ccccc2n(C)c1=O 1506422559 CWRIWNPRCDJSHC-UHFFFAOYSA-N 324.384 2.706 0 50 DFAA Cc1cc(NCc2n[nH]c3c2CCC3)nc(N2CCCCC2)n1 1529173026 KZEPDIJVNAKGOY-UHFFFAOYSA-N 312.421 2.599 0 50 DFAA CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc1 460370 LVNAYUGSGHWGDK-RMKNXTFCSA-N 314.429 2.721 0 50 DFAA CCn1ncnc1[C@H](C)Nc1cc(C)nc(N2CCCCC2)n1 1704352159 UNMXTBHJPGIFTI-ZDUSSCGKSA-N 315.425 2.560 0 50 DFAA O=C(Nc1cccc([C@@H](O)C(F)(F)F)c1)[C@@H]1CCCCO1 1615605917 PFJZQHCOFIGAAO-NWDGAFQWSA-N 303.280 2.790 0 50 DFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](Nc2ccccc2)C1 11938214 CMSSKQNVFWTJTP-MRXNPFEDSA-N 313.401 2.937 0 50 DFAA C[C@H](C(=O)NCc1cccnc1Oc1ccccc1)n1cccn1 12207919 UEYLGCJDMRWZJA-CQSZACIVSA-N 322.368 2.948 0 50 DFAA CCN(CC)C(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 13598873 RFMYFXPTGJOZNB-UHFFFAOYSA-N 318.446 2.523 0 50 DFAA Cc1cnccc1N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1857737146 ZCWAMUGQXGKZNU-UZLBHIALSA-N 319.408 2.978 0 50 DFAA Cn1c(-c2nc(-c3ccccn3)no2)cc2ccccc2c1=O 349757180 LPKPKTPNAOLNQG-UHFFFAOYSA-N 304.309 2.651 0 50 DFAA Cc1ccccc1C1(C(=O)N2CC(CO)(c3ccccc3)C2)CC1 412771726 IGBWBRXFOUTPIH-UHFFFAOYSA-N 321.420 2.799 0 50 DFAA CO[C@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)[C@H](C)C1 225645254 HUAUISBFTQDWLI-HIFRSBDPSA-N 323.400 2.795 0 50 DFAA CCC(CC)[C@H]1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1 150840084 RXLXQOVKNCLAMT-LBPRGKRZSA-N 317.389 2.723 0 50 DFAA COc1cccc(Cl)c1CC(=O)N1CCC[C@H]1c1ncc[nH]1 372799392 HCZMADGXIAAZAS-ZDUSSCGKSA-N 319.792 2.978 0 50 DFAA Cc1nn(C)c(C)c1CN(c1ccccn1)[C@H]1CC[C@H](N)CC1 585140972 MVZGZMDJTZKDAU-WKILWMFISA-N 313.449 2.708 0 50 DFAA CCc1onc(C)c1NC(=O)NC[C@@](C)(O)c1cccc(F)c1 930574566 WRVHHWWENQZMNS-MRXNPFEDSA-N 321.352 2.714 0 50 DFAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1cc(-c2ccccc2)on1 2100477076 CEVIBCDOKPOANI-CYBMUJFWSA-N 311.385 2.650 0 50 DFAA Cc1cn(CC(=O)N[C@H](c2cnn[nH]2)C(C)C)c2ccccc12 2325791222 CLFWZNZVVYIZKG-KRWDZBQOSA-N 311.389 2.581 0 50 DFAA Cc1cc2nccnc2cc1-c1cncc(N[C@@H]2CCCNC2)n1 2325796843 UQDSKBPRCPTXHI-CYBMUJFWSA-N 320.400 2.559 0 50 DFAA CC1(C)CCC[C@]1(C)NC(=O)c1csc(C[C@H]2CCNC2)n1 2325828819 SAGLWMLLBOVWRD-PXAZEXFGSA-N 321.490 2.994 0 50 DFAA C[C@H]1CN(C)C[C@@H]1NC(=O)c1cc2cc(Cl)ccc2n1C 2325870988 XWTKBTIOJDHCOO-GWCFXTLKSA-N 305.809 2.512 0 50 DFAA Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21 209172 GPMVZURTJOIQHZ-UHFFFAOYSA-N 304.400 2.761 0 50 DFAA COc1cc(C(=O)Nc2cc(C)ccn2)cc(OC)c1OC 263716 AETPHONDBCMLQB-UHFFFAOYSA-N 302.330 2.668 0 50 DFAA COc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl 271749 QNMMFWSKGZNTBC-UHFFFAOYSA-N 304.655 2.913 0 50 DFAA CC(=O)NCCc1nc2ccccc2n1CCc1ccccc1 1424704 PLHQDIXWDFDLEZ-UHFFFAOYSA-N 307.397 2.958 0 50 DFAA COCCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 1672933 JFPNLTTUDDCBBG-UHFFFAOYSA-N 317.780 2.917 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 4011388 ZXNXSHQDXNFBFW-CYBMUJFWSA-N 308.765 2.921 0 50 DFAA CCCCNS(=O)(=O)c1ccc(C)c(Br)c1 4369293 CKNIVAHVDJSPNA-UHFFFAOYSA-N 306.225 2.836 0 50 DFAA in-vitro Cc1ccc(O)c(NC(=O)c2nn3cccnc3c2Cl)c1 4810903 ZJVBGCCCBXUKNZ-UHFFFAOYSA-N 302.721 2.649 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccccn2)(C(=O)O)C1 6417006 QLRFGRWPXIPAGX-KRWDZBQOSA-N 320.389 2.726 0 50 DFAA CCCCc1nnc(SCC(=O)Nc2ccccc2)n1C 6700883 HYWROICJRPCOHR-UHFFFAOYSA-N 304.419 2.889 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)NC2CCCCC2)C1 6738328 KGQSSWVILYSYIU-INIZCTEOSA-N 302.374 2.637 0 50 DFAA CC(C)Cc1nnc2sc([C@@H]3COc4ccccc4O3)nn12 11278949 RPOKQKMEKAXTQE-LBPRGKRZSA-N 316.386 2.897 0 50 DFAA CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 15108710 YSAKNTJIXVJGLM-UHFFFAOYSA-N 323.396 2.897 0 50 DFAA CCCN1CCN(C(=O)[C@H](CC)Oc2ccccc2C)CC1 20472664 UMHPQCDHFGKDRU-INIZCTEOSA-N 304.434 2.707 0 50 DFAA COc1cc(C)c(-c2nc(CN3CC[C@@H](O)C3)c(C)o2)cc1C 67714211 CTCCVQOSKSZLLJ-CQSZACIVSA-N 316.401 2.842 0 50 DFAA CC(C)[C@H]1CN(Cc2ccccn2)CCC(=O)N1CC1CC1 71759723 CHAIMFQBQYRNOK-QGZVFWFLSA-N 301.434 2.551 0 50 DFAA Cc1nc2c(c(N3CCC(Oc4ccccc4C)CC3)n1)CNC2 72168577 FFRYOUYVYGPPEG-UHFFFAOYSA-N 324.428 2.744 0 50 DFAA O=C(c1ccoc1)N1CCC[C@H]1c1nc(-c2ccccn2)no1 77353250 MILJJFNQOUDAHD-ZDUSSCGKSA-N 310.313 2.702 0 50 DFAA CNc1ncc(CN(C)C(=O)c2[nH]c3ccc(C)cc3c2C)cn1 92022831 JIPKLDBETWDVCS-UHFFFAOYSA-N 323.400 2.889 0 50 DFAA O=C(NC[C@H]1CCOc2ccccc2C1)c1ccn(C(F)F)n1 95386759 WFZSHHHMFVSFDN-NSHDSACASA-N 321.327 2.649 0 50 DFAA CN1CCN(Cc2ccc(-c3cc4ccccc4n3C)nc2)CC1 97660508 DXYMMRYZNMLHHF-UHFFFAOYSA-N 320.440 2.988 0 50 DFAA Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1 100002102 WUKMIBOGGXMBAC-UHFFFAOYSA-N 322.364 2.879 0 50 DFAA in-vitro CC(C)OC[C@H](O)COc1ccc2c(c1)OC(C)(C)CC2=O 112223692 FZEIJZFMCZXESB-LBPRGKRZSA-N 308.374 2.595 0 50 DFAA COc1cccc(-c2cc(NC(=O)c3cccnc3)n(C)n2)c1 119501018 COOALFYUPUXBAK-UHFFFAOYSA-N 308.341 2.743 0 50 DFAA C[C@H](C(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1 123906979 INDMGZZZALODIY-YOEHRIQHSA-N 308.381 2.712 0 50 DFAA CC[C@H](CSC)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12 125528856 SZVXXENNJDEQKS-LLVKDONJSA-N 319.430 2.706 0 50 DFAA O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCc2occc21 133385035 RASZQMRWVYCMII-HOCLYGCPSA-N 314.385 2.560 0 50 DFAA CCCc1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 153901697 JCIQSPCHJRQKBR-AWEZNQCLSA-N 303.406 2.758 0 50 DFAA C[C@H](C(=O)OCCNc1cccnn1)c1c(F)cccc1F 155889885 YAEONPHQGYSDNI-JTQLQIEISA-N 307.300 2.514 0 50 DFAA CNC[C@@H]1CCCN(C(=O)CCCOc2ccc(C)c(C)c2)C1 159111123 AKDCBVMNBHVFQI-KRWDZBQOSA-N 318.461 2.920 0 50 DFAA CC(C)n1nnnc1C[S@](=O)CCC1C[C@H](C)C[C@@H](C)C1 170030967 ZVFBJXDNQFLPEG-SQHYZVFZSA-N 312.483 2.965 0 50 DFAA CNC(=O)CCCC(=O)N[C@H]1C[C@@H]2CCCc3cccc1c32 170602341 WUQLEFWSICQIBX-ZFWWWQNUSA-N 300.402 2.584 0 50 DFAA CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cn[nH]c1C 172384351 AUDNADVKEFWWAB-IINYFYTJSA-N 307.781 2.878 0 50 DFAA Cc1ccc(OCCCN2CCC[C@@]23CCOC3=O)cc1C 186645004 KQCUPEUBVVVKRW-SFHVURJKSA-N 303.402 2.854 0 50 DFAA CN(CC1(CO)CC1)C(=O)N[C@H](c1ccccc1)c1ccco1 186846757 JMYWJDREEODIBS-MRXNPFEDSA-N 314.385 2.783 0 50 DFAA CN(Cc1cnc(-c2ccccc2)s1)C[C@H]1COCCO1 215680733 BJRHDOHIWYNJAG-AWEZNQCLSA-N 304.415 2.657 0 50 DFAA C[C@@H]1CCCN(CCOc2ccc(CN3CCOCC3)cc2)C1 215971981 PAJWZQMQUDFUJX-QGZVFWFLSA-N 318.461 2.630 0 50 DFAA CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 221814543 IHOMRUFVQIAWJV-FRRDWIJNSA-N 308.451 2.583 0 50 DFAA CCOC(=O)[C@@]1(C)CCN(C(=O)c2c(F)ccc(F)c2F)C1 225396196 GEIVTNKMZWURMF-HNNXBMFYSA-N 315.291 2.519 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(F)c(F)c1F 226818512 IFMXQCVBFZJKLY-UHFFFAOYSA-N 318.295 2.957 0 50 DFAA CNCC1CCN(C(=O)/C=C/c2cc(Cl)ccc2OC)CC1 237343997 QQVOEMQXXVRCAJ-ZZXKWVIFSA-N 322.836 2.820 0 50 DFAA Cc1ccc(C)c([C@H](C)NC(=O)CN(C)Cc2cc(C)on2)c1 244794624 QQPQRNBIFVTESA-HNNXBMFYSA-N 315.417 2.909 0 50 DFAA C[C@@H]1CN(CC(=O)N2CCC[C@H]2c2cccs2)[C@H](C)CO1 247965706 QHXIYKHTJRFLAB-MCIONIFRSA-N 308.447 2.521 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 248082596 AQGXOOIZKBERQY-DLBZAZTESA-N 324.428 2.571 0 50 DFAA COC[C@H](C)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1 252492970 MYMBYBAPBBPPDO-OGCZYDBJSA-N 317.429 2.769 0 50 DFAA CSc1ccsc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262375922 BQNNSSVQTULSOK-SECBINFHSA-N 311.428 2.797 0 50 DFAA C[C@H](CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)C1CCNCC1 262601890 AHLBCSDWQTYWEN-QHLBKBKOSA-N 304.478 2.953 0 50 DFAA O=C(c1cc2c(s1)CCOC2)N1CCCC[C@H]1c1cc[nH]n1 285992763 LXPKDBKTIFYCLL-ZDUSSCGKSA-N 317.414 2.911 0 50 DFAA CC(C)N(C(=O)/C=C/c1cnc2ccccc2n1)[C@H]1CCOC1 291600086 GFKCBTHMLNDNQD-KIUWMYQTSA-N 311.385 2.669 0 50 DFAA CCCn1ccnc1CNC(=O)Nc1ccc(OC)cc1C 299775632 GERYVSIWHFMLKO-UHFFFAOYSA-N 302.378 2.932 0 50 DFAA COCCCn1c(C)cc(=O)c(C(=O)O)c1CC1CCCC1 299791176 DUOVEQLSATWWKN-UHFFFAOYSA-N 307.390 2.624 0 50 DFAA Cn1cnnc1[C@@H]1CCCN(c2ncncc2-c2ccccc2)C1 328834238 LVVZIJHCBHZCNQ-OAHLLOKOSA-N 320.400 2.656 0 50 DFAA O=S(=O)(NC[C@@H]1CCCc2ccccc21)c1cncc(F)c1 332175048 SWIKEFJCLQASJD-ZDUSSCGKSA-N 320.389 2.619 0 50 DFAA C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccnn1C 421534466 LJALRAWIBYXPQR-OLUVUFQESA-N 321.783 2.988 0 50 DFAA O=C(NCc1cnc2c(c1)CCC2)[C@@H]1Cc2ccccc2S1 426465424 HJXAIJDVTDCUJD-KRWDZBQOSA-N 310.422 2.904 0 50 DFAA CCOc1cccc(CN2CC(C)(CO)C2)c1OC(F)F 459625906 ZGHPTYBFLYUODX-UHFFFAOYSA-N 301.333 2.501 0 50 DFAA CC[C@H](C)c1ccccc1OCC(=O)NC(C)(C)C(=O)N(C)C 557535546 OCZIYBZFMKELEA-ZDUSSCGKSA-N 320.433 2.562 0 50 DFAA O[C@@H]1CCC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)C1 604881693 MCLXYUFLDAGOBU-CHWSQXEVSA-N 310.401 2.743 0 50 DFAA CC(=O)Nc1cc(C(=O)Nc2cnn(C)c2C(F)F)ccc1C 677606867 NKESSZGJJHGPAW-UHFFFAOYSA-N 322.315 2.877 0 50 DFAA O=C(O)CCN(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc21 678974169 UUEUWCSXEYPVJU-QGZVFWFLSA-N 309.365 2.830 0 50 DFAA Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c(C)c1 828055720 PXJXUQQJAGMPOV-PMPSAXMXSA-N 312.413 2.960 0 50 DFAA O=C(NC1CCN(CC2CCCC2)CC1)c1nccnc1Cl 863948187 RZUFVLKYZVZOQS-UHFFFAOYSA-N 322.840 2.514 0 50 DFAA Cc1c(N[C@@H]2CCOC3(CCOCC3)C2)cnn1CC(C)C 894372697 MOPRBQQETVTBFM-OAHLLOKOSA-N 307.438 2.988 0 50 DFAA CCn1cnc2c(Nc3ccc([C@@H](C)CC(N)=O)cc3)ncnc21 897087810 YSSBFGPPOHOUGS-NSHDSACASA-N 324.388 2.569 0 50 DFAA Cc1ccc(-c2noc([C@@H]3NCCOc4ccccc43)n2)nc1C 904736737 TUFGOAPEEZITES-MRXNPFEDSA-N 322.368 2.820 0 50 DFAA Cc1cncc(CCC(=O)N2C[C@@H](C(=O)O)c3ccccc32)c1 909579761 VERPRSHKNYDHSO-OAHLLOKOSA-N 310.353 2.538 0 50 DFAA Cc1ccc([C@H](C(=O)N2CC(c3ccncc3)C2)N(C)C)cc1 952984408 LAIZFSMEDGEZGU-GOSISDBHSA-N 309.413 2.619 0 50 DFAA CC(C)c1noc(C2CCN(c3noc(C4CC4)n3)CC2)n1 1506424083 YLZWVFVVMYJOFP-UHFFFAOYSA-N 303.366 2.837 0 50 DFAA CCc1c(C)noc1NC(=O)C1CCN(Cc2ccco2)CC1 1529105542 FXEGKTOCGBPRCG-UHFFFAOYSA-N 317.389 2.989 0 50 DFAA O=C(NCCOc1cccc2cccnc12)[C@H]1C[C@H]2C=C[C@@H]1C2 1565530316 LNYRUKNEKYOSTP-IMJJTQAJSA-N 308.381 2.942 0 50 DFAA CCOCCN(C[C@@H](C)C(=O)O)C[C@@H]1CCOc2ccccc21 1615002689 HIJMXXRZUMDUAL-CABCVRRESA-N 321.417 2.612 0 50 DFAA CCc1cc(NC(=O)NCc2ccc3c(c2)C[C@@H](C)O3)no1 1771949514 GVYXVOIYVVLSFB-SNVBAGLBSA-N 301.346 2.882 0 50 DFAA C[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC1CC1 1775999481 ULJMFZDRMVETTQ-VIFPVBQESA-N 316.327 2.780 0 50 DFAA O=C(c1ccccc1OC[C@@H]1CC2CCN1CC2)N1CCCC1 1857681274 GHUGGVAVGGYBBW-INIZCTEOSA-N 314.429 2.786 0 50 DFAA CO[C@@H]1CC[C@H](c2nc(C)nn2-c2ccccc2Cl)C[C@H]1N 1857717317 RCPDSIRNBKHIIR-NJZAAPMLSA-N 320.824 2.839 0 50 DFAA COc1nscc1[C@@H](C)NCc1nn(C)c2ccccc12 1875285118 CQYDSDZKOKZPRV-SNVBAGLBSA-N 302.403 2.889 0 50 DFAA Cc1ccc(N[C@H](C)c2cnc[nH]2)cc1-c1nnnn1C1CC1 1875285497 OZBQCCJUGKHCOL-LLVKDONJSA-N 309.377 2.880 0 50 DFAA CC(C)C(C(=O)N1CCc2c(ccnc2N(C)C)C1)C(C)C 1875329253 MUDBEDIRQRDILI-UHFFFAOYSA-N 303.450 2.961 0 50 DFAA Cn1cc(NCc2ccc(=O)n(C)c2)c(C2CCCCC2)n1 2325779912 PUMLNWKAMHKROC-UHFFFAOYSA-N 300.406 2.779 0 50 DFAA Cn1nc2ccccc2c1-c1noc([C@]2(C)CNC(C)(C)C2)n1 2325809111 GVKXFKRFOFGRDQ-KRWDZBQOSA-N 311.389 2.653 0 50 DFAA Cc1[nH]nc(CN2CCC[C@]23CCCN(C(C)C)C3=O)c1Cl 2356151746 XKOQMZHKQIFCJL-MRXNPFEDSA-N 324.856 2.737 0 50 DFAA CC(C)N1CCC[C@]2(CCCN2Cc2cc(C3CC3)on2)C1=O 2356162444 CIKVGLSRMBEDLG-GOSISDBHSA-N 317.433 2.917 0 50 DFAA CN(C)c1cccc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)c1 2356146830 XDTAMAZZDORRAN-LJQANCHMSA-N 324.428 2.596 0 50 DFAA CCCN1Cc2nnc(Cc3c[nH]c4ccccc34)n2[C@H](C)C1=O 2356160277 LBEFJINENMXOFF-GFCCVEGCSA-N 323.400 2.663 0 50 DFAA O=C(N[C@H]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 4487900 LNOCHTRCSYMJBI-INIZCTEOSA-N 309.365 2.745 0 50 DFAA COc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 4858688 KYAUPRNDNDZFNU-UHFFFAOYSA-N 323.352 2.984 0 50 DFAA COc1ccc(NC(=O)CSc2nc(C)cc(O)n2)c(C)c1 9143531 OJJSEJZQKNGDIU-UHFFFAOYSA-N 319.386 2.538 0 50 DFAA COc1ccccc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 20403912 PSMHLJMQYMBZDC-MRXNPFEDSA-N 324.380 2.939 0 50 DFAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1onc2ccccc12 67788739 JVGDLYVBNLDLGT-OAHLLOKOSA-N 321.380 2.614 0 50 DFAA C[C@H](Cc1nc(Cc2c(F)cccc2F)no1)n1ccnc1 351416847 SUNKAQHQGPLRBF-SNVBAGLBSA-N 304.300 2.939 0 50 DFAA O=C(O)/C=C\C(=O)Nc1cccc(NC(=O)c2cccs2)c1 32636314 UPASCNJZMFGIJZ-SREVYHEPSA-N 316.338 2.580 0 50 DFAA CCC[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)NC 215006703 YXTSZGSTKXTQCN-GFCCVEGCSA-N 319.792 2.533 0 50 DFAA CNC(=O)[C@@H]1CCCCN1Cc1cnc(C2CCCCC2)nc1 216191950 ZOOZFNXAMJQTTJ-INIZCTEOSA-N 316.449 2.625 0 50 DFAA CO[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 331774576 CTOVYSWUSXZZOV-SOUVJXGZSA-N 305.422 2.895 0 50 DFAA COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(C(=O)O)CC1 237252248 IPROGIWKKJDTDT-GORDUTHDSA-N 323.776 2.685 0 50 DFAA CCOc1ccncc1S(=O)(=O)N1CCCC2(CCCC2)C1 333273017 CUOLMDQZQWYWEA-UHFFFAOYSA-N 324.446 2.825 0 50 DFAA Cc1nc2ccccc2c(C)c1C(=O)N1CCN(C(=O)C2CC2)C1 333708184 IAERFFZXBBAFMV-UHFFFAOYSA-N 323.396 2.504 0 50 DFAA CCc1noc(-c2cccc(-n3ccnc3[C@@H]3CCOC3)c2)n1 77437115 NXDJYPSHLHBRIO-CYBMUJFWSA-N 310.357 2.989 0 50 DFAA CCCCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](N)C2)cc1 71749685 XBYWXNQTKATDSG-HUUCEWRRSA-N 310.463 2.577 0 50 DFAA CCCCO[C@H]1C[C@@H](NCC(=O)N2CCCCCC2)C1(C)C 253431918 YNWQUIGVDQTAPG-CVEARBPZSA-N 310.482 2.962 0 50 DFAA C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccc(-n2cncn2)cc1Cl 480756949 LACHFVDAAMHISL-HFBAOOFYSA-N 320.824 2.875 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)/C=C(\C)C2CC2)c1 282661889 YORKGBDDTGLXMD-XUMBHXRASA-N 301.386 2.686 0 50 DFAA Cc1ccccc1O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 30860865 ZTVKBYRNNKGVMX-ZDUSSCGKSA-N 310.353 2.748 0 50 DFAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccncc1O 215801228 ZMHRCRUFORMBBT-QGZVFWFLSA-N 323.327 2.841 0 50 DFAA O=C(N[C@H]1CCCc2occc21)N1CCN2CCCC[C@H]2C1 241961324 URLVFVKAIMWIHO-ZFWWWQNUSA-N 303.406 2.537 0 50 DFAA Cc1cc(NCc2ccccc2-n2cncn2)n2nc(C)cc2n1 72474758 KIVXSAUGCFIVPL-UHFFFAOYSA-N 319.372 2.539 0 50 DFAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Nc1ccccc1SC 222490073 ULUFOCKNRDSCIG-DRABBMOASA-N 322.430 2.580 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)CCC(=O)c2ccccc2)C1 82114892 PCWQVPQVGCFJNY-OAHLLOKOSA-N 314.429 2.735 0 50 DFAA C[C@@H]1CN(C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl 229806865 JVPCVSWQSZPWIR-QMTHXVAHSA-N 303.233 2.663 0 50 DFAA Cc1c(Cl)cc(C(=O)N(C)C[C@@H]2COCCO2)cc1Cl 91846707 TXPOVIVYMLTRIM-LLVKDONJSA-N 318.200 2.789 0 50 DFAA Cc1ccc(C)c2c(=O)cc(CN[C@@H](C)Cc3cnccn3)[nH]c12 91593629 LFOXNFJKCBXCIS-AWEZNQCLSA-N 322.412 2.656 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)CCCn2ccnc2)C1 91934567 NYJPIFUQCDLKAG-UHFFFAOYSA-N 313.401 2.570 0 50 DFAA CC[C@H](C(=O)NC1(c2cc(F)ccc2F)CC1)n1cccn1 91997353 CARPRQYHPCECJO-CQSZACIVSA-N 305.328 2.918 0 50 DFAA C[C@@H](C(=O)NC1CCCC1)N(C)Cc1nc2ccc(F)cc2[nH]1 252485186 GOUIFQIGWZRSBL-NSHDSACASA-N 318.396 2.581 0 50 DFAA CC(=O)N1CCCC[C@@H]1C(=O)NC1(Cc2ccccc2C)CC1 534640923 OQNKDGFGHMYHQC-QGZVFWFLSA-N 314.429 2.587 0 50 DFAA O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H]2NCCC[C@@H]2C1 299792899 GYDPMJWLFQTLTM-TZMCWYRMSA-N 312.335 2.920 0 50 DFAA Cc1cccc(-c2ccc(C(=O)O)c(N3CCC(O)CC3)n2)c1 299801026 XXSCWPWYDQXQCT-UHFFFAOYSA-N 312.369 2.716 0 50 DFAA O=C1CCCCN1CCCC(=O)N1CCC(C(F)(F)F)CC1 827908332 HAWNHTWZWITZBB-UHFFFAOYSA-N 320.355 2.580 0 50 DFAA Cc1c(NC(=O)c2ccc3c(c2)CCO3)cccc1C(=O)N(C)C 823639137 BSSSOGUJLIHXOD-UHFFFAOYSA-N 324.380 2.884 0 50 DFAA O=C(O)[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@@H]1C1CC1 1550346218 VQUFJOBWGYNKDE-ZJUUUORDSA-N 315.200 2.931 0 50 DFAA CSCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 269074531 WDJAKARMFVLZJG-KBMXLJTQSA-N 306.475 2.547 0 50 DFAA CCOc1cc(Cl)ccc1NC(=O)N[C@]1(C)CCOC1=O 952964485 RZOWTAAEKYTJQY-CQSZACIVSA-N 312.753 2.566 0 50 DFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)Cc3ccccc3F)C2)o1 952890662 FXNKAIOAWPDEGQ-OCCSQVGLSA-N 317.364 2.587 0 50 DFAA O=C(O)CCCCCCCC(=O)N1CCOC[C@@H]1CC(F)F 1875313366 LJXQECUNDPXESG-LBPRGKRZSA-N 321.364 2.684 0 50 DFAA O=C1CCCN1[C@H]1CCC[C@@H](N=c2c(F)c[nH]cc2Cl)C1 1875392786 UOMFRQNMVOQGQE-MNOVXSKESA-N 311.788 2.642 0 50 DFAA Cc1ccc(-c2ccccc2)cc1C(=O)NCCO[C@@H]1CCNC1 1875304226 DLMJAPBYCMLDEO-GOSISDBHSA-N 324.424 2.770 0 50 DFAA CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ncnc(CC)c2F)C1 271226454 XIJXUBUPXXHOPM-CHWSQXEVSA-N 322.428 2.699 0 50 DFAA Cc1cc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)[nH]n1 186209682 JOYJSHPOJSPFLO-AWEZNQCLSA-N 305.765 2.585 0 50 DFAA O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NS(=O)(=O)c1sccc1Cl 408499742 OQMSZTTXFQXHMP-XHNCKOQMSA-N 319.835 2.643 0 50 DFAA CCCCCNC(=O)c1nc(SC)ncc1Br 408517293 FTNPQORMPVDCNT-UHFFFAOYSA-N 318.240 2.881 0 50 DFAA O[C@H](CN1CC[C@@H](Oc2ccncc2)C1)c1cccc(Cl)c1 221932081 MXZCPZKKZPMWIU-IAGOWNOFSA-N 318.804 2.922 0 50 DFAA O=[S@@](Cc1ccc(-n2cccn2)cc1)c1ccc(CO)cc1 170078708 VGQDYWPAFWHEPY-QFIPXVFZSA-N 312.394 2.672 0 50 DFAA C[C@H](O[C@H](C)C(=O)O)C(=O)N1CCCC2(CCCCCC2)C1 634892666 TWRYKDQUEHRPDS-UONOGXRCSA-N 311.422 2.828 0 50 DFAA O=C(CCOCC(F)(F)C(F)F)N1CCc2ccccc21 170610882 WGKFEGCGSDLBQQ-UHFFFAOYSA-N 305.271 2.883 0 50 DFAA Cc1ocnc1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 170777348 HXSBCMICDFWCNG-ZDUSSCGKSA-N 324.739 2.989 0 50 DFAA Cc1noc2cc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)ccc12 585126492 AJKZXMXYJAOTDG-AAEUAGOBSA-N 304.346 2.659 0 50 DFAA C[C@H]1OCCC[C@H]1C(=O)NC(C)(C)c1nc2ccccc2n1C 190332264 CEAMNCHFCJJZBR-CHWSQXEVSA-N 315.417 2.740 0 50 DFAA C[C@@H](CN(C(=O)C[C@H]1CCc2ccccc21)C1CC1)C(=O)O 195552003 AFGDLWLNIUEPGC-GXTWGEPZSA-N 301.386 2.818 0 50 DFAA CC[C@@H](C(=O)Nc1ccc(C)cc1)N(C)CC1(CO)CCC1 1506411174 ZMQZJWXPJLBNGL-INIZCTEOSA-N 304.434 2.807 0 50 DFAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)Cn1ccc(=O)cc1 1506396974 PZARGRTYIFUCPZ-FQEVSTJZSA-N 324.424 2.675 0 50 DFAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C)cc1F)C2 213277392 DRGOYLNXPVILBV-KGLIPLIRSA-N 318.392 2.607 0 50 DFAA Nc1noc2ccc(CN3CCO[C@H](Cc4ccccc4)C3)cc12 1615001356 RFTKSRYEHDBRNH-MRXNPFEDSA-N 323.396 2.854 0 50 DFAA COC(=O)C[C@H](NC(=O)c1cc(C)ccc1C)c1ccccn1 1615613595 BBEHBMDFTGTYHF-INIZCTEOSA-N 312.369 2.733 0 50 DFAA COc1ccc(C2=NO[C@H](C(=O)NCCc3ccccc3)C2)cc1 5029143 IWFSEVBMHNRQPV-SFHVURJKSA-N 324.380 2.547 0 50 DFAA biogenic O=C(NCc1cccnc1Oc1ccccc1F)c1c[nH]cn1 12300380 HWQYZWSMQSQZJX-UHFFFAOYSA-N 312.304 2.666 0 50 DFAA CCc1cc(C(=O)N2CCN(Cc3ccco3)CC2)cs1 16604465 IEPUASGDVHXRGS-UHFFFAOYSA-N 304.415 2.862 0 50 DFAA CC1CCN(CCN(C)C(=O)c2cc3ccccc3n2C)CC1 19743436 CDRDVECROAHSCL-UHFFFAOYSA-N 313.445 2.982 0 50 DFAA CCC(=O)NCc1ccccc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875251132 XSALRTANVHMSBB-QGZVFWFLSA-N 322.408 2.983 0 50 DFAA COC(=O)[C@H]1CCc2nnc(-c3cccc(Cl)c3)n2CC1 601043963 LAWIYSYIVVCUKX-JTQLQIEISA-N 305.765 2.724 0 50 DFAA CN(C)c1ccc(C(=O)NC[C@@H](CO)C2CCCCC2)cc1 331342765 TYOQHFKKCPDILX-INIZCTEOSA-N 304.434 2.671 0 50 DFAA CCOC(=O)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O 8648558 FLAKCZOPSFMNJL-UHFFFAOYSA-N 301.220 2.603 0 50 DFAA in-vitro CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(CN)cc2)C12CCCC2 236980665 JLCQKSBINRXWGY-IRXDYDNUSA-N 316.445 2.955 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N1CCC(C(=O)O)CC1 237246169 JOEQDNJDOOFPTN-GFCCVEGCSA-N 305.374 2.512 0 50 DFAA CN(C)c1ccnc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c1 128891990 IZGBJIRYQYKJQF-UHFFFAOYSA-N 307.357 2.790 0 50 DFAA Cc1c(S(=O)(=O)N(C)[C@H](C)C2CC2)c2ccccc2n1C 240333501 FDQYABHFMSXOHN-LLVKDONJSA-N 306.431 2.906 0 50 DFAA CC(C)[C@@H]1CN(c2ccc(OCC(F)(F)F)nn2)CCCO1 663947572 QGZYWJZOIIFUNU-NSHDSACASA-N 319.327 2.669 0 50 DFAA COc1ccc([C@H](C)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 252486452 KELHDDJEHLWLSG-HFTRVMKXSA-N 316.445 2.789 0 50 DFAA Cc1ccn(-c2ccccc2CNC(=O)CC[C@H]2CCOC2)n1 152080495 LTGMJSKWYZCREO-HNNXBMFYSA-N 313.401 2.614 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(C(=O)O)s2)n1 263251640 SVMAARZYXMXXIB-LLVKDONJSA-N 321.402 2.527 0 50 DFAA O=CNCc1nc2ccccc2n1CCCOc1ccccc1 4810503 GSGRHKGMGACCFM-UHFFFAOYSA-N 309.369 2.751 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCC3CCC3)CO2)C1 2325809744 FXXQJNLZWLPTTD-PBHICJAKSA-N 310.438 2.545 0 50 DFAA COc1ccccc1NC(=O)[C@@H](C)n1cnc2ccccc2c1=O 99502 WVWSRGQLJMVDBF-GFCCVEGCSA-N 323.352 2.605 0 50 DFAA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 125746 NRUURMSRCIDNPI-UHFFFAOYSA-N 305.355 2.567 0 50 DFAA Cc1cnn(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)c1 2782375 FJQUNWFHBIZELQ-UHFFFAOYSA-N 306.675 2.709 0 50 DFAA O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1 3543201 FSANKFXSCSQHPY-UHFFFAOYSA-N 310.382 2.998 0 50 DFAA COC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1 3830847 CPEUVMUXAHMANV-UHFFFAOYSA-N 313.288 2.533 0 50 DFAA biogenic,world Cc1ccc(S(=O)(=O)CC(=O)N[C@H](C)c2ccccc2)cc1 4842687 WKFUGCAKLRSQGN-CQSZACIVSA-N 317.410 2.646 0 50 DFAA CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCN(C)CC1 6741620 NJUCKTGVTQLAHS-OAHLLOKOSA-N 310.825 2.662 0 50 DFAA Cc1cc2c(=O)n(Cc3ccc4c(c3)OCO4)cnc2s1 32573413 NDELJJLLKPAHCB-UHFFFAOYSA-N 300.339 2.543 0 50 DFAA CCOC(=O)c1ccnc(-c2cc(OC)c(OC)c(OC)c2)c1 35325828 VZFJQRIDOLQYLN-UHFFFAOYSA-N 317.341 2.951 0 50 DFAA CCn1ncc2c1NC(=O)C[C@H]2c1ccccc1Cn1cccn1 65373161 IZEBRNQWUNVSDA-HNNXBMFYSA-N 321.384 2.622 0 50 DFAA O=C1C[C@@H](C(=O)NCCN2CCc3ccccc32)c2ccccc21 67847387 ZRJVMSJEMSDKRV-QGZVFWFLSA-N 320.392 2.536 0 50 DFAA Cc1nonc1C(=O)N(C)Cc1csc(-c2cccs2)n1 72447468 USYNXAOLHJNEKS-UHFFFAOYSA-N 320.399 2.835 0 50 DFAA Cc1nc(CC(=O)N2CC(Oc3ccccc3Cl)C2)cs1 82162075 LXLLLUGHIJGEFY-UHFFFAOYSA-N 322.817 2.937 0 50 DFAA COC[C@H](NCc1ccc(Cn2ccccc2=O)cc1)C(C)C 177931773 NRTAHHFFWDCFHN-SFHVURJKSA-N 314.429 2.657 0 50 DFAA O=C(Cc1c(F)cccc1Cl)N1CCCC[C@@H]1c1nc[nH]n1 181194902 LJIWRFUQSQRDGM-CYBMUJFWSA-N 322.771 2.894 0 50 DFAA Cn1cnnc1CNC(C)(C)c1ccc(OC(F)(F)F)cc1 191695700 ORZHJVIYRXSXFJ-UHFFFAOYSA-N 314.311 2.739 0 50 DFAA Cc1cnc(CCN(C)[C@H]2CCc3ccccc3NC2=O)s1 192130109 HNXHTXGULKCOOY-HNNXBMFYSA-N 315.442 2.879 0 50 DFAA C[C@H](C1CC1)N(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192603159 XAOWXNIGRIBXTL-LLVKDONJSA-N 309.431 2.819 0 50 DFAA Cc1nc(NC(=O)N2CCCCC[C@H]2c2ccco2)n(C)n1 225521845 GZXZZPMNRDRTNX-LBPRGKRZSA-N 303.366 2.866 0 50 DFAA Cn1nncc1C(=O)N1CCCSc2ccc(Cl)cc21 239882071 DACWSPYIHBUYPD-UHFFFAOYSA-N 308.794 2.611 0 50 DFAA C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 240412854 FOIRLJVZPCQAGR-DXCKQFNASA-N 319.376 2.731 0 50 DFAA CN(C)C(=O)c1ccc(CC[C@H]2COc3ccccc3O2)nc1 244852532 UUBLUCQCTQYJEZ-HNNXBMFYSA-N 312.369 2.556 0 50 DFAA C[C@H](CCCO)NC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 252517262 DFEKLWLOUWHYBK-UHOFOFEASA-N 308.397 2.922 0 50 DFAA Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@H]3CCCOC3)C2)c1 253397416 SRZOVHBOZJRVRD-SUMWQHHRSA-N 309.356 2.958 0 50 DFAA Cn1cc([C@H]2CCN(c3ncc(C(F)(F)F)s3)C2)cn1 253417841 JQFKJMXYXILQQB-QMMMGPOBSA-N 302.325 2.889 0 50 DFAA COc1nnc(NC(=O)N2CCC[C@@H]2c2cccs2)s1 253428586 JUHUAFBGQUAIMQ-MRVPVSSYSA-N 310.404 2.977 0 50 DFAA Cc1ccc(Cl)c(S(=O)(=O)NCC(F)F)c1Cl 253429362 RXWIJJSNKUSQPQ-UHFFFAOYSA-N 304.145 2.845 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)NC1[C@H]2CCC[C@H]1CC(N)C2 261703142 UGZFQTWYLGGNCC-QAGNPZNPSA-N 308.466 2.604 0 50 DFAA O=C(O)[C@@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)s1 263387785 FGDQMYFDZQVURG-NSHDSACASA-N 323.805 2.836 0 50 DFAA C[C@H](C(=O)O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 265246395 NAFGHZHSRQPLSJ-KRTXAFLBSA-N 322.163 2.979 0 50 DFAA CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H](C)CCn1cccn1 284463065 ARDUHXRPRDSBHB-VYDXJSESSA-N 317.437 2.559 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@@H](C)[S@@]1=O 288143233 YWIGYLPIKSEXBZ-HIRYEYBUSA-N 320.414 2.508 0 50 DFAA CCOC(=O)c1cc(CN[C@H]2CCc3c(O)cccc32)[nH]c1C 294921972 CSTVCMSYXQCLFS-INIZCTEOSA-N 314.385 2.983 0 50 DFAA CCN(CC(=O)O)C1CCN(Cc2c(C)cccc2C)CC1 296257003 DDOKVQUFXXFKST-UHFFFAOYSA-N 304.434 2.674 0 50 DFAA COc1cccc(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)c1 297144136 VBWSEWDVAWPBKF-RDJZCZTQSA-N 312.369 2.740 0 50 DFAA CCCC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2CN)c1 299772450 YCRRREGYSYUZBZ-HNNXBMFYSA-N 318.421 2.770 0 50 DFAA CCn1c([C@H]2OCC[C@H]2c2ccccc2)nn(CC2CC2)c1=O 328641555 QOSXONSSSUPYTF-HOTGVXAUSA-N 313.401 2.720 0 50 DFAA c1ncn(CC2CCN(c3nc(C4CCCC4)ns3)CC2)n1 333626311 AGVRWKACHSENQA-UHFFFAOYSA-N 318.450 2.704 0 50 DFAA O=C(c1cnc2nccnc2c1)N1CC[C@@H](c2ccccc2)C1 352839196 ISZWXDIELPNELE-CQSZACIVSA-N 304.353 2.655 0 50 DFAA COCc1cccc(CC(=O)N2c3ccccc3NC(=O)[C@H]2C)c1 373595116 IVJAAEYDDYOSCJ-CYBMUJFWSA-N 324.380 2.749 0 50 DFAA O=C(NOCC(F)(F)F)N1CC[C@@H](Cc2ccc(F)cc2)C1 378166371 BUKYOQFOMCNGQR-NSHDSACASA-N 320.286 2.894 0 50 DFAA CCC[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)n1cccc1 426420284 WJQUVWXRUHMEIO-HNNXBMFYSA-N 300.358 2.844 0 50 DFAA CCCN(Cc1cccc(OC)c1)C(=O)NCc1ncc[nH]1 426728174 DRUKREFRKFGXCI-UHFFFAOYSA-N 302.378 2.540 0 50 DFAA O=C(NCCc1nc2ccccc2o1)N1CCC(F)(F)CC1 534655949 XJEMNZMLRDRFCI-UHFFFAOYSA-N 309.316 2.811 0 50 DFAA Cc1cc(C)n(CCCC(=O)N[C@H](C)Cc2ncccc2C)n1 584892068 RZWSGQHGKXKIMC-CQSZACIVSA-N 314.433 2.731 0 50 DFAA CC[C@@H](NC(=O)c1nnc2n1CCCCC2)c1ccc(C)cn1 584894169 ISWSSZRBEJTZBK-CYBMUJFWSA-N 313.405 2.589 0 50 DFAA CO[C@H]1CN(c2ccc3cc(F)cc(Cl)c3n2)C[C@H]1OC 645224113 VDQJNCZJTOMDPC-BETUJISGSA-N 310.756 2.877 0 50 DFAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCCc1ccc2[nH]ccc2c1 668103325 IJPPSVZVVFEHLB-FUHWJXTLSA-N 324.428 2.811 0 50 DFAA CC(C)OCC1CCN(C(=O)CC[C@H](C)N2CCCC2)CC1 670451395 VRMZZAYNVORNAD-INIZCTEOSA-N 310.482 2.915 0 50 DFAA O=C(O)C[C@@H](NC(=O)c1ccsc1)c1ccc(F)cc1F 776660462 WMCBFKIJKRIBDL-GFCCVEGCSA-N 311.309 2.972 0 50 DFAA CN(C)[C@@H]1CCCN(Cc2cnn(-c3ccccc3F)c2)CC1 823662624 HUSLFECVZWUDIX-MRXNPFEDSA-N 316.424 2.928 0 50 DFAA COc1ncc(CN2CCC(c3ccccc3OC)CC2)cn1 824851797 IBKDOIHXMBZPGP-UHFFFAOYSA-N 313.401 2.873 0 50 DFAA O=C1C[C@H](c2ncnn2CCc2ccccc2)CN1C1CCCC1 828248214 RZQDUPBIZAQEPI-INIZCTEOSA-N 324.428 2.779 0 50 DFAA O=C(O)CC[C@@H]1CC[C@H](C(=O)N2CCC[C@@]3(CC=CCC3)C2)O1 872707852 BJVUFHCXUWLLKT-DAYGRLMNSA-N 321.417 2.748 0 50 DFAA C[C@@H](C(=O)N1CCC[C@@H](NC2CCOCC2)C1)c1ccccc1 877871918 XNOXZBMFTTWDEN-CRAIPNDOSA-N 316.445 2.550 0 50 DFAA CC(C)(C)c1nc(C(=O)N[C@@H](C(=O)O)c2ccccc2)co1 902050372 NSAQRYNGPBRVGF-GFCCVEGCSA-N 302.330 2.528 0 50 DFAA CCc1cccc(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)n1 913237692 VMBLQOQWIZNQNI-OAHLLOKOSA-N 309.369 2.847 0 50 DFAA CC(C)Cc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 934951021 JKCFLMXQJIBFSV-XJKSGUPXSA-N 316.426 2.730 0 50 DFAA O=C(COc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074573948 JQGPIVJQHQTIKP-ZWKOPEQDSA-N 316.184 2.666 0 50 DFAA CC1=C(C(=O)N2CCC3(CCc4ccccc43)CC2)OCCO1 1506410838 GBLVIXUXLLUQSZ-UHFFFAOYSA-N 313.397 2.771 0 50 DFAA Cc1cc(C)nc(CN(C)c2ccc(C(=O)N3CCCC3)cn2)c1 1529112904 VHNSJUUHODPOTB-UHFFFAOYSA-N 324.428 2.966 0 50 DFAA COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1 1529168167 XKRUGXDVMDDARE-RTBURBONSA-N 313.397 2.630 0 50 DFAA CC(=O)N1CCC[C@H]1C(=O)Nc1onc(C)c1-c1ccccc1 1529173666 OBOKFXNEEVKYJJ-AWEZNQCLSA-N 313.357 2.599 0 50 DFAA C[C@@H]1CN(C(=O)CCCC2(C)N=N2)C[C@@H](CC(F)(F)F)O1 1615056626 LHDXVEUXWABTKD-NXEZZACHSA-N 307.316 2.907 0 50 DFAA CCCC[C@H]1CN(C(=O)c2cc(C)nc(O)c2)C[C@@H](C2CC2)O1 1615958521 VIOLIPUTRZASBU-HOTGVXAUSA-N 318.417 2.905 0 50 DFAA CO[C@@H]1C[C@H](C(=O)N(Cc2ccccc2)CC(C)C)CC[C@@H]1O 1704326286 SYMSKRDIPMGDHR-FGTMMUONSA-N 319.445 2.847 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cccc(O)c3C)C[C@@H]21 1704329298 PPUQGDWXQMDKME-QIIPPGSGSA-N 303.402 2.714 0 50 DFAA C[C@@H](CCn1cccn1)N1CCC(c2ccnc(O)c2)CC1 1772807757 ABEXQIFXFBWKKN-AWEZNQCLSA-N 300.406 2.642 0 50 DFAA COc1c(N)ccnc1-c1ccc(O)c(OC(F)(F)F)c1 1772810609 NGVVFERKFFLXHB-UHFFFAOYSA-N 300.236 2.944 0 50 DFAA CC[C@H](CN(C)C)n1ccnc1-c1cc2ccccc2n(C)c1=O 1857677578 ILGHZTWQDVYIQY-OAHLLOKOSA-N 324.428 2.915 0 50 DFAA C[C@@H]1C[C@H](n2ccnc2-c2ccc3c(c2)OCCO3)CCN1C 1857721568 WBGOYYAWTXIDLV-UKRRQHHQSA-N 313.401 2.977 0 50 DFAA O=C(O)[C@@H]1CC[C@H](C(F)(F)F)N1Cc1ccc(F)cc1F 1875283306 NHCCMFXMVONVAX-WDEREUQCSA-N 309.234 2.945 0 50 DFAA Cn1cc(C[N@]2C[C@H]2COc2cccc(Cl)c2Cl)cn1 1875378381 BIYHNZWKGXFDFJ-JEOXALJRSA-N 312.200 2.990 0 50 DFAA C=CC(=O)N(Cc1cccnc1)Cc1cccc(OC)c1OC 1875384580 UJBSMDOMJQECLP-UHFFFAOYSA-N 312.369 2.814 0 50 DFAA C[C@@H](c1cccc(F)c1)N1CCN(Cc2cccc(N)n2)CC1 2325719297 QWAZOZSCAIVFCV-AWEZNQCLSA-N 314.408 2.682 0 50 DFAA O=C(N[C@H]1C[C@@H](NC(=O)c2ccccc2)C1)OCc1ccccc1 2325757591 ZZACAUPEURSUBS-CALCHBBNSA-N 324.380 2.874 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC(C4CC4)=NO3)cc2)c1C 2325780159 LPXOMKWGVAIBLF-QGZVFWFLSA-N 324.384 2.983 0 50 DFAA C[C@H](NC(=O)c1ccc2cnccc2n1)[C@H](O)C1CCCCC1 2325782840 JZOZAMWYJYYXJG-SJCJKPOMSA-N 313.401 2.689 0 50 DFAA COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2 131132 MDYISWPEGKHZNY-UHFFFAOYSA-N 303.383 2.964 0 50 DFAA COc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1O 427714 ZLAAZFNSTGDKNP-JTQLQIEISA-N 313.309 2.604 0 50 DFAA O=C(CSCC(=O)Nc1ccccc1)NCc1ccccc1 2870181 JVEAUUSKMWZDMJ-UHFFFAOYSA-N 314.410 2.675 0 50 DFAA COCCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 3215669 WSYZVXBYQURUQK-UHFFFAOYSA-N 312.728 2.819 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC 4588453 WFCJLBYDRBYRAY-OAHLLOKOSA-N 318.373 2.666 0 50 DFAA COc1cc(C(=O)Oc2cccc(C=O)c2)cc(OC)c1OC 4599380 QBVCMAGHVHRSSS-UHFFFAOYSA-N 316.309 2.744 0 50 DFAA O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1Cl 4868968 XTYBIRQUSYHDQO-UHFFFAOYSA-N 316.744 2.704 0 50 DFAA C[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 4943175 CLCPIWPAHNVTNV-NSHDSACASA-N 301.371 2.602 0 50 DFAA COc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 7504997 ZIPYYUNMHQVSCN-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA COC[C@H]1CCCN(C(=O)N[C@@H](C)CCc2ccc(O)cc2)C1 113585756 GOTFBZHMKMPYKO-HOCLYGCPSA-N 320.433 2.781 0 50 DFAA CCOCCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 55154624 RNULJHYQIBXGJO-UHFFFAOYSA-N 307.781 2.950 0 50 DFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 59749412 BILDTIVHSYEZHY-UHFFFAOYSA-N 303.406 2.799 0 50 DFAA CC[C@H]1CCCC[C@H]1NC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 420819430 LQWKXSUWWSLGJW-ZQDZILKHSA-N 309.454 2.546 0 50 DFAA CC[C@H](NC(=O)c1nc2c(s1)CCCC2)c1nc(C)no1 1506408997 USBQZLHXCGHKKO-VIFPVBQESA-N 306.391 2.594 0 50 DFAA O=C(c1cc(-n2cccn2)ccn1)N1CC[C@H](c2ccccc2)C1 119571997 CZEVVMRGOQELFA-INIZCTEOSA-N 318.380 2.897 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CC[C@]3(CCCNC3)C2)c1 67724232 OWBKDKCLTBWFRK-INIZCTEOSA-N 308.809 2.564 0 50 DFAA C[C@@H]1CCc2onc(C(=O)Nc3nc4ccccc4n3C)c2C1 6399077 FMILONDZCZHTDI-SNVBAGLBSA-N 310.357 2.938 0 50 DFAA CCc1ccnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 282489859 JRAFNLIUKPZJRG-DOTOQJQBSA-N 314.360 2.731 0 50 DFAA OCc1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 253395615 YJXAAVKSPYOCQK-YJBOKZPZSA-N 319.351 2.765 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OC)nn2)C12CCCC2 253392370 JAUYZYFIJGSRCY-HUUCEWRRSA-N 305.422 2.655 0 50 DFAA COC(=O)[C@H]1CCN(c2ccnc(C(C)(C)C)n2)[C@H]1C(C)C 253433204 TZDCTVFGAPFFLA-JSGCOSHPSA-N 305.422 2.798 0 50 DFAA Cc1n[nH]c(C)c1CCCNC(=O)Cc1ccc(O)c(Cl)c1 218928344 IKCPJFFQHZSNTK-UHFFFAOYSA-N 321.808 2.677 0 50 DFAA CCCc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)co1 282665528 VPMGSPCGYDKQED-ZFWWWQNUSA-N 318.348 2.714 0 50 DFAA CC[C@H](C(=O)Nc1ccc(C(=O)NC)cn1)c1ccc(F)cc1 362572575 JTOHHXZXTQYWFZ-AWEZNQCLSA-N 315.348 2.713 0 50 DFAA COc1ccccc1OC1CCN(C(=O)[C@]2(C)CCCO2)CC1 77471419 YOYWIMVITLVTPQ-SFHVURJKSA-N 319.401 2.634 0 50 DFAA COc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)O)cs2)cc1 237480071 CLYPXCGMZHYIKL-CQSZACIVSA-N 318.398 2.868 0 50 DFAA CSc1nc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)cs1 218843630 XAOUSKMNHQHIMO-HNNXBMFYSA-N 320.439 2.599 0 50 DFAA Cc1nn(C)cc1-c1nn2c(-c3cccs3)nnc2s1 36358796 UOPNVIAVUKWVGQ-UHFFFAOYSA-N 302.388 2.623 0 50 DFAA Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1 237825188 BWGBAXQZHUACAC-INIZCTEOSA-N 324.380 2.936 0 50 DFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ncoc3C)C2)c1 77322002 AZPOMZOSTGPXKU-GFCCVEGCSA-N 316.357 2.630 0 50 DFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)[C@H](O)C[C@@H]12 31703121 UHQGCIIQUZBJAE-RPVYPSMYSA-N 302.414 2.883 0 50 DFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1ccccc1[C@H]1CCNC1 72143683 OUPLRKXRDKLLRD-AWEZNQCLSA-N 324.428 2.636 0 50 DFAA Cc1ccc(NC(=O)CCc2cnn(C)c2)cc1-c1ncco1 130843064 ZXRXVQBBWWXALK-UHFFFAOYSA-N 310.357 2.955 0 50 DFAA Cc1ccc([C@@H](CCO)Nc2ncnc3c2c(C)nn3C)cc1 72470322 SDLBNYNOJYCOCD-CQSZACIVSA-N 311.389 2.516 0 50 DFAA CCn1cc(C2CCN(CCc3ccnn3CC)CC2)cn1 241588504 PDSOZRSOOUVBNL-UHFFFAOYSA-N 301.438 2.542 0 50 DFAA Cc1noc(C)c1CNC(=O)Nc1ccc(OC(F)F)cn1 455579437 VZIGZRNALNXKGD-UHFFFAOYSA-N 312.276 2.610 0 50 DFAA COc1cccc(NC(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1 285766313 RTADFVOLNLAPKT-UKRRQHHQSA-N 303.406 2.786 0 50 DFAA Cc1ccccc1CSCCNC(=O)[C@H]1CCC[C@@H](O)C1 223347986 QHAHDJJWZBALOG-GOEBONIOSA-N 307.459 2.896 0 50 DFAA Cc1cccc([C@H](NC(=O)N[C@H]2CCN(C)C2=O)C(C)(C)C)c1 176290146 LBOLXOIGXUHYMV-GJZGRUSLSA-N 317.433 2.612 0 50 DFAA CCC[C@@H]1CN(Cc2csc(C(C)=O)c2)C[C@H]1NC(C)=O 82119964 UUJMECGGQSSIRT-HUUCEWRRSA-N 308.447 2.687 0 50 DFAA CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H](CN)C1 178543017 RVLXGYZAMXXZGG-JJGIJDNGSA-N 302.418 2.684 0 50 DFAA O[C@@H](COCc1ccco1)CN1CCCc2cc(F)c(F)cc21 178504089 OPXJDXVGEFWZGD-CYBMUJFWSA-N 323.339 2.888 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2cccs2)C1 177819145 NCVSINGWGHBZPZ-AWEZNQCLSA-N 319.430 2.621 0 50 DFAA CCN(CCN1CCCCCC1)c1cc([C@@H]2CCOC2)ncn1 426746118 PMGXRSPLROYLAI-MRXNPFEDSA-N 318.465 2.683 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(N3CCNCC3)nc2)n1 40352006 KHUZHCVCXHWCBP-UHFFFAOYSA-N 321.384 2.517 0 50 DFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccccc2Br)C1 178995645 HVANNPCQJNVACD-NNNHXZLVSA-N 323.234 2.530 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2ccc(Cl)c3cccnc23)C1 179006307 ZNWRLASSHXVPSF-NSHDSACASA-N 303.793 2.570 0 50 DFAA O=C(NCCc1ccncc1)C1CCN(C2CCCCC2)CC1 95377223 USMBMIMQSDKBNJ-UHFFFAOYSA-N 315.461 2.785 0 50 DFAA COCCCNC(=O)[C@@H](Cc1ccc(O)cc1)c1ccccc1 96165634 KXLWSSYHWGCIBP-SFHVURJKSA-N 313.397 2.871 0 50 DFAA CC[C@@]1(CO)CCCN(C(=O)NCCc2ccc(F)cc2)C1 91651076 KABJQRQTLFDXJL-QGZVFWFLSA-N 308.397 2.562 0 50 DFAA C1CCC(Cn2nc(C3CCOCC3)nc2[C@H]2CCNC2)CC1 97475040 ABBDFXDPVQAEHP-INIZCTEOSA-N 318.465 2.829 0 50 DFAA c1cnc(-c2nc(CNc3nnc(C4CCC4)o3)cs2)nc1 95379743 QDOGVNUIYONUEY-UHFFFAOYSA-N 314.374 2.863 0 50 DFAA C[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[C@]1(C)O 91441339 YMMSEVVVVGCODG-KDOFPFPSSA-N 306.425 2.887 0 50 DFAA Cc1cccc(S(=O)(=O)N2CC(C)(C)[C@H]2c2nccn2C)c1 295368950 SLLHDOZHFPUYPT-CQSZACIVSA-N 319.430 2.500 0 50 DFAA CCCc1cc(C(=O)NC[C@H]2CCOc3ccccc3C2)no1 95385117 VVIYIBJIGXYKJU-ZDUSSCGKSA-N 314.385 2.998 0 50 DFAA CC(C)n1nc(C2CCOCC2)nc1[C@H]1CC12CCNCC2 97413183 XWRBTORXOFKBHQ-CQSZACIVSA-N 304.438 2.610 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)C[C@@H](C)C(=O)O)cc1 299746860 BKSKQQFOPPLAIY-BMFZPTHFSA-N 319.401 2.642 0 50 DFAA c1ccc([C@H]2OCC[C@@H]2c2nnc(CCn3cccn3)o2)cc1 299747975 FQTJVNIGNSADTB-GOEBONIOSA-N 310.357 2.754 0 50 DFAA O=C(NCCc1nc2ccccc2[nH]1)C1Cc2ccccc2C1 277445327 QXWTWJXMZYWJFQ-UHFFFAOYSA-N 305.381 2.637 0 50 DFAA CCOc1ccc2nc(N3CCC(C(=O)O)CC3)nc(C)c2c1 299793002 HNJXGQQLOSJLDI-UHFFFAOYSA-N 315.373 2.638 0 50 DFAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12 299762228 SKCUQNMKTNTTFB-HOCLYGCPSA-N 317.385 2.512 0 50 DFAA Cn1c(C2CCN(CCn3cccn3)CC2)nc2ccccc21 299794594 LBKCZQXHJBXCPH-UHFFFAOYSA-N 309.417 2.649 0 50 DFAA CCCn1ncc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)c1C 823033451 VPLFRQURFWBWJP-OAHLLOKOSA-N 313.401 2.677 0 50 DFAA COc1cc2c(cc1CN[C@@H](C)CC(C)(C)OC)OCCO2 584900913 VWHLAEACWXWILE-LBPRGKRZSA-N 309.406 2.760 0 50 DFAA CCc1nnc(C[C@@H]2CC[C@H](NCc3oc(C)nc3C)C2)o1 952890970 PNSURISIAVLWOU-OLZOCXBDSA-N 304.394 2.738 0 50 DFAA Cc1cc(C)cc(CNC(=O)N2CC[C@]3(C2)OC[C@H]2C[C@@H]23)c1 1875303517 BVFQMKZJXUJKCU-SOLBZPMBSA-N 300.402 2.624 0 50 DFAA CSC1(C(=O)NC[C@@](C)(Cc2ccccc2)C(=O)O)CCC1 1875334139 ANBKQWZXJAIEDT-MRXNPFEDSA-N 321.442 2.722 0 50 DFAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1OC 952981396 WMXFYTVQQNITAE-GFCCVEGCSA-N 318.373 2.575 0 50 DFAA Cc1ccc(C)c(-c2n[nH]cc2CN[C@@H](C)c2nncn2C)c1 952980458 JWCLEYVKQOLYCR-ZDUSSCGKSA-N 310.405 2.673 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 241815982 SEQFIFNQUKLQMX-YJNKXOJESA-N 310.438 2.543 0 50 DFAA Cc1ccccc1-n1nc(C)c(CNC(=O)OCCF)c1C 1775988316 BLUXWAOSNRVYDU-UHFFFAOYSA-N 305.353 2.993 0 50 DFAA CS(=O)(=O)[C@@H]1CCC[C@@H](N=c2c(Cl)c[nH]cc2Cl)C1 1776006788 VQCUCSGDRZKWOS-RKDXNWHRSA-N 323.245 2.578 0 50 DFAA COc1ccc(CN[C@@H]2CCCOC2)cc1Br 109545002 IEBDOEMRVBHABE-LLVKDONJSA-N 300.196 2.726 0 50 DFAA O=C1CCN(C(=O)Cc2ccc(O)cc2)[C@@H](c2ccccc2)C1 633163506 DHQBIBGBQDYMDC-GOSISDBHSA-N 309.365 2.868 0 50 DFAA Cc1nn(C)cc1[C@@H](C)Nc1cc2c(cc1F)NC(=O)CC2 187873424 RKQFJBLLPWBBHH-SECBINFHSA-N 302.353 2.925 0 50 DFAA C[C@@H]1C(=O)NCCCN1Cc1csc(-c2ccccc2F)n1 189320292 APSCVUAPTUZBHL-LLVKDONJSA-N 319.405 2.660 0 50 DFAA Cc1nccc(CNC(=O)N2CCc3cc(Cl)ccc3C2)n1 191441608 WTUNRVBOLPFNBI-UHFFFAOYSA-N 316.792 2.706 0 50 DFAA COc1ccc2c(c1)CN(C(=O)Nc1cnc(CC3CC3)nc1)C2 654069988 CAXNBYDBPDJRPI-UHFFFAOYSA-N 324.384 2.985 0 50 DFAA CN(C)c1cccc([C@@H]2CCCN2C(=O)NCc2ccon2)c1 747509181 BFPJHKDRNSEEQB-INIZCTEOSA-N 314.389 2.787 0 50 DFAA Cc1cccc(C[C@@H](C)Nc2ncc(F)c(N3CCCC3)n2)n1 1506397689 GMUDQQLIVFHREE-CYBMUJFWSA-N 315.396 2.962 0 50 DFAA CSc1cccc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)c1 1529182610 WAURFMFNSGLUSG-CRAIPNDOSA-N 314.454 2.839 0 50 DFAA NS(=O)(=O)c1ccc(-c2cnc3cc(F)ccc3c2)s1 1875248718 JKJWUNCEJLVZDE-UHFFFAOYSA-N 308.359 2.750 0 50 DFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H]3C[C@H](O)C[C@H]3C2)c1 1800411467 KEMXCRKNMRNOLI-QLPKVWCKSA-N 311.429 2.896 0 50 DFAA CC(C)c1nn(C)c(Cl)c1C(=O)NCc1cnc(C2CC2)o1 1615621960 NIVANMVXFDHBTR-UHFFFAOYSA-N 322.796 2.992 0 50 DFAA COc1ccc(CN(Cc2[nH]cnc2C)C[C@@H]2CCCO2)cc1 12143724 UTCUFXXVNNZKOJ-KRWDZBQOSA-N 315.417 2.908 0 50 DFAA COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)noc2C)c1 13746746 ZZNLKDZIPAXMNL-VIFPVBQESA-N 304.346 2.800 0 50 DFAA CCc1nnc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)o1 1857527743 UBYFYYKRWIVPSP-HNNXBMFYSA-N 300.406 2.733 0 50 DFAA Fc1cccc2ccc(-c3nccn3C[C@H]3COCCO3)nc12 1857692647 NSEOIILWCUWGRB-ZDUSSCGKSA-N 313.332 2.653 0 50 DFAA CCc1nccc(-c2nccn2CCNc2ncccc2C)n1 1857718426 TWKVDRMKXOOKMM-UHFFFAOYSA-N 308.389 2.718 0 50 DFAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1ccc2cc[nH]c2c1 328616464 BSTZHJZFDWJIPY-CYBMUJFWSA-N 308.385 2.699 0 50 DFAA CC(C)COc1ccccc1NC(=O)N1CC[C@@H]2CNC[C@@H]21 578846875 WTXZLFCCNWFVKX-HIFRSBDPSA-N 303.406 2.547 0 50 DFAA COc1ccc(C(=O)NCc2cnc3n2CCCC3)cc1Cl 368644427 POFHMQNKFMUBGE-UHFFFAOYSA-N 319.792 2.811 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CC(C)(C)NC(C)(C)C1 161575760 UTJSUFBDCNFLDY-SNVBAGLBSA-N 306.454 2.555 0 50 DFAA O[C@@H](CN[C@@H]1CCCOc2cc(F)ccc21)c1ccc(F)cn1 819211126 STXWJRKTPCGFEP-ZBFHGGJFSA-N 320.339 2.897 0 50 DFAA COc1ccc(-c2cnc(CN3CCC[C@@]34CCNC4)o2)cc1 903863261 ATJHRFZFTMOMAI-SFHVURJKSA-N 313.401 2.678 0 50 DFAA Cc1cccc(C(=O)O)c1NC(=O)[C@H](C)OC[C@@H]1CCCCO1 905268294 HBULFDHZOMPMRM-STQMWFEESA-N 321.373 2.606 0 50 DFAA CC(C)(CCC(=O)O)NC(=O)[C@@H]1CCCc2c(O)cccc21 908947818 ZIFXMRPYHVTVGL-CYBMUJFWSA-N 305.374 2.572 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1cc(Cl)cc(Cl)c1F 830381581 SNFXJCAWFZRACM-LDWIPMOCSA-N 319.163 2.588 0 50 DFAA CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(CN)cc1 843512052 FZFYSRKGEJWUNA-UHFFFAOYSA-N 320.824 2.586 0 50 DFAA Cc1ccccc1-c1nnn(CC(=O)Nc2cccc(C)c2C)n1 89534 FWRLENYQOFSWKA-UHFFFAOYSA-N 321.384 2.904 0 50 DFAA NCC12CC(CN3CCC[C@H](C[C@@H](N)C4CCCC4)C3)(C1)C2 2325761497 DDZZFYBLSFCULY-BJMVHTGZSA-N 305.510 2.735 0 50 DFAA COCC[C@](C)(O)C(C)(C)CNC(=O)[C@@]1(C)CCC(F)(F)C1 2325766554 IVQFOKDOTKMVHW-GJZGRUSLSA-N 321.408 2.742 0 50 DFAA Cc1ccc([C@@H](CN(C)C)NC(=O)c2cc3ccncc3[nH]2)cc1 2325816617 ISNCDFJBDKVXIH-GOSISDBHSA-N 322.412 2.904 0 50 DFAA CC1=NN(C(=O)COc2ccccc2)[C@@](O)(c2ccccc2)C1 306099 CRRYMHCMTNQKEB-SFHVURJKSA-N 310.353 2.519 0 50 DFAA CCn1c(C)nnc1SCC(=O)Nc1cccc(Cl)c1 421175 VNEGTRMFBHUTNP-UHFFFAOYSA-N 310.810 2.991 0 50 DFAA COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cn1 452689 DEJYEZWZOQABSR-UHFFFAOYSA-N 321.789 2.870 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)c(C)c1 2891001 KNKGVPUWXAUTSF-HNNXBMFYSA-N 310.353 2.753 0 50 DFAA CCc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)cc1 2944646 ZNTOJNWLMYBPGH-UHFFFAOYSA-N 314.360 2.686 0 50 DFAA CCc1ccccc1NC(=O)C(=O)NCc1ccc(OC)cc1 2993506 KKXYKTKGMWWSSU-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA Cc1ccc2c(CC(=O)N3CCC(C(=O)O)CC3)coc2c1 6669428 KENSBLMFPJTGOT-UHFFFAOYSA-N 301.342 2.607 0 50 DFAA O=C(Nc1nnc(C(F)F)s1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 227363990 DOYQWMFYNPADJA-PRJMDXOYSA-N 318.349 2.555 0 50 DFAA C[C@@H](NC(=O)CC(C)(C)C(=O)O)c1ccc(-n2ccnc2)cc1 115605679 TXEDADUUDIKQAY-GFCCVEGCSA-N 315.373 2.550 0 50 DFAA C[C@H]1CN(Cc2nc(-c3cccc4[nH]ccc34)no2)C[C@@H](C)O1 20568696 NSIMXSKANNSITR-TXEJJXNPSA-N 312.373 2.827 0 50 DFAA Cc1cc(C)n(NC(=O)c2ccc([C@@H]3CCCO3)s2)c(=O)c1 67540202 MKRDFOITDMAMRK-LBPRGKRZSA-N 318.398 2.762 0 50 DFAA CN(CCc1ccccn1)C(=O)c1cncnc1-c1ccccc1 349837519 IMBRHTUYUJFCNB-UHFFFAOYSA-N 318.380 2.853 0 50 DFAA Cc1csc(CN(C)C(=O)c2ccc3sc(N)nc3c2)n1 20453073 CLEQIITWZYNBPT-UHFFFAOYSA-N 318.427 2.916 0 50 DFAA CCCn1nc(C)c(CNC(=O)c2cnc3ccccc3n2)c1C 218912100 NIESETKEKXTNPV-UHFFFAOYSA-N 323.400 2.783 0 50 DFAA CCc1nccn1C[C@@H](C)NCc1n[nH]c2c1CCCCC2 67433628 WREIPLOPFUQSKZ-CYBMUJFWSA-N 301.438 2.616 0 50 DFAA CCCOc1ccccc1[C@H]1CC(=O)NCc2nc(N)sc21 65431520 OLVGBKSYZXQULO-LLVKDONJSA-N 317.414 2.666 0 50 DFAA O=c1[nH]c2ccc(CNc3ncnc4c(F)cccc34)cc2[nH]1 252483568 FFHPCQFYFJRTMU-UHFFFAOYSA-N 309.304 2.551 0 50 DFAA CN1CCC[C@@H](CN(C)C(=O)c2cnc(-c3ccco3)s2)C1 172232079 SQTIBZAHWQBSRG-GFCCVEGCSA-N 319.430 2.817 0 50 DFAA CC(C)(O)C(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 67743127 HVAJQOMANHPHLW-UHFFFAOYSA-N 320.776 2.651 0 50 DFAA O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc2c(c1)OCO2 4029290 DUKKSZLDZDKYFL-LSDHHAIUSA-N 317.385 2.837 0 50 DFAA biogenic Cc1cc(NCCCc2nc3ccccc3n2C)n2nccc2n1 72435484 AFQANCNZNCJBRU-UHFFFAOYSA-N 320.400 2.969 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)Cc2c(C)n[nH]c2C)C12CCCC2 172724847 RPPZVWRPJUTYLA-JKSUJKDBSA-N 319.449 2.765 0 50 DFAA CC(C)c1nc(CN2CCC(Oc3ncccc3F)CC2)no1 369655675 OTDPDVOPJKEZQE-UHFFFAOYSA-N 320.368 2.771 0 50 DFAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1F 237353640 WAISPPPKMIYVDF-LLVKDONJSA-N 309.337 2.551 0 50 DFAA Cc1c(Cl)cccc1OCC(=O)N1CCC[C@H]([C@H](C)N)C1 237414383 LHHXXGUJCOARDF-STQMWFEESA-N 310.825 2.613 0 50 DFAA CC[C@@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)C[C@@H](CC)O1 333892688 XMVYNXPFYRMJJK-ZIAGYGMSSA-N 303.406 2.992 0 50 DFAA CCO[C@H]1COC[C@@H]1NC(=O)CCCc1ccc(Cl)cc1 77339715 SDVMGNNQUVANPA-GJZGRUSLSA-N 311.809 2.583 0 50 DFAA Cc1cccc2c1[C@H](C)C[C@H]2N[C@H]1CCN(c2cnn(C)c2)C1=O 241447082 NRALELWMRHYNTC-XOKHGSTOSA-N 324.428 2.672 0 50 DFAA CC(C)=CCC[C@H](C)N1CCC(Cn2cc(CCO)nn2)CC1 48212309 RDOAIOXWNZFWAW-INIZCTEOSA-N 320.481 2.660 0 50 DFAA O=C(c1cc2c(s1)CCC2)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 242339221 ZGBGTYGDPXRPQX-ZNMIVQPWSA-N 316.470 2.793 0 50 DFAA CN(Cc1cccc(Cl)c1)c1cc(C2CC(N)C2)nc(N)n1 222909979 NJJILAYJPBODDO-UHFFFAOYSA-N 317.824 2.553 0 50 DFAA CCc1nccn1[C@H]1CCCN(Cc2ccc(C(=O)O)cc2)C1 263574885 ODGKTMCRCRXRQO-INIZCTEOSA-N 313.401 2.981 0 50 DFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1Cl 220140028 DDIVFCYYLPFBRD-HUUCEWRRSA-N 324.808 2.605 0 50 DFAA Cc1ccc(N2CCC[C@H](c3nccn3CCN(C)C)C2)nc1 95527605 CHOCFTBRKQAPRJ-INIZCTEOSA-N 313.449 2.532 0 50 DFAA COc1ccc2c(=O)n(Cc3cscn3)ccc2c1OC 95371334 PLRKNOCAHYEBRV-UHFFFAOYSA-N 302.355 2.524 0 50 DFAA Cc1cc(C)c2c(N[C@H](C)Cn3nc(C)cc3C)ncnc2n1 95521764 DZDBDMPFZHVUKD-CYBMUJFWSA-N 310.405 2.956 0 50 DFAA Cc1cc(NC[C@H](O)c2ccccn2)nc(-c2ccccc2O)n1 91877098 GCFPDJUXFGXUBJ-INIZCTEOSA-N 322.368 2.698 0 50 DFAA Cc1ccc([C@@H](CCO)NC(=O)c2cc(C(C)C)nn2C)cc1 91746804 HBUMUYBFFBXYQJ-OAHLLOKOSA-N 315.417 2.705 0 50 DFAA CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 247953898 NCZOOMYFOSQXHC-KKUMJFAQSA-N 320.820 2.571 0 50 DFAA CO[C@@H](C)c1noc(CNc2ccccc2-n2nccc2C)n1 181899913 YPAIFKQOJQTINE-LBPRGKRZSA-N 313.361 2.883 0 50 DFAA Cc1noc(C2CC2)c1NC(=O)[C@@H]1CN(C)C[C@H]1C(F)(F)F 299744602 PIUMQRZAVRGKKT-NXEZZACHSA-N 317.311 2.539 0 50 DFAA CCc1noc(-c2cccc(NC(=O)NC3CCOCC3)c2)n1 299761375 KPBGCMDVLWUZIR-UHFFFAOYSA-N 316.361 2.600 0 50 DFAA O=C(Nc1cnns1)N1CCC([C@H](O)c2cccs2)CC1 299792656 FZYIAGVAQCPTML-LBPRGKRZSA-N 324.431 2.577 0 50 DFAA CCOC(=O)N1CCC(N2CCO[C@@H](c3ccccc3)C2)CC1 670437055 AMWAZPYYGHFPPG-QGZVFWFLSA-N 318.417 2.681 0 50 DFAA CS(=O)(=O)Cc1ncc(Cc2ccccc2Cl)s1 864096785 HGBPOWKEBAKYGY-UHFFFAOYSA-N 301.820 2.932 0 50 DFAA Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc2nn[nH]c12 1875292382 GQDAYCNLRPAMKS-CQSZACIVSA-N 306.369 2.896 0 50 DFAA CCc1noc([C@H]2CC[C@H](NC(=O)C3C4CCC3CC4)C2)n1 1875309136 SNSMYBJSXRQXPF-XJKSFGJRSA-N 303.406 2.821 0 50 DFAA O=C(c1cc(-c2ccccc2)[nH]n1)N1CCOc2cccnc2C1 1875358075 IKXHREQGYUOFAJ-UHFFFAOYSA-N 320.352 2.507 0 50 DFAA COc1ccc2c(=N)[nH]n(C(=O)Cc3cccc(Cl)c3)c2c1 1875340774 QWPJLIXADXDYBX-UHFFFAOYSA-N 315.760 2.994 0 50 DFAA Cc1ccccc1NC(=O)CCNCc1c(C)nn(C)c1Cl 952984717 ZAAFZPQNLHKAND-UHFFFAOYSA-N 320.824 2.809 0 50 DFAA COCc1nccc(NCc2nc3cc(Cl)ccc3n2C)n1 893267618 UTKZGIRGEWBJHB-UHFFFAOYSA-N 317.780 2.775 0 50 DFAA Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H](C)N1CCCCCC1 271284277 OPNUEWPSJOLBPJ-SNVBAGLBSA-N 300.353 2.859 0 50 DFAA CCOc1ccccc1CNCC[C@@H]1COCCC1(OC)OC 1474271434 PHOAJJHRJOACQF-MRXNPFEDSA-N 323.433 2.591 0 50 DFAA c1ccc(-n2ccc(Cc3noc(C4CCOCC4)n3)n2)cc1 585120521 SUIIQCMZUDMTBF-UHFFFAOYSA-N 310.357 2.740 0 50 DFAA CSc1cc(NC(=O)N(Cc2ccncc2)C2CC2)ncn1 585119371 FHTKMDHDCHPFBN-UHFFFAOYSA-N 315.402 2.790 0 50 DFAA C[C@@]1(C(N)=O)CCCCN1Cc1csc(-c2ccoc2)n1 185959161 RAGYXYMJDOKXLY-HNNXBMFYSA-N 305.403 2.633 0 50 DFAA Cc1ccc(C(=O)C2CCN(C(=O)C[C@@H](N)C3CC3)CC2)cc1 170075213 PYYHAGLISJGEJZ-QGZVFWFLSA-N 314.429 2.544 0 50 DFAA COc1ccc(OC)c([C@@H]2C[C@H]2c2nc(-c3cnccn3)no2)c1 170606362 BLBKYYDTLYCBAV-WCQYABFASA-N 324.340 2.815 0 50 DFAA Cn1nccc1C(=O)Nc1cc2c(cc1Br)CCC2 195211546 LWOJWMQPPNUUAZ-UHFFFAOYSA-N 320.190 2.924 0 50 DFAA CC(C)n1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)n1 653330574 HFXDLGSAEVGHKA-UKRRQHHQSA-N 313.357 2.507 0 50 DFAA CN(C)[C@@H](C(=O)N[C@H]1CC[C@@H](CO)CC1)c1ccc(Cl)cc1 654916368 WCRKSMRSKUZCRL-UHOFOFEASA-N 324.852 2.610 0 50 DFAA CCN1CCC[C@H]1CN1CCC(OCc2cccnc2)CC1 1506423635 GXIIZPCKEPLNQW-KRWDZBQOSA-N 303.450 2.547 0 50 DFAA CO[C@H]1CN(Cc2cccc(C)c2)C[C@H]1Cc1cc(C)no1 1529191974 LKAXCNIHHLJIDR-AEFFLSMTSA-N 300.402 2.981 0 50 DFAA CC[C@@H](Nc1nc(N)c2cnn(C)c2n1)c1nc(C)c(C)s1 1529195880 PCFRORAHQAZJBD-SNVBAGLBSA-N 317.422 2.582 0 50 DFAA C=C=CCNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 1615589692 GGMLYFKSBYWMJQ-UHFFFAOYSA-N 304.300 2.615 0 50 DFAA Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H](CO)C[C@@H]32)cnc2ccccc12 1615554035 VYKMJKRJFDEQCI-BWQRHGBYSA-N 310.397 2.680 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N[C@@H](C)CO 1615585431 FQBKKIYXIREJTM-RRFJBIMHSA-N 314.470 2.629 0 50 DFAA O=C(NCc1ccc2ccccc2c1)c1ccc2nc(O)[nH]c2n1 1634763593 VIYKGHFSDPHEDO-UHFFFAOYSA-N 318.336 2.747 0 50 DFAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(C(F)(F)F)cc1 1772702673 ICSUGIFVWZPRSQ-SMDDNHRTSA-N 312.335 2.901 0 50 DFAA COc1cccc(OCc2nc(C(=O)NC3CCC3)co2)c1 12439827 XIWNJHFGBCCCIK-UHFFFAOYSA-N 302.330 2.545 0 50 DFAA O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1CCCNC1 151405085 ILOJBHJAXAZYEM-CYBMUJFWSA-N 301.415 2.672 0 50 DFAA CCCO[C@@H]1C[C@@H](C(=O)NCCCc2ccccc2)CC[C@H]1N 1857729333 DLPKAOMGBKJYKD-RCCFBDPRSA-N 318.461 2.658 0 50 DFAA O=C(c1conc1C(F)(F)F)N1CCOC2(CCCCC2)C1 408517113 ITSYYDLAGVAVRW-UHFFFAOYSA-N 318.295 2.869 0 50 DFAA Cc1cc(CNC(=O)[C@H](C)Cc2cccc(F)c2)oc1C(=O)O 630328209 AAOVCEIQPDDKAC-LLVKDONJSA-N 319.332 2.920 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ncc(Cl)cc1Cl 343273729 DIYUIZPWLORTJD-CYZMBNFOSA-N 317.216 2.755 0 50 DFAA c1cc2[nH]c(CNc3cnc(C4CCOCC4)nc3)cc2cn1 2325772286 QJLJOPJXQOCIRD-UHFFFAOYSA-N 309.373 2.859 0 50 DFAA Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C)c(O)n1 1281497 SYYWEOOSFGVTJW-UHFFFAOYSA-N 324.793 2.578 0 50 DFAA CN(Cc1ccn2ncnc2c1)C[C@@H]1CCN(c2ccccc2)C1 2356163750 PQZZJYNFELFXKJ-KRWDZBQOSA-N 321.428 2.688 0 50 DFAA COc1ccccc1NC(=O)CCNC(=O)c1ccc(C)cc1 4832000 CIZYAQSULOSBBR-UHFFFAOYSA-N 312.369 2.762 0 50 DFAA Cc1csc2ncnc(N3C[C@H](C)OC4(CCOCC4)C3)c12 413264225 JQNXQCIDKDXCLD-LBPRGKRZSA-N 319.430 2.774 0 50 DFAA Cc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 100159306 IEHAZZSMZGWLDQ-LWWSYDQCSA-N 316.788 2.825 0 50 DFAA CCCNS(=O)(=O)c1cc(C)c(Br)cc1C 2869260 SUMKQLXWANOHOM-UHFFFAOYSA-N 306.225 2.754 0 50 DFAA O=C(Nc1ccc2nccnc2c1)c1cc2ccccc2c(=O)o1 9135209 ADGZDJVDPAOKBA-UHFFFAOYSA-N 317.304 2.989 0 50 DFAA Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@@H]1C(=O)O 136505072 YOJZJJHHJMYKJT-LLVKDONJSA-N 310.419 2.729 0 50 DFAA COCC(C)(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 120308727 JURRNMCTTVVKIF-UHFFFAOYSA-N 318.461 2.748 0 50 DFAA Cc1cc(C(=O)N[C@@H](CC(C)C)c2ncnn2C)ccc1F 67934557 DHADCBMRMPTEDG-AWEZNQCLSA-N 304.369 2.780 0 50 DFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2CCNC3(CCCCC3)C2)[C@@H]1C 316544993 OTYUMSCUCJLADP-YIDVYQOGSA-N 308.466 2.617 0 50 DFAA Brc1cc(Br)cc(N2CCNCC2)c1 65337337 LBCMQRUBXURELD-UHFFFAOYSA-N 320.028 2.621 0 50 DFAA CCC(=O)c1ccccc1OCCCCN1CCN(C)CC1 20653385 TYMSJSDMNGRMFG-UHFFFAOYSA-N 304.434 2.686 0 50 DFAA CC[C@@H](c1cccnc1)N(C)CC(=O)NCc1ccccc1F 65395792 JFVUVPQTDBCKFY-KRWDZBQOSA-N 315.392 2.920 0 50 DFAA O=C(Nc1cccc2ncccc12)[C@@H]1CC(c2ccncc2)=NO1 252480149 BWUTZJZERLTQPP-KRWDZBQOSA-N 318.336 2.762 0 50 DFAA Cc1cccc(C(=O)NCC[C@H]2CN(C(C)C)CCO2)c1Cl 67769658 KBGSXNLIGAHDSY-AWEZNQCLSA-N 324.852 2.878 0 50 DFAA CN(C)C(=O)CCN[C@H]1CCCOc2cc3c(cc21)CCCC3 126631108 HHTNMKHLQGBBGS-KRWDZBQOSA-N 316.445 2.847 0 50 DFAA COc1ncc(Cl)c(N2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 281718202 PBPABNFEMWUGCR-YPMHNXCESA-N 323.755 2.590 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 183164 CMYAMLUHIBHRLI-UHFFFAOYSA-N 323.370 2.513 0 50 DFAA Cc1cc([C@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2)on1 215590789 FAUUUNHTGCQEPZ-CQSZACIVSA-N 310.361 2.500 0 50 DFAA Nc1cc(N[C@@H]2CCCN(CCCc3ccccc3)C2)ncn1 72473341 SDLZOFXJCMMPIX-MRXNPFEDSA-N 311.433 2.568 0 50 DFAA Cc1ncoc1C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 329997415 QNWUMWGQOLJFIV-CYBMUJFWSA-N 314.341 2.732 0 50 DFAA COc1ccccc1CCC(=O)N1CCCC[C@H]1CCC(=O)O 218890889 VLBFROBNARATGP-HNNXBMFYSA-N 319.401 2.874 0 50 DFAA CC(C)c1ocnc1C(=O)N(C)Cc1ccc2nonc2c1 216316968 XKPMBNGPCGEOLP-UHFFFAOYSA-N 300.318 2.606 0 50 DFAA Cc1ccccc1-c1cccc(CN2CCC[C@@](O)(CO)C2)c1 216386689 DYPJPGMBKJRBRT-FQEVSTJZSA-N 311.425 2.981 0 50 DFAA C[C@@H]1CCCCN1C(=O)CN1CCO[C@@H](c2cccc(F)c2)C1 245405536 UBOHDJIZTQDQDW-RHSMWYFYSA-N 320.408 2.600 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)NCc1ccccc1)CC2 245443086 IMIPUUOUUXXLRE-IRXDYDNUSA-N 301.434 2.843 0 50 DFAA CS[C@@H](C)CCN1CCN(CCOc2ccccc2)CC1 72448080 IJAPBPVORNYPBG-INIZCTEOSA-N 308.491 2.825 0 50 DFAA COc1cc2c(cc1C(=O)N1CC(c3ccncc3)C1)CCC2 72166082 JSHCDZVGSBCBLE-UHFFFAOYSA-N 308.381 2.819 0 50 DFAA Cc1cc(N)n(CC(=O)N2CCC[C@H](c3ccccc3)CC2)n1 215613516 LMGXKNHLKWKXBP-INIZCTEOSA-N 312.417 2.570 0 50 DFAA O=c1[nH]nc([C@H]2CCCN([C@@H]3CCc4c(Cl)cccc43)C2)o1 284444760 ZQSSKKWEHACWAO-IINYFYTJSA-N 319.792 2.883 0 50 DFAA c1cc2c(c(-n3ccnc3-c3cc4n(n3)CCCNC4)c1)CCC2 72473350 JMEYSXBOIAPYRY-UHFFFAOYSA-N 319.412 2.718 0 50 DFAA Cc1ccc(NC(=O)N2[C@H](C(N)=O)C[C@H]3CCCC[C@H]32)cc1 242106282 WIJURQZRSMTLGV-YUELXQCFSA-N 301.390 2.645 0 50 DFAA Cc1c(F)cccc1[C@H]1c2nc[nH]c2CCN1Cc1ncc[nH]1 72431534 YYOUSKDDDBQDEC-KRWDZBQOSA-N 311.364 2.728 0 50 DFAA CCCOc1ccccc1NC(=O)N1CCC(C(=O)O)CC1 263451522 ARXKVVSEQGXAJO-UHFFFAOYSA-N 306.362 2.804 0 50 DFAA CN(C)c1cccc(C(=O)N2CCC[C@H](c3nccn3C)C2)c1 82138566 QWGSAAQFWOXQLO-HNNXBMFYSA-N 312.417 2.506 0 50 DFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(OC2CCC2)c(F)c1 289755142 MNWWFCCBBGBROQ-NSHDSACASA-N 320.364 2.754 0 50 DFAA Cc1cc(=O)cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)[nH]1 426635498 PTXLVILRXZYHDE-UHFFFAOYSA-N 320.392 2.884 0 50 DFAA CCN(CC)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 198224103 AOIYONSQMZQNPT-UHFFFAOYSA-N 300.406 2.769 0 50 DFAA CC(C)=CC[C@@]1(CO)CCCN(c2ccnc(C(=O)O)c2)C1 92020959 OBOANPIOWBABFS-KRWDZBQOSA-N 304.390 2.715 0 50 DFAA CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCC[C@H]1CO 95519648 UDDLGBVQTUSHKG-AWEZNQCLSA-N 320.389 2.667 0 50 DFAA O=C(Cn1ccccc1=O)N(C/C=C/c1ccccc1)C1CC1 97288843 GHBISSAJZVZNKH-RMKNXTFCSA-N 308.381 2.553 0 50 DFAA C[C@H](NC(=O)C1(O)CCCCC1)[C@H]1OCCc2sccc21 294738597 UVZGRURQWDWXIW-SMDDNHRTSA-N 309.431 2.562 0 50 DFAA Cc1csc(NC(=O)[C@@H](C)N2CCCC3(CCOCC3)C2)n1 244691958 JLWDVYRXIXLMAO-CYBMUJFWSA-N 323.462 2.671 0 50 DFAA CCc1ccccc1N1CCN(Cc2cc(OC)ccn2)CC1 252489429 JQYSBLYIPWRWKW-UHFFFAOYSA-N 311.429 2.975 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)O1 299751289 QETJVYWBIPFAFR-RYPNDVFKSA-N 309.406 2.578 0 50 DFAA Nc1c2c(nc3c1cnn3-c1cc(F)cc(F)c1)CCCC2=O 618256334 HUSYYTVAGURMBL-UHFFFAOYSA-N 314.295 2.800 0 50 DFAA Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnc(O)c1 1940195149 GCWBMSBCVAMJRQ-UHFFFAOYSA-N 309.325 2.932 0 50 DFAA C[C@H](NC1CSCCSC1)c1nc(-c2cccnc2)no1 584894429 IVZGZWZQKVOXTL-JTQLQIEISA-N 322.459 2.631 0 50 DFAA COc1ccc(OC[C@H]2CCCN(Cc3nonc3C)C2)cc1 670452954 OGRZVULJVQQIDD-AWEZNQCLSA-N 317.389 2.678 0 50 DFAA COc1cc(Cc2ncnn2C(C)(C)C)cc(OC)c1OC 670445502 ROZFDVWXONFKHV-UHFFFAOYSA-N 305.378 2.650 0 50 DFAA OC[C@@H]1CCN(c2ncc(Cl)c(Nc3ccc(F)cc3)n2)C1 952991935 FHUUPBQAHDUHQO-SNVBAGLBSA-N 322.771 2.831 0 50 DFAA Cc1ocnc1C(=O)N1CC[C@H](CC(=O)O)c2ccccc21 1875292031 UKHUYVJOZBKFFI-LLVKDONJSA-N 300.314 2.592 0 50 DFAA C=CC(=O)N(Cc1cccc(OCC)c1)Cc1cc(C)nn1C 1875374200 FDWFCCQVZBTVKL-UHFFFAOYSA-N 313.401 2.842 0 50 DFAA COC(=O)C(C)(C)c1cccc(OC[C@H]2C[N@]2CC2CC2)c1 1875384617 HGBIEERQRDPSTI-BEFAXECRSA-N 303.402 2.610 0 50 DFAA N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Nc1ncnc2[nH]c3cc(F)ccc3c12 1875303764 LZQUNNCFVPHCGA-ZFWZSOMGSA-N 311.364 2.788 0 50 DFAA COC(=O)c1ccc(C(=O)N2C[C@@H](C)Oc3c(F)cccc32)o1 185652027 IECNBJGKRGRIRP-SECBINFHSA-N 319.288 2.633 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2CCC)cc1 1339218141 NZLSHMQYYNGXPY-INIZCTEOSA-N 300.402 2.894 0 50 DFAA CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1cccnc1 408521762 CJBNPRNTQCAAJL-UHFFFAOYSA-N 307.394 2.505 0 50 DFAA N#Cc1ccc(NCC(=O)NNc2ccc(F)c(F)c2F)cc1 170621146 RIXCUGMYSXBRRK-UHFFFAOYSA-N 320.274 2.531 0 50 DFAA CCC[C@H](NC(=O)Cn1cnc(C)c(C)c1=O)c1ccccc1 188211271 BDBRASWMJZKMRZ-INIZCTEOSA-N 313.401 2.518 0 50 DFAA C[C@@H](O)C1CCN(C(=O)Nc2cccc3ccn(C)c23)CC1 190065974 YAHBLJYVUYCVHU-GFCCVEGCSA-N 301.390 2.803 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1 190484056 TZNRXVUTOBAFDU-NSHDSACASA-N 323.339 2.710 0 50 DFAA CCOCCNC(=O)Nc1cc(F)cc(F)c1Br 190685931 JRCFVLXLPIGRNJ-UHFFFAOYSA-N 323.137 2.885 0 50 DFAA C[C@H](NC[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccncc1Cl 643349206 RWUYTBWZWUCWGK-MQIPJXDCSA-N 320.824 2.897 0 50 DFAA CO[C@@H]1CC[C@@H](NC(=O)Nc2cnc(-c3ccccc3)nc2)C1 191019604 ZQCWMPPZQSWIPV-UKRRQHHQSA-N 312.373 2.833 0 50 DFAA CC(C)Oc1ncccc1OCc1nnc([C@@H]2CCCOC2)o1 643648839 XBPGGKYFQHWYTL-GFCCVEGCSA-N 319.361 2.725 0 50 DFAA CCC(CC)CN(CC)C(=O)c1cc(C)n(NC(N)=O)c1C 585135711 XREVTYBCEKFUMH-UHFFFAOYSA-N 308.426 2.625 0 50 DFAA CC[C@@]1(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CCOC1 682974036 GBMWESRQLHBWHT-MRXNPFEDSA-N 303.337 2.515 0 50 DFAA O=C(NCc1nc2ccccc2[nH]1)c1ccoc1Br 193327039 CUBDSTVUQDIACC-UHFFFAOYSA-N 320.146 2.848 0 50 DFAA CO[C@@](C)(C(=O)O)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 663054130 KAJMDHMBBOHIQM-KBXCAEBGSA-N 319.401 2.696 0 50 DFAA COc1nc(NC[C@@H](c2sccc2C)N(C)C)ncc1F 1772705843 ARWGTJFERITUBP-NSHDSACASA-N 310.398 2.709 0 50 DFAA Cc1ccc(Cl)c(CN2C[C@@H]3COCC[C@]3(CO)C2)c1F 1772709900 JQTVHOGZLSESBU-MLGOLLRUSA-N 313.800 2.618 0 50 DFAA COCCNC(=O)c1cccc(NC(=O)Nc2ccccc2)c1 12138639 CUEGCEWUHCFIGP-UHFFFAOYSA-N 313.357 2.707 0 50 DFAA CCN1C[C@@H]2[C@H](CNC(=O)CCC3CCCC3)[C@H]3CC[C@]2(C1)O3 1857740257 KQYPQDAEERUDKT-DODZYUBVSA-N 320.477 2.572 0 50 DFAA c1cn([C@H]2CCOC3(CCOCC3)C2)c(-c2cnsc2)n1 1857740686 UQPBNOOHVYPIQO-ZDUSSCGKSA-N 305.403 2.907 0 50 DFAA CC1(C)[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC[C@]1(C)C(=O)O 4174811 VYQKLFAQJYCAQY-YVEFUNNKSA-N 319.357 2.850 0 50 DFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)C1 237298830 TWXKDOLFLTVVIR-CHWSQXEVSA-N 310.825 2.565 0 50 DFAA C[C@H]1CCC[C@H](CC(=O)N(CCC(=O)O)C2CCOCC2)C1 237534587 LBJZNZKEHWTCTP-KBPBESRZSA-N 311.422 2.685 0 50 DFAA Cc1c(C(=O)N2CC[C@](C)(C(=O)O)C2)oc2c(C)cccc12 237752590 JTXHKRJFURURIR-KRWDZBQOSA-N 301.342 2.986 0 50 DFAA CCCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc1 337162970 VRTPJNKKWJXMFU-RCCFBDPRSA-N 317.429 2.641 0 50 DFAA CCN(C(=O)Cc1nnc(C)o1)c1ccc(C(F)(F)F)cc1 241588285 PBRBWWOXGHGEIJ-UHFFFAOYSA-N 313.279 2.992 0 50 DFAA COc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@H]2OC)o1 373294597 SCNUCHWFYJAAKZ-UKRRQHHQSA-N 317.389 2.792 0 50 DFAA O=C(NCc1cc2ccccc2s1)NC[C@H]1CCC[C@H]1O 266693475 FJVWDSMCIGKKBF-TZMCWYRMSA-N 304.415 2.862 0 50 DFAA Cc1cnc2c(cnn2Cc2nc([C@@H](C)c3ccco3)no2)c1 904110557 CRQXNPLPDMSBSS-NSHDSACASA-N 309.329 2.916 0 50 DFAA Clc1ccc(CN[C@@H]2CCCN(c3ncccn3)C2)s1 55269489 RQMLXSKFBYLKTL-LLVKDONJSA-N 308.838 2.950 0 50 DFAA Cc1nnc(SCc2ccc(Br)cc2)nc1O 18175997 KGMZJASQAIEBCM-UHFFFAOYSA-N 312.192 2.940 0 50 DFAA C[C@@H](CCC(=O)O)N(C)C(=O)c1ccc2cccc(O)c2c1 2325796127 VIUUFRYVSIHAPI-NSHDSACASA-N 301.342 2.871 0 50 DFAA C[C@H]1C[C@@H]1n1nnnc1N1C[C@H](C)C[C@@H]1c1cccc(F)c1 2325860408 HPMWGAFKQTUAFA-FDRIWYBQSA-N 301.369 2.981 0 50 DFAA COC(=O)c1c(N)sc(C(=O)Nc2ccccc2OC)c1C 109471 TWSYQAUFLXYSQV-UHFFFAOYSA-N 320.370 2.686 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)O 196902 BLEJYTFRHUDECL-WDEREUQCSA-N 309.749 2.867 0 50 DFAA O=C(CSc1nsc(SCC(=O)C2CC2)n1)C1CC1 267062 JSPMPPPEPSRGGA-UHFFFAOYSA-N 314.457 2.681 0 50 DFAA CCC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2ccncc2)C1 302294 DMZOPEFEOGPYQV-IBGZPJMESA-N 323.396 2.858 0 50 DFAA CN(C)CCOC(=O)[C@@H]1CC2=C(CCCC2(C)C)C[C@H]1C(=O)O 321837 SQDFUMNRZHDLGQ-ZIAGYGMSSA-N 323.433 2.709 0 50 DFAA biogenic Cc1cccc(OC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 432153 DZYDYAMBGAEWOF-UHFFFAOYSA-N 309.321 2.868 0 50 DFAA c1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1 524894 QDZRNYPMLTZANT-UHFFFAOYSA-N 309.354 2.827 0 50 DFAA O=C(O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 582924 UYPGASJOMVHERA-AWEZNQCLSA-N 303.339 2.752 0 50 DFAA O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 1422634 LLMGZBNYYLIRLS-KRWDZBQOSA-N 324.380 2.734 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)cc1 4756638 YBSDWKVTCAMMAH-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA CCc1cc(Br)ccc1NC(=O)CCC(=O)O 6741414 SCQNHFYXZHGROQ-UHFFFAOYSA-N 300.152 2.815 0 50 DFAA CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(N)cc2)C1 100166748 ZFKKFYFTGRHWSA-XJKSGUPXSA-N 308.447 2.858 0 50 DFAA COc1ccc(CNc2nnc(Cl)cc2OC)cc1OC 225429908 GLWHKPARSLJNII-UHFFFAOYSA-N 309.753 2.768 0 50 DFAA O=C(NCc1ncnn1-c1ccccc1)c1ccc2[nH]ccc2c1 343975501 CXKXDAQAOMFGCH-UHFFFAOYSA-N 317.352 2.679 0 50 DFAA Cc1[nH]c(/C=C/C=C/c2ccc(F)cc2)nc(=O)c1CC(=O)O 349107067 JNAGJLDTGTYLKW-ZUVMSYQZSA-N 314.316 2.571 0 50 DFAA O=C(NC[C@H]1COCCO1)c1ccccc1Oc1ccccc1 54619343 RFHXXINBYIIVPO-HNNXBMFYSA-N 313.353 2.624 0 50 DFAA Cc1ccc2nc3c(n2c1)[C@@H](c1coc(C(C)C)n1)CC(=O)NC3 65526911 UXKUDRDCJRXSIJ-GFCCVEGCSA-N 324.384 2.906 0 50 DFAA COCCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 20102813 VQEFFOXVLKBCDA-UHFFFAOYSA-N 324.852 2.705 0 50 DFAA C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccnc2)C1 421987194 JIZNEBQAZLDGPQ-JSGCOSHPSA-N 304.390 2.522 0 50 DFAA C[C@H]1c2cccn2CCN1C(=O)CCc1n[nH]c2c1CCCC2 67740868 NKNNIOZCRHWALM-ZDUSSCGKSA-N 312.417 2.626 0 50 DFAA CCOC(=O)C(C)(CCCOc1ccccc1)C(=O)OCC 71767456 LNQIDAWSAMQXNB-UHFFFAOYSA-N 308.374 2.978 0 50 DFAA CSCCn1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 65461251 CRMBYFULWBGZPI-UHFFFAOYSA-N 305.355 2.702 0 50 DFAA Cc1cc(CN2CCN(CC(C)C)[C@H](CCO)C2)cc(C)c1O 39478524 ZXPUONGYKKDBMK-GOSISDBHSA-N 320.477 2.534 0 50 DFAA CCc1ccc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)o1 219395611 AULDTUGXIGDRNX-GOSISDBHSA-N 315.417 2.888 0 50 DFAA O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccc2ccc(F)cc2n1 359308833 ZWLFXVKBWVVLOW-HYVNUMGLSA-N 316.376 2.740 0 50 DFAA Cc1noc([C@@H](NCc2cc(C)oc2C)C2CCOCC2)n1 328625533 KVRTUTJWTIMZHX-HNNXBMFYSA-N 305.378 2.845 0 50 DFAA CC(C)=CCC[C@H](C)N[C@H]1CCCN(c2nccnc2O)C1 328627615 GIPBZZQVVMUNKT-GJZGRUSLSA-N 304.438 2.876 0 50 DFAA Cc1[nH]c2c(F)cccc2c1CC(=O)NCCc1ccccn1 215507645 GMVBYNAOKGUBNA-UHFFFAOYSA-N 311.360 2.912 0 50 DFAA Cc1nnnn1CCCN1CCCC[C@H]1CCc1ccccc1 72170315 WSUMRZMPYXIXPS-SFHVURJKSA-N 313.449 2.859 0 50 DFAA CCCOc1ccccc1NC(=O)N1CC[S@](=O)CC[C@H]1C 240902757 IVENALRXPRJWPL-MCMMXHMISA-N 324.446 2.850 0 50 DFAA CCN(C(=O)NCCc1c[nH]c2ccccc12)[C@@H](C)CN(C)C 241435198 NLQBYWLFOGFLEM-AWEZNQCLSA-N 316.449 2.692 0 50 DFAA O=C(NC1CCNCC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 262524004 ZHDQCSIURKQEGZ-ZWOKBUDYSA-N 312.457 2.904 0 50 DFAA COc1ccc2sc(C(=O)N3CCC[C@@H]3CN)c(C)c2c1 237325292 LJCKUSAOFHUORA-LLVKDONJSA-N 304.415 2.782 0 50 DFAA CCCc1ccc(CN2CCC(N3CCC(O)CC3)CC2)o1 72470122 NKSCIKIWNPLCTJ-UHFFFAOYSA-N 306.450 2.653 0 50 DFAA Cc1cc2cc(CNC(=O)[C@@H]3CCc4cn[nH]c4C3)ccc2[nH]1 286391302 DIOODVKRRPYNPE-CYBMUJFWSA-N 308.385 2.621 0 50 DFAA Cc1cc(CNC(=O)[C@H]2CCC(C)(C)O2)cc(N2CCCC2)n1 290339032 KDFTXSFJLADVAQ-OAHLLOKOSA-N 317.433 2.564 0 50 DFAA CCc1nc([C@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)cs1 263322642 JLEPRNPVJBQMDL-JTQLQIEISA-N 318.398 2.824 0 50 DFAA CCc1ccnc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 263438582 PEXAXALLUBWXKR-QEJZJMRPSA-N 302.374 2.502 0 50 DFAA CC1(c2cccc(Cl)c2)CCN(CCN2CCNC2=O)CC1 289541300 WQUMDTRPFIMFIZ-UHFFFAOYSA-N 321.852 2.719 0 50 DFAA CCCc1cc(CNC(=O)N2CCc3sccc3C2)on1 426485693 ONLBZUYFTAREBI-UHFFFAOYSA-N 305.403 2.957 0 50 DFAA Cc1ccc(CN(Cc2ccco2)C(=O)c2ncn(C)n2)s1 291304175 NWQTYDAXWVRHDC-UHFFFAOYSA-N 316.386 2.621 0 50 DFAA O=S(=O)(NC1CCCCC1)c1ccc(-c2cncnc2)cc1 96137116 YPLJQRCZKXAXQU-UHFFFAOYSA-N 317.414 2.755 0 50 DFAA CN(C)Cc1ccc(C(=O)N2CCC[C@]3(CCCO3)CC2)o1 97773086 GPVFJNLTHUBBQH-KRWDZBQOSA-N 306.406 2.517 0 50 DFAA COc1cccc(CN2CC[C@@](O)(C3CC3)[C@H](C)C2)c1OC 91587149 AXUIOAJHIOYTQR-ACJLOTCBSA-N 305.418 2.687 0 50 DFAA CN(C)Cc1csc(CN2CCN(Cc3ccco3)CC2)c1 244691863 JKILBHPNMFJWBY-UHFFFAOYSA-N 319.474 2.721 0 50 DFAA CCSCC(=O)N(C)Cc1cnn(-c2cccc(C)c2)c1 241081911 YSJIWYJEUTVGBZ-UHFFFAOYSA-N 303.431 2.892 0 50 DFAA Cn1cnc2cc(C(=O)N3CC(C)(c4ccccc4)C3)ccc21 622208419 SUMHTWNBAWVBLU-UHFFFAOYSA-N 305.381 2.987 0 50 DFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2sccc2C)cn1 299746300 WNEJLVSXGNIHBN-GXTWGEPZSA-N 318.398 2.720 0 50 DFAA Cc1ccc(C)c(NC(=O)N2CCOC3(CCN(C)CC3)C2)c1 646158921 FAETYGGJZGRLSM-UHFFFAOYSA-N 317.433 2.632 0 50 DFAA CCc1nc(CN(C)[C@@H](C)CN2CCc3ccccc3C2)no1 670463597 GPYDULIBUQXIEG-AWEZNQCLSA-N 314.433 2.511 0 50 DFAA C=CC(=O)N(C)CC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 861664382 AXFWWBAKZZNSPN-LJQANCHMSA-N 314.429 2.601 0 50 DFAA C[C@H]1OC2(CCN(C)CC2)C[C@H]1NCCCNc1ccccc1 685940766 UGJBAEAXWIDIIO-SJLPKXTDSA-N 317.477 2.720 0 50 DFAA CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)c1ccns1 952964463 RSRUMPOPNIGTIY-UHFFFAOYSA-N 313.423 2.566 0 50 DFAA O=S(=O)(N[C@H]1CCCC2(C1)N=N2)C1=Cc2ccccc2CC1 1875279614 UJXDRPBXVNYMLG-AWEZNQCLSA-N 317.414 2.998 0 50 DFAA CC1(C)[C@@H](NC(=O)[C@@]2(N)C[C@H]2C(F)(F)F)[C@@H]1c1ccccc1 1875404765 UIHBTWRLABBPST-OXJKWZBOSA-N 312.335 2.575 0 50 DFAA CC(=O)Nc1cnccc1C(=O)N[C@H]1CCCc2sccc21 1433892048 SQYUPOWMMFMVFS-ZDUSSCGKSA-N 315.398 2.909 0 50 DFAA Cn1nc(Br)cc1-c1ccc(OCCF)cn1 1775985009 KXEGNBGTLIITLV-UHFFFAOYSA-N 300.131 2.593 0 50 DFAA O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 630097333 WYWGHHCVAPCOKR-UONOGXRCSA-N 301.367 2.866 0 50 DFAA COc1cc(NC(=O)C[C@@H](C)C(F)(F)F)ccc1C(=O)O 630184732 RDQLGKASFMFVBR-SSDOTTSWSA-N 305.252 2.920 0 50 DFAA Clc1nc2sccn2c1-c1noc(-c2cnccn2)n1 170615415 DHUQDZZXVNHKNO-UHFFFAOYSA-N 304.722 2.556 0 50 DFAA CC(C)(C)C(=O)Cn1cnc2c(sc3ncccc32)c1=O 585118405 NBENVADIDDBURF-UHFFFAOYSA-N 301.371 2.621 0 50 DFAA CC(C)c1csc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)n1 189918502 NZCLNHHQSOXUGF-CYBMUJFWSA-N 316.386 2.793 0 50 DFAA O=C(c1cncc(N[C@@H]2CCc3ccccc3C2)n1)N1CCCC1 1529111949 CCKQFVXMZZLYBZ-MRXNPFEDSA-N 322.412 2.682 0 50 DFAA Cc1ccc(Cl)c(OCCN2C[C@@H]3CCCN3C(=O)[C@H]2C)c1 1772712398 RFKQNMVDVCLNQI-KGLIPLIRSA-N 322.836 2.722 0 50 DFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@H](C2(O)CC2)C1 1772810075 IOAWYPIBHCDDOE-NSHDSACASA-N 309.793 2.726 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N(C)C 14006180 VUUJLNCUFBQIQN-CYBMUJFWSA-N 312.369 2.794 0 50 DFAA O=C(NCc1nc(-c2ccccc2)cs1)[C@@H]1CCCCO1 155207083 GJKFJJSYMLJDEU-AWEZNQCLSA-N 302.399 2.995 0 50 DFAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1Cc2cnc(C)cc2C1 1857669974 HMVGZILHBBLRDZ-LJQANCHMSA-N 321.424 2.679 0 50 DFAA O=C1CCCN1CCC1CCN(c2cnc3ccccc3n2)CC1 1857672348 SQERGDYCXXXKGK-UHFFFAOYSA-N 324.428 2.859 0 50 DFAA C[C@H](NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1F)C1CCOCC1 242324502 ZBUWCNYVGHLYPI-VZJVUDMVSA-N 324.371 2.935 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348252843 CATUFXLQPJURIO-ZIAGYGMSSA-N 322.767 2.766 0 50 DFAA O=C(O)C1(C(=O)Nc2cnn(-c3ccccc3F)c2)CCCC1 910638092 UOIODZJXWNTLSW-UHFFFAOYSA-N 317.320 2.595 0 50 DFAA CCc1nnc(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)o1 932193840 IEPKHJJQGDHIAM-LLVKDONJSA-N 318.446 2.957 0 50 DFAA C[C@@H](NC1CC1)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C 852907875 HAPROGZQJTYXJH-WBMJQRKESA-N 320.408 2.645 0 50 DFAA Nc1cc(CN2Cc3ccc(Br)cc3C2)ccn1 225616509 CDPKTCBAZNZRDN-UHFFFAOYSA-N 304.191 2.942 0 50 DFAA COC(=O)c1nc(-c2ccccc2)oc1N1C[C@H](C)O[C@@H](C)C1 1857800204 CVJXQAAWGFTJDA-RYUDHWBXSA-N 316.357 2.742 0 50 DFAA C[C@H]1NC(=S)N(Cc2cccc(OC3CCCC3)c2)C1=O 2325729511 YVCJRQIJMQSTQK-LLVKDONJSA-N 304.415 2.613 0 50 DFAA Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cnnc2ccccc12 2325758387 XUASVUSBBCLMSY-QGZVFWFLSA-N 321.384 2.649 0 50 DFAA O=C(N[C@H]1[C@@H](O)[C@H]2CCC[C@H]21)c1ccc(-c2ccncc2)s1 2325782730 ABFQVGRESGNANE-KOZAUXTDSA-N 314.410 2.699 0 50 DFAA CSc1nc(N)cc(=NCCOc2ccc(C(C)C)cc2)[nH]1 2325843016 QMJAPVIUEUUNLG-UHFFFAOYSA-N 318.446 2.817 0 50 DFAA COc1ccccc1-c1nc2ccc(OC(C)=O)cc2c(=O)o1 203423 DRFYJKAYZHAPCB-UHFFFAOYSA-N 311.293 2.789 0 50 DFAA CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccccc2C)C1 256737 QNGOMMGOFDOART-HNNXBMFYSA-N 318.417 2.599 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)cccc1Cl 305324 IGSVIAOPKPIFKU-NSHDSACASA-N 315.156 2.794 0 50 DFAA COC(=O)C[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O 310905 QLDFENBFMXEOAZ-OAHLLOKOSA-N 309.321 2.587 0 50 DFAA CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)O)c2C)cc1 434715 MAILLNNWIAAJFU-UHFFFAOYSA-N 313.309 2.871 0 50 DFAA Cc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 469660 CWSWPUABUOISGF-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA C[C@H]1CN(C2CCN(CCc3ccccc3)CC2)C[C@H](C)O1 758093 LDQTXXIPBVZWQI-IRXDYDNUSA-N 302.462 2.803 0 50 DFAA CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 3562637 GYTZNOASRCRGER-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/C(=O)O)c1 10287527 XKQQOMBALSFWCE-VOTSOKGWSA-N 310.737 2.658 0 50 DFAA Cc1ccc(C)c(NC(=O)CNC(=O)c2ccccc2F)c1 8180600 OUUNFSCNHZUOGY-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@@H]2C[C@H]2C2CC2)c1 134561117 NGNZYPSEFIQGNN-UONOGXRCSA-N 314.414 2.849 0 50 DFAA CC[C@](C)(NC(=O)Nc1cncnc1OC)c1nc(C)cs1 135830989 SYWOHXPNPQTYMI-AWEZNQCLSA-N 321.406 2.697 0 50 DFAA CN(Cc1ccoc1)Cc1cccc(C(=O)Nc2nccn2C)c1 67472816 BJDXPPZVRFBACD-UHFFFAOYSA-N 324.384 2.897 0 50 DFAA O=C(c1cc(CO)ccn1)N1CC[C@@H](c2cccc(Cl)c2)C1 219474578 VLSORFGKGABYSI-CQSZACIVSA-N 316.788 2.857 0 50 DFAA CC[C@@H](C)N(C)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 172080452 WTJYLJRCMJELEK-HIFRSBDPSA-N 303.406 2.622 0 50 DFAA CCN(CC)c1ccc(NC(=O)[C@H]2CCO[C@@H]2C(C)C)cn1 331209434 GSXRPUTZWSAKDN-GOEBONIOSA-N 305.422 2.927 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1F 281567097 CIMSXGWJSXPNNB-JSGCOSHPSA-N 305.328 2.630 0 50 DFAA C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 331756369 HUEBGRNZBACJJJ-OCCSQVGLSA-N 315.417 2.672 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)Cc1sc(S)nc1C)CO2 156106742 KHKUDCKAAJOFAF-LLVKDONJSA-N 320.439 2.841 0 50 DFAA COc1ccccc1CC1CCN(C(=O)[C@@H]2CCC[C@@H]2N)CC1 237143689 YMHSTHXANKUDGV-SJORKVTESA-N 316.445 2.604 0 50 DFAA COc1ccc2c(c1)C1(CC1)CN(Cc1cn3cccnc3n1)C2 377725757 QRXFEAKMIVKUQV-UHFFFAOYSA-N 320.396 2.785 0 50 DFAA Cc1cnn([C@@H](C)C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1 72412433 RRFVBCHDFDMXFP-HNNXBMFYSA-N 323.400 2.597 0 50 DFAA O=C(c1ccc([C@@H]2CCCO2)s1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71404000 ZCWHVKVAPBNTBD-ZSLBOAEBSA-N 319.426 2.849 0 50 DFAA Cc1ccc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)n1C 262249760 CEMILTDCNWIQAP-UHFFFAOYSA-N 320.776 2.714 0 50 DFAA N[C@@H]1CCCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 158433152 KHPPOKFHARVANM-HSBSLETESA-N 315.804 2.851 0 50 DFAA O=C(c1ccc[nH]1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 375997779 CIPZMRUVUHMUSW-AWEZNQCLSA-N 309.369 2.580 0 50 DFAA O=C(Cc1cccs1)N1CCO[C@]2(CCc3ccccc32)C1 158513839 ACAHGGQWPWWVTB-GOSISDBHSA-N 313.422 2.991 0 50 DFAA Cc1cccnc1CN1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 284608959 LYHUPFAXJODAFA-DOMZBBRYSA-N 314.389 2.612 0 50 DFAA Cc1cc(NCCc2nc3c(C)cccc3o2)n2ncnc2n1 241784813 RWYVHCXGYUJKED-UHFFFAOYSA-N 308.345 2.537 0 50 DFAA CCOc1ccc([C@H](COC)NC(=O)N2C[C@H]3CC[C@H]2C3)cc1 242389501 ZXRZXFRUDCVOCH-QRTARXTBSA-N 318.417 2.967 0 50 DFAA Cn1c(CN[C@H]2CC(C)(C)OC2(C)C)nnc1-c1ccccc1 132443946 SJGPACHQDAROOO-AWEZNQCLSA-N 314.433 2.918 0 50 DFAA CC1(C)CN(Cc2ncnn2C(C)(C)C)C[C@@H](C(F)(F)F)O1 428921988 CDIXCXBRFQJUKL-JTQLQIEISA-N 320.359 2.575 0 50 DFAA O=C(O)C1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 178175312 YKPGIKUSKVFDTO-AATRIKPKSA-N 310.353 2.571 0 50 DFAA C[C@@H](CC(=O)NCCCn1ccc2ccccc21)n1cccn1 424539584 HVCDASHSDAZXNN-HNNXBMFYSA-N 310.401 2.995 0 50 DFAA CCc1ccc([C@@H]2CCCN2C(=O)NCc2cncn2C)o1 291827400 INOVDGSHPIEVOJ-AWEZNQCLSA-N 302.378 2.622 0 50 DFAA CC1(C)CN(C(=O)c2cc(C3CC3)on2)C[C@H](C(F)(F)F)O1 292214478 BIBJIDURTUUPKU-LLVKDONJSA-N 318.295 2.734 0 50 DFAA O=C(O)c1ccc(N2CCC[C@@H](C(=O)c3ccccc3)C2)nc1 95526466 CUGHFPUDAYLVCJ-OAHLLOKOSA-N 310.353 2.879 0 50 DFAA COc1cccc2c1OC[C@@H](Cc1ccc(CC(N)=O)cc1)C2 95356321 LIDAJJUGYZHOFX-HNNXBMFYSA-N 311.381 2.517 0 50 DFAA Cc1cc(C)cc(N2CCN(C[C@@H]3CCCCN3C)CC2)c1 244584415 CYYBDLBGRZSKSF-SFHVURJKSA-N 301.478 2.910 0 50 DFAA O=C(Cc1ccccc1O)NCc1cc(Cl)cc2c1OCC2 184868038 NGQQVTXWGWPJBN-UHFFFAOYSA-N 317.772 2.839 0 50 DFAA CCN(CC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)C1CC1 299740989 CPNLKAILVFPZLR-KSSFIOAISA-N 320.408 2.504 0 50 DFAA O=C(NCCCSCc1ccco1)N1CCSCC1 534631068 KWCIFVQMIPTUIW-UHFFFAOYSA-N 300.449 2.661 0 50 DFAA Nc1ccncc1-c1cccc(C(=O)NCCN2CCCCC2)c1 299766846 GIENQLSLFJODFT-UHFFFAOYSA-N 324.428 2.547 0 50 DFAA O=C1CN(CC[C@H]2CC2(F)F)CCN1Cc1ccc(F)cc1 670437259 PFHKRIHDSUVTQB-ZDUSSCGKSA-N 312.335 2.515 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cc(C)[nH]n2)cc1 1424749746 YYHQLYZJRNBMNY-INIZCTEOSA-N 319.430 2.942 0 50 DFAA COC1CC(C(=O)O)(N(C)C(=O)c2cccc3ccccc23)C1 1775994084 SFZOXXGTSFVXCM-UHFFFAOYSA-N 313.353 2.544 0 50 DFAA CC(C)C[C@@H]1C[C@H](N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CCO1 408012379 HYNVRZSPGISFNO-JJXSEGSLSA-N 317.495 2.526 0 50 DFAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1ccc(C(C)(C)C)cc1 170086140 RCFVZAQFZFESKX-LSDHHAIUSA-N 318.461 2.511 0 50 DFAA Cc1ccc(-n2cc(NC(=O)NC[C@@H]3CCCO3)cn2)c(C)c1 189669049 YREMIVMUQHOKDP-HNNXBMFYSA-N 314.389 2.790 0 50 DFAA CCN(Cc1cccc(C)c1)C(=O)c1conc1C(C)(C)N 1615054587 KSONZQHJUDNZLB-UHFFFAOYSA-N 301.390 2.839 0 50 DFAA CN(C)c1nc(OCc2ccccc2)ncc1Br 34423310 XJFSSPYYQITUEP-UHFFFAOYSA-N 308.179 2.884 0 50 DFAA in-vitro Cc1ccc(OC2CN(C[C@H]3CCC(=O)N(C(C)C)C3)C2)cc1 1775981222 QUNSBTRXFKAKJQ-MRXNPFEDSA-N 316.445 2.705 0 50 DFAA Cc1ccn(CC(=O)NCc2cccnc2Oc2ccccc2)n1 11937837 DOWBOPKJWPTIJX-UHFFFAOYSA-N 322.368 2.695 0 50 DFAA O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1Cl 11990935 PWVLADUPQKFMHW-MRVPVSSYSA-N 322.213 2.757 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 12417549 OUHFXIVFJAQGHS-PHIMTYICSA-N 301.383 2.501 0 50 DFAA Cc1cccc(N2C[C@@H](C(=O)Nc3ncc(C)s3)CC2=O)c1 13535813 SLJNVVSLAUJDJN-LBPRGKRZSA-N 315.398 2.752 0 50 DFAA Cc1nc(O)c2c(n1)[C@]1(CCCN(c3ccncc3F)C1)CC2 1857727074 KEGNZHZFWYZZDN-QGZVFWFLSA-N 314.364 2.509 0 50 DFAA CNC[C@H]1CCCN(C(=O)[C@@H](C)Oc2cc(C)ccc2Cl)C1 237298597 DLIOWFGCRNWAKV-ZIAGYGMSSA-N 324.852 2.874 0 50 DFAA O=C(O)C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc32)c2ccccc21 321783032 RVFOECKYQXHDQD-XJKSGUPXSA-N 307.349 2.931 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1)CCC(=O)N2 125721331 SZVCRPPBOSDIBO-GFCCVEGCSA-N 309.369 2.800 0 50 DFAA Cc1cc2[nH]ncc2cc1NS(=O)(=O)Cc1ccc(F)cc1 241837503 SKRVLLYUDAMAQK-UHFFFAOYSA-N 319.361 2.952 0 50 DFAA O=C1CCCN1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)CC1 665251812 LGRAZBOBRBTMNG-CQSZACIVSA-N 312.417 2.540 0 50 DFAA O=C(N[C@@H]1CCc2ccccc2OC1)c1noc2c1CCCC2 374610818 LRWDSIJSLUTJSO-CYBMUJFWSA-N 312.369 2.677 0 50 DFAA CCc1ccc([C@@H]2CCCN2[C@H](C)C(=O)NC[C@@H]2CCCO2)o1 265467814 OOGYPDORENBHRZ-KBMXLJTQSA-N 320.433 2.663 0 50 DFAA Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1 36377905 BTOJSYRZQZOMOK-UHFFFAOYSA-N 307.762 2.630 0 50 DFAA in-vitro CC1=CCC[C@H](C)[C@H]1CNCc1cn(C(C)C)c(=O)nc1O 1653016943 MFVWKOZLYKZCOW-ZFWWWQNUSA-N 305.422 2.612 0 50 DFAA COc1cn(CN2CCC[C@@H]2c2csc(C)n2)c(C)cc1=O 902226018 IVZGXAPFFAMIBW-CQSZACIVSA-N 319.430 2.725 0 50 DFAA O=C(CSc1ncn[nH]1)Nc1ccccc1C(F)(F)F 5731302 ABVMIOMXIGXOOQ-UHFFFAOYSA-N 302.281 2.554 0 50 DFAA Cc1cc(C)cc(C2(C(=O)N[C@H](C)[C@H](C)C(=O)O)CCC2)c1 2325750384 VNZKLIPEFMOWOJ-UONOGXRCSA-N 303.402 2.951 0 50 DFAA O=C(NC1(C(=O)O)CC2(CCC2)C1)c1cc2sccc2[nH]1 2325778447 ZZPORNGMRSUDHI-UHFFFAOYSA-N 304.371 2.747 0 50 DFAA O=C(c1ncccn1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325780075 FOMMCQQUJGHJSG-UHFFFAOYSA-N 317.776 2.814 0 50 DFAA Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)n1 270135 IGPRMFBPPJVUSB-UHFFFAOYSA-N 305.403 2.784 0 50 DFAA CC1=CC[C@H]2CN(C(=O)CC3=CSC4=NCCCN34)C[C@H]2C1 1074560645 ZCXKQXHNRPKINQ-UONOGXRCSA-N 317.458 2.841 0 50 DFAA CCOc1cc(CO)ccc1OCC(=O)Nc1ccc(F)cc1 479878 LTKJBOMDUCWXAQ-UHFFFAOYSA-N 319.332 2.734 0 50 DFAA CN(C(=O)CN1C(=O)C(C)(C)Nc2ccccc21)c1ccccc1 2216953 UMPYWOBKQCMYEN-UHFFFAOYSA-N 323.396 2.887 0 50 DFAA CCN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 2680428 FXTAHOZNLWXZLB-UHFFFAOYSA-N 322.364 2.726 0 50 DFAA CC[C@H](Sc1nnc2sc3ccccc3n12)C(=O)OC 2846234 IPCVLLMSMUQAKL-VIFPVBQESA-N 307.400 2.988 0 50 DFAA CCCNC[C@H](O)COc1ccc(C(C)=O)cc1COCCC 3130407 KFJRWDSGXLCBSG-KRWDZBQOSA-N 323.433 2.555 0 50 DFAA CCOc1cc(S(=O)(=O)Nc2ccncc2)ccc1Cl 4970416 SHKUCYRCSYYHAS-UHFFFAOYSA-N 312.778 2.935 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(F)cc1 6743231 LQVHBAPBLKNPTI-CQSZACIVSA-N 304.321 2.812 0 50 DFAA Cc1ccc(F)cc1NC(=O)CNC(=O)c1ccccc1F 8078771 TWFYUSVVVVOOFE-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA CC(=O)c1ccc(NC(=O)C[C@H](C)n2nc(C)nc2C)cc1 8714430 KXZMONWEWKIPOJ-JTQLQIEISA-N 300.362 2.687 0 50 DFAA Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(C(=O)O)ccn1 416416515 LPZQMODHTPXBNF-CYBMUJFWSA-N 312.369 2.791 0 50 DFAA CCCn1nccc1C(=O)N(Cc1ccsc1)[C@H](CC)CO 55325689 GUHOEBNFZODBGO-CQSZACIVSA-N 321.446 2.768 0 50 DFAA Cc1nsc(NC(=O)N[C@@H](c2ccccn2)C(F)(F)F)n1 55328047 MQJCZAKIHBPOLX-QMMMGPOBSA-N 317.296 2.667 0 50 DFAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccccc2F)[C@H]2C=C[C@H]1C21CC1 102987603 AJOZMNVJNWXRBZ-DMTCVQMQSA-N 301.317 2.677 0 50 DFAA c1ccc(CCCN2CCCN(C[C@H]3CCCNC3)CC2)cc1 106986724 VGRWUKDHVGBNTC-FQEVSTJZSA-N 315.505 2.627 0 50 DFAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccsc2)cn1 248161776 XUUSYYZJCAABSB-ZNMIVQPWSA-N 301.415 2.949 0 50 DFAA CC(C)N1C[C@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 117720165 UETRPBYQAHKAOM-CQSZACIVSA-N 318.442 2.621 0 50 DFAA c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 22591386 CKCOVRSSHYCTBF-UHFFFAOYSA-N 316.426 2.795 0 50 DFAA Cc1cccc(F)c1NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 350810303 HUJOJNNDNVMWGN-KGLIPLIRSA-N 308.353 2.546 0 50 DFAA COc1cc(NC(=O)N[C@@H]2CCCc3sccc32)ncn1 127235953 GBMVORXKZXHHSL-SNVBAGLBSA-N 304.375 2.746 0 50 DFAA CCOc1ccc(NC[C@@H](O)COc2ccc(OC)cc2)cc1 28403378 GYMXWZMEACBWMV-OAHLLOKOSA-N 317.385 2.946 0 50 DFAA COc1ccc(NC(=O)[C@H](C)n2ncc3ccccc3c2=O)cc1 65364564 FPJGQNPEIRCWRV-LBPRGKRZSA-N 323.352 2.605 0 50 DFAA Oc1n[nH]c(CN2CCC([C@H](F)c3ccccc3F)CC2)n1 352543458 FKAHBQLOOFZFRH-AWEZNQCLSA-N 308.332 2.572 0 50 DFAA CCOc1ccc(CNCCCN2CCOCC2)cc1Cl 20177136 CQUWRCHTHPZSCL-UHFFFAOYSA-N 312.841 2.551 0 50 DFAA CC(C)n1cnc(C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 328586640 ODXOQOMWGZEJTJ-YOEHRIQHSA-N 316.449 2.553 0 50 DFAA COC(=O)c1c(F)cccc1NC(=O)[C@@H]1COc2ccccc21 172004186 CYQYEGHPBJFENU-LLVKDONJSA-N 315.300 2.727 0 50 DFAA CSCC[C@@H]1NC(=O)N([C@@H]2C[C@]2(C)c2ccccc2C)C1=O 252548587 QECRDDCSLFUDFA-JJRVBVJISA-N 318.442 2.699 0 50 DFAA Cc1noc2ncnc(N(C)C[C@H]3CCN(c4ccccc4)C3)c12 77355157 BXJAEHCGVKJWRM-CQSZACIVSA-N 323.400 2.889 0 50 DFAA O=C(C[C@@H]1CCNC1)N(Cc1cccnc1)C1CCCCC1 215358046 TWHNGJONYKRYRH-HNNXBMFYSA-N 301.434 2.743 0 50 DFAA Cc1ncsc1CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77460081 HGRSTXQHHNGADD-GFCCVEGCSA-N 304.419 2.513 0 50 DFAA Cc1cccc(NC(=O)CN2CCC[C@H](c3ccncn3)C2)c1C 363014369 JLDGIMBQMKVEFN-INIZCTEOSA-N 324.428 2.912 0 50 DFAA C[C@@H](Cc1cnccn1)Nc1nccc(CCC(F)(F)F)n1 71759226 AAFZJOAXSGGNDY-JTQLQIEISA-N 311.311 2.805 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(NC[C@@H](C)O)nc2)n1 72429236 MWRXMUYNWMYCDR-GFCCVEGCSA-N 310.357 2.900 0 50 DFAA COc1cc(C)ccc1OCCC(=O)N1CCCC[C@H]1[C@H](C)N 237107929 JYBFVCSRFGZRIO-GJZGRUSLSA-N 320.433 2.501 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)[C@H](N)Cc3ccccc3)C2)cc1 237292955 QCPLZNASXIPNHX-IEBWSBKVSA-N 324.424 2.581 0 50 DFAA O=C(/C=C/c1cccc(O)c1)NC[C@@H](O)c1ccccc1Cl 156141960 VNAABMWNAYVCOA-ROJDOSBLSA-N 317.772 2.909 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC[C@@H]2CCNC2)[C@H](C)CO1 261829147 JAYUVCMGTUZFFQ-NUJGCVRESA-N 316.445 2.673 0 50 DFAA Cc1nnc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)o1 72454246 DIMGOCMOHCQWCK-LLVKDONJSA-N 317.389 2.573 0 50 DFAA Cc1nn(C)cc1CC(=O)Nc1cnn(CC(C)C)c1C(C)C 450324420 OWMSREMUGPLTDR-UHFFFAOYSA-N 317.437 2.886 0 50 DFAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1Nc1nccc(C(F)(F)F)n1 286358061 KQUZXYBLVDDFQW-LDYMZIIASA-N 316.327 2.601 0 50 DFAA CCc1nc(N2CC[C@@H](c3cc(OC)ccc3OC)C2)no1 77459371 YWIUBNBJMIXTTF-LLVKDONJSA-N 303.362 2.643 0 50 DFAA COc1ccc(Cl)cc1CN(C)c1ccc2nc(C)nn2n1 341471584 POJRIYAFMPRYEX-UHFFFAOYSA-N 317.780 2.731 0 50 DFAA COC(=O)C[C@H](NC(=O)c1occc1C(C)C)c1ccncc1 241470708 NXGPXPIMAPVHOS-AWEZNQCLSA-N 316.357 2.832 0 50 DFAA C[C@@H]1Cc2ccccc2CN1C(=O)NCc1cccc(CO)c1 174756397 HTSRMAQGSOBZPX-CQSZACIVSA-N 310.397 2.835 0 50 DFAA CCCCS(=O)(=O)N[C@@H](C)c1ccccc1-n1cccn1 131795958 FWCDZPHEAIXLOI-ZDUSSCGKSA-N 307.419 2.653 0 50 DFAA O=C(CCn1ccc2ccccc21)N[C@@H](C(=O)O)c1ccccc1 40310026 ALRGIMPRMPFXDC-GOSISDBHSA-N 322.364 2.974 0 50 DFAA biogenic COc1cccc(-c2ccc(C(=O)NCCn3ccnc3)o2)c1 426599519 HDEINIDZPFNQND-UHFFFAOYSA-N 311.341 2.582 0 50 DFAA O=C(CSc1ccncc1)NCCc1nc2ccccc2o1 222879323 NGTYGRCQEURVBR-UHFFFAOYSA-N 313.382 2.674 0 50 DFAA O=C(c1ccccc1-n1ccnn1)N1CC2(CCC2)[C@@H]1C1CC1 291817699 DQKYAEFEUBITDX-INIZCTEOSA-N 308.385 2.672 0 50 DFAA COc1ccc(CNC(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 178122608 NGWALPIKVQNSPO-FGTMMUONSA-N 308.381 2.833 0 50 DFAA CC[C@@H]1CN(C)CCCN1C(=O)Cc1coc2ccccc12 614340465 CFVMJGSAXFKKNL-OAHLLOKOSA-N 300.402 2.918 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 20602219 NWEFQYSAIJSZAO-INIZCTEOSA-N 314.316 2.966 0 50 DFAA CNC[C@H]1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 179009852 GFDRIZVCFXRZNQ-GFCCVEGCSA-N 301.365 2.502 0 50 DFAA Cc1csc(SCC(=O)N(C)[C@@H]2CCOC(C)(C)C2)n1 220196209 DCSUREYKHNKCHM-LLVKDONJSA-N 314.476 2.960 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCn2cccc2[C@@H]1C 179399731 ALNHJFUUAWYSCM-FZMZJTMJSA-N 300.406 2.925 0 50 DFAA COCC1(NC(=O)[C@H](c2cccc(F)c2)N(C)C)CCCC1 95391143 YDPNXPXREOVPRQ-HNNXBMFYSA-N 308.397 2.504 0 50 DFAA Cc1nc(NCc2n[nH]c3c2CCCCC3)c2nc(C)oc2n1 91974186 MXNHEZXGGKZUCV-UHFFFAOYSA-N 312.377 2.839 0 50 DFAA O=C(N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1)c1ccoc1 244874416 XAYVQWPMMLVFOS-WBIUFABUSA-N 307.296 2.800 0 50 DFAA CC(C)(C(=O)N[C@@H]1COc2ccccc2C1=O)C1CCCC1 181585092 DKELLOIBFRKOHC-CQSZACIVSA-N 301.386 2.963 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)CC1Cc2ccccc2C1 244874516 XCTOOQGRHPFJLQ-CYBMUJFWSA-N 312.417 2.670 0 50 DFAA CCc1cccc(CC)c1NC(=O)CCN1CCC[C@H](O)C1 244884151 YGKBLWSVAIZLNY-INIZCTEOSA-N 304.434 2.597 0 50 DFAA O=C1[C@H]2[C@@H]([C@H](O)N1c1ccc(Br)cc1)[C@H]1C=C[C@H]2C1 243932710 BYHFUTIYFNBRMP-TUIFDTLZSA-N 320.186 2.552 0 50 DFAA CCOC(=O)N1CC[C@@H](NCCc2c[nH]c3c(C)cccc23)C1 534667062 BXJWHTUKLRIEQM-OAHLLOKOSA-N 315.417 2.839 0 50 DFAA CCc1nc(C)sc1CNC(=O)N1CCC(F)(F)CC1 584894214 AESRZFFLTITMTN-UHFFFAOYSA-N 303.378 2.955 0 50 DFAA c1cc([C@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)n[nH]1 670456646 GPLWZXKDTIIREU-ZDUSSCGKSA-N 317.462 2.846 0 50 DFAA CC(C)(C)n1ncnc1[C@H]1CCCC[C@H]1C(=O)N1CCCC1 670469184 PLIDCLQVGXNUCB-UONOGXRCSA-N 304.438 2.929 0 50 DFAA CON(C)CCCNC(=O)c1ccc(-c2csc(C)n2)cc1 863947446 LOGRKZQRSXNGRC-UHFFFAOYSA-N 319.430 2.732 0 50 DFAA CN1CC[C@H](Cc2nc(-c3cccc(Br)c3)no2)C1 874435395 QYXQSHLPTFKZAI-SNVBAGLBSA-N 322.206 2.993 0 50 DFAA C[C@]1(c2nc(-c3ccc(N4CCC(N)CC4)cc3)no2)C[C@H]1F 1875266419 MQVIRESFPWIRIU-PBHICJAKSA-N 316.380 2.664 0 50 DFAA Cc1cc(C)c(C(=O)NCc2oc(C(C)C)nc2C)c(=O)o1 1875313996 BYDANQWYIFBKPG-UHFFFAOYSA-N 304.346 2.606 0 50 DFAA CN(Cc1cccc(C(F)(F)F)c1)c1cncc(C(=O)O)n1 1148640318 SPKHJRCHAMVIDF-UHFFFAOYSA-N 311.263 2.830 0 50 DFAA Cc1ccc2c(CC(=O)NCCc3ccnnc3)coc2c1C 1775999582 OWZAXVIPZVGNPB-UHFFFAOYSA-N 309.369 2.741 0 50 DFAA O=C1[C@@H]2CC[C@@H](CN(Cc3cccnc3)C2)N1Cc1ccccc1 1565529100 NKQYYQZNTWKZOG-MOPGFXCFSA-N 321.424 2.705 0 50 DFAA CCc1cnc(CNC(=O)c2sc(C)cc2OC(F)F)[nH]1 1471855533 VIQZVBQWCIOBHH-UHFFFAOYSA-N 315.345 2.873 0 50 DFAA C[C@@](O)(CNC(=O)Cc1cccc2ccccc12)c1ccco1 304349208 DUSYWHKYGWCLFJ-LJQANCHMSA-N 309.365 2.999 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)Nc1c(C)c(C(F)(F)F)nn1C 277571153 XZCBHAFOYFNVSR-NXEZZACHSA-N 319.327 2.891 0 50 DFAA CC(C)[C@H](NC(=O)c1cnc(-c2ccccn2)s1)C(C)(C)O 170090420 BRINDHFBGNDOIK-ZDUSSCGKSA-N 319.430 2.730 0 50 DFAA Cc1cc(NC(=O)C(=O)Nc2ccc3c(c2)COC3)ccc1F 189694014 QHJICNVZFOMFHW-UHFFFAOYSA-N 314.316 2.742 0 50 DFAA Cc1oncc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 585086985 UYBSAPNDXFETAL-MRXNPFEDSA-N 316.357 2.881 0 50 DFAA CC(C)CO[C@H](C)C(=O)NCc1cc(Br)ccn1 585086783 CALOGCYKNVJRNV-SNVBAGLBSA-N 315.211 2.521 0 50 DFAA O=C1CCN(C(=O)c2cc(F)cc3cccnc23)[C@H](C2CC2)C1 585125178 JGBVMSMBQRGATF-INIZCTEOSA-N 312.344 2.958 0 50 DFAA Clc1cnc(N[C@H]2CCOC[C@@H]2OCc2ccccc2)nc1 710003405 LJKHVBIHUATEOU-GJZGRUSLSA-N 319.792 2.916 0 50 DFAA c1ccc(N2CC[C@H](NCc3ccccc3-n3cncn3)C2)cc1 1506404158 VRUQMJYAXMLQFI-KRWDZBQOSA-N 319.412 2.636 0 50 DFAA CCCC[C@@H]1CN(c2cc(C(N)=O)ccn2)C[C@H](C(C)C)O1 1529159390 PPAGYSMYQRHWPO-HUUCEWRRSA-N 305.422 2.601 0 50 DFAA COc1ccc(C(=O)O)cc1CN(C)CC[C@H]1CCCCO1 1529106396 NWSFQQVZMXKHCM-OAHLLOKOSA-N 307.390 2.784 0 50 DFAA Cn1ccnc1CNCc1cccnc1N1CCCCCCC1 12316152 NZLONTQMDSRNKR-UHFFFAOYSA-N 313.449 2.875 0 50 DFAA c1cc2c(cc1CN1CCN(C3CCCCC3)CC1)OCO2 19850984 ABDFOQIREXFIEC-UHFFFAOYSA-N 302.418 2.866 0 50 DFAA CCCC1(CNC(=O)N2CCN(c3ccncc3)CC2)CCC1 155301576 MOFSMUGCSSZFAL-UHFFFAOYSA-N 316.449 2.884 0 50 DFAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(C(=O)O)c1 319783469 GVQWPKKQWBUOGJ-MEBBXXQBSA-N 313.309 2.552 0 50 DFAA CC1(C)[C@H](NC(=O)NCCc2cccc(F)c2F)[C@H]2CCO[C@H]21 230154436 BBKXLDBLIJDHRS-KCPJHIHWSA-N 324.371 2.620 0 50 DFAA Cc1c(C(=O)N2C[C@@H](F)C[C@H]2CO)[nH]c2c(Cl)cccc12 331430932 GFEPSUUSADSVOE-UWVGGRQHSA-N 310.756 2.675 0 50 DFAA COc1ccc2c(c1)CCN(C(=O)C(C)(C)c1cccnc1)CC2 439377791 KCYKMFQCAVLIQA-UHFFFAOYSA-N 324.424 2.995 0 50 DFAA Cn1cc([C@@H]2CCCCN2c2ncnc3c2ncn3C2CC2)cn1 333743023 WFXMMUCGAYKMGZ-AWEZNQCLSA-N 323.404 2.626 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2COc3ccccc32)c2ccccc21 392505962 MGAKCYTXIHORJI-CABCVRRESA-N 323.348 2.768 0 50 DFAA Cc1cc(F)c(C(F)(F)F)cc1NC(=O)CO[C@H]1CCOC1 1646104727 KQNKEJLNLYMFEM-VIFPVBQESA-N 321.270 2.897 0 50 DFAA COc1cc(C)ccc1C(=O)N[C@H](C)c1ncc(C(=O)O)s1 910161058 RAJHAOWJEFFKMT-SECBINFHSA-N 320.370 2.649 0 50 DFAA CCN(CC(=O)OC)C(=O)c1ccc(-c2cccc(C)c2)n1C 844381631 OMNZLGLVHFBLSS-UHFFFAOYSA-N 314.385 2.636 0 50 DFAA CS[C@@H]1CCCCN(c2ncc(Br)cn2)C1 154647861 DYALHGFEHCYRBU-SNVBAGLBSA-N 302.241 2.961 0 50 DFAA Cc1cc(C)c(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)c1 15108734 MROOOLMTEWZSTB-HUUCEWRRSA-N 311.381 2.746 0 50 DFAA c1ccc2c(c1)cnn2C1CCN(CCc2cnccn2)CC1 2325771938 CVXXVHXMIATYDZ-UHFFFAOYSA-N 307.401 2.706 0 50 DFAA Cn1cc(CN2CC(Cc3ccoc3)C2)c(-c2ccncc2)n1 898160582 KIRNYQGSEKIMOY-UHFFFAOYSA-N 308.385 2.750 0 50 DFAA O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1 106390 JNZSKVYEGHTPGF-UHFFFAOYSA-N 313.744 2.689 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 184050 ZNWUTVNYUJELQH-UHFFFAOYSA-N 304.371 2.587 0 50 DFAA O=C(COC(=O)c1ccncc1)c1ccc(Br)cc1 285453 PMZNDVLPUMUSFT-UHFFFAOYSA-N 320.142 2.884 0 50 DFAA CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)cc2)CC1 460156 SYBDCRGRTGGSCD-RMKNXTFCSA-N 317.385 2.510 0 50 DFAA CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)cc1 966716 AWCQDIJMYZEIPK-GHXNOFRVSA-N 305.355 2.931 0 50 DFAA CC(=O)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12 2438819 CSWILLDPSWTCBK-UHFFFAOYSA-N 317.352 2.581 0 50 DFAA COc1ccc(C2(C(=O)NCCCN(C)C)CCCC2)cc1 2860765 NXOQEVJWHJNOMY-UHFFFAOYSA-N 304.434 2.575 0 50 DFAA COc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 2993285 IPDGVVXSIVFGBE-UHFFFAOYSA-N 302.374 2.640 0 50 DFAA Cc1cc(=O)[nH]c(SCc2nc(-c3ccccc3C)no2)n1 4385873 IVMQCBHCTSQDDG-UHFFFAOYSA-N 314.370 2.729 0 50 DFAA Brc1ccc(-c2ccc(CNc3nn[nH]n3)o2)cc1 4943016 IZSUWCIRXPPUGQ-UHFFFAOYSA-N 320.150 2.834 0 50 DFAA COc1ccc([C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 5723101 XMIULYVRDUZRCB-ZWNOBZJWSA-N 309.362 2.777 0 50 DFAA COc1ccc(C2(C(=O)Nc3cccnc3)CCOCC2)cc1 6662527 ZJCYWOHWAWHQTQ-UHFFFAOYSA-N 312.369 2.777 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 6697625 MWHZJHXCCOXOFI-GXTWGEPZSA-N 300.402 2.611 0 50 DFAA CCCN1CCC(N[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 11705845 CVPVPXGBWKCCTP-QGZVFWFLSA-N 321.509 2.774 0 50 DFAA COCC(=O)NCc1cccnc1Oc1c(C)cccc1C 11818673 KXVXVJMFZPXMCD-UHFFFAOYSA-N 300.358 2.753 0 50 DFAA Cc1cc(S[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)ncn1 12000578 RQJAQDUSPTXIQP-JTQLQIEISA-N 317.370 2.603 0 50 DFAA O=C1C[C@H](NCCCC(F)(F)F)CN1Cc1cccc(F)c1 12021626 SYZBNEBMJSERNY-ZDUSSCGKSA-N 318.314 2.859 0 50 DFAA O=C1[C@@H]2CCCN2C(=O)c2ccccc2N1Cc1ccccc1 12296792 MSMQFUOLWJINDH-KRWDZBQOSA-N 306.365 2.838 0 50 DFAA biogenic CCOc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1 19533289 MGEFEPZHBYTXNZ-UHFFFAOYSA-N 304.434 2.776 0 50 DFAA COc1ccc(CCN[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC 20264075 ASIXXJPWMHNLIN-SQWLQELKSA-N 306.450 2.565 0 50 DFAA CC(C)c1ccc([C@@H](C)NC(=O)c2c(C(=O)O)cnn2C)cc1 20614614 UVPCFSPDOOPYJD-LLVKDONJSA-N 315.373 2.733 0 50 DFAA COc1ccccc1CN1CCN(C(=O)Cc2ccccc2)CC1 20806234 ONSAXNWLIRCVND-UHFFFAOYSA-N 324.424 2.582 0 50 DFAA CCn1nc(-c2nn3c(-c4ccco4)nnc3s2)cc1C 32104023 FEQXMOLSTNIBAF-UHFFFAOYSA-N 300.347 2.638 0 50 DFAA CCCC(=O)Nc1ccc(CC(=O)N2CCC(F)CC2)cc1 55042702 JOXFXAOILNQILO-UHFFFAOYSA-N 306.381 2.928 0 50 DFAA COc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1OC 57531006 ZGSMSJVVRDMGSD-UHFFFAOYSA-N 324.262 2.827 0 50 DFAA CCc1ccc(CN2CCC(O)(c3ccc(C)cn3)CC2)nc1 67433613 KBBJJXWCLXNBRN-UHFFFAOYSA-N 311.429 2.831 0 50 DFAA CC(=O)NC[C@@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 67974835 MIMCPOXGKUYATM-KRWDZBQOSA-N 304.434 2.822 0 50 DFAA CO[C@@H]1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1 72425439 GSQIOVAKBOTAKI-OAHLLOKOSA-N 308.385 2.930 0 50 DFAA COc1cc(C(=O)N(C)Cc2cccc3cnccc23)ccn1 77436556 TUMYFQJFCIGMHR-UHFFFAOYSA-N 307.353 2.911 0 50 DFAA COCCOc1ccc([C@H](C(=O)O)N2CCCCCC2)cc1 95380162 NDTGTJZRTFYDJO-MRXNPFEDSA-N 307.390 2.714 0 50 DFAA COC(=O)c1ccc(CNc2nc3c(s2)c(C)nn3C)cc1 95528232 JYYZVWTZGGLKDC-UHFFFAOYSA-N 316.386 2.737 0 50 DFAA Cc1ccc2cc(C(=O)NCc3nnc(C4CCC4)n3C)[nH]c2c1 129303017 IDKIAECPJPFSCQ-UHFFFAOYSA-N 323.400 2.802 0 50 DFAA CS[C@@H](C)CCNC(=O)C1(c2ccccc2)CCNCC1 133283228 HMCOPBDMMQCDQI-AWEZNQCLSA-N 306.475 2.566 0 50 DFAA CC[C@@H](C(=O)Nc1cccc2ccc(O)cc12)N1CCCC1=O 154971601 VRNKKLZUKHPMNT-INIZCTEOSA-N 312.369 2.885 0 50 DFAA CCc1ccccc1C(=O)NCc1nc(C)c(C(=O)O)s1 161727747 KMAWOAWFFGAHCC-UHFFFAOYSA-N 304.371 2.642 0 50 DFAA CC(C)[C@@H](NC1CCC2(CC1)OCCO2)c1nc(C2CC2)no1 161794926 AXCONUVZMDQTKP-CQSZACIVSA-N 321.421 2.919 0 50 DFAA CCO[C@H]1C[C@@H](NC(=O)NCc2ncoc2C)C12CCCCC2 170591736 LUPUFTJVWSBVOU-CABCVRRESA-N 321.421 2.910 0 50 DFAA CCSCC[C@@H](C)N(C)C(=O)c1c(C)nn2cccnc12 170608839 DJOLIZWESLQPOF-LLVKDONJSA-N 306.435 2.641 0 50 DFAA CN(C)[C@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1 170864791 SCIMPCAHNVMBNU-ZDUSSCGKSA-N 303.793 2.664 0 50 DFAA CCCC(=O)N1CCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 172433946 SVBSQISVUZQKEO-INIZCTEOSA-N 312.413 2.856 0 50 DFAA COCCOCCN1CCC[C@H](c2nc3c(s2)CCCC3)C1 177974246 DPHOQXOYABTDRN-AWEZNQCLSA-N 324.490 2.864 0 50 DFAA COc1cccc([C@@H]2CN(Cc3cccc4nccn34)CCO2)c1 180047738 RGUZMWZQOSOMSP-SFHVURJKSA-N 323.396 2.916 0 50 DFAA CC1(C)[C@@H](NC(=O)c2cnns2)C[C@H]1OCc1ccccc1 187437462 BGDCZJKNPSNPEW-UONOGXRCSA-N 317.414 2.652 0 50 DFAA Fc1ccc([C@@H]2CN(CCn3ccnc3)CCO2)c(Cl)c1 187861954 RXTKMEUYPUTNRB-HNNXBMFYSA-N 309.772 2.749 0 50 DFAA CC(=O)Nc1nc(CN[C@H]2CCO[C@@H]2c2ccccc2)cs1 191946275 QINIJZWXDYOHTK-LSDHHAIUSA-N 317.414 2.721 0 50 DFAA Cc1cc(C)n2c(SC[C@H](O)c3ccc(F)cc3)nnc2n1 192577168 FVAFLEPDLNOACC-ZDUSSCGKSA-N 318.377 2.706 0 50 DFAA Cc1cccc(O[C@@H](C(=O)N(C)Cc2nnc(C)o2)C(C)C)c1 217056865 WPYDBMANEKFRHC-MRXNPFEDSA-N 317.389 2.748 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1Cl 237254565 CBXXQDVFZSRASR-MRVPVSSYSA-N 305.180 2.957 0 50 DFAA COc1cccc([C@H](C)CC(=O)N2CCC(C(=O)O)CC2)c1 237322414 NXERPWFWXJUNHP-GFCCVEGCSA-N 305.374 2.512 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)o1 237356912 GZIFPWXDBFLVTI-HAHYFUCESA-N 303.358 2.739 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 237484486 DJGWTGBPAGHBFV-AIIUZBJTSA-N 307.463 2.792 0 50 DFAA C[C@H](NC(=O)CNc1ccccc1)c1cn(-c2ccccc2)nn1 237641178 DXLJXRJTLGHHKS-AWEZNQCLSA-N 321.384 2.557 0 50 DFAA Cc1ccc(C)c(OCCCCC(=O)N2CC[C@H](C(=O)O)C2)c1 237653570 DJXQPFOGEFNOJP-HNNXBMFYSA-N 319.401 2.786 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)on2)cc1 237702040 CXLMBEBCBLEYFY-CYBMUJFWSA-N 314.341 2.587 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc2c(c1)CCC2 239433090 XEWYGWDVCSWDJS-SJUNHDGSSA-N 323.392 2.883 0 50 DFAA CCOC(=O)c1ccc(F)c(C)c1NC(=O)[C@H]1CCCCO1 242284670 YITAPGKYYUNBTI-CYBMUJFWSA-N 309.337 2.818 0 50 DFAA COCc1ccc(NC(=O)NC2CCN(CC3CC3)CC2)cc1 252484133 FPKIQVGYYSSXNW-UHFFFAOYSA-N 317.433 2.829 0 50 DFAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@H](C)OC(C)(C)C1 252497878 FTZSFXNOEKBIRJ-QEJZJMRPSA-N 303.402 2.825 0 50 DFAA O=C(CCCc1cccs1)N[C@@H]1CCCC2(C1)OCCO2 253425608 AFJPHUWYZWTYCA-CYBMUJFWSA-N 309.431 2.873 0 50 DFAA CCCc1ncc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)s1 262453684 UYRIDWWVEXESQO-UTUOFQBUSA-N 322.430 2.954 0 50 DFAA O=C(COCC(F)(F)F)NCc1ccccc1OCC1CC1 265711405 IOSPMTFBMHEABD-UHFFFAOYSA-N 317.307 2.671 0 50 DFAA O=C(CCc1cnccn1)Nc1ccc(OC2CCCC2)nc1 280217313 JACVVQYMNBFJMQ-UHFFFAOYSA-N 312.373 2.764 0 50 DFAA CO[C@@](C)(c1nc(-c2cn(C)nc2C(F)(F)F)no1)C1CC1 293118671 VAPVBSAKIYGUEK-GFCCVEGCSA-N 316.283 2.761 0 50 DFAA Cn1ncc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1Cl 295629839 PTFKRKPBTWWNAM-UMSPYCQHSA-N 307.756 2.889 0 50 DFAA Cc1ccc(CC(=O)N2CC(C)(C)[C@H]2c2nccn2C)s1 296039565 YJRQHEHHFINCFM-CQSZACIVSA-N 303.431 2.942 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 299744109 QYUVSTIMPWYAQF-CQSZACIVSA-N 317.385 2.945 0 50 DFAA Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)CNC(=O)O2 299770968 STAIPVJJQHUALU-UHFFFAOYSA-N 323.780 2.755 0 50 DFAA O=C1CC[C@@H]2CNCC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 299774667 INBDBPPYFINSAT-OCCSQVGLSA-N 312.335 2.806 0 50 DFAA CN(C[C@H]1CCc2nccn2C1)c1nc2cc(F)ccc2o1 328628764 OBQODJBJEMNWBO-LLVKDONJSA-N 300.337 2.862 0 50 DFAA Cc1c(C(=O)N2C[C@H](F)C[C@H]2CO)[nH]c2c(Cl)cccc12 331430935 GFEPSUUSADSVOE-ZJUUUORDSA-N 310.756 2.675 0 50 DFAA Cc1c(C(=O)N2CCC(c3nccs3)CC2)nnn1C(C)C 331922851 MCZHGHBFKRHCKJ-UHFFFAOYSA-N 319.434 2.644 0 50 DFAA O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 334137401 ZLBBAUJULQCBEF-TWMKSMIVSA-N 313.397 2.856 0 50 DFAA O=C(COC1CCCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337270906 BHZPQXXWZYZJLV-GVDBMIGSSA-N 309.450 2.878 0 50 DFAA O=C(NC[C@H]1CCCN(CCC(F)(F)F)C1)c1ccco1 338382989 OVYAAXVYLKWLMF-LLVKDONJSA-N 304.312 2.674 0 50 DFAA CCn1ccnc1[C@H](NCc1cccnc1C)C1CCOCC1 343403513 PPJHUWPOOPZBBR-QGZVFWFLSA-N 314.433 2.864 0 50 DFAA O=C(C1=COCCC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 365168792 PJOCCRYAMOIGOK-KRWDZBQOSA-N 319.376 2.792 0 50 DFAA O=C(c1cn[nH]c1)N1CC[C@@H]1c1cccc(Br)c1 369657081 SCVISRAYGIFDNS-GFCCVEGCSA-N 306.163 2.759 0 50 DFAA Cn1nnc2cc(C(=O)N3Cc4cccc(Cl)c4C3)ccc21 376299937 IKTYNIMTGBWKEX-UHFFFAOYSA-N 312.760 2.778 0 50 DFAA O=C(NC[C@H](CO)Cc1ccccc1Cl)c1cccc(O)c1 408513941 SOZSQVRRFDLIEU-GFCCVEGCSA-N 319.788 2.627 0 50 DFAA C[C@H](C(=O)N1CC(CO)(c2ccccc2)C1)c1ccccc1F 412772221 JQMZMPQBOPHTDL-AWEZNQCLSA-N 313.372 2.702 0 50 DFAA Cc1ccnc2[nH]c(S[C@@H]3C[C@H]4CCCC[C@H]4NC3=O)nc12 428189005 GVXDMPNJNUEPHZ-IJLUTSLNSA-N 316.430 2.806 0 50 DFAA N#CN(CC(=O)N1CCC(c2ccccc2)=N1)c1ccc(F)cc1 440590517 YMNADBBVRRJFLB-UHFFFAOYSA-N 322.343 2.750 0 50 DFAA CN(c1ccccc1)c1ccc(CN[C@H](CCO)C(F)F)cn1 585118138 DIFDIJXGZYZTEX-OAHLLOKOSA-N 321.371 2.955 0 50 DFAA C[C@H](CC(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1)Cc1cccc(F)c1 585127077 PMLCGUITJMHOMQ-BHYGNILZSA-N 318.436 2.805 0 50 DFAA Cc1nnc(COC2CN([C@H](C)Cc3ccccc3C)C2)o1 643832044 QOVIGULHOBYRBS-CYBMUJFWSA-N 301.390 2.518 0 50 DFAA CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn2c(n1)CCC2 648371538 MRJNXMUKJLNEGH-UHFFFAOYSA-N 307.756 2.894 0 50 DFAA CO[C@H](C(=O)NCc1ccc(C(=O)O)cc1)C1CCCCC1 656475321 RMJWLFKLGIUPJJ-HNNXBMFYSA-N 305.374 2.596 0 50 DFAA O=C(O)[C@@H]1CC12CCN(C(=O)C[C@@H]1CCc3ccccc31)CC2 675950336 KDNSTOWIBDUZIB-HOCLYGCPSA-N 313.397 2.820 0 50 DFAA Cc1conc1Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 871622302 HIFYEZRVUWGRDP-VIFPVBQESA-N 315.398 2.928 0 50 DFAA CC(C)c1nsc(N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)n1 896683134 QGOQEBDXDKKRQQ-SNVBAGLBSA-N 315.464 2.573 0 50 DFAA CNC[C@H]1CCCN(C(=O)c2ccnc3cc(Cl)ccc23)C1 911634506 NSMWZVBOSDCHMX-GFCCVEGCSA-N 317.820 2.960 0 50 DFAA CNC(=O)CCCCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 952887843 BUOOVUIYAPXYOF-QGZVFWFLSA-N 302.418 2.903 0 50 DFAA O=C(c1ccc2c(O)ncnc2c1)N1CC[C@@H](c2ccccc2)C1 1142440316 MPNNPXPDWPSYQR-OAHLLOKOSA-N 319.364 2.965 0 50 DFAA CCc1nccn1C[C@H](C)NCc1cc(OC)ccc1OC 1506425947 HOGTWBYEALNRMJ-ZDUSSCGKSA-N 303.406 2.641 0 50 DFAA Cc1oncc1CNC(=O)Nc1ccc(C(F)(F)F)nc1 1615055563 CSTSAWYYOUBKDQ-UHFFFAOYSA-N 300.240 2.719 0 50 DFAA COc1cccc2c1C1(CCN(c3cnccn3)CC1)OCC2 1704335653 PVHAXWJJVDCNFS-UHFFFAOYSA-N 311.385 2.554 0 50 DFAA C[C@@]12C[C@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1772813721 QKFJZMVSJLIHII-ZBEGNZNMSA-N 307.777 2.522 0 50 DFAA C/C(=C\c1ccc(C)cc1)C(=O)N1CCOC12CCOCC2 1775994489 VGENJQSSAJXIIP-FYWRMAATSA-N 301.386 2.764 0 50 DFAA O=C(O)[C@@H]1N(C(=O)c2ccc3ncccc3c2)CC12CCCC2 1875271006 GAWJLWSUWJDVKB-HNNXBMFYSA-N 310.353 2.704 0 50 DFAA COc1ccc(-c2cc(N[C@@H]3CN4CCC3CC4)ncn2)cc1 1875275944 SFDDZOWWRRWCLP-QGZVFWFLSA-N 310.401 2.658 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC3(CCCO3)CC2)c(Cl)c1 1875277580 RXDRUUQMLFHTFU-UHFFFAOYSA-N 323.776 2.823 0 50 DFAA Cc1cnc(N=c2nc(-c3ccccc3)s[nH]2)nc1N(C)C 2100543592 VTVZFODYYXWSGT-UHFFFAOYSA-N 312.402 2.535 0 50 DFAA O=C(Nc1c(O)cccc1Cl)c1coc(C2CCNCC2)n1 2325795968 ISUXIBKQFMUUMI-UHFFFAOYSA-N 321.764 2.753 0 50 DFAA CN1CCC[C@]2(CCCN2C(=O)Nc2cc(F)ccc2F)C1=O 2356164466 UGDLQJQJDUWWME-INIZCTEOSA-N 323.343 2.584 0 50 DFAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cc2c(cc1Cl)OCO2 2356168105 PUMDFMRMUZBUNX-ITGUQSILSA-N 309.793 2.947 0 50 DFAA CN(C[C@@H](O)COCc1ccc2c(c1)OCO2)C1CCCCC1 195620 NVAWRNIJHWLDQR-MRXNPFEDSA-N 321.417 2.557 0 50 DFAA CSc1cccc(NC(=S)NC(=O)c2cccnc2)c1 303629 FDRZWHAHSMZFMU-UHFFFAOYSA-N 303.412 2.930 0 50 DFAA CN[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 133490961 KQVYVCVFVFMDQJ-AWEZNQCLSA-N 301.365 2.506 0 50 DFAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@@H]1CCCO1 4997840 KVUCOUVPFWSUGP-NSHDSACASA-N 323.805 2.900 0 50 DFAA CC(C)n1nnnc1C[S@](=O)CC[C@@H]1C[C@@H](C)C[C@@H](C)C1 246472360 ZVFBJXDNQFLPEG-PBMXDMTDSA-N 312.483 2.965 0 50 DFAA O=C(Cn1cccn1)NCCc1nc(C2CCCCC2)cs1 111095816 LKZKPHHOGIPTHP-UHFFFAOYSA-N 318.446 2.746 0 50 DFAA CCn1ncnc1[C@@H](C)NCc1cc(C)c(OC(C)=O)c(C)c1 55042165 HSPDPVUKVTUTNC-CYBMUJFWSA-N 316.405 2.691 0 50 DFAA C[C@H](c1nnnn1C1CC1)N1CCC[C@@H](Nc2ccccc2)C1 248894780 TVPNCGDIANDBNE-UKRRQHHQSA-N 312.421 2.646 0 50 DFAA Cc1csc(NC(=O)CSCCO[C@@H]2CCCCO2)n1 252500027 SMBSZCRVFSTGGR-GFCCVEGCSA-N 316.448 2.666 0 50 DFAA Cn1ccc([C@@H](NCc2csnn2)c2ccc(Cl)cc2)n1 328587382 KCHDJOBPVMMZPQ-AWEZNQCLSA-N 319.821 2.804 0 50 DFAA O[C@@H](CN1CC(n2cc(-c3ccccc3)nn2)C1)c1ccccc1 253419068 HWYJUUNQSSLBPQ-IBGZPJMESA-N 320.396 2.535 0 50 DFAA CCCCNC(=O)CN(C)C(=O)c1ccc2oc(C)cc2c1 215004959 FVTQXSOQUMVEAG-UHFFFAOYSA-N 302.374 2.730 0 50 DFAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC=C(C)C1 373908801 ZFDFTBOGFHXINY-SFHVURJKSA-N 312.413 2.701 0 50 DFAA Cn1c(CN2CC[C@H](OCc3ccncc3)C2)nc2ccccc21 373912286 NMFFIXXSMLVZSS-INIZCTEOSA-N 322.412 2.759 0 50 DFAA O=C1CC[C@H](Nc2ncc(C(F)(F)F)s2)C2(CCC2)N1 282848952 NNRKTSRGKIAJEJ-ZETCQYMHSA-N 305.325 2.775 0 50 DFAA O=C(NCCN1CCC2(CCCCC2)CC1)c1ccnc(O)c1 241316919 LWBPUPGTWRIIRV-UHFFFAOYSA-N 317.433 2.563 0 50 DFAA Cc1ccc([C@@H]2CN(CCCO[C@H]3CCCCO3)CCO2)o1 241707058 QMGNIXBCYKGHOO-IRXDYDNUSA-N 309.406 2.895 0 50 DFAA c1cc(OC2CCCC2)ccc1CN1CC(N2CCOCC2)C1 215773203 GGLCRAIMZIWKOQ-UHFFFAOYSA-N 316.445 2.524 0 50 DFAA O=S(=O)(c1cccnc1)N1CCC[C@@H]1c1ccc(F)cc1 72132131 VBCZZXJHGOTUSI-OAHLLOKOSA-N 306.362 2.747 0 50 DFAA O=C(CN1CCC[C@@H]1c1ccccn1)N1CCOc2ccccc21 72129717 YRMYAKIXSKVEIU-MRXNPFEDSA-N 323.396 2.644 0 50 DFAA C[C@H]1C[C@H](NC(=O)c2ccc3nc(S)oc3c2)C[C@@H](C)O1 245501208 CAAWSDRWCDOXQF-DOFRTFSJSA-N 306.387 2.802 0 50 DFAA CCn1ccnc1[C@H](Nc1ncc(Cl)cn1)C1CCOCC1 284604823 QDYUGRQERGIGQP-CYBMUJFWSA-N 321.812 2.926 0 50 DFAA COc1ccccc1[C@H]1CC(=O)Nc2c1ncn2-c1cccnc1 40283554 BIPXQAWFTQPUPQ-CQSZACIVSA-N 320.352 2.750 0 50 DFAA 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O=C(C[C@]1(O)C(=O)Nc2c(Cl)cccc21)c1cccs1 1585756 OYBWYYUKJIJNJA-CQSZACIVSA-N 307.758 2.814 0 50 DFAA O=C(C[C@@H]1COCCN1Cc1nccs1)c1cccs1 119590614 JDOXGOYURQREDL-LLVKDONJSA-N 308.428 2.678 0 50 DFAA FC(F)(F)c1nnc2n1Nc1nc3ccccc3nc1S2 97381 KOEVMZQXLZWARX-UHFFFAOYSA-N 310.264 2.580 0 50 DFAA CCc1nc(C)cn1S(=O)(=O)c1cc(OC)c(C)cc1C 356369 ZWUXLPZFMCKBDM-UHFFFAOYSA-N 308.403 2.616 0 50 DFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCC1 384666 HAFZKKVALXQUIJ-UHFFFAOYSA-N 303.811 2.832 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 860101 SINQRTJMWREXJR-HOCLYGCPSA-N 303.402 2.982 0 50 DFAA Cc1ccc(C(=O)NCCCNC(=O)c2ccc(C)cc2)cc1 4610956 IRBXHLUKUBUVPJ-UHFFFAOYSA-N 310.397 2.853 0 50 DFAA CC(C)C[C@H](NC(=O)c1cccc(Br)c1)C(=O)O 4668748 CIPVQEIYIMCCMM-NSHDSACASA-N 314.179 2.678 0 50 DFAA Cc1cccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C)CC2=O)c1 11355061 YNVWVLNQGOGMDB-CABCVRRESA-N 300.402 2.749 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1 13059810 UUQWEXVSLMASAP-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA CCCc1noc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)n1 15076125 IYDXPOCTHLXMMI-CYBMUJFWSA-N 314.389 2.512 0 50 DFAA CCc1c(C)sc(NC(=O)c2c(C)noc2C)c1C(N)=O 16604127 ILFAXRIELQFZCW-UHFFFAOYSA-N 307.375 2.575 0 50 DFAA O=C(Cc1ccc(F)cc1F)Nc1ccc2c(c1)CC(=O)N2 20598510 CQBPBRSOOZPIQZ-UHFFFAOYSA-N 302.280 2.641 0 50 DFAA Cc1ccccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 25971962 NIWPSKVLGFVGLX-UHFFFAOYSA-N 324.424 2.718 0 50 DFAA CCCc1nc(CN(CC)C(=O)c2ccc(C(C)=O)s2)no1 55255691 QYPKNYAXEKSCEZ-UHFFFAOYSA-N 321.402 2.949 0 50 DFAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C)C(=O)C1 67490958 FKFHFEYPEILKQK-UHFFFAOYSA-N 319.792 2.577 0 50 DFAA O=C(C1CCC1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 67588558 IMGZKDQARPQZHZ-UHFFFAOYSA-N 324.380 2.975 0 50 DFAA CCc1nnc(Cn2cc(-c3ccnc4ccccc34)nn2)s1 67804554 XLXCCGIXMQVGQP-UHFFFAOYSA-N 322.397 2.956 0 50 DFAA COCc1c(C(=O)N2CC[C@@H]2c2ccc(F)cc2)noc1C 71755145 QCGDNXDYEQZYDO-CQSZACIVSA-N 304.321 2.856 0 50 DFAA COc1c(C)cnc(CN2CCC[C@H](c3ccn[nH]3)C2)c1C 72301237 XWXRMNAHQJNYSS-AWEZNQCLSA-N 300.406 2.810 0 50 DFAA CCc1cc(NCCn2nc(C)c(CC)c2C)n2nccc2n1 72407015 DLQOAAZXMKLJEG-UHFFFAOYSA-N 312.421 2.780 0 50 DFAA Cc1ccc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)nn1 72422102 ZYVKTHRAPUCSPF-KRWDZBQOSA-N 308.429 2.829 0 50 DFAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cnc(-c2ccncc2)nc1 77386130 LJGXSAZXTACGQP-RCBQFDQVSA-N 308.385 2.847 0 50 DFAA CCCc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)n[nH]1 91587356 REUGNYPEDPCQDS-QGZVFWFLSA-N 314.433 2.703 0 50 DFAA O=C(NC1(C(=O)O)CCCC1)c1ccc([C@H]2CCCO2)s1 95517340 RVVWRRIQRIDLKN-SNVBAGLBSA-N 309.387 2.727 0 50 DFAA CCOC(=O)Cc1ccc(Br)cc1NC(C)=O 95635263 WFQICSIAQMOEGF-UHFFFAOYSA-N 300.152 2.513 0 50 DFAA in-vitro Cc1cc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)no1 101464184 ZUKHTAIFRSERHP-JYXJIEJFSA-N 322.364 2.912 0 50 DFAA Cc1nc(CN2CCOC[C@H]2CC(=O)c2ccco2)cs1 120985791 QFSBRRGWWCPRCW-CYBMUJFWSA-N 306.387 2.518 0 50 DFAA CN(Cc1ccco1)C(=O)c1ccc(-c2nnc(S)o2)cc1 122915433 DQPQUYKXQYLMBM-UHFFFAOYSA-N 315.354 2.891 0 50 DFAA CC(C)N1C[C@H](C(=O)Nc2ccc(-c3cnco3)cc2)CC1=O 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UPELAGVDGUAWDG-QGZVFWFLSA-N 300.358 2.844 0 50 DFAA CC(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(O)n2)n[nH]1 616335288 PZBPITZLBGXPSM-UHFFFAOYSA-N 314.267 2.905 0 50 DFAA CCOc1cncc(CNc2nnc(-c3c[nH]nc3C)s2)c1 622002694 UPRJQZSQWKLPLC-UHFFFAOYSA-N 316.390 2.642 0 50 DFAA C[C@@H]1C[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)CCO1 630328024 DTQUBKFVGLWBNH-UEEZHKSASA-N 303.358 2.628 0 50 DFAA Cc1cc(NC(=O)c2ncoc2C2CC2)nn1[C@H](C)C1CC1 645974783 FCWQOZRDTYQOHD-SNVBAGLBSA-N 300.362 3.280 0 50 DFAA O=C([C@@H]1CCc2nccn2C1)N1CC(c2ccc(Cl)cc2)C1 665557650 KLYXABZKUIOJLI-CYBMUJFWSA-N 315.804 2.725 0 50 DFAA Cc1cc(C)n(CCCN(C)CC[C@@H](O)c2ccccc2)n1 670444959 VGSZXSXRYFHURR-GOSISDBHSA-N 301.434 2.946 0 50 DFAA NC(=O)c1cnc(N2CCC(c3ccccn3)CC2)c(Cl)c1 677151709 ZAWNZCYXFUCSHG-UHFFFAOYSA-N 316.792 2.613 0 50 DFAA CCOc1ccnc(NCC[C@@H]2CCCN3CCCC[C@H]23)n1 823399264 BKJJGTYSQFKYGW-LSDHHAIUSA-N 304.438 2.942 0 50 DFAA COc1ccc(CN(C)C(=O)C[C@H]2CCC3(CCC3)O2)cn1 897153434 FQHUDSPVZJBMRR-CQSZACIVSA-N 304.390 2.540 0 50 DFAA COc1ccc(-c2cnc(CN3CCC[C@]34CCNC4)o2)cc1 903863260 ATJHRFZFTMOMAI-GOSISDBHSA-N 313.401 2.678 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)c1ccc(CN2CCCC2)o1 952971353 ISOSTORKIDCSTN-UHFFFAOYSA-N 317.389 2.752 0 50 DFAA O=c1c2c(Cl)cccc2ncn1Cc1nc2c(o1)CCCC2 1190299613 ICUGWYKFSFAQAC-UHFFFAOYSA-N 315.760 2.965 0 50 DFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(Cl)o1 1565528555 LCGZADFOTAMOJC-AAEUAGOBSA-N 313.781 2.803 0 50 DFAA Cc1cc(C)cc(CC(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1 1616075041 FIRXUBHBXTYVBJ-OALUTQOASA-N 324.424 2.615 0 50 DFAA O=C(Nc1n[nH]c(C2CCCC2)n1)c1cc2ccccc2c(=O)o1 1775987480 FZSAKTLYTGWDIN-UHFFFAOYSA-N 324.340 2.821 0 50 DFAA COc1ccc2oc(N3CCC[C@H](CC(=O)N(C)C)C3)nc2c1 1857701042 OGTFVZGDKWWELD-GFCCVEGCSA-N 317.389 2.531 0 50 DFAA COc1cc(-c2nccn2CC[C@H]2CCOC2)cc(OC)c1O 1857720831 MQRIBSJJTLJLEK-LBPRGKRZSA-N 318.373 2.700 0 50 DFAA CO[C@H](CNC(=O)c1ccn2nccc2c1)c1cccs1 1857733413 JQULFVKNRLYLKH-CYBMUJFWSA-N 301.371 2.513 0 50 DFAA CCc1cnc(NS(=O)(=O)c2cccc(OC(F)F)c2)o1 1875280157 XHSKCBCLKMMXID-UHFFFAOYSA-N 318.301 2.639 0 50 DFAA Cc1ccnc(NC2CCN(c3nc4ccccc4[nH]3)CC2)n1 1875287808 AEMXUXUIRRQGQA-UHFFFAOYSA-N 308.389 2.742 0 50 DFAA CCc1cc(C(=O)N2CCS[C@@H]2c2ccco2)cc(O)n1 1875307528 PLHQXFDRGLRQFC-OAHLLOKOSA-N 304.371 2.830 0 50 DFAA CC(C)(C(=O)N1CCC=C(c2cccc(O)c2)C1)c1cncnc1 1875312609 GMRQPRWKJAXXOB-UHFFFAOYSA-N 323.396 2.776 0 50 DFAA C[C@H](CCc1ccccc1F)NC(=O)[C@@H]1CC(C2CC2)=NO1 1875327611 BOGJWUOEFNQMJC-BZNIZROVSA-N 304.365 2.818 0 50 DFAA Fc1ccc(Cc2nnnn2Cc2ccc(F)cc2F)c(F)c1 1875344018 BQFZAXCKTAEMMN-UHFFFAOYSA-N 322.265 2.869 0 50 DFAA CCc1occc1C(=O)N1CCC[C@@]12CCC[S@@](=N)(=O)C2 1875395935 QFDCXRKLUQFTAC-YCRPNKLZSA-N 310.419 2.657 0 50 DFAA C[C@]1(CC(=O)NCc2ccccc2Cn2cccn2)CCCO1 2325776273 IZLCXYULPAQWJJ-GOSISDBHSA-N 313.401 2.507 0 50 DFAA CP(C)(=O)[C@@H]1CCCN(C(=O)c2cnc(N)c(Cl)c2)C1 2325776685 LFKLRSQWVSOJJN-SNVBAGLBSA-N 315.741 2.545 0 50 DFAA C[C@@H]1C[C@@]2(C(=O)N3CCC(Cc4occc4C(=O)O)CC3)C[C@@H]12 2325780021 AWFKLTYWZOMHRS-CDNVCLAFSA-N 317.385 2.805 0 50 DFAA COc1cccc(-c2nc3ccccc3c(=NC[C@H](C)CO)[nH]2)c1 2325821365 IXDZHVRDOWFPKD-ZDUSSCGKSA-N 323.396 2.768 0 50 DFAA Cc1cc(C)cc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 45205 WYGVFFWXMZQSIF-ZDUSSCGKSA-N 323.348 2.894 0 50 DFAA Cc1cc(O[C@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 134419 OSMQHNUQCQAYSP-SNVBAGLBSA-N 302.326 2.832 0 50 DFAA O=C(O)c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1 238795 FQPJEHGWNHWHAY-UHFFFAOYSA-N 301.685 2.839 0 50 DFAA COc1ccc(CCNC(=O)c2ccc(F)cc2F)cc1OC 3426929 KNPBZJMGKCVNFX-UHFFFAOYSA-N 321.323 2.955 0 50 DFAA COc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)O)cc1 4662387 CULZEHIRIGTMKD-UHFFFAOYSA-N 319.744 2.977 0 50 DFAA Cc1ccc(NC(=O)c2ncccc2Br)c(O)n1 225424365 YDKCGNATOZOAHO-UHFFFAOYSA-N 308.135 2.505 0 50 DFAA O=C(C[C@@H]1COCCN1C(=O)C1[C@@H]2CCC[C@@H]12)c1ccccc1 246115771 RAPVOFSNQVHPDZ-BZUAXINKSA-N 313.397 2.533 0 50 DFAA CCn1ncnc1[C@H](C)NCc1cnc(-c2cccc(C)c2)nc1 55327959 DLDFRTJCURZQMG-AWEZNQCLSA-N 322.416 2.914 0 50 DFAA CCc1nccn1CCC(=O)N(CCOC)Cc1cccs1 55183118 ZUMIZNIIZUXSSZ-UHFFFAOYSA-N 321.446 2.572 0 50 DFAA Cc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621270 WXIGPQBAUPTCDK-UHFFFAOYSA-N 320.348 2.824 0 50 DFAA C[C@H](CCCC(C)(C)O)Cc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 55100510 VIEZJPUIYSOMJQ-SNVBAGLBSA-N 316.405 2.852 0 50 DFAA Cc1nc2ccccn2c1CN[C@@H]1CCO[C@]2(CCSC2)C1 344999162 QQCQNFQCTOJPOD-RHSMWYFYSA-N 317.458 2.787 0 50 DFAA COC(=O)N1N(C(=O)OC)[C@@]2(C)C(C)=C(C)[C@@]1(C)C(=O)C2(C)C 100806993 TWWILAZVEPTKMR-HOTGVXAUSA-N 324.377 2.515 0 50 DFAA OCCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 22585279 AMSDNFIZMJCGQZ-UHFFFAOYSA-N 312.413 2.589 0 50 DFAA Cc1nc(C2CCNCC2)cc(N(C)Cc2ccsc2)n1 67655045 ZZRBSIJJKNZQJE-UHFFFAOYSA-N 302.447 2.950 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 331795127 UCOADYXLNUDMLR-JSGCOSHPSA-N 304.390 2.595 0 50 DFAA CC1(C)C[C@@H]1C(=O)N1CCC(c2nnc(S)n2C2CC2)CC1 126204493 HHPPMDUICIAWRY-GFCCVEGCSA-N 320.462 2.654 0 50 DFAA C[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@]2(CCCOC2)O1 253432301 XSZNMWMQTDMEDU-SMDDNHRTSA-N 316.323 2.875 0 50 DFAA C[C@]12CCC(=O)C[C@@H]1[C@@H](O)C[C@@H]1[C@H]2[C@H](O)C[C@@]2(C)CCC[C@H]12 36370707 NRRGYVQICKWYRF-QULXSNHESA-N 306.446 2.930 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 124356115 SYXKVXUDXDGPMA-LERXQTSPSA-N 312.335 2.629 0 50 DFAA CN(CCN1CCCCC1=O)Cc1ccc2cc(O)ccc2c1 215777610 XITOPAWEVUEDGH-UHFFFAOYSA-N 312.413 2.990 0 50 DFAA COc1cncc(C(=O)N(C)[C@H](C)c2c(F)cccc2F)n1 358015283 FRBRUYSYNYOQLV-SECBINFHSA-N 307.300 2.597 0 50 DFAA O=C1CCCN1C1CCN(CCc2c[nH]c3ccccc23)CC1 71750735 VFHUFZHEYZFHNV-UHFFFAOYSA-N 311.429 2.797 0 50 DFAA CCCCC1CCC(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)CC1 360268016 YYISLRLQFSSZIZ-PCKAHOCUSA-N 323.481 2.890 0 50 DFAA Cn1cc(C[C@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)cn1 363582816 LEQGNXMFQJHGBA-CQSZACIVSA-N 309.413 2.614 0 50 DFAA CN1C[C@@H](C(=O)N(C)Cc2ccccc2)c2ccccc2C1=O 365812519 FCHPYNQDDMNIQJ-QGZVFWFLSA-N 308.381 2.514 0 50 DFAA CC(=O)Nc1ccc(-c2nccn2C[C@H]2CCCCN2C)cc1 71747914 DHTFOOIBPQXPLP-QGZVFWFLSA-N 312.417 2.993 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)CC1 72135558 PKYOIJLKWOHRMY-ZDUSSCGKSA-N 310.825 2.531 0 50 DFAA C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCCCC1 32594188 MSDYODBOQNSCDM-CQSZACIVSA-N 313.401 2.946 0 50 DFAA O=C(N[C@H]1CC[C@@H](c2ccccc2F)C1)c1cccc(O)n1 367343272 MNRAKPFUKRBJRY-NEPJUHHUSA-N 300.333 2.992 0 50 DFAA CCN(C)C(=O)CCN1CCC(COc2ccccc2)CC1 130207614 VSDRSSCGDIBKLJ-UHFFFAOYSA-N 304.434 2.646 0 50 DFAA Cc1nc(CCCNC(=O)[C@@H](O)c2ccc(F)cc2)sc1C 218977708 LUUNEQJQMDQKPJ-HNNXBMFYSA-N 322.405 2.681 0 50 DFAA CCCn1nnnc1CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 239667660 BRCDJXRTSQKGDR-DOMZBBRYSA-N 315.421 2.964 0 50 DFAA C[C@H](CN1CCN(C)CC1)Nc1ccnc2c(Cl)cccc12 287491545 UEAMBDBJVHXMIN-CYBMUJFWSA-N 318.852 2.936 0 50 DFAA CCN(Cc1noc(C)n1)C(=O)c1ccc([C@H]2CCCN2)s1 82039452 VHLCHECNFWVHCS-LLVKDONJSA-N 320.418 2.526 0 50 DFAA CC(C)(C)OC(=O)N1CCC(c2noc(-c3cc[nH]n3)n2)CC1 221638224 XQFBGUPACRLPSM-UHFFFAOYSA-N 319.365 2.574 0 50 DFAA COc1cccc(SCC(=O)N2CCCC[C@H](N(C)C)C2)c1 82137698 RWZGOGUXEZBVRN-AWEZNQCLSA-N 322.474 2.730 0 50 DFAA O=C(Nc1cccc2c1CCC2)N1CCC[C@H](c2nc[nH]n2)C1 95531707 IYBFXNVXILHSEH-ZDUSSCGKSA-N 311.389 2.705 0 50 DFAA C[C@H]1CN(C2CCN(c3ncccc3Cl)CC2)C[C@@H](C)O1 95385321 SWNKMGIAYUEHDF-BETUJISGSA-N 309.841 2.813 0 50 DFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)C2CCC(CO)CC2)C1 91548005 IXQLETVXJKXQGB-TVPLGVNVSA-N 323.477 2.743 0 50 DFAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 91486833 YSUNBGCQWLLOIU-LBPRGKRZSA-N 307.357 2.700 0 50 DFAA COCCCN(C)C(=O)CSc1cn(C)c2ccccc12 426642869 HFRIHTPMPJFQNR-UHFFFAOYSA-N 306.431 2.765 0 50 DFAA Cc1csc(CN(C)C(=O)[C@H]2COc3ccccc3C2)n1 95500634 QTDGAAYCNFTTGD-CYBMUJFWSA-N 302.399 2.661 0 50 DFAA CNc1nc(C(=O)NC[C@H]2CCOc3ccccc3C2)cs1 95371625 NYQGOTCFJYEAAH-NSHDSACASA-N 317.414 2.556 0 50 DFAA COc1nc(C)cc(C)c1CNc1ncc(C(C)=O)c(C)n1 95358843 RXDMWPGKYLDGFC-UHFFFAOYSA-N 300.362 2.620 0 50 DFAA CCCOc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cc1Cl 91859681 SWCDKMWPRICXTO-HIFRSBDPSA-N 322.836 2.938 0 50 DFAA CC(C)(CN[C@@H]1CCCS(=O)(=O)C1)c1ccccc1Cl 182797617 NVKQMIQDMXSNDU-GFCCVEGCSA-N 315.866 2.784 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCc3cnccc31)CC2 299751891 SFQYICMGAOCKEA-GFCCVEGCSA-N 310.401 2.622 0 50 DFAA Cc1cccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)c1 823765970 KAQVRYSDLUJMIY-UHFFFAOYSA-N 313.430 2.970 0 50 DFAA CCOc1ccc(OCc2nc([C@@H]3CCCN(C)C3)n[nH]2)cc1 584888451 BZUPZAVMQZEDRW-CYBMUJFWSA-N 316.405 2.592 0 50 DFAA O=C(O)C1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 268924550 DACQROGYFOGPEB-UHGWMABZSA-N 323.339 2.828 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 1875369600 XWAPDNPIGVHJFW-CYBMUJFWSA-N 318.392 2.736 0 50 DFAA c1cc(-c2nnc3n2CCCC3)ccc1OC[C@H]1C[N@@]1CC1CC1 1875385233 PAMQHUBWCFAHAN-OPAMFIHVSA-N 324.428 2.754 0 50 DFAA C=CC(=O)N[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875368839 RVGFYLMKDRUWIM-JSGCOSHPSA-N 308.422 2.762 0 50 DFAA OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2cccnc12 1875362287 YVSYFIIHKONWKW-CYBMUJFWSA-N 319.368 2.522 0 50 DFAA 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Cc1ccccc1CCC(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529152227 QFVPZSLXLXMCOE-USTZCAOPSA-N 301.430 2.936 0 50 DFAA COc1c(C)cc(C)cc1S(=O)(=O)Nc1c(C)noc1C 330406037 IADZIRPPYMIYMF-UHFFFAOYSA-N 310.375 2.718 0 50 DFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1[nH]nc2ncccc12 1772807278 LSTPTIQHHDLAHT-MRXNPFEDSA-N 304.353 2.678 0 50 DFAA Cn1cc(-c2cccc(CNc3ncnc(N)c3Cl)c2)cn1 225483622 CSKGGNFJTDPQCU-UHFFFAOYSA-N 314.780 2.725 0 50 DFAA CCn1nc(C)c(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)c1C 617834657 XWTGBIMZNZDSLI-UHFFFAOYSA-N 324.384 2.543 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CCC[C@@H](OC3CCC3)C2)c1 634692470 BOXQYLWCVVOBLD-IAGOWNOFSA-N 319.401 2.854 0 50 DFAA Cn1cc(Cl)cc1C(=O)N[C@H](CC(=O)O)c1cccs1 642226949 DWBGJHJGSCUYKM-SECBINFHSA-N 312.778 2.686 0 50 DFAA Cc1ccc(CC2CN(C(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)C2)cc1 665142123 HVIZJQHQLKPIMO-VKJFTORMSA-N 316.445 2.992 0 50 DFAA CCOC1CC(CCNC(=O)N2CCOc3ccccc3C2)C1 253428448 ISPSJPGSDLSJKI-UHFFFAOYSA-N 318.417 2.796 0 50 DFAA Cc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(F)c1F 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DFAA Cn1nnc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc21 618557 NUBNNRCOFYVYFP-OAHLLOKOSA-N 306.369 2.598 0 50 DFAA CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1OC 2992811 OAVLBPFVCBIOOJ-ZDUSSCGKSA-N 306.406 2.966 0 50 DFAA Cc1cc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c2c(C)nn(C)c2n1 101692306 RAQVIUUFCDNNRB-MELADBBJSA-N 310.401 2.527 0 50 DFAA CC[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1cc(C)ccn1 67673365 HYVGGTRIJUAGEM-CQSZACIVSA-N 312.369 2.929 0 50 DFAA NC(=O)C[C@H]1CCCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 119963022 ZJLNRJZLAULYLT-LZUXJJCOSA-N 318.461 2.849 0 50 DFAA CCN1CCC[C@]2(CCCN(c3cc(C)nc4ccnn34)C2)C1 72453553 FEXBTQNEWSJXIY-SFHVURJKSA-N 313.449 2.740 0 50 DFAA Cc1cccc(C)c1CCNc1nnc(Cl)cc1C(N)=O 153799119 UJMQXKCVAHWCOX-UHFFFAOYSA-N 304.781 2.500 0 50 DFAA CCc1ncnc(N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1F 281567103 CIMSXGWJSXPNNB-TZMCWYRMSA-N 305.328 2.630 0 50 DFAA COc1cccc([C@H]2CCN2CCC(=O)NCc2ccco2)c1 65376061 KOUIICQYTHNGNB-QGZVFWFLSA-N 314.385 2.742 0 50 DFAA C[C@H](NC(=O)c1ccn(C2CCCC2)n1)c1nnc2ccccn12 125050517 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Cc1onc(-c2cccnc2)c1C(=O)N1CCSC[C@@H](C)C1 376143684 UINBBKDTOALQAP-NSHDSACASA-N 317.414 2.870 0 50 DFAA CC[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ncc(C)[nH]1 426368265 JJQCTTMFTXVHGA-HNNXBMFYSA-N 300.406 2.661 0 50 DFAA CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1 48016477 RNENNIIGKWIJDK-UHFFFAOYSA-N 304.390 2.946 0 50 DFAA Cc1ccncc1NC(=O)[C@H](CC(C)C)N1CCCCC1=O 132994763 XGJKYAJNFPNMAH-HNNXBMFYSA-N 303.406 2.756 0 50 DFAA Cc1ccccc1[C@]12C[C@H](C(=O)O1)N(C(=O)OC(C)(C)C)C2 44127137 AQTDEXJSLDUKGN-CXAGYDPISA-N 303.358 2.757 0 50 DFAA O=C(NC[C@@H]1CCCO1)c1ccc2nc(-c3ccccc3)cn2c1 82092954 UIOZPBBGYIKSDO-INIZCTEOSA-N 321.380 2.910 0 50 DFAA Cc1nn(C(F)F)cc1-c1ccc(S(=O)(=O)N(C)C)cc1 426498553 MMOURWIEHYIYEW-UHFFFAOYSA-N 315.345 2.504 0 50 DFAA CCSCCNC(=O)c1ccc(-c2ncccc2O)cc1 426444884 HSRQERJUHOMZML-UHFFFAOYSA-N 302.399 2.937 0 50 DFAA Cc1ccc(NCCCNC(=O)[C@H](C)c2ccc(O)cc2)nc1 223024694 FPNHCLHZXJUFPF-CQSZACIVSA-N 313.401 2.818 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)c2ccccc2-c2nc[nH]n2)c1 97468208 SCUXUONOMDATKV-UHFFFAOYSA-N 321.384 2.756 0 50 DFAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cccc(SC)c1 95519952 IRFRRVGWBVFYNG-GJZGRUSLSA-N 323.462 2.638 0 50 DFAA Cc1ccc(CCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)o1 91492889 BIFYRZTUFPNZHX-AWEZNQCLSA-N 316.332 2.512 0 50 DFAA Cc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)sc1C 95522567 WFBUQJPGPJKSQI-AWEZNQCLSA-N 316.426 2.670 0 50 DFAA CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](OC)C2)CCO1 181964355 IXFLIMNDCQZLQS-JYJNAYRXSA-N 312.454 2.791 0 50 DFAA COc1cccc(C(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)c1 297144140 VBWSEWDVAWPBKF-WBVHZDCISA-N 312.369 2.740 0 50 DFAA COCCN1C[C@@H](Cc2ccnc3c(C)c(C)ccc23)CC1=O 244707983 KLIHDBNIXJFJNM-HNNXBMFYSA-N 312.413 2.889 0 50 DFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@H](Cn2cncn2)C1 184105495 KEMSYJWXOPDGJV-AWEZNQCLSA-N 324.384 2.885 0 50 DFAA Cc1nn(C)cc1CCc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299751804 RWESVMKJURCNFT-ZFWWWQNUSA-N 318.421 2.815 0 50 DFAA CCc1ncc(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)s1 299745267 XIFDLJGZZRDMJC-SWLSCSKDSA-N 317.414 2.751 0 50 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CCc1csc(CC2CCN(CC3(C(=O)O)CC3)CC2)n1 656190834 GRSVUEZANOTSQZ-UHFFFAOYSA-N 308.447 2.825 0 50 DFAA Cc1[nH]nc2ncc(NC(=O)C3(C(=O)O)CCCCCC3)cc12 663041943 PWANCSHDTIEJIV-UHFFFAOYSA-N 316.361 2.630 0 50 DFAA COc1cc(C)c(CN2CCC(CCC(=O)O)CC2)c(C)n1 665343562 NCHAHTBXTJPBNA-UHFFFAOYSA-N 306.406 2.784 0 50 DFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)c1cnc2ccccc2n1 1506408901 NGGBJWCNRBCPCD-CQSZACIVSA-N 324.428 2.857 0 50 DFAA CSc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1C 110681639 VSVSRTNAVJSZEC-MGPQQGTHSA-N 306.431 2.836 0 50 DFAA COc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1 5675808 DMFLTTACKCNUNC-UHFFFAOYSA-N 302.418 2.530 0 50 DFAA c1cncc(-c2ncc3c(n2)CCC[C@H]3NC2CCOCC2)c1 12209119 LYTXFLGPHVLDJJ-MRXNPFEDSA-N 310.401 2.685 0 50 DFAA COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccccc2)c1 12383667 SEMDAAMACFOALU-CYBMUJFWSA-N 315.369 2.960 0 50 DFAA O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)C1CCCC1 12711162 GONIVZILCSCEAU-QGZVFWFLSA-N 314.429 2.527 0 50 DFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 13945966 FJTIQPBORINOLJ-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA CCN(C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 14969372 PCHZLYRJOBXIMT-IBGZPJMESA-N 318.461 2.615 0 50 DFAA CC[C@@H](C)[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 206416386 ZOTPKDADJQXKAP-MEBBXXQBSA-N 322.792 2.910 0 50 DFAA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc2c(c1)OCO2 4588823 YONXLHMYTUOZLD-QPEQYQDCSA-N 311.268 2.899 0 50 DFAA Cc1nc([C@@H]2CCn3ncnc3C2)n(-c2ccc(Cl)cc2)n1 1857670451 OATULMUSEBEOJE-LLVKDONJSA-N 314.780 2.551 0 50 DFAA COc1cc(F)cc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)c1 128403029 ZKOAZBWDEFBFEN-INIZCTEOSA-N 314.316 2.966 0 50 DFAA C[C@H]1CCCN(C(=O)CCNc2nccc(C(C)(C)C)n2)C1 1647637007 URWATNVXGPIFSF-ZDUSSCGKSA-N 304.438 2.835 0 50 DFAA O=C1[C@H]2CCCCN2C(=O)N1c1ccccc1Br 225559002 AAXACVZYOYBPDT-LLVKDONJSA-N 309.163 2.770 0 50 DFAA COc1ccc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)cc1 101126 AUQRKCJHEAFNAS-CQSZACIVSA-N 314.316 2.578 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cccc21)c1cccs1 4784152 OYBWYYUKJIJNJA-AWEZNQCLSA-N 307.758 2.814 0 50 DFAA CC(C)(C)[C@@H](NC(=O)N1C[C@H](O)CC2(CCC2)C1)C(F)(F)F 2325769477 HZQFAEQSDIHMLT-GHMZBOCLSA-N 322.371 2.910 0 50 DFAA Cc1cccc([C@@H](CN(C)C)NC(=O)c2ccc3cncn3c2)c1 2325770131 HUCKTDPUZCVXPS-GOSISDBHSA-N 322.412 2.675 0 50 DFAA O=C(Nc1cnc2c(c1)CNCC2)c1cc(Cl)nc(Cl)c1 2325883310 UIECGKBPQRBSCT-UHFFFAOYSA-N 323.183 2.681 0 50 DFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc2ccccc2s1 475376 SIZYDADBBWKEHI-NXEZZACHSA-N 302.355 2.902 0 50 DFAA COc1ccc(-c2noc(CCC(=O)N3CCCCC3)n2)cc1 2423356 ODSYZVWQYJLMAW-UHFFFAOYSA-N 315.373 2.690 0 50 DFAA O=C([C@@H]1CCCOC1)N1CCC2(CC1)OCCc1sccc12 2356136583 ACQZCZLFIFTVKH-CYBMUJFWSA-N 321.442 2.565 0 50 DFAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cnc[nH]3)C2=O)cc1 2356164181 IMQXKAMRJPBAMB-LJQANCHMSA-N 324.428 2.880 0 50 DFAA Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](O)C(C)C)cc2)co1 55327520 ZXQQCEQELHXVBD-OAHLLOKOSA-N 316.357 2.796 0 50 DFAA Cc1noc([C@@H]2CCN(Cc3cc4ccccc4nc3O)C2)n1 344830274 ODMZMAJHLZMMOX-CYBMUJFWSA-N 310.357 2.621 0 50 DFAA COc1ccc(-c2nc(CN3CC[C@@H](N)C3)c(C)o2)c(C)c1C 67696703 OCUNSMGYRRPFSZ-CQSZACIVSA-N 315.417 2.808 0 50 DFAA Cc1nc([C@H]2CCCN(Cc3sccc3C)C2)cc(=O)[nH]1 63855505 XIFMYSQUPGFIFX-ZDUSSCGKSA-N 303.431 2.828 0 50 DFAA CC(C)OCc1ccc(C(=O)Nc2ccc3nncn3c2)cc1 347552921 HBFIHQZNNYRRSQ-UHFFFAOYSA-N 310.357 2.907 0 50 DFAA CN(c1cccc(C(=O)NC2CCCCCC2)c1)S(C)(=O)=O 67629697 VICUEIDVEWZLPD-UHFFFAOYSA-N 324.446 2.535 0 50 DFAA Cc1nc(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)cs1 65433213 LUSFIMLTIFWQEW-LLVKDONJSA-N 320.418 2.978 0 50 DFAA CC(C)Cc1cc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)on1 65418685 SAOQIHFQIVFREM-SFHVURJKSA-N 314.385 2.607 0 50 DFAA C[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](N2CCNC2=O)C1 229165544 OXPAIYYOXDYJRY-WCQYABFASA-N 309.360 2.515 0 50 DFAA COCc1c(C(=O)N[C@@]2(C)CCCOC2)oc2ccccc12 332255728 UYEWLPWMCIPZMG-KRWDZBQOSA-N 303.358 2.878 0 50 DFAA Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 252505830 NPLAYMCVKTXJCK-FVQBIDKESA-N 306.406 2.544 0 50 DFAA CCCn1ncc2c1NC(=O)C[C@@H]2c1cccc(-n2cccn2)c1 65370193 OFLPBBGSVMQDLA-OAHLLOKOSA-N 321.384 2.953 0 50 DFAA CCc1csc(CNC(=O)[C@H](C)n2cnc3ccccc32)n1 65372895 GWROZVZQHFPBQO-NSHDSACASA-N 314.414 2.933 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)no1 215333283 XHZBGRUTZVEWER-LBPRGKRZSA-N 302.378 2.551 0 50 DFAA CN(C)c1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72421534 QPENXEIVWKHPPA-UHFFFAOYSA-N 316.836 2.866 0 50 DFAA Cc1cc(F)ccc1CN1CCC(CO)(CN2CCCC2)CC1 219882831 NNKJKTCRSWFCAB-UHFFFAOYSA-N 320.452 2.804 0 50 DFAA COc1ccc(S(=O)(=O)N[C@H](C)c2cccc(OC)c2)cc1 14220510 OALNISHWBJWCRK-GFCCVEGCSA-N 321.398 2.743 0 50 DFAA NC(=O)CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 72156079 ALMLXPIKPNFSOJ-GFCCVEGCSA-N 314.351 2.835 0 50 DFAA CCc1nc(NC[C@H](C)N(C)c2ccccc2)c2cnn(C)c2n1 72170410 FAFYYTQAMVZLJN-ZDUSSCGKSA-N 324.432 2.863 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)OCc2ccn(C)n2)o1 378556359 WDHPOTKISGLSEC-SAXRGWBVSA-N 300.358 2.983 0 50 DFAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1Br 241383162 MSXRNEQVZUVWTQ-UVLXDEKHSA-N 324.218 2.846 0 50 DFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1c1ccc(Cl)cc1 241738586 QYTKXMVJTPIYIM-SAXRGWBVSA-N 307.777 2.813 0 50 DFAA Cc1csc(CNC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1 455316699 DMPDHCUSCQKZBQ-GFCCVEGCSA-N 320.418 2.837 0 50 DFAA Cc1csc(N2CCN(C(=O)c3ccccc3)C[C@@H]2C)n1 605685408 VKYGQTNZHSELNO-ZDUSSCGKSA-N 301.415 2.802 0 50 DFAA Cc1c[nH]nc1CN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 290456148 PBHRHNAIBARFTA-CQSZACIVSA-N 301.365 2.952 0 50 DFAA CCOc1ccccc1[C@H](C)NC(=O)c1cc(C(=O)O)co1 263534502 NXPFMSBKRRSHHR-JTQLQIEISA-N 303.314 2.868 0 50 DFAA CCCOc1ccc(CNC(=O)N[C@H](C)C(F)(F)F)cn1 287442021 ATMHCGFNNJNNSR-SECBINFHSA-N 305.300 2.620 0 50 DFAA CO[C@@H]1CN(C(=O)CSCc2ccc(F)cc2)CC[C@@H]1C 615282105 WPWJJXQUPNQTJN-SWLSCSKDSA-N 311.422 2.942 0 50 DFAA COc1ccc(-c2nc(C)nc3c2cnn3C)c(-n2cccn2)c1 426691112 BBTFMZHCKKJUBC-UHFFFAOYSA-N 320.356 2.533 0 50 DFAA Cc1c(C(=O)N2CC[C@H](C(=O)O)C2)sc2ccc(F)cc12 237766092 XUOZVWKXKKOXIW-VIFPVBQESA-N 307.346 2.896 0 50 DFAA Cc1ccc(Nc2nnc(S[C@@H]3CCNC3=O)s2)cc1C 179005416 NKYFFMLTJUYUNS-LLVKDONJSA-N 320.443 2.879 0 50 DFAA CCn1ccnc1CN(C)C(=O)c1conc1-c1ccccc1 426484414 HOLZVTKJQCUJAJ-UHFFFAOYSA-N 310.357 2.830 0 50 DFAA CO[C@@H]1Cc2ccccc2N(Cc2n[nH]c(C(C)(C)C)n2)C1 292840313 FFEYFCOVANYXEC-CYBMUJFWSA-N 300.406 2.680 0 50 DFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1[C@H]2CC[C@@H]1CCNC2 97425235 QQRDWAAVSPCJIN-KGLIPLIRSA-N 315.392 2.511 0 50 DFAA COC(=O)c1cccc(NC(=O)N(C)C[C@H]2CCCCO2)c1 95506111 ZQGAUWOPXNRTNQ-CQSZACIVSA-N 306.362 2.506 0 50 DFAA NC(=O)c1cccc(C[C@H]2CCN(C3Cc4ccccc4C3)C2)c1 91325610 FAXYXMBVAXHEGZ-MRXNPFEDSA-N 320.436 2.817 0 50 DFAA CN1CCCCC[C@H]1C(=O)NC1(c2cc(F)ccc2F)CC1 97475034 AFPHZMNBSZKMNI-HNNXBMFYSA-N 308.372 2.945 0 50 DFAA CC(C)(CN[C@@H]1CCCS(=O)(=O)C1)c1cccc(Cl)c1 182682568 KDXXYTZGJASONI-CQSZACIVSA-N 315.866 2.784 0 50 DFAA CC(C)C(=O)Nc1cccc(C(=O)N(C)CC(F)(F)F)c1 952967801 DMEJEFNHVJQGHE-UHFFFAOYSA-N 302.296 2.915 0 50 DFAA O=S(=O)(Cc1ccccc1C1OCCO1)c1ccccc1 44076074 ANNWDOBNPSVXNI-UHFFFAOYSA-N 304.367 2.706 0 50 DFAA in-vitro Cc1ccc(CN2C[C@H]3c4ccccc4OC[C@@]3(C(=O)O)C2)o1 1565511073 QJDHCFSDEIYFKJ-YJBOKZPZSA-N 313.353 2.651 0 50 DFAA CO[C@H](C)C(=O)Nc1c(N2CCCC2)cccc1N1CCCC1 110274191 UYUJNMMVDYUNTH-CQSZACIVSA-N 317.433 2.860 0 50 DFAA COc1ccc(CN2CCC(c3nc(N(C)C)no3)CC2)cc1 170601643 HXRQNLKXCNPCNA-UHFFFAOYSA-N 316.405 2.524 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)nn1 279807271 ZKCOOVXAWHHYGC-AWEZNQCLSA-N 311.385 2.732 0 50 DFAA Cc1nonc1CN=[S@@](=O)(c1ccccc1)C(F)(F)F 585097967 DJEFPPOGPWRKKF-HXUWFJFHSA-N 305.281 2.925 0 50 DFAA CC[C@H](O)[C@H](C)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 585121267 KNOASOWEDUYCSP-RYRKJORJSA-N 318.461 2.516 0 50 DFAA Cc1noc2ncnc(N3CC=C(c4ccc(O)cc4)CC3)c12 195506847 JKQFHZVHNXCLKQ-UHFFFAOYSA-N 308.341 2.926 0 50 DFAA Cc1ccccc1-n1cc(COC2CCC(CO)CC2)nn1 656452815 YOIUVSMDOUPEBG-UHFFFAOYSA-N 301.390 2.643 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1C)C2 1704337455 ZRGLQNHIWCKMSN-SJORKVTESA-N 323.458 2.965 0 50 DFAA Cc1cccc(CCN2CCC(c3ccn(C)c(=O)c3)CC2)n1 1772810940 REQHPHAAFQMRJK-UHFFFAOYSA-N 311.429 2.511 0 50 DFAA Cc1nc2c(-c3ccccc3)cnn2c(N2CCN(C)CC2)c1C 5482885 WMQKFBBPKOPQJU-UHFFFAOYSA-N 321.428 2.765 0 50 DFAA O=C(CC1c2ccccc2CCc2ccccc21)NCCCO 11996735 WOGVCVZHWYBQDS-UHFFFAOYSA-N 309.409 2.806 0 50 DFAA COCCC(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 15074024 VGYIATKKXXUKSX-ZDUSSCGKSA-N 319.449 2.940 0 50 DFAA O=C(NCCCN1CCOCC1)Nc1cccc2ccccc12 19300445 PVEOLIMDGZFFJW-UHFFFAOYSA-N 313.401 2.684 0 50 DFAA OC[C@]12COCC[C@H]1CN(Cc1cc(C3CCCCC3)no1)C2 1857669437 YKELRWNTNONJOC-MAUKXSAKSA-N 320.433 2.553 0 50 DFAA c1cc(-c2nccn2[C@H]2CCc3c[nH]nc3C2)n2nccc2c1 1857727143 LWXYUPLTANSHDP-AWEZNQCLSA-N 304.357 2.651 0 50 DFAA COc1ccccc1NC(=O)c1ccc(O[C@H](C)C(=O)O)cc1 148424 WMBCPKDCCNCKKU-LLVKDONJSA-N 315.325 2.799 0 50 DFAA CCOCCCC(=O)N1CCC2(CC1)OCCc1ccsc12 352730058 FQJZUECNFHAJCG-UHFFFAOYSA-N 323.458 2.955 0 50 DFAA NC(=O)c1ccc(CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1 364708669 IQTSWBNMZBISGB-KRWDZBQOSA-N 314.360 2.578 0 50 DFAA CCN(CC)C(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 585142142 PSDXTAXTHXOXBT-UHFFFAOYSA-N 321.812 2.719 0 50 DFAA CC(C)NC(=O)c1ccc(C(=O)N[C@@H](C)c2nccs2)cc1 163371585 JQWQSACTZDHBSW-NSHDSACASA-N 317.414 2.772 0 50 DFAA C[C@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1)c1cnn(C)c1 266451205 BTYJVBDAWIVFHR-WMLDXEAASA-N 312.417 2.898 0 50 DFAA CCn1ncc(NC(=O)C[C@H]2CC(=O)Nc3ccccc32)c1C 828952815 QQCRGEDOSKKLLG-GFCCVEGCSA-N 312.373 2.666 0 50 DFAA NC(=O)[C@H]1CCCC[C@@H]1NCc1nc2ccccc2n1C(F)F 131043180 YJFGHHDQCWSTRW-QWRGUYRKSA-N 322.359 2.565 0 50 DFAA CCCc1cc(=O)oc2cc(OCC(=O)OC)c(Cl)cc12 434868 XIISVZGAHJUDCZ-UHFFFAOYSA-N 310.733 2.951 0 50 DFAA Cc1ccc(SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 452317 STPNTSCZWFXPTP-UHFFFAOYSA-N 300.383 2.825 0 50 DFAA O=C1C[C@@H](c2ccco2)Cc2nc(NC[C@@H]3CCCO3)ncc21 2447313 VHKLANFAWJPXPK-RYUDHWBXSA-N 313.357 2.573 0 50 DFAA CCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1 2488832 HFEKSIAWANDSHK-UHFFFAOYSA-N 319.434 2.541 0 50 DFAA COC[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 2356139270 OPSAYHGGLKWOIO-LBPRGKRZSA-N 316.357 2.903 0 50 DFAA COc1cccc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1 2770510 DOAOYFKNTVYQKL-UHFFFAOYSA-N 313.309 2.879 0 50 DFAA CN(C)[C@H]1CC[C@@H](CNC(=O)c2cccc3c2COC3)CC1 2356154649 DIQYWFQSEVNDIL-OTVXOJSOSA-N 302.418 2.567 0 50 DFAA Cc1ccn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2c1 4511222 OXDUHDPOXXXRIT-UHFFFAOYSA-N 313.744 2.909 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 8995786 OARSHJLYVUGIGS-VIFPVBQESA-N 324.167 2.859 0 50 DFAA CSc1ccc(CN(CCO)C(=O)c2cccnc2C)cc1 55359903 DZAMVPFNSILCHS-UHFFFAOYSA-N 316.426 2.747 0 50 DFAA O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccccc1F 9096649 JSTJZFRQOOPDKH-CYBMUJFWSA-N 300.289 2.554 0 50 DFAA COC(=O)c1c(NC(=O)c2cc(C)on2)sc2c1CCC2 9204290 RVPZOSKGFTWAAO-UHFFFAOYSA-N 306.343 2.572 0 50 DFAA CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccnc2S)C1 118991139 WRNDYJZZFQNHBJ-LBPRGKRZSA-N 322.430 2.566 0 50 DFAA Cc1cccc(NC[C@H]2CCN(Cc3nn(C)cc3Cl)C2)n1 420910113 DRJCKPHPWQJCAD-CYBMUJFWSA-N 319.840 2.711 0 50 DFAA CCc1nc(C)c(C(=O)N(C)Cc2cc(C3CC3)[nH]n2)s1 67805738 UANGQRSDDITMNV-UHFFFAOYSA-N 304.419 2.887 0 50 DFAA C/C(=C\c1ccco1)CN1CC[C@H](CNC(=O)C2CCC2)C1 67955384 HPFMXOSSDOLADF-YVGNARHYSA-N 302.418 2.921 0 50 DFAA O=C(N[C@@H](CC(F)F)c1ccccc1)c1cc2n(n1)CCCO2 421697654 FLFSVBRZFJTCRM-LBPRGKRZSA-N 321.327 2.792 0 50 DFAA Cc1cc(C)n(NC(=O)c2ccc([C@H]3CCCO3)s2)c(=O)c1 67540204 MKRDFOITDMAMRK-GFCCVEGCSA-N 318.398 2.762 0 50 DFAA CN(CCC[C@@H]1CCCO1)c1nc(CCN)nc2ccccc12 65462833 OPFWTNBBUOLHBE-CQSZACIVSA-N 314.433 2.526 0 50 DFAA C[C@H](CCC(=O)N[C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 124299858 YIVFBEGFBRSOLZ-KBMXLJTQSA-N 302.418 2.731 0 50 DFAA Cc1ccc(OCC(=O)N2CCC([C@H]3CCOC3)CC2)cc1 363752364 MJEYNJNAGRBBFP-INIZCTEOSA-N 303.402 2.649 0 50 DFAA Cc1noc(C)c1[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 252486947 PMQLLQQBMYVVHR-VZLIPTOUSA-N 320.389 2.639 0 50 DFAA Cn1cnc2cc(C(=O)O[C@@H]3[C@H]4CCO[C@H]4C34CCC4)ccc21 252486526 KURSUNGQDLBRGC-APHBMKBZSA-N 312.369 2.688 0 50 DFAA Cc1nc(CN(Cc2cccc(-n3cccn3)c2)C(C)C)no1 65370481 TXLSNFUYYLBDBG-UHFFFAOYSA-N 311.389 2.974 0 50 DFAA CCCc1cc(CNC(=O)c2cn3cc(Cl)ccc3n2)on1 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DFAA CCC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCOc2ccccc21 271011897 ZLFIFANMNNPXGD-GJZGRUSLSA-N 301.386 2.913 0 50 DFAA Cc1n[nH]c2ncc(NCc3ccccc3N3CCOCC3)cc12 185908079 ASQHQAUIAJAZPF-UHFFFAOYSA-N 323.400 2.715 0 50 DFAA C[C@H]1C[C@H](C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)C[C@@H](C)O1 408222061 OCCCKAIWGQAGBE-VPKNTQAGSA-N 311.466 2.884 0 50 DFAA COCC(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 276582766 JXXFLWVHNOHALW-OAHLLOKOSA-N 317.364 2.916 0 50 DFAA CCC(=O)Nc1ccc([C@@H](C)Nc2ncnc3[nH]ncc23)cc1 169943756 OETYZWDVNIPKFQ-SNVBAGLBSA-N 310.361 2.875 0 50 DFAA C[C@H](NC(=O)N[C@@H]1C[C@@H]2CCCc3cccc1c32)c1nc[nH]n1 170071104 YHOKKAJNTXPVNT-VHRBIJSZSA-N 311.389 2.730 0 50 DFAA O=C(Nc1nc2ccccc2s1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 170624121 DYFKMYSUQISRAG-WTTBSCSTSA-N 314.366 2.758 0 50 DFAA Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccsc1 170616495 RUFLTUGVVJPKBJ-UHFFFAOYSA-N 310.444 2.919 0 50 DFAA COc1ccc(OC)c(C(=O)NC[C@@](C)(O)C2CCCCC2)c1 190471598 OWTAJZDSSLOJEB-GOSISDBHSA-N 321.417 2.765 0 50 DFAA CN(C)C(=O)c1cc(NC(=O)Nc2cccc3[nH]ccc23)ccn1 192266889 PSEDXXQGMOJBFY-UHFFFAOYSA-N 323.356 2.909 0 50 DFAA C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(OCC(=O)O)cc1 659759793 VUMIQFOSPBLQHN-OLZOCXBDSA-N 305.374 2.801 0 50 DFAA c1cncc(CO[C@@H]2CCCN(c3ncnc4cc[nH]c34)C2)c1 1772813671 NNAANEKAJRNARK-CQSZACIVSA-N 309.373 2.539 0 50 DFAA Nc1cc(-c2cc(Cl)c(O)cc2F)nc(N2CCCC2)n1 1772712152 OCEWKXPKAXHZAI-UHFFFAOYSA-N 308.744 2.824 0 50 DFAA Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]c1=S 5982165 GFYWRFWBPGTZQI-UHFFFAOYSA-N 317.201 2.966 0 50 DFAA COc1ccc(CCCN2C(=O)O[C@@H]3CN(C(C)C)C[C@@H]32)cc1 12206419 AAIRLEIPBZQSAT-DLBZAZTESA-N 318.417 2.541 0 50 DFAA Cc1nc(-n2cccc2)sc1C(=O)N=c1[nH]c2ccccc2[nH]1 12323863 BZNWJCLRQSJFBB-UHFFFAOYSA-N 323.381 2.793 0 50 DFAA COc1ccc(N[C@H]2CCCN(C(=O)c3cccnc3)C2)cc1 12434916 IUUGNMKLPNBGFF-INIZCTEOSA-N 311.385 2.807 0 50 DFAA CCCCS(=O)(=O)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 16527417 WJORSQIKUOVLGH-HNNXBMFYSA-N 310.463 2.635 0 50 DFAA COc1ccc(CC(=O)NCc2ccc(CN(C)C)cc2)cc1 19225451 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Cc1oc(C(C)(C)C)cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 934990206 KDIDZDHCVXZWPZ-NSHDSACASA-N 301.390 2.896 0 50 DFAA CCCc1ncc(C(=O)N2CCC([C@@H]3C[C@H]3C(=O)O)CC2)s1 2325775327 XGEHVXFADDXFHX-NWDGAFQWSA-N 322.430 2.669 0 50 DFAA CSc1cnn(C)c1NC(=O)NC[C@H]1OCc2ccccc21 2325803943 LHXFJLWBCYJROX-GFCCVEGCSA-N 318.402 2.535 0 50 DFAA CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2ccccc21 465979 ISGZVFSIUHUHEP-INIZCTEOSA-N 301.367 2.575 0 50 DFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 615910 URCMCAGJCXKTIR-CABCVRRESA-N 314.385 2.718 0 50 DFAA N[C@@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)C1 2356161726 GSUSREMNGKMLST-LLVKDONJSA-N 321.764 2.621 0 50 DFAA CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 2816967 DNZYLGOGJJPGJF-UHFFFAOYSA-N 319.382 2.529 0 50 DFAA CCOC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1 3129976 OTZMVXQQPARVFD-UHFFFAOYSA-N 324.185 2.811 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2cccc(OC(C)=O)c2)cc1 4842773 YGPFSLRZCALGRY-UHFFFAOYSA-N 312.325 2.823 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cnn3ccccc23)c1 55134104 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CC(C)C1=NO[C@@H](C(=O)N(C)CCOc2cccc(Cl)c2)C1 1506429457 SONYCDUSMPTAQP-OAHLLOKOSA-N 324.808 2.978 0 50 DFAA CS[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C)C[C@H](O)c1ccco1 252477057 HIIFHLZCLPBHFE-ZJQBRPOHSA-N 312.435 2.675 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3ccn(C(C)C)c3C)C2)n1 353980220 AJEVICFKWLLSBL-CYBMUJFWSA-N 302.378 2.699 0 50 DFAA O=C1C[C@H]2CC[C@@H](CN1)N2c1ccc2cccc(Cl)c2n1 65507523 BGOWQRQSALMFPL-NEPJUHHUSA-N 301.777 2.746 0 50 DFAA NC(=O)c1ccc(Oc2ccccc2CN2CCCCC2)nc1 67974086 XSCXVAWODFYPQV-UHFFFAOYSA-N 311.385 2.959 0 50 DFAA Cc1c(CSC(C)C)cccc1NC(=O)N[C@H]1CNC(=O)C1 356217660 LEYKLDZIIBHBNA-CYBMUJFWSA-N 321.446 2.647 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1c(F)ccc(O)c1F)CC2 253418365 OQYUUXXZWUROKL-RYUDHWBXSA-N 324.371 2.758 0 50 DFAA O=C(Nc1ccccc1)N1CC[C@](O)(c2ccc(F)cc2)C1 253419833 ASFRHOCEDAPECS-QGZVFWFLSA-N 300.333 2.951 0 50 DFAA CCOCCN1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 72479857 XDFBQKIMJCGKEN-INIZCTEOSA-N 318.465 2.601 0 50 DFAA O=C(O)[C@@H]1[C@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)C[C@H]21 217453980 DLOBSDLWMOZMHR-ZSHCYNCHSA-N 313.397 2.678 0 50 DFAA COc1cncc(Cn2ccc3cc(OC)c(F)cc3c2=O)c1 341366418 SKGPOCQASWRMKS-UHFFFAOYSA-N 314.316 2.601 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 237168434 QAKZMUNJUYWUCV-NSHDSACASA-N 309.337 2.551 0 50 DFAA CCc1ccnc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 282489861 JRAFNLIUKPZJRG-RDJZCZTQSA-N 314.360 2.731 0 50 DFAA CCc1nn(C)c(CC)c1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 367965657 MUCFQJHRCBREQA-SJORKVTESA-N 305.466 2.934 0 50 DFAA Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4CCNC4)n3)c2)n1 261644716 DPJABZAHCYAETQ-INIZCTEOSA-N 323.400 2.675 0 50 DFAA FC(F)(F)CN(Cc1nccs1)[C@@H]1CC12CCNCC2 261657713 ASAXNXVZWXYSHX-SNVBAGLBSA-N 305.369 2.650 0 50 DFAA Cc1nc(CNC(=O)c2cc(C)c3nc(N)sc3c2)cs1 71746618 ZGEJJXYDQNINSN-UHFFFAOYSA-N 318.427 2.882 0 50 DFAA O=C(Nc1ccccc1)c1ccc(N2CC[C@@H](C3CC3)C2)nn1 374323342 HRFVMZIQFPCXED-CQSZACIVSA-N 308.385 2.965 0 50 DFAA Cn1ncc2c(NCC[C@H]3CCCOC3)nc(C(C)(C)C)nc21 72141934 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316.386 2.605 0 50 DFAA CC[C@H](c1cn2cccnc2n1)n1cnc2cc(C)ccc2c1=O 584891930 BFLRRCRSURCNMT-MRXNPFEDSA-N 319.368 2.747 0 50 DFAA COCC1CN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)C1 952993706 POQZXZGDUNSZCI-JTQLQIEISA-N 314.332 2.637 0 50 DFAA CC(C)Cc1nnc(NC(=O)[C@@H](C)OCC(F)(F)F)s1 1875254713 BPXYJLAMAGRRDM-SSDOTTSWSA-N 311.329 2.643 0 50 DFAA C[C@H](CCc1ccccc1F)NC(=O)[C@H]1CC(C2CC2)=NO1 1875327610 BOGJWUOEFNQMJC-BDJLRTHQSA-N 304.365 2.818 0 50 DFAA COCCN(Cc1ccccc1C)C(=O)[C@@H]1CCC[C@H](O)C1 1565530744 HLCFMMZDCOJYBC-WBVHZDCISA-N 305.418 2.521 0 50 DFAA Fc1ccc(Cc2nnc3n2CCCC32CCOCC2)cc1 899234005 SFJDSDXFUUQPIX-UHFFFAOYSA-N 301.365 2.850 0 50 DFAA Cc1ccc([C@@H](C)NCc2cn(C[C@@H]3CCOC3)nn2)cc1C 631056285 MHVOFOZGTGUQJZ-CVEARBPZSA-N 314.433 2.782 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)c2nc(C)c(C)nc2C)on1 408242157 QWXHGDWPDDAPHD-ZDUSSCGKSA-N 300.362 2.676 0 50 DFAA Cn1nc(CCNC(=O)NC2CCCCC2)c2ccccc21 187359489 BWUFUALBUCSKKQ-UHFFFAOYSA-N 300.406 2.748 0 50 DFAA O=C(NCCc1cscn1)N[C@H]1CCOc2c(F)cccc21 170604116 AXVSJCSTORZGOK-ZDUSSCGKSA-N 321.377 2.648 0 50 DFAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ccc(C(N)=O)nn1 170604122 NJXDFLRBAPSNGY-LBPRGKRZSA-N 300.362 2.603 0 50 DFAA Cn1ncc2c(O)nc(/C=C/c3ncc(C(C)(C)C)s3)nc21 280349457 AXMLGZGUACOYTG-AATRIKPKSA-N 315.402 2.993 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)o1 639579133 BMMJPCXVRLTFNW-BLLLJJGKSA-N 300.358 2.514 0 50 DFAA Cc1cc(NCCCc2nc(-c3ccccn3)cs2)ncn1 585092174 IDGOSJLCIWGCQH-UHFFFAOYSA-N 311.414 3.348 0 50 DFAA C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1CO)c1ccc(F)cc1Cl 190571158 CGBYGXVQTISZDL-BFVZDQMLSA-N 314.788 2.952 0 50 DFAA COC(=O)c1cnc([C@@H]2CCCN(Cc3ccn(C)c3)C2)s1 597251205 BTQTXBLOXDWZOO-CYBMUJFWSA-N 319.430 2.648 0 50 DFAA COc1ccc(C(=O)O)cc1CN(C)CC[C@@H]1CCCCO1 1529106395 NWSFQQVZMXKHCM-HNNXBMFYSA-N 307.390 2.784 0 50 DFAA CN(C(=O)c1cccc2c1ccn2C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529174202 QPZDWVBCJUQYDS-NMWPEEMBSA-N 312.413 2.800 0 50 DFAA Cc1cncc(C(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)c1 1704343604 KUIHPJGSXWKZQJ-LJQANCHMSA-N 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Cc1cccc2c1OC[C@@H](NC(=O)c1ccnn1C1CCC1)C2 936058650 YDJUTTYMTPIZKP-AWEZNQCLSA-N 311.385 2.650 0 50 DFAA Cc1cnn(C2CCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)c1 2325727871 KNWRMLWCRQMPBO-GFCCVEGCSA-N 316.405 2.764 0 50 DFAA CN(CCC1CCCCC1)C(=O)c1n[nH]c2ccccc2c1=O 111593582 GKFXVGAQVYIAHR-UHFFFAOYSA-N 313.401 2.966 0 50 DFAA CCN(CC)CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 245339159 QYQJTWSPPULTRS-RHSMWYFYSA-N 323.506 2.589 0 50 DFAA CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 1072383 IVMCSUWWVZHKGY-JVWICGRDSA-N 318.392 2.874 0 50 DFAA O=C(NC(=O)C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 2888906 IZTILQLGTFJDDM-UHFFFAOYSA-N 316.157 2.796 0 50 DFAA CCc1ccc(CNC(=O)C(=O)Nc2cccc(OC)c2)cc1 2993672 HGIRLOBVJIWVDJ-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA O=C(CCc1ccc(F)cc1F)N[C@H]1CC[C@@H](C(=O)O)CC1 2356165742 IAYOCNNCYLLRQA-BJHJDKERSA-N 311.328 2.657 0 50 DFAA CC(C)[C@@H]1CC(=O)c2nc(NC(=O)c3ccncc3F)oc2C1 2356169997 PZRPWVRZUDFWEC-SECBINFHSA-N 317.320 2.862 0 50 DFAA COC(=O)Nc1cccc(C(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 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Cc1nc2ccccc2c(O)c1CC[C@]1(C)NCCc2[nH]cnc21 65385118 SCDAMAADONJREA-IBGZPJMESA-N 322.412 2.966 0 50 DFAA CC1=NN(C(=O)c2ccc(C)c(C)c2)[C@@](O)(C(F)(F)F)C1 4179014 YHQVUFJVNZBMBW-ZDUSSCGKSA-N 300.280 2.776 0 50 DFAA COc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 282032200 LNVRGLXGERVUTO-KZNAEPCWSA-N 317.429 2.780 0 50 DFAA O=C(CCC1CCOCC1)N1CCN=C(O)[C@H]1c1cccs1 329788294 ZLEBJYXPBOFZAN-OAHLLOKOSA-N 322.430 2.795 0 50 DFAA OC[C@@H]1CCCN1c1cc(N[C@H]2CCc3ccccc32)ncn1 257365198 IWTURUZXOPHTSX-HOCLYGCPSA-N 310.401 2.537 0 50 DFAA CCC[C@H](C)NC(=O)[C@H](C)N[C@H]1CCCc2c1cnn2CC 257365540 LCLOKODZYVPKRC-YDHLFZDLSA-N 306.454 2.563 0 50 DFAA O=C(NCc1ccc(Cl)s1)N1CCC(F)(F)[C@@H](CO)C1 361920513 YMQPWWHYGDPRQR-MRVPVSSYSA-N 324.780 2.561 0 50 DFAA Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 154030307 IMZOJDHILMFQRN-UHFFFAOYSA-N 322.405 2.997 0 50 DFAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCOCC[C@@H]3C)c12 367738852 CPSZWPPNTPFPAZ-JTQLQIEISA-N 315.373 2.660 0 50 DFAA CCn1cc(C(=O)N2CCC[C@H](OC)CC2)c(C(F)(F)F)n1 368534709 PCMYHXJLRYNXMT-JTQLQIEISA-N 319.327 2.563 0 50 DFAA c1cc(N2CCC(NC[C@@H]3CCOC4(CCC4)C3)CC2)ccn1 459573273 IMFAEJYUZBBIAI-MRXNPFEDSA-N 315.461 2.989 0 50 DFAA Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)O)cc1NC(=O)C(C)(C)C 262351148 BLIPVBANLVCOBY-RYUDHWBXSA-N 318.373 2.639 0 50 DFAA C[C@@H](C(=O)O)N(C(=O)c1cccc(C(F)(F)F)c1)C1CC1 262666100 VWCDPMADBOYMAV-QMMMGPOBSA-N 301.264 2.783 0 50 DFAA CCc1nc(CNc2nccc(-c3cn(C)nc3C)n2)cs1 48212313 GLMSJPMNPVJIMY-UHFFFAOYSA-N 314.418 2.817 0 50 DFAA C[C@@H](c1ccc(-c2cc(N)nc(N3CCCC3)n2)cc1)N(C)C 215261540 PCLWZNKHOSKYKE-ZDUSSCGKSA-N 311.433 2.949 0 50 DFAA C[C@@H](C(=O)NCc1cnn2ccccc12)n1cnc2ccccc21 72170257 ZIYVYVRBYXLMOP-ZDUSSCGKSA-N 319.368 2.561 0 50 DFAA CCC[C@H](NC(=O)c1sc(NCC)nc1C)c1nccn1C 222533691 YDLZPCPKQRKWRF-NSHDSACASA-N 321.450 2.888 0 50 DFAA COCC1(CNC(=O)Cc2ccc(N(C)C)cc2)CCCC1 223583519 VVFNTHWCQJMBTK-UHFFFAOYSA-N 304.434 2.618 0 50 DFAA Cn1cncc1CN1C[C@@H](CCN2CCCC2=O)c2ccccc21 177428975 IOARHUGNESYYCK-OAHLLOKOSA-N 324.428 2.536 0 50 DFAA Cc1cc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)ccc1C(C)C 195528751 RZTWRRSTEYBCQR-YESZJQIVSA-N 321.461 2.967 0 50 DFAA CSc1ccc(CNc2cc([C@H]3CCOC3)ncn2)cc1 426434393 AINWJKPSDNNJSE-ZDUSSCGKSA-N 301.415 3.315 0 50 DFAA Cc1cc(N2CCN(C(=O)CCC(F)(F)F)CC2)cc(C)n1 222343476 KJANKKOYGYKXFJ-UHFFFAOYSA-N 315.339 2.690 0 50 DFAA Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)sc1C 426361908 HRFKWXIBRXIVMM-ZDUSSCGKSA-N 320.458 2.886 0 50 DFAA COC(=O)c1cc(C(=O)O)cc(C(=O)OCc2ccccc2)c1 164521567 KXMGBNVSBKQICS-UHFFFAOYSA-N 314.293 2.528 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NC[C@@H]1CCCO1 426574679 GVOINLQIYIDUGM-AWEZNQCLSA-N 305.353 2.627 0 50 DFAA Cc1cc(C)nc(CCNC(=O)c2nccc3ccccc23)n1 426711471 OIDKVDNRKSNDRC-UHFFFAOYSA-N 306.369 2.614 0 50 DFAA CC(=O)c1ccccc1-c1ccc(C(=O)N2CC[C@H](N)C2)cc1 426641429 SVUXWMCUIDJYQH-INIZCTEOSA-N 308.381 2.729 0 50 DFAA COc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1OC 180129369 CTUATPPFEJZQPP-MRXNPFEDSA-N 315.417 2.873 0 50 DFAA CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC(=O)N1 293977207 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302.418 2.769 0 50 DFAA NCC[C@@H]1CCCCN1C(=O)[C@H]1CCSc2ccccc21 357386700 YVXRMPFJQNMOKK-ZFWWWQNUSA-N 304.459 2.996 0 50 DFAA COc1ccccc1C(=O)N[C@H]1COc2ccc(F)cc2C1 378135393 BLNZLTRLBJVNPD-CYBMUJFWSA-N 301.317 2.568 0 50 DFAA C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cnccn1 585086767 KVPPAXRXQJGXLT-GFCCVEGCSA-N 319.430 2.814 0 50 DFAA CCOC(=O)N1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)CC1 496312400 UTDVNGWDUWWQKU-UHFFFAOYSA-N 321.421 2.518 0 50 DFAA CC1(C(=O)O)CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)CC1 851702375 DBYONBNDFYLKDL-SECBINFHSA-N 308.205 2.674 0 50 DFAA COc1cccc([C@@H]2CN(CCC(C)(C)C(=O)O)CCO2)c1 859786436 KHKDSCSRAFEHCI-HNNXBMFYSA-N 307.390 2.569 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3[C@H]4CCOC[C@H]43)cc2)c1C 2325767755 RNLXTQWINXKRHF-GVDBMIGSSA-N 311.385 2.710 0 50 DFAA FC(F)CN1CCC(Cc2nc(-c3cncs3)no2)CC1 904055951 VZNUJYQBIHZEQW-UHFFFAOYSA-N 314.361 2.713 0 50 DFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1 188213 WPQPCXKPUOSINE-UHFFFAOYSA-N 305.355 2.518 0 50 DFAA COc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1OC 188482 HCSUTOBTBPLLLG-UHFFFAOYSA-N 301.298 2.654 0 50 DFAA biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CCCCCC1 264598 ABLNRKNTLXKLRC-UHFFFAOYSA-N 303.811 2.913 0 50 DFAA CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccccc2)CC1 616972 YLHPKEISJOBMON-INIZCTEOSA-N 319.401 2.646 0 50 DFAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccc(F)cc1)OC2=O 1432740 OVCVRESKSQIMFO-SJORKVTESA-N 305.349 2.564 0 50 DFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCn1ccnc1 2741840 VNZYABYYGYHWKX-CYBMUJFWSA-N 321.808 2.819 0 50 DFAA O=C(N1CCCCCC1)N1CCN(c2ccccc2F)CC1 4661313 FCJZTQDHXSZJQV-UHFFFAOYSA-N 305.397 2.944 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5862892 ZYBWYFVUVSNISR-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA Cc1nn(C)cc1CNC(=O)CC12CC3CC(CC(C3)C1)C2 6184724 UDDMAZDWXDRUCA-UHFFFAOYSA-N 301.434 2.951 0 50 DFAA COc1ccccc1N1CCN(C(=O)Cc2ccccc2C)CC1 6715767 KLUDOIYCQBSDAL-UHFFFAOYSA-N 324.424 2.895 0 50 DFAA CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccnc1 6715911 UGMXDKIWEFNYCA-AWEZNQCLSA-N 300.358 2.564 0 50 DFAA COC(=O)c1sccc1NC(=O)c1cccc(OC)c1OC 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O=C(NCCNc1cccnc1)c1cc(-c2ccccc2)on1 77406732 PWKQGQMEYVWIJF-UHFFFAOYSA-N 308.341 2.579 0 50 DFAA O[C@@H]1CN(Cc2cccc(N3CCOCC3)c2)Cc2ccccc21 82136988 FKZBXYNNWZTKRE-HXUWFJFHSA-N 324.424 2.572 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@@H](CC(C)C)c2ncnn2C)on1 91602604 RIVBPQMUYDZDAG-ZDUSSCGKSA-N 319.409 2.519 0 50 DFAA Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCCC2)nc(N)n1 91847879 CYLMNFMQWGXSLO-OAHLLOKOSA-N 315.396 2.755 0 50 DFAA CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ncnn1CC 92028447 JEHOEWXFSDSXFE-CQSZACIVSA-N 324.388 2.569 0 50 DFAA CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2)C(=O)C1 98213393 GXTYDJYAOAZRJD-UHFFFAOYSA-N 310.781 2.924 0 50 DFAA O=C1C[C@@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1 100379072 KAFRCVXCWWINGV-QGZVFWFLSA-N 306.365 2.771 0 50 DFAA COc1ccc2c(ccn2CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c1 101631369 DJPMZRBXISOHDD-OFQRWUPVSA-N 310.397 2.978 0 50 DFAA Nc1c(F)cc(Br)cc1I 113758724 BEVNAVSJFOFMKX-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA in-vitro CCOc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1OC 133098221 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Cc1ccc2nc(CCc3ccc4c(c3)CCO4)[nH]c(=O)c2c1 187026665 IRZONFBCAJHLNB-UHFFFAOYSA-N 306.365 2.952 0 50 DFAA NC(=O)CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 188188130 BMVMYCSSHDYJCO-LBPRGKRZSA-N 315.186 2.504 0 50 DFAA CC(C)N(C)c1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cn1 191381836 AUGAJGULYJXJNV-INIZCTEOSA-N 313.449 2.649 0 50 DFAA CC(=O)NC(C)(C)c1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 193202990 ZHTKSYSMTJTVBS-NWDGAFQWSA-N 321.327 2.990 0 50 DFAA O=S1(=O)C[C@@H](Nc2nc3cc(F)ccc3o2)c2ccccc21 195562736 OXDLWWPMVXFCCX-GFCCVEGCSA-N 318.329 2.907 0 50 DFAA Cc1ccc(C(=O)NC[C@@H](C)Oc2cccnc2)c(F)c1F 218929861 OKHWBDANIFULDV-LLVKDONJSA-N 306.312 2.866 0 50 DFAA c1ccc2c(c1)C[C@H](CN[C@@H]1CC[C@@H]3SCCS[C@H]31)O2 222128685 FHHLXYLWJVJGFG-VDERGJSUSA-N 307.484 2.959 0 50 DFAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1 223271464 QRFKTPUIFVBKOX-VXGBXAGGSA-N 304.173 2.527 0 50 DFAA O=C(NCCCn1cncn1)c1ccccc1-c1ccc(F)cc1 223956563 SCLXIGAWWGGKEI-UHFFFAOYSA-N 324.359 2.904 0 50 DFAA FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1 225845629 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311.393 2.787 0 50 DFAA O=C(O)CN(Cc1ccccc1)C(=O)c1scnc1C1CC1 190742282 XRJAGOXKYBMJDK-UHFFFAOYSA-N 316.382 2.748 0 50 DFAA CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(N)c1 194121385 JGXITRCLOBWRMA-OAHLLOKOSA-N 312.369 2.571 0 50 DFAA Cc1sc2ncnc(NCc3nnn(C(C)(C)C)n3)c2c1C 653474690 ZTRZXVDLCZZNLJ-UHFFFAOYSA-N 317.422 2.662 0 50 DFAA Cc1ccccc1C[C@@H](C)NCc1nc([C@H]2CCCO2)n[nH]1 655799001 ZJFDTFCSHBCNSP-UKRRQHHQSA-N 300.406 2.685 0 50 DFAA O=C(Nc1ccc2ncnn2c1)c1ccc([C@@H]2CCCOC2)cc1 662127025 BBMWYIOAIYGGKS-OAHLLOKOSA-N 322.368 2.876 0 50 DFAA CO[C@@](C)(C(=O)O)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 663054135 KAJMDHMBBOHIQM-RDTXWAMCSA-N 319.401 2.696 0 50 DFAA Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1cnn(C(C)C)c1 673738642 IUXUNVIVNGGRTL-UHFFFAOYSA-N 301.272 2.767 0 50 DFAA CNC(=O)C[C@H]1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 1506408896 NEJFHYLYJUKWOM-PGBRGIIUSA-N 318.461 2.578 0 50 DFAA Cc1c[nH]c(CN(C)Cc2nc3ccc(F)cc3[nH]2)c(C)c1=O 1506403103 VUKULJPBZCXTOD-UHFFFAOYSA-N 314.364 2.639 0 50 DFAA 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LVPKQNDCLNWUFD-UHFFFAOYSA-N 301.737 2.647 0 50 DFAA CCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4998631 ZFCSFYCZJILXEX-UHFFFAOYSA-N 324.427 2.689 0 50 DFAA Cc1ccc(NC(=O)CN2C3=NCCN3c3ccccc32)cc1 9264069 JQAMOFMQZDYISK-UHFFFAOYSA-N 306.369 2.630 0 50 DFAA COc1cccc(F)c1-c1ccc2ncnc(NCCO)c2c1 65386652 RFEHWYWLSFBYNA-UHFFFAOYSA-N 313.332 2.849 0 50 DFAA COc1cc(-c2cccc3c2O[C@H](CN)C3)cc(OC)c1OC 67919728 JPJMUHQWKVLRNH-ZDUSSCGKSA-N 315.369 2.642 0 50 DFAA C[C@H](C1CC1)n1cc(NC(=O)Cc2nn(C)c3ccccc23)cn1 421532853 RGWUPGGNZOEYOF-GFCCVEGCSA-N 323.400 2.922 0 50 DFAA CC(C)CN1CCCN(C(=O)[C@H](C)n2ccnc2C(C)C)CC1 67921708 WXNSCYWRYGAADR-INIZCTEOSA-N 320.481 2.758 0 50 DFAA CC(C)[C@H]1CN(C(=O)CCCCNC(N)=O)c2ccccc21 347552096 WWQAAUIMPBUTJL-CQSZACIVSA-N 303.406 2.611 0 50 DFAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](C(=O)O)C1 136167084 UXXGHWIGMAGPRH-JSGCOSHPSA-N 307.365 2.718 0 50 DFAA O=C(NCCCc1ccccn1)c1ccc(NC2CCC2)nc1 20598796 YRCBETHOCMQFSJ-UHFFFAOYSA-N 310.401 2.804 0 50 DFAA O=C(CCC(=O)c1ccc(F)cc1)NCCCc1ccccn1 178598373 RZRHQYICTFSXCN-UHFFFAOYSA-N 314.360 2.933 0 50 DFAA CC(C)Cc1nc(CN(C)Cc2ccc3c(c2)CCO3)no1 65375177 XXTQTHTXTLHTIV-UHFFFAOYSA-N 301.390 2.835 0 50 DFAA CCn1cnnc1[C@H]1CN(C/C(C)=C/c2ccccc2)CCO1 328640346 QAZGYEIYFGNPCV-GSPCDJLXSA-N 312.417 2.775 0 50 DFAA O=C(NCC1(Cc2ccccc2)CC1)[C@@H]1CCCc2[nH]ncc21 151570535 TUXRMPMZJAXPGL-OAHLLOKOSA-N 309.413 2.969 0 50 DFAA CO[C@H]1CCCN(c2ccc(-c3nc(C(C)C)no3)cn2)C1 39461345 PCAPUJJYXPOBCX-ZDUSSCGKSA-N 302.378 2.870 0 50 DFAA CCCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccc2c1OCO2 5596544 AHNIOCOSNYMFCF-IUODEOHRSA-N 319.357 2.580 0 50 DFAA Cc1cc(C(=O)N2CCOC[C@@H]2Cc2ccccc2)ns1 435820503 WBORYOPPTFTNMK-AWEZNQCLSA-N 302.399 2.535 0 50 DFAA O=C(O)CC1(NC(=O)CCc2ccc(O)cc2)CCCCC1 219687166 FRPXVPKZQKCJBR-UHFFFAOYSA-N 305.374 2.619 0 50 DFAA CC[C@@]1(O)CCCN(c2cc(C(C)C)nc3cc(C)nn23)C1 72481601 GDDJLDQTLBNSBO-QGZVFWFLSA-N 302.422 2.902 0 50 DFAA Cc1nc2ccccn2c1CN(C)Cc1noc(C2CCC2)n1 216382375 LQBXPLAJPUFVLZ-UHFFFAOYSA-N 311.389 2.925 0 50 DFAA Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCCC2)c(C)c1 72117408 XCFUNSNHQHKTSD-INIZCTEOSA-N 304.434 2.673 0 50 DFAA C[C@@H](C(=O)O)N(C)CC1(c2ccc(Br)cc2)CC1 237612770 HVDOTSCIEFYZCQ-JTQLQIEISA-N 312.207 2.886 0 50 DFAA CCOC(=O)CCNC(=O)NCc1ccc(Cl)c(Cl)c1 13328318 ZCFBDRVEUKJGKD-UHFFFAOYSA-N 319.188 2.746 0 50 DFAA COCc1nc(N[C@H](C)CCc2ccco2)c2cnn(C)c2n1 72129203 DAXHUNIBGYAKAC-LLVKDONJSA-N 315.377 2.536 0 50 DFAA C[C@H]1[C@H](NC2CCOCC2)[C@H](C)CCN1C(=O)OC(C)(C)C 495819074 UDEPAOHQUHFOPU-VNHYZAJKSA-N 312.454 2.789 0 50 DFAA CCc1cc(=O)oc2cc(OC[C@H](O)C(F)(F)F)ccc12 158403795 QIWWORZDZCZQKW-LBPRGKRZSA-N 302.248 2.657 0 50 DFAA O=C(NC[C@@H]1CCc2ccccc2C1)c1cccc2c1OCO2 604956066 ZRFSQHUVTYCZCS-CYBMUJFWSA-N 309.365 2.950 0 50 DFAA CCc1ccc(-c2nc(C)c(C(=O)N3CC[C@@H](N)C3)s2)cc1 132230060 WRQBLLURRKUKKK-CQSZACIVSA-N 315.442 2.854 0 50 DFAA C=CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 159834754 PVAUCKZBDIDWQR-UHFFFAOYSA-N 305.330 2.783 0 50 DFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cnc4ccccc4n3)C2)n1 222661762 DTASEOUKXFZMJG-AWEZNQCLSA-N 321.384 2.530 0 50 DFAA Cc1sc2[nH]c(=S)n(Cc3cnn(C)c3C)c(=O)c2c1C 17055428 ZYDCQNGBLUGBLB-UHFFFAOYSA-N 320.443 2.828 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NCC3(C(=O)O)CC3)oc12 263429445 KITPWFJSGWNYTI-UHFFFAOYSA-N 301.342 2.953 0 50 DFAA Cc1ccc(Cc2ccccc2C(=O)NC[C@@H]2CCC(=O)N2)cc1 223027816 AOYARISJFVYIJD-KRWDZBQOSA-N 322.408 2.594 0 50 DFAA O[C@H](CN1CC[C@@H](n2cc(Cl)cn2)C1)c1ccccc1F 289795233 HXGSOZFYZAVMDV-IUODEOHRSA-N 309.772 2.656 0 50 DFAA CCCn1nc(C)c(CNC(=O)c2cc(C(C)C)on2)c1C 82126627 AEXLUTOYRNAJNH-UHFFFAOYSA-N 304.394 2.951 0 50 DFAA CO[C@H]1CC[C@@]2(OC)CCN(CCCn3nc(C)cc3C)[C@H]2C1 426494710 XYMSQXWDXZNKKW-OKZBNKHCSA-N 321.465 2.548 0 50 DFAA O=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F 89201654 BUYPVRDWQVLXDL-UHFFFAOYSA-N 308.057 2.598 0 50 DFAA Cc1nccn1[C@H](C)C(=O)N1CCC(Cc2cccnc2)CC1 426470816 MCBOPMYBYRQTGX-CQSZACIVSA-N 312.417 2.629 0 50 DFAA CCc1nc(N2CCC(CCC(=O)NC3CC3)CC2)ncc1C 426567128 RNFCNXICASQCLL-UHFFFAOYSA-N 316.449 2.623 0 50 DFAA CCC(CC)n1nccc1NC(=O)NCc1nc(C)cc(C)n1 96136060 KGKICTKUBSRGCP-UHFFFAOYSA-N 316.409 2.973 0 50 DFAA C[C@H]1CCCN(Cc2ccc(CNCc3cncn3C)cc2)C1 237675258 XXGJGQSCFUQXPG-INIZCTEOSA-N 312.461 2.942 0 50 DFAA CCC[C@@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1N(C)C 95531263 RZJUEIZBYIEXSP-HUUCEWRRSA-N 300.406 2.903 0 50 DFAA Cc1ncsc1CCNC(=O)c1ccc2c(c1)CCCO2 426403467 GXMUNPAXKJOAQI-UHFFFAOYSA-N 302.399 2.749 0 50 DFAA CSCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 95368869 QLECXBFMWYBPKG-GOEBONIOSA-N 322.449 2.612 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccccc1 92098108 JZULLPPHUUXWIX-NWDGAFQWSA-N 315.291 2.656 0 50 DFAA COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@@H]3[C@@H]3[C@]15C=C[C@@H](O)C[C@]35[C@@H]24 247925654 ZDMUPGIYZAKMAW-KEYSHAGPSA-N 308.377 2.697 0 50 DFAA N[C@H]1C[C@H](c2cc(NCCCc3cccnc3)nc(C3CC3)n2)C1 244626539 FNOCEIPPJNACKN-WKILWMFISA-N 323.444 2.998 0 50 DFAA O=C(Nc1ccncc1F)N[C@H]1CCN(c2ccccc2F)C1 297872181 VBUKUGPQWXDLKP-NSHDSACASA-N 318.327 2.760 0 50 DFAA Clc1snnc1CN1CC[C@H](n2cnc3c2CCCC3)C1 299745413 YVXVTGLIIGJDMA-JTQLQIEISA-N 323.853 2.714 0 50 DFAA Cc1nc(O)cc([C@H]2C[C@H](NC(=O)c3ccc(F)c(C)c3)C2)n1 253535464 SNQIZZGPJRBOQL-JOCQHMNTSA-N 315.348 2.614 0 50 DFAA COc1cccc(OC2CN(C(=O)NC[C@@H]3CC3(C)C)C2)c1 534638702 QESUAVLKKHPNAZ-LBPRGKRZSA-N 304.390 2.514 0 50 DFAA CCCc1nc(C)c(CNC(=O)C[C@H](C)n2cccn2)s1 534584088 VRHKOYHLEVVKJY-NSHDSACASA-N 306.435 2.868 0 50 DFAA Cc1ccc(OC(C)(C)C(=O)N2CC(N3CCCCC3)C2)cc1 299769102 MXNCAASYZUVKHR-UHFFFAOYSA-N 316.445 2.849 0 50 DFAA CCCN(Cc1cccnc1)C(=O)NC[C@@H]1CCCN1C(C)C 670457708 OREWZWQBLLVXHX-KRWDZBQOSA-N 318.465 2.876 0 50 DFAA O=C(O)c1cc(I)c(Cl)cc1F 95642786 ADPSZAFEYOAEJJ-UHFFFAOYSA-N 300.454 2.782 0 50 DFAA in-vitro O=C(NCc1nc(-c2ccco2)n[nH]1)c1cc2ccccc2o1 584906735 MQERJNJAECPVKW-UHFFFAOYSA-N 308.297 2.741 0 50 DFAA CSc1nc(O)cc(CNC(=O)c2cc(C)c(F)c(C)c2)n1 585125791 FXWGLUSPYZZIAM-UHFFFAOYSA-N 321.377 2.590 0 50 DFAA CC(C)N(C(=O)CS(=O)(=O)CC(C)(C)C)c1ccccc1 280926037 ABZMPXKKBAAOIN-UHFFFAOYSA-N 311.447 2.889 0 50 DFAA Cc1noc([C@H]2COCCN2Cc2cc(Cl)ccc2F)n1 188484055 PRLPXLSNBAKGKT-CYBMUJFWSA-N 311.744 2.744 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2nc3ccccc3nc2C)C1 643744958 IOZPGEVLFDNQIT-DOMZBBRYSA-N 309.373 2.628 0 50 DFAA O=C(NCc1ccoc1)N[C@@H](CN1CCCC1)c1ccccc1 193581413 ZPHUFWJTRJMFBH-KRWDZBQOSA-N 313.401 2.916 0 50 DFAA CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1cccc(O)c1)CC2 194946550 GVQZKOOIXIDZHM-JSGCOSHPSA-N 300.406 2.773 0 50 DFAA COC[C@H](c1ccccn1)N(C)Cc1nc(-c2ccco2)no1 1506398274 AVNNAABDWVUCRA-CYBMUJFWSA-N 314.345 2.544 0 50 DFAA CC[C@H](C)Oc1ccccc1CN(CCO)Cc1cncn1C 1704307966 NWYWZAYUPJMOGN-HNNXBMFYSA-N 317.433 2.592 0 50 DFAA C[C@@H]1CN(C(=O)CCc2cncn2C)CCc2ccc(F)cc21 1616031760 LJWAFDGIOGDHCM-CYBMUJFWSA-N 315.392 2.680 0 50 DFAA CC(C)c1ccc(-n2cc(CN3C[C@H](O)[C@@H](F)C3)cn2)cc1 1616110039 QTNPWSTZNPSEAB-IRXDYDNUSA-N 303.381 2.510 0 50 DFAA CCCOc1ccccc1-c1nnc(NC[C@@H]2CCOC2)o1 1772702230 QSDMTAKFEJSPGB-LBPRGKRZSA-N 303.362 2.974 0 50 DFAA O=C(NCc1cccn2nccc12)c1conc1-c1ccccc1 1772806932 HONOQNXCIVXXEZ-UHFFFAOYSA-N 318.336 2.919 0 50 DFAA CCOc1ccc(C(C)=O)cc1CSc1nc(C)cc(=O)[nH]1 5042200 MAUJBGRIRGNBLZ-UHFFFAOYSA-N 318.398 2.972 0 50 DFAA CC(C)C(=O)N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl 19316201 DTNVRUTVMOPKLV-LLVKDONJSA-N 324.639 2.640 0 50 DFAA O=C(COc1ccccc1)N1CCN(C2CCCCCC2)CC1 19790091 PSLGRSVTYHHTKT-UHFFFAOYSA-N 316.445 2.932 0 50 DFAA CC[C@@H]1c2cccn2CCN1C(=O)CCc1c(C)nn(C)c1C 151369818 BICULNGZJPLLPK-MRXNPFEDSA-N 314.433 2.765 0 50 DFAA Cc1nc(C2(NC(=O)Nc3ccc(F)cn3)CCCC2)no1 122793952 KRINNWTWLWTCLN-UHFFFAOYSA-N 305.313 2.503 0 50 DFAA CC(C)[C@H]1CNCCN1C(=O)c1cc2ccc(Cl)cc2[nH]1 638490887 BMOHNSBMSWOQOO-OAHLLOKOSA-N 305.809 2.891 0 50 DFAA CC(C)C(=O)Nc1cc(C(=O)N2CCC[C@H]2C2CC2)ccn1 645297938 XUHAETGCRDOOBK-AWEZNQCLSA-N 301.390 2.691 0 50 DFAA C[C@@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)[C@H](c2ccco2)C1 237530833 GWGVTLOVGACITE-RISCZKNCSA-N 314.341 2.986 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)cc1 238018614 GEGAVGKKYZLIOH-AWEZNQCLSA-N 311.337 2.681 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 336981552 FOSCEMJZOQPJHR-ZBFHGGJFSA-N 317.364 2.551 0 50 DFAA Cc1cn2c(CNC[C@H]3CCc4nccn4C3)c(C)nc2s1 681915389 HBXPXPCBKZTXSH-CYBMUJFWSA-N 315.446 2.561 0 50 DFAA CN1CCC[C@H](NC(=O)c2cscc2-c2ccccc2)C1=O 361918407 XVLIRZQVKGTGNE-HNNXBMFYSA-N 314.410 2.766 0 50 DFAA CN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 265559133 XVHQGSSBMWZGBQ-QGZVFWFLSA-N 309.413 2.957 0 50 DFAA CC(C)c1cnc(CN2CCC(O)(Cc3ccccn3)CC2)o1 930983994 XNAIYSHMHDFGPX-UHFFFAOYSA-N 315.417 2.763 0 50 DFAA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 12380515 KTORBMPQKKCDIO-VIFPVBQESA-N 304.173 2.620 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)cc1C 1422495 AYLVCYUTMGZYMP-AWEZNQCLSA-N 304.415 2.659 0 50 DFAA Cn1cc(-c2ccc([C@@]3(O)CCCNC3)cc2)c2ccncc21 2325792002 RNAUYOPGNOCYES-LJQANCHMSA-N 307.397 2.811 0 50 DFAA O=S(=O)(NC1([C@@H]2CCCCO2)CC1)[C@@H]1C[C@H]1c1ccccc1 922099868 SMTSUTGLFFAYNN-XHSDSOJGSA-N 321.442 2.564 0 50 DFAA Cc1ccn(-c2ccccc2CN[C@H]2CCN3CCC[C@H]3C2)n1 245343899 WJIJBPIVNYPBCD-ROUUACIJSA-N 310.445 2.897 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)Cc2ccc(F)cc2)n1 318321 WURJPSSBSOWZLM-UHFFFAOYSA-N 322.361 2.569 0 50 DFAA COC(=O)[C@H](C(=O)N1CCCc2ccccc21)C1CCCC1 2810722 VELBRRHEXRUMKR-INIZCTEOSA-N 301.386 2.945 0 50 DFAA CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 3208031 AMUDGRXNCHTVTA-UHFFFAOYSA-N 321.354 2.584 0 50 DFAA CC(C)Oc1ccc(CNC[C@]2(O)CCOC(C)(C)C2)cc1 4120571 PRNZEVLFVWJHQZ-SFHVURJKSA-N 307.434 2.884 0 50 DFAA CC1(C)[C@H](C(=O)Nc2ccc(C(=O)O)cc2)CC[C@]1(C)C(=O)O 4990362 CJJSEBJKIPJYCU-YVEFUNNKSA-N 319.357 2.850 0 50 DFAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NCc1ccccc1)[C@H]2C(=O)O 101572031 GGGLJXMPHPRWIQ-JHNDHUHGSA-N 313.397 2.996 0 50 DFAA CC(=O)N(Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1)C(C)C 116929823 IXVKGUJAUVREMS-UHFFFAOYSA-N 315.377 2.811 0 50 DFAA c1ccc2c(c1)C[C@H](NCc1ccc(-n3cccn3)cc1)CO2 20995446 YFWKKCGOQYDFMP-KRWDZBQOSA-N 305.381 2.966 0 50 DFAA NNC(=S)Nc1cc(C(F)(F)F)ccc1Br 67800248 DWIYJBBTKRPZEI-UHFFFAOYSA-N 314.130 2.628 0 50 DFAA CN(C(=O)CSc1nnc(S)s1)c1cccc(F)c1 153527683 IISUCSQZBNRLMH-UHFFFAOYSA-N 315.420 2.721 0 50 DFAA Cc1ccc(-c2cccc(CN3CCN(C)[C@@H](CCO)C3)c2)o1 23360727 IDEGYXPBVRZGEN-SFHVURJKSA-N 314.429 2.753 0 50 DFAA CCCCn1ncc(C(=O)NC[C@@H](CO)C2CCCCC2)c1C 357585418 XNMSBXJNWBWXTB-INIZCTEOSA-N 321.465 2.910 0 50 DFAA CCN(CC)c1ncccc1CNC(=O)c1ncoc1C1CC1 39430061 PSEBODJENSWBDB-UHFFFAOYSA-N 314.389 2.723 0 50 DFAA CCC1(NC(=O)[C@@H](C)n2cnc3ccccc32)CCOCC1 332068326 UXDVKWOETILBSS-CYBMUJFWSA-N 301.390 2.673 0 50 DFAA Cc1noc(C)c1C(=O)N(C)Cc1cc(-c2ccncc2)no1 218839633 RORUOBWGPCSEBU-UHFFFAOYSA-N 312.329 2.614 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2ccc(-n3cccn3)cc2)C1 72162310 RGPMZOSERRJCSK-INIZCTEOSA-N 310.445 2.931 0 50 DFAA CN1CC[C@H](c2nc(CCOc3ccc(Cl)cc3)no2)C1 32540714 FQJZBHRBUZPNSV-NSHDSACASA-N 307.781 2.764 0 50 DFAA CC(C)c1csc(CCNc2cc(C3CC(N)C3)ncn2)n1 219857588 FQFUPYCPZQFRFY-UHFFFAOYSA-N 317.462 2.916 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2ccncc2Cl)c2ccccc21 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CC[C@@]1(O)CCN(Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1O 72436606 GNYKKICNCGRSDN-ZIAGYGMSSA-N 321.314 2.552 0 50 DFAA Cc1nnc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)s1 78674821 CVWGIBXEOIHISK-OAHLLOKOSA-N 302.447 2.805 0 50 DFAA CC(C)n1ccc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)n1 265059573 RBCPMTDEBOYVES-KRWDZBQOSA-N 313.401 2.850 0 50 DFAA C[C@H](CCN1CCC(n2cc(CO)nn2)CC1)CC(C)(C)C 48501588 UIZXQCFLYZNJHG-CQSZACIVSA-N 308.470 2.870 0 50 DFAA Cc1ncccc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 220713932 VGUOKSGCSGMVTJ-HZMVEIRTSA-N 300.402 2.714 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)C[C@@H]2CCCOC2)cc1 192801688 FTHDPFARBXFWMX-ZDUSSCGKSA-N 304.390 2.580 0 50 DFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCc1cccc3ccccc13)C2 426399087 VFABWWWXNWRABY-IZZQQSIFSA-N 323.440 2.761 0 50 DFAA O=C1CCCN1CCN(CCc1ccccc1)Cc1cccnc1 191345251 MJSXSHPSODJZOA-UHFFFAOYSA-N 323.440 2.749 0 50 DFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cccn1C1CC1 222425352 POTFDINWAPDVOC-NVXWUHKLSA-N 318.417 2.527 0 50 DFAA Cc1cc(C)c2[nH]c(CNC[C@@H](O)c3ccco3)cc(=O)c2c1 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C[C@H]1CC(=O)c2c(nc3c(cnn3-c3ccccc3F)c2N)C1 618256469 JACGZUTZRIKGBM-SECBINFHSA-N 310.332 2.907 0 50 DFAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)cc1 299795022 LBVSNXXCOMCBNI-OAHLLOKOSA-N 313.401 2.660 0 50 DFAA CCc1nccn1CCCNC(=O)C1=Cc2ccccc2OC=C1 670456252 IDIVGNLPQDBAIE-UHFFFAOYSA-N 323.396 2.942 0 50 DFAA Cn1ccnc1COCC(=O)N1CC(C)(C)[C@H]1c1ccccc1 952892580 FDSVUSNNBVTAEN-QGZVFWFLSA-N 313.401 2.546 0 50 DFAA Cc1ccc([C@@]23C[C@H]2CN(C(=O)NCc2cccnc2)C3)cc1 1875291142 PDIXZCOQYFCEAR-HKUYNNGSSA-N 307.397 2.873 0 50 DFAA C=CC(=O)N(Cc1ccc(F)c(C)c1)CC1(O)CCSCC1 1875381929 LIYNYUCLMQMPIF-UHFFFAOYSA-N 323.433 2.907 0 50 DFAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[C@H]2C[C@]21C(=O)O 1875310819 DFPBVENYQHBAPR-KHIZAZIESA-N 319.405 2.536 0 50 DFAA O=C(c1cnc2[nH]cncc1-2)N1C2CCC(CC2)[C@H]1C(F)(F)F 1875313439 QLJMPBAEHRQUFU-KWPJZBAWSA-N 324.306 2.855 0 50 DFAA O=C([C@@H]1CCCn2nccc21)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831052 GSRQMTVMWJNDTF-GMBSWORKSA-N 322.412 2.693 0 50 DFAA CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N(C)Cc1cnc[nH]1 1775988306 HYWKXICONDWPLW-OAHLLOKOSA-N 323.343 2.750 0 50 DFAA NC(=O)[C@H]1CCCCN1c1cc(-c2cccc(Cl)c2)ncn1 1775994694 WHJLDDABPZSRPC-CQSZACIVSA-N 316.792 2.641 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C 408464743 HEQJPXJIHFUVGK-VZAMPYOESA-N 318.465 2.951 0 50 DFAA O=C(O)[C@H]1CN(Cc2ccc(Cl)c3ccccc23)CCO1 584637721 AXQQQZBCPMKFII-OAHLLOKOSA-N 305.761 2.779 0 50 DFAA Cc1cc(C(=O)N(C[C@H]2CCCN2)C2CC2)nn1-c1ccccc1 186487257 PUEJSSLJSXWPPT-OAHLLOKOSA-N 324.428 2.537 0 50 DFAA C[C@@H](c1ccccn1)N(C)C(=O)[C@H](O)Cc1ccccc1Cl 170083709 NXWBRPCFGYFSJP-BLLLJJGKSA-N 318.804 2.858 0 50 DFAA CC(C)N(C(=O)Cc1ccnc(O)c1Br)C(C)C 278649107 DCPNAXFKURKLDJ-UHFFFAOYSA-N 315.211 2.738 0 50 DFAA Cc1ccnc([C@H](NC(=O)c2ccc(F)cc2O)C2CC2)n1 170591850 BCBQGEZCBYQKJN-CQSZACIVSA-N 301.321 2.511 0 50 DFAA CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H]1CCCCN1C 600985387 AXKOICSLTRLKDK-HOTGVXAUSA-N 302.418 2.673 0 50 DFAA O=C(Cc1ccc2c(c1)OCCO2)N[C@@H]1CCCc2occc21 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308.385 2.568 0 50 DFAA O=C1C[C@@H](c2ccc(-c3ccc4ncnc(O)c4c3)cc2)CN1 1857726184 IKLIGSVCUQMVAH-CQSZACIVSA-N 305.337 2.606 0 50 DFAA C[C@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc3c(c2)OCO3)C1 176239 NPBZHIIMIMASKK-BETUJISGSA-N 304.390 2.722 0 50 DFAA Cc1cc(NC(=O)NCC(F)(F)c2ccc(F)cc2)n(C)n1 663236541 UJIOWNJHIZILRD-UHFFFAOYSA-N 312.295 2.781 0 50 DFAA O=C(O)c1cnc(C(=O)N2CCCCCc3ccccc32)cn1 263287299 QBFZQBHGQJEBKT-UHFFFAOYSA-N 311.341 2.548 0 50 DFAA CN(C)c1cccc(C(=O)N[C@H](CC(=O)O)c2cccs2)c1 914730850 KSSBNUFYZIOEEG-CYBMUJFWSA-N 318.398 2.760 0 50 DFAA CCCN1CCN(C(=O)c2ccc(Br)cc2)CC1 16603477 YIOVUXCNCXLZCL-UHFFFAOYSA-N 311.223 2.617 0 50 DFAA CCC(CC)(CNC(=O)OC(C)(C)C)NCc1n[nH]cc1C 289440088 FTHAFDBJJUIPCU-UHFFFAOYSA-N 310.442 2.891 0 50 DFAA NCCc1ccc(O)c(NC(=O)c2cnc3sccc3c2)c1 2325858779 ABPBJDQHMNSDDA-UHFFFAOYSA-N 313.382 2.755 0 50 DFAA Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 255759 ZEKROONARVNIAR-CYBMUJFWSA-N 322.364 2.927 0 50 DFAA O=S(=O)(Nc1ccc(Br)cc1)N1CCCCC1 2697139 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C[C@H](Cc1cnccn1)Nc1ccc(-c2nc(C3CC3)no2)cn1 20256730 WXVMNPYISJUGQC-LLVKDONJSA-N 322.372 2.842 0 50 DFAA CSc1ccc(-c2nc(CN3CC[C@@H](N)C3)c(C)o2)cc1 67713961 OXRIKAUUTYAPJM-CYBMUJFWSA-N 303.431 2.905 0 50 DFAA Cc1csc(N2CCCN(C[C@@H](O)c3ccccc3)CC2)n1 229452325 SPRFLMNHKRHKDK-MRXNPFEDSA-N 317.458 2.697 0 50 DFAA COc1ccccc1-c1nnc(NC(=O)c2ccccn2)s1 61719682 BRCDJEFXZLNEFG-UHFFFAOYSA-N 312.354 2.861 0 50 DFAA O=Cc1ccccc1OCCOCCOc1ccccc1C=O 3040787 BNHDIXQOGZHJMC-UHFFFAOYSA-N 314.337 2.786 0 50 DFAA biogenic CCc1nc(N2CCC[C@@H](CCCOC)C2)c2cnn(C)c2n1 72447125 WRQFHBDMPAQMAZ-ZDUSSCGKSA-N 317.437 2.569 0 50 DFAA CCc1cc(N(C)CC[C@H](O)c2ccccc2)n2nccc2n1 72467841 UBQVIROWYOOKTF-INIZCTEOSA-N 310.401 2.852 0 50 DFAA c1ccc(-c2ncc(CN3CC(c4cccnc4)C3)cn2)nc1 72151509 TVAQXGNSZUKIEO-UHFFFAOYSA-N 303.369 2.533 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@H]2CCCSC2)cn1 328633158 LUABLOPKVYICHA-GUTXKFCHSA-N 308.451 2.548 0 50 DFAA CCC(=O)Nc1ccc(F)c(-n2ccnc2-c2nccn2C)c1 77471913 SVSWLNPEJKQXCM-UHFFFAOYSA-N 313.336 2.760 0 50 DFAA Cc1nc(=NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n(C)[nH]1 330811707 BAXMGOJCUQFBMQ-SSDOTTSWSA-N 313.188 2.594 0 50 DFAA C[C@H]1C[C@H](NC(=O)NCCc2cccc(Cl)c2)CN1C1CC1 154552949 PDUGHXGKEOXHGW-WFASDCNBSA-N 321.852 2.807 0 50 DFAA Cc1c([C@@H]2CCCN2C(=O)C2=Cc3ccccc3OC2)cnn1C 367234047 JDEVGYLTNONLQL-KRWDZBQOSA-N 323.396 2.868 0 50 DFAA C[C@H](C[C@H](O)c1cccs1)NC1CCC2(CC1)OCCO2 156420884 HRHYKHSWBJHWIQ-OCCSQVGLSA-N 311.447 2.835 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1 72119375 QAAVVBPODSJDGL-OAGGEKHMSA-N 305.418 2.833 0 50 DFAA O=C(C[C@@H]1OCCc2ccccc21)N1CCOc2ccncc21 174923631 RMEXUCIWUJSPGS-KRWDZBQOSA-N 310.353 2.511 0 50 DFAA CC(C)Oc1cccc(C(=O)N[C@H](CCO)C2CCCCC2)n1 130274201 SXPAOWXVJPSHLA-OAHLLOKOSA-N 320.433 2.930 0 50 DFAA O=C(N[C@@H](C(=O)O)[C@H]1CCCOC1)c1ccc(C2CCC2)cc1 263312471 XWCNNHMWOUBXTK-JKSUJKDBSA-N 317.385 2.564 0 50 DFAA CCc1cccc(CN2CCC[C@@H](N(C)CC(=O)O)CC2)c1 263572841 LMQWVODOCOIAAQ-QGZVFWFLSA-N 304.434 2.620 0 50 DFAA C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2F)CC[C@H]1O 225611909 JJWUHHCSLWPJMH-QMTHXVAHSA-N 313.800 2.986 0 50 DFAA CCCn1cc(NC(=O)N[C@@H](C)CCc2ccccc2)nn1 95531526 VIYUEMYEXFVDCO-ZDUSSCGKSA-N 301.394 2.831 0 50 DFAA Cn1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1=O 97797740 QDIXLQMSNWZJBA-UHFFFAOYSA-N 318.376 2.905 0 50 DFAA CCc1nnc(CNC(=O)c2ccc([C@H]3CCCO3)s2)s1 91694300 VCHYUOHKUXXMCH-SECBINFHSA-N 323.443 2.944 0 50 DFAA COC[C@H]1CCCN1C(=O)c1ccc(CN2CCCCC2)cc1 97179315 OPBYSBUEMAOHBR-GOSISDBHSA-N 316.445 2.924 0 50 DFAA Cc1cc2cc(C(=O)N3CCC4(CC3)COC(=O)O4)ccc2o1 91319874 YGWGUIVYNUOAGZ-UHFFFAOYSA-N 315.325 2.883 0 50 DFAA C[C@H](N)[C@H]1CCCCN1C(=O)/C=C/c1ccc2ccccc2n1 237551644 WQOOZIUCCUFNIP-YPVHTGTFSA-N 309.413 2.976 0 50 DFAA CCN(CCN1C[C@]2(CCOC2)CCC1=O)c1cccc(C)c1 91624992 WZHALRWFQVRHQJ-LJQANCHMSA-N 316.445 2.850 0 50 DFAA CCOCCOc1ccccc1-c1nc(-c2cccnn2)no1 91664068 SZOANPNLBSWUGV-UHFFFAOYSA-N 312.329 2.609 0 50 DFAA CCc1oncc1C(=O)N1CCCN(c2ccccc2C)CC1 91830167 APLPMOBMQCEPBF-UHFFFAOYSA-N 313.401 2.898 0 50 DFAA Cc1nnsc1CN(C)Cc1nnc(-c2cccc(F)c2)o1 244701100 KAFJVRPKCBOROF-UHFFFAOYSA-N 319.365 2.668 0 50 DFAA Cc1ccc(C)n1CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 253413775 VQHXPYTYBNLTNQ-AEFFLSMTSA-N 304.434 2.649 0 50 DFAA biogenic NC(=O)[C@@H](c1ccccc1)N1CC[C@H](Oc2cccc(F)c2)C1 183400082 BFFAGANKJIQJNF-DLBZAZTESA-N 314.360 2.505 0 50 DFAA Cc1cc2c(cc1NC(=O)N(C)C1CCC(CO)CC1)OCO2 183763884 GGHBXLOOHHJOBA-UHFFFAOYSA-N 320.389 2.739 0 50 DFAA O=C(CCCn1cccc1)N1CCC[C@@H]1c1nnc2ccccn12 604418923 VNFKUPKGQPQZOQ-OAHLLOKOSA-N 323.400 2.675 0 50 DFAA C[C@H](C(=O)O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 299738753 FZRJEEACBGLLPF-PWSUYJOCSA-N 319.336 2.528 0 50 DFAA CCCC[C@H](NC(=O)c1cn2cccnc2n1)c1cccnc1 822830888 CZMPATPIHCNNPE-AWEZNQCLSA-N 309.373 2.786 0 50 DFAA O=C(CCC(=O)N1CCC2(CCCC2)C1)N1CCCCCC1 584887532 YVMXTHUYWHIMMP-UHFFFAOYSA-N 306.450 2.962 0 50 DFAA COc1ccc(F)c(F)c1CN1CCC2(CCC(=O)N2C)CC1 670438006 ONHWRYXQIFLYQS-UHFFFAOYSA-N 324.371 2.560 0 50 DFAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1ccncc1Cl 584894521 ACAXXDGQTJAPMA-AWEZNQCLSA-N 315.804 2.522 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 630134312 VCPNHXCXVYXEOZ-UONOGXRCSA-N 301.367 2.866 0 50 DFAA CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](c1ncon1)C1CC1 952994154 VRVDXGBJRXOFTI-DZGCQCFKSA-N 315.373 2.803 0 50 DFAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccoc2Cl)C3)o1 952851717 SWCOOEDBCHLAOQ-BONVTDFDSA-N 321.764 2.818 0 50 DFAA C[C@@H]1CN(C[C@@H]2OC(=O)CC2(C)C)C[C@H](c2ccsc2)O1 1875275059 SYUNUBSJNJELRY-BNOWGMLFSA-N 309.431 2.852 0 50 DFAA O=C1CCCCN1c1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1 1875381279 PGLIPNDIIQZMTB-QFBILLFUSA-N 300.402 2.677 0 50 DFAA O=C1CCCCN1c1cccc(OC[C@H]2C[N@]2CC2CC2)c1 1875384345 FRWKUNRGKXAUHM-APWZRJJASA-N 300.402 2.677 0 50 DFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1nccc2ccccc12 1875399063 NMGVAHGPKZNESN-KBRIMQKVSA-N 308.385 2.683 0 50 DFAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2cncc(F)c2)c1 952962346 ARYYCHDJUMDZRU-LLVKDONJSA-N 313.332 2.988 0 50 DFAA O=C(N[C@H]1CCOc2ccccc21)c1ccc2c(n1)CCCN2 891650769 IUBKCLALSBCGDI-ZDUSSCGKSA-N 309.369 2.693 0 50 DFAA CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@H](F)C2)cn1 408228665 YUGJMBAAMSAFGZ-NSHDSACASA-N 300.399 2.592 0 50 DFAA O=C(O)CCCc1nc2ccccc2c2nc(-c3ccco3)nn12 408525801 LPWFZKLCJATGFE-UHFFFAOYSA-N 322.324 2.945 0 50 DFAA C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1cc(O)n[nH]1 898874905 GEPQFWUQTVWIDU-AFPNSQJFSA-N 305.300 2.661 0 50 DFAA CCCN(C)C[C@@H]1CCN(C(=O)N2CCc3ccccc32)C1 170654541 LPTQIDFSRGHZBX-HNNXBMFYSA-N 301.434 2.833 0 50 DFAA O=C(NC[C@@H](O)c1ccncc1)c1cc2ccc(F)cc2s1 750488496 WQCICIDYCYBUPF-CYBMUJFWSA-N 316.357 2.899 0 50 DFAA CC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 584906891 JQUSFUCKWSEAQV-OCCSQVGLSA-N 304.296 2.781 0 50 DFAA CCCCOc1ncccc1CNC(=O)CCCCN(C)C 584906715 XUKUYINYIGIGGF-UHFFFAOYSA-N 307.438 2.609 0 50 DFAA Cc1cc(NS(=O)(=O)c2ccoc2)cnc1N1CCCCC1 585081775 ZQINJUVXLYQIBW-UHFFFAOYSA-N 321.402 2.774 0 50 DFAA O=C(C/C=C/Cc1ccccc1)NC1(CO)CCSCC1 585121977 IHNGUBXXWILDCO-SNAWJCMRSA-N 305.443 2.550 0 50 DFAA Cc1ncc(C(=O)N2C[C@H](C)Oc3ncccc32)c(C(C)C)n1 189060489 OGUWXWURWDFXFY-NSHDSACASA-N 312.373 2.731 0 50 DFAA C[C@H]1CN(C(=O)Nc2ccncn2)C[C@H](c2ccsc2)O1 190689437 NORJVBZHCNSBIE-CMPLNLGQSA-N 304.375 2.532 0 50 DFAA Cc1cc(CN2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)on1 1529186460 FDWPZUAEEALGPY-DNVCBOLYSA-N 323.396 2.567 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OCCO)cc1)C2 1704300307 RQUVVAPMAYXENZ-MOPGFXCFSA-N 319.445 2.839 0 50 DFAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3nccs3)C1)CC2 1704311725 ANJTZLSRPZYAQU-MRXNPFEDSA-N 300.431 2.722 0 50 DFAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCC3(C(F)(F)F)CCCC3)C[C@@H]21 1615544983 FAPZSPVVTHKJKS-WHOHXGKFSA-N 304.356 2.599 0 50 DFAA C[C@H]1CCCc2ncc(C(=O)NCCN3CCCC(C)(C)C3)n21 1616029566 GGSYHDUINBAWNC-AWEZNQCLSA-N 318.465 2.632 0 50 DFAA CCCC[C@H]1CN(c2nnc3ccccn23)C[C@@H](C2CC2)O1 1616076598 BCJCCENQDUVSEZ-GJZGRUSLSA-N 300.406 2.903 0 50 DFAA Cc1noc(C)c1C[C@H](C)Nc1ncc(Br)cn1 265594350 QKTMVOQHMOQHPZ-ZETCQYMHSA-N 311.183 2.887 0 50 DFAA Cc1ccc(NC(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)cc1Cl 1772815523 SWWQAUDQJPUMAC-YPMHNXCESA-N 321.808 2.590 0 50 DFAA COc1c(C)cc(S(=O)(=O)Nc2ccccn2)c(C)c1C 12560536 GPQDXIKIMLCKFP-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2F)no1 12971506 DOLUOACCAHMVOK-CYBMUJFWSA-N 310.350 2.648 0 50 DFAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc2ccccc12 19799446 XDHRYCWORYBUJP-UHFFFAOYSA-N 323.348 2.640 0 50 DFAA CCC[C@H](CC(=O)OCC)Nc1ncnc2ccc(C)nc12 1857676556 QLPHXDYITJKOEG-GFCCVEGCSA-N 302.378 2.867 0 50 DFAA C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccnn1C 421534463 LJALRAWIBYXPQR-NURSFMCSSA-N 321.783 2.988 0 50 DFAA CC(C)(O)[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCCC2 123550569 BFJIPCPWSYYNIJ-QGZVFWFLSA-N 317.429 2.706 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)NCc2nncn2C(C)C)s1 152083487 GMXGTBJLKIVILB-UHFFFAOYSA-N 321.450 2.752 0 50 DFAA Cn1cc(-c2noc(-c3c(Cl)c4ccccc4n3C)n2)nn1 904813731 FXCPPCUVCZYRCU-UHFFFAOYSA-N 314.736 2.677 0 50 DFAA Cc1cc(CN2CCOc3c(cccc3C(=O)O)C2)sn1 905741832 WEWDVDQGUDZAQY-UHFFFAOYSA-N 304.371 2.544 0 50 DFAA COCc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)cc1 931090237 BMZXIKPPJKQBTC-CVEARBPZSA-N 314.389 2.945 0 50 DFAA COCc1nccc(NC(=O)N(C)Cc2c(C)cccc2C)n1 931957601 ZVYPNSGKBZRBMZ-UHFFFAOYSA-N 314.389 2.904 0 50 DFAA Clc1ccsc1CN1CCC[C@H](CN2CCOCC2)C1 194377233 UIQNMHRUESBYEO-CYBMUJFWSA-N 314.882 2.946 0 50 DFAA CC[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)c1nn[nH]n1 2325762220 VXFUWBDAKZBGOU-OAHLLOKOSA-N 313.405 2.667 0 50 DFAA O=C(CC[C@H]1Cc2ccccc2CN1)Nc1ccc2c[nH]nc2c1 2325780329 ZARCZSOCZPAOGQ-INIZCTEOSA-N 320.396 2.996 0 50 DFAA C[C@]12CN(Cc3cnn([C@H]4CC4(F)F)c3)CC[C@H]1C2(F)F 2325802513 LSROGLMAYDVCHN-WOPDTQHZSA-N 303.303 2.940 0 50 DFAA C[C@H]1CN(c2ccnc3c2cnn3C)CC[C@]12CCCN(C)C2 2325806062 QAUUZUYHYOYRRQ-KSSFIOAISA-N 313.449 2.527 0 50 DFAA Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3F)c2n1 3602 JEEJMSUHUZNTCD-UHFFFAOYSA-N 309.304 2.856 0 50 DFAA Cc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 123535 WHUQZIAUURXDAW-UHFFFAOYSA-N 308.337 2.620 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 175933 RPYPQUBMPHPHAQ-AWEZNQCLSA-N 324.380 2.995 0 50 DFAA CCn1cc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCO3)c(C)n1 609800 OTERZMKKKLMZOX-SNVBAGLBSA-N 316.361 2.823 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(Cl)cc1 613846 LORAZYWMEPWIRY-INIZCTEOSA-N 319.719 2.892 0 50 DFAA O=C(NCCOc1ccccc1)c1cc2ccccc2oc1=O 2841288 DKONDJAXGZDAKT-UHFFFAOYSA-N 309.321 2.602 0 50 DFAA CCCC[C@@H](CC)C(=O)N1CCN(C(=O)c2ccco2)CC1 2865466 AZIDHEXDHXNZGX-CQSZACIVSA-N 306.406 2.780 0 50 DFAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cccc(F)c2)C1=O 2356148526 DJEVTEXFGKLWCI-GOSISDBHSA-N 318.392 2.831 0 50 DFAA Cc1cc(NC(=O)Cn2cnc3sccc3c2=O)ccc1F 343326293 WSQVUHGSYGIDLG-UHFFFAOYSA-N 317.345 2.544 0 50 DFAA O=C(OC[C@H](O)CN1CCCCC1)C12CC3CC(CC(C3)C1)C2 4338370 RKIUOBASPHAKIY-YMVOSSCXSA-N 321.461 2.593 0 50 DFAA C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 4520251 XVLCLMUDRXFEFJ-STQMWFEESA-N 320.820 2.951 0 50 DFAA CCn1cc(-c2nnc(SCC(=O)O)n2C)c2ccccc21 4757929 KQCALCFJBSPNIN-UHFFFAOYSA-N 316.386 2.633 0 50 DFAA Cc1cc(Cl)ccc1NC(=O)CSc1nnc(C)n1C 7234628 FEIRAUTWNBSDDJ-UHFFFAOYSA-N 310.810 2.816 0 50 DFAA O=C1NCCCC[C@@H]1NCc1cccc(OC2CCCC2)c1 54808388 YDPQEFBQMXCPLP-KRWDZBQOSA-N 302.418 2.766 0 50 DFAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(OC(F)F)cc1 225763303 BVBRLAPAMRKRHB-ZDUSSCGKSA-N 321.327 2.829 0 50 DFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1nc2ccccc2s1 100629727 QABHXWMGVKPZJC-NGERZBJRSA-N 316.382 2.982 0 50 DFAA Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 9236763 QMUMRLATNPHOPM-SNVBAGLBSA-N 319.361 2.582 0 50 DFAA C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCCc2n[nH]cc21 344850896 UVKMRSCGCHUAOS-QWRGUYRKSA-N 317.414 2.669 0 50 DFAA Cn1c(=O)n(C)c2cc(C(=O)c3cc4ccccc4o3)ccc21 10434524 JSZVUZVQZOHQQC-UHFFFAOYSA-N 306.321 2.854 0 50 DFAA CN(CC1CC(O)C1)C(=O)c1cnc(-c2ccsc2)s1 135398623 RNQFGYDZTDCFTO-UHFFFAOYSA-N 308.428 2.715 0 50 DFAA CCCCc1cn(C2CCN(C(=O)c3ccoc3C)CC2)nn1 23430152 YXPAOQAMLJEXAD-UHFFFAOYSA-N 316.405 2.999 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@@H]4CCCN[C@@H]4C3)c2c1 77385894 NGGFBQFYDPMPFH-HNAYVOBHSA-N 323.440 2.930 0 50 DFAA CC(C)Cc1cc(CNC(=O)c2scc3c2OCCO3)no1 67871350 KXYHAFPMIQMALU-UHFFFAOYSA-N 322.386 2.636 0 50 DFAA Cc1ccc(SCCCCNCCN2CCOCC2)cc1 20500041 WRCNKMPURGPSFI-UHFFFAOYSA-N 308.491 2.789 0 50 DFAA CSc1nccc(N2Cc3cnc(C(C)(C)C)nc3C2)n1 67954675 VZAKELGABGEEAF-UHFFFAOYSA-N 301.419 2.806 0 50 DFAA CCN(Cc1ccncc1)Cc1cc2ccc(OC)cc2[nH]c1=O 67954951 CREPEOGGBRDBKT-UHFFFAOYSA-N 323.396 2.954 0 50 DFAA CC[C@@H](NC1CCN(Cc2ccccn2)CC1)c1ccnn1C 67755216 YBSPIXBNCOODNX-QGZVFWFLSA-N 313.449 2.520 0 50 DFAA CC(C)Cn1nc(C(=O)O)c2c1CC[C@@H](N1CCCCCC1)C2 67868303 KNWBKIIGADMJPN-CQSZACIVSA-N 319.449 2.971 0 50 DFAA Cc1ccc(NC(=O)[C@@H](C)NCCCc2c(C)n[nH]c2C)cc1 67803766 ANNUBOBEQILICG-OAHLLOKOSA-N 314.433 2.884 0 50 DFAA CN(C)C(=O)c1cc(C(=O)c2ccccc2C(F)(F)F)c[nH]1 3069903 LCBGXZIGIQDOAB-UHFFFAOYSA-N 310.275 2.966 0 50 DFAA C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC(n2ccnc2)CC1 128587845 JRBCQBMOYMSDEE-HNNXBMFYSA-N 322.416 2.862 0 50 DFAA c1csc(CN(Cc2cncnc2)[C@H]2CCCNCC2)c1 328632292 LIGRTUPDLQEFHJ-HNNXBMFYSA-N 302.447 2.682 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)C[C@@H](C)N1 153918248 GBCAVKNXCTWTGZ-GHMZBOCLSA-N 303.793 2.711 0 50 DFAA COc1ccc2c(CC(=O)N3CCC[C@@H]([C@H](C)N)C3)coc2c1 156366336 JSGNXKVZNFAPJV-QWHCGFSZSA-N 316.401 2.570 0 50 DFAA CCc1ccccc1OC1CN(c2ncnc3c2c(C)nn3C)C1 72462862 ZRCXHHUURMZPPQ-UHFFFAOYSA-N 323.400 2.502 0 50 DFAA Cc1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2NC3)cnn1C1CCCC1 333865940 SXWMFPXBDZHWJB-BPLDGKMQSA-N 302.422 2.633 0 50 DFAA CNc1nc(C(=O)N2CC[C@H](c3ccccc3F)C2)cs1 77408246 LEJDKPRCRAGMFT-JTQLQIEISA-N 305.378 2.954 0 50 DFAA Fc1cccc(F)c1-c1nn2c(-c3cnccn3)nnc2s1 40267162 XPDKIRKPSBMWFF-UHFFFAOYSA-N 316.296 2.588 0 50 DFAA Cc1ncc(N[C@@H]2COCC[C@@H]2OCc2ccccc2)nc1C 223412922 AOBMOBXGKGGBSA-SJORKVTESA-N 313.401 2.880 0 50 DFAA CN1Cc2ccc(CN(C)C(=O)c3cc(Cl)c[nH]3)cc2C1 426647317 PPAQVDNSPQKQRB-UHFFFAOYSA-N 303.793 2.886 0 50 DFAA CCSc1ccc(C(=O)NCCCn2ccccc2=O)s1 221334244 BAEXTGVSOWTBKY-UHFFFAOYSA-N 322.455 2.842 0 50 DFAA O=C(Nc1ccc(Oc2ccccc2)nc1)N1C[C@@H]2CNC[C@@H]2C1 97569009 PSHNAPFGRQQXDS-OKILXGFUSA-N 324.384 2.557 0 50 DFAA COc1ccc(F)c(CN[C@]2(CO)CCOc3ccccc32)c1 292758041 BTGZWNZXGTYBMF-SFHVURJKSA-N 317.360 2.594 0 50 DFAA CN(C)c1nc(Cl)c(-c2cn(Cc3ccccn3)nn2)s1 91829647 JKGWBUYAJWZEGD-UHFFFAOYSA-N 320.809 2.564 0 50 DFAA CC(=O)N[C@@H](C(=O)NCc1ccc2sccc2c1)C(C)C 244858674 VQCVYZLDQAJMNZ-OAHLLOKOSA-N 304.415 2.678 0 50 DFAA COc1ccc2[nH]c(CCN(C)CCc3ccccn3)nc2c1 244723790 MHNFTPJDWDTWJU-UHFFFAOYSA-N 310.401 2.684 0 50 DFAA Cc1ncccc1C(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244811444 SCSLITHABPZERY-JFIYKMOQSA-N 310.397 2.502 0 50 DFAA COc1cc(-c2nccn2[C@H]2CC[C@H](O)CC2)cc2c1OCO2 243900941 AXUUPSIQJRLYCQ-JOCQHMNTSA-N 316.357 2.763 0 50 DFAA CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@H](OC)C2)CCO1 181964322 IXFLIMNDCQZLQS-PMPSAXMXSA-N 312.454 2.791 0 50 DFAA Cc1cnc(SCc2cccnc2)nc1[C@@H]1CCCNC1 299779278 RGCUGBXSGKAEBQ-CQSZACIVSA-N 300.431 2.939 0 50 DFAA O=C(CCCn1cccn1)NC1(c2cc(F)cc(F)c2)CC1 299786628 XAVGLZZOFMOQQC-UHFFFAOYSA-N 305.328 2.747 0 50 DFAA O=C1CCCN1C[C@@H]1CCCN(Cc2cnccc2Cl)C1 670464470 AILWUIGRKBVKKD-CYBMUJFWSA-N 307.825 2.569 0 50 DFAA C[C@H](CCn1cccn1)N1CCC(CCN2CCCC2)CC1 670452241 MDLDZZPODHYPKA-QGZVFWFLSA-N 304.482 2.860 0 50 DFAA Cc1ccc(SC2CCN(CCS(C)(=O)=O)CC2)cc1 670453811 PDFYNWAJRKIUOA-UHFFFAOYSA-N 313.488 2.596 0 50 DFAA COCCc1nc(-c2cccnc2)n(Cc2ccccc2C)n1 670438300 YRIPTTDTZNVZEN-UHFFFAOYSA-N 308.385 2.886 0 50 DFAA Nc1nnc([C@H]2CCCN(Cc3ccc4cnccc4c3)C2)o1 952994300 YXADQABNIBYUFA-HNNXBMFYSA-N 309.373 2.580 0 50 DFAA CN(Cc1sc(N2CCCC2)nc1Cl)C[C@@H]1CCOC1 952880362 CSGAGJYEYDCWCZ-NSHDSACASA-N 315.870 2.865 0 50 DFAA C[C@@H](c1ccc(OC(F)F)cc1)N1Cc2nc(O)nc(O)c2C1 1875299565 OYIAMTCYIOIRJB-QMMMGPOBSA-N 323.299 2.566 0 50 DFAA CC[C@@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1C 1875369361 KCMKSYHVCSQKFK-SECBINFHSA-N 303.189 2.948 0 50 DFAA C=CC(=O)N1CCC(C(=O)NCCC(C)(C)C(F)(F)F)CC1 1875363226 ICIVXCHUIMIJLF-UHFFFAOYSA-N 320.355 2.506 0 50 DFAA CCOCc1cn(C[C@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)nn1 1875324026 YRMPACWKUHIZBM-UONOGXRCSA-N 322.453 2.536 0 50 DFAA CCCCn1nc(COc2cccc(OC)c2)nc1[C@@H](C)N 952873164 HPMBQYNJMQLWSP-GFCCVEGCSA-N 304.394 2.686 0 50 DFAA O=C(NC[C@H]1CCCN(CCC(F)(F)F)C1)c1ccoc1 952962407 BLLPRCKPFKRTPY-LLVKDONJSA-N 304.312 2.674 0 50 DFAA CCCS(=O)(=O)N(C)CCCOc1ccccc1Cl 952969475 FNHZVIVFXBGWPH-UHFFFAOYSA-N 305.827 2.781 0 50 DFAA NC1CCC2(CC1)C[C@H]2C(=O)NCCc1ccc2ncccc2c1 1775961264 LRUWVLMQWUEEOY-GNZRSQJKSA-N 323.440 2.801 0 50 DFAA OCCn1nc(-c2ccncc2)nc1[C@H]1C[C@@H]1c1ccccc1 1565515500 QJCAFOOTWQDIQP-CVEARBPZSA-N 306.369 2.604 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CC2=CCCCC2)cn1 275420896 OUXQRIMYFGUBLD-DOTOQJQBSA-N 303.406 2.647 0 50 DFAA CCc1sc([C@H](C)NC(=O)N[C@H](C)C[S@](C)=O)cc1C 170075451 GEYFYSMDXYKUJF-NLQQUQSOSA-N 316.492 2.746 0 50 DFAA CN(C[C@H]1CCCOC1)C(=O)Nc1ccc2c(c1)CCCO2 171675331 DWXVWILBOZKUOI-CYBMUJFWSA-N 304.390 2.902 0 50 DFAA Cc1ncoc1CN1CCC(C(=O)Nc2ccccc2O)CC1 585120934 YDQQBSRDSGIGCS-UHFFFAOYSA-N 315.373 2.539 0 50 DFAA CC1(C)CN(C(=O)NCc2ccc(F)cn2)[C@@H]1c1cccnc1 644194355 IYZUGMVNTXLTAF-OAHLLOKOSA-N 314.364 2.908 0 50 DFAA Cc1ccc(C(=O)N(C)Cc2cccc(C(N)=O)c2)c(F)c1 749355958 RWKXFLKEUPDIRI-UHFFFAOYSA-N 300.333 2.505 0 50 DFAA Cc1cc2ccc(C(=O)N[C@H](C)[C@H](O)Cc3ccccc3)cn2c1 673031408 BDABGLBXXDRHEO-DNVCBOLYSA-N 322.408 2.970 0 50 DFAA Cc1cccc(NC(=O)CC(=O)N2CC(c3ccncc3)C2)c1C 1506406897 PNVRHNCYNXQZPT-UHFFFAOYSA-N 323.396 2.653 0 50 DFAA CC(C)n1cc(NC(=O)[C@H](c2ccccc2F)N(C)C)cn1 1529196713 FEMCFLMKFMFEMC-HNNXBMFYSA-N 304.369 2.845 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)[C@@H](C)Oc1cccc(OC)c1 1529196541 BKAPUEDXTFOJFP-GFCCVEGCSA-N 317.389 2.706 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)cn1 216385676 DUOPDWMOXOBOAO-SJORKVTESA-N 324.380 2.639 0 50 DFAA CNc1ncccc1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 1615589608 DQYSDOALSVWTCO-IBGZPJMESA-N 323.396 2.785 0 50 DFAA CC(C)Oc1cccc(OCCN2C[C@H]3C[C@H](O)C[C@H]3C2)c1 1775984005 GFKIHFSJCHDWQU-ZSHCYNCHSA-N 305.418 2.555 0 50 DFAA COc1ccccc1C1CCN(CC[C@H]2COCCO2)CC1 1775980160 TTXVHBXLJDCDBQ-INIZCTEOSA-N 305.418 2.680 0 50 DFAA CCONC(Cc1ccccc1)=C1C(=O)CC(C)(C)CC1=O 5996831 IHKVDHBMWPVNRX-UHFFFAOYSA-N 301.386 2.983 0 50 DFAA COc1cc(OC)cc(C(=O)N2CCN=C2c2ccccc2)c1 13942505 KIUJUBICLPDAOF-UHFFFAOYSA-N 310.353 2.606 0 50 DFAA Cc1cc(C)cc(NC(=O)CNC(=O)c2ccccc2F)c1 15591400 GAWCNQFAXZVULG-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)ccn1 18115729 ZHKBEHUWSYLTKV-OAHLLOKOSA-N 300.314 2.688 0 50 DFAA Cc1nc(CCNC(=O)[C@H](C)Sc2ccccn2)sc1C 151428305 ATIKSYRQKHNFEW-LBPRGKRZSA-N 321.471 2.994 0 50 DFAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[C@H]1C1(O)CC1 1857681693 CFGZCQBAZFIHKT-AWEZNQCLSA-N 304.777 2.951 0 50 DFAA O=C(NCCOC1CCCCCC1)N[C@@H]1CCO[C@H](C2CC2)C1 124260873 KSCWOGCUELUREN-WBVHZDCISA-N 324.465 2.983 0 50 DFAA COC(=O)[C@@H]1CC12CCN(c1nnc(C(C)(C)C)s1)CC2 408389137 HVRVIJVIDMCDLV-JTQLQIEISA-N 309.435 2.615 0 50 DFAA O=C(O)CCCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 14568007 YPPGHBRXQABXEI-UHFFFAOYSA-N 318.373 2.506 0 50 DFAA in-vitro C1=C[C@@H](N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)CCC1 253416327 BWRXUYCRPPHTBN-QZTJIDSGSA-N 324.428 2.808 0 50 DFAA C[C@@H](NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccccc1 363307395 RVEIUUUBFNSMOQ-CABCVRRESA-N 312.417 2.755 0 50 DFAA Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C(=O)O)n1)[C@H](C)C2 262777780 LZAZSBVPGKERCF-BZNIZROVSA-N 310.353 2.752 0 50 DFAA CCO[C@@H]1C[C@](NC(=O)c2cccc(F)c2C)(C(=O)O)C1(C)C 263051425 AALPNANKUAUXFH-DYVFJYSZSA-N 323.364 2.522 0 50 DFAA COc1ccc(C2(CNC(=O)c3ccco3)CCOCC2)cc1 189410 ZJFSORDRRPVUNL-UHFFFAOYSA-N 315.369 2.766 0 50 DFAA COC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCO2 380761 BGQPZNXEYGHSGC-UHFFFAOYSA-N 305.311 2.516 0 50 DFAA CCOc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F 4667076 KDUKWNNLXTYYDD-UHFFFAOYSA-N 321.373 2.976 0 50 DFAA CCN(C[C@H](C)C(=O)O)C(=O)c1cccc(-c2ccccc2)n1 2325769404 NLICPZFKGVJSQO-ZDUSSCGKSA-N 312.369 2.931 0 50 DFAA Cc1ncc(-c2c[nH]c(=N)nc2OCC(F)(F)F)cc1Cl 2325808014 UCZOZKOQHISXJX-UHFFFAOYSA-N 318.686 2.854 0 50 DFAA Cn1c(N[C@H]2C3C[C@H]4[C@@H](C3)C24CO)nc2ccc(Cl)cc21 2325809794 NIWYLWAPZYXIOD-ADNFMULASA-N 303.793 2.656 0 50 DFAA CCOc1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 147157 KTKMYBYUPBSUAU-UHFFFAOYSA-N 315.325 2.801 0 50 DFAA CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(C(F)(F)F)C1 313445 BJCFIRAFEWZAFP-CYBMUJFWSA-N 316.279 2.558 0 50 DFAA CCOC(=O)N1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 468237 YPASCARBPATSAW-UHFFFAOYSA-N 321.446 2.774 0 50 DFAA Cc1ccc(C(=O)NCC(=O)OCc2ccccc2F)cc1 1074958 SFEGVNNYKZFIPG-UHFFFAOYSA-N 301.317 2.607 0 50 DFAA COc1ccc(-c2cnn3c(C)c(C(C)=O)cnc23)cc1OC 4488646 WCCMWEIVJBDDNV-UHFFFAOYSA-N 311.341 2.925 0 50 DFAA O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@H]1CCCO1 4804363 YUOYNCXHWHYFHZ-CYBMUJFWSA-N 305.765 2.702 0 50 DFAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCC(=O)O)c1 10287535 FMIRPOCCRIHHRQ-UHFFFAOYSA-N 312.753 2.882 0 50 DFAA CCc1cccc(OCCCN(C)C(=O)c2ncccc2O)c1 55344216 AZOASEBDPCZMOS-UHFFFAOYSA-N 314.385 2.891 0 50 DFAA CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(Cc2ccco2)C1 67922001 BFHUEEXPKABRFJ-ZDUSSCGKSA-N 317.389 2.643 0 50 DFAA c1ccc2c(c1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CO2 20995449 YFWKKCGOQYDFMP-QGZVFWFLSA-N 305.381 2.966 0 50 DFAA C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1cnc2n1CCCC2 67805527 IZZBUKODFAGBQN-SNVBAGLBSA-N 321.327 2.904 0 50 DFAA Cc1cc(CC(=O)N2CCS[C@H](C)[C@@H]2c2ccccc2)n[nH]1 119240065 MCUMFKLGQHEXLP-CXAGYDPISA-N 315.442 2.966 0 50 DFAA Cc1ccc(CN(CCCO)Cc2[nH]cc(C)c(=O)c2C)cc1 1506408855 MODMJOKUTFVHIK-UHFFFAOYSA-N 314.429 2.685 0 50 DFAA O=C(NCCN1CCOCC1)c1cc2c(ccc3ccccc32)o1 20568043 CRQBAHXIDVJYHR-UHFFFAOYSA-N 324.380 2.648 0 50 DFAA Cn1c(SCc2ccc(F)cc2)nnc1C1CCNCC1 62152629 DKZNMDIRKKEKNN-UHFFFAOYSA-N 306.410 2.714 0 50 DFAA O=C(Nc1cccc(F)c1F)N1CC[C@H](CN2CCCC2)C1 120305901 TWKYCHKWLZTGRE-GFCCVEGCSA-N 309.360 2.914 0 50 DFAA O=C(c1ccc(-c2ccc(-c3ccn[nH]3)cc2)o1)N1CCOCC1 67654557 BHHFEFSUDREEII-UHFFFAOYSA-N 323.352 2.809 0 50 DFAA Cc1cnc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)s1 172709120 WQZNIOZJBIUFMV-OAHLLOKOSA-N 315.442 2.732 0 50 DFAA O=C(O)C1(n2cnc3ccccc32)CCN(c2ccncc2)CC1 72425588 GERRUGFAISDIRF-UHFFFAOYSA-N 322.368 2.512 0 50 DFAA O=C1CC23CCCC[C@H](O)[C@H](O)CCCCC2(C1)CC(=O)C3 38690451 FYIHVWLFRXVZFI-OQSMONGASA-N 308.418 2.541 0 50 DFAA O=C(CCCn1cccn1)NCC1(N2CCCCC2)CCCC1 219583959 PVZOBQMICLXPFQ-UHFFFAOYSA-N 318.465 2.578 0 50 DFAA CCCn1nccc1C(=O)N(C)Cc1ccc2nsnc2c1 71760749 WSQYAKRHPHXTNC-UHFFFAOYSA-N 315.402 2.570 0 50 DFAA CCOc1ncccc1CNC(=O)c1c[nH]nc1-c1ccccc1 31325113 KDJHLXHHVSGWCR-UHFFFAOYSA-N 322.368 2.800 0 50 DFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 77388710 QBLUXBANLMQKKV-FUHWJXTLSA-N 321.424 2.833 0 50 DFAA Cc1ccc(OC2CCN(C(=O)[C@H]3CCCCN3C)CC2)cc1 77440012 PBPXOCZSXVOXIT-GOSISDBHSA-N 316.445 2.849 0 50 DFAA Cc1ccccc1[C@@H]1CN(c2ncnc3n[nH]cc23)[C@H](C)CO1 487639371 HAWSSJPAEPSEIK-DOMZBBRYSA-N 309.373 2.628 0 50 DFAA CN(Cc1ccc(Cl)s1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 242047997 VRVXXQWEKLSZQZ-VXGBXAGGSA-N 324.833 2.742 0 50 DFAA Cc1nc(CN2CCCN(Cc3cccc(F)c3)CC2)co1 72458586 ICBMAHRSOUZWQM-UHFFFAOYSA-N 303.381 2.830 0 50 DFAA CC1(C)CC(=O)c2cc(OC[C@H]3CCNC(=O)CC3)ccc2O1 333899720 IPBXEJKRGFNCEI-GFCCVEGCSA-N 317.385 2.726 0 50 DFAA Cc1csc(CCC(=O)N2CCC(c3cc[nH]n3)CC2)n1 368937610 HYDUQSGGAARQST-UHFFFAOYSA-N 304.419 2.513 0 50 DFAA COc1cc(C)c(CN2CC(N3CCOCC3)C2)cc1C(C)C 215275025 YHXQVFWDFGDGOQ-UHFFFAOYSA-N 318.461 2.643 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)CCc2cccs2)c2ccccc21 131955968 BGSTXAWDZSCGQA-CYBMUJFWSA-N 301.367 2.896 0 50 DFAA Cc1ccc(OC[C@H](O)CN[C@@H](C)CC(F)(F)F)c(C)c1 32518045 XKTIWABYXSGJJR-QWHCGFSZSA-N 305.340 2.974 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2(Oc3ccccc3)CC2)C1 263056137 AKSZWAYVCFMLGO-AWEZNQCLSA-N 317.385 2.701 0 50 DFAA CC(C)c1cc(C(=O)NC[C@H]2OCCc3ccccc32)n(C)n1 85532700 PNBZLRXRYIMSLB-QGZVFWFLSA-N 313.401 2.587 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H](C)[S@@]1=O 287836060 KZEPGFLJBDIRSO-QUSSIACISA-N 304.415 2.540 0 50 DFAA C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(F)F 496757244 KJVOXYDXCXFNJF-OUAUKWLOSA-N 320.380 2.649 0 50 DFAA CCOc1cc(C)ccc1S(=O)(=O)Nc1cc(C)ccn1 41096164 FWXNHLTXUWGAEN-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA Cc1nccn1CCN1CCC[C@@](CO)(Cc2ccccc2)C1 292007602 XPSKKISTCDXOAB-LJQANCHMSA-N 313.445 2.509 0 50 DFAA CCC(=O)N1CCC[C@@H](Cn2cc(-c3ccc(F)cc3)nn2)C1 48414061 HYEHMFRISIZPIJ-CYBMUJFWSA-N 316.380 2.733 0 50 DFAA O=C1C[C@@H](C(=O)NCCCc2ccc(F)cc2)C2(CCCC2)O1 97394484 DKEDFDLMQRPCKG-HNNXBMFYSA-N 319.376 2.750 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(F)cc1F 144720417 LUYHWLQWAVCDNA-LLVKDONJSA-N 315.316 2.875 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@@H]2COc3ccccc3C2)on1 91270347 QNPKNHIEODVMGS-AWEZNQCLSA-N 300.358 2.607 0 50 DFAA CC1CCN(C(=O)c2cccc(-c3nc4c([nH]3)CCNC4)c2)CC1 95379874 SIODGUYDOOWXNJ-UHFFFAOYSA-N 324.428 2.595 0 50 DFAA CCCCn1ccnc1[C@@H]1CCCN(c2cc(C)nc(N)n2)C1 95522613 NGSWHXKKZUSOPK-CQSZACIVSA-N 314.437 2.748 0 50 DFAA Cc1nn(C)c2nc(N(C)C[C@@H]3CCN(CC(C)C)C3)sc12 95511187 BBDHSMZMBDSCHF-ZDUSSCGKSA-N 321.494 2.752 0 50 DFAA CCCn1ncc(C(=O)N2CCCC[C@H]2c2ccn(C)n2)c1C 92096535 QUHPEXOUAYDTDW-INIZCTEOSA-N 315.421 2.702 0 50 DFAA Cn1cc(NC(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)cn1 96180385 WNUBKPQDYRUOEL-LLVKDONJSA-N 318.402 2.608 0 50 DFAA CCOc1c(F)cccc1C(=O)NC1CCC(C(=O)O)CC1 299745661 RRNQGWSKKLXDKS-UHFFFAOYSA-N 309.337 2.598 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H]1CCCS1)CC2 299743856 PNPBIFCNLLUDMX-NEPJUHHUSA-N 307.463 2.650 0 50 DFAA CCc1nc(CN(C)C(=O)N[C@@H](c2ccccn2)C(C)C)no1 534649178 MGBVHBMDSVPWSZ-OAHLLOKOSA-N 317.393 2.566 0 50 DFAA Cn1nc(C(=O)NCCCOC2CCCC2)c2ccccc21 534647968 PVFUTGLVJVSJAK-UHFFFAOYSA-N 301.390 2.652 0 50 DFAA O=C(NCc1csc(Cc2ccccc2)n1)C1CCOCC1 299793063 IGUANFUVEJNLMH-UHFFFAOYSA-N 316.426 2.777 0 50 DFAA COc1ccccc1CCNc1cc([C@H]2CCOC2)nc(C)n1 299778342 PPAJPRDMTCHNER-HNNXBMFYSA-N 313.401 2.952 0 50 DFAA CC(=O)NCCc1nc(C(C)(C)C)nn1-c1ccc(F)c(F)c1 820580691 XRKUWHUUUVUUJA-UHFFFAOYSA-N 322.359 2.522 0 50 DFAA Cc1cccc(OC[C@H]2CCCN(Cc3nonc3C)C2)c1 670467513 YXSOQVVVQPSOBW-HNNXBMFYSA-N 301.390 2.977 0 50 DFAA O=C(N[C@H]1CCn2ccnc21)N(Cc1ccc(F)cc1)C1CC1 1370326305 XYUCUKUWRAILKA-HNNXBMFYSA-N 314.364 2.841 0 50 DFAA N[C@H]1CN(C(=O)c2ccccc2OC2CC2)Cc2ccccc21 1875315511 XZYLFBPBQFYCCW-KRWDZBQOSA-N 308.381 2.884 0 50 DFAA Cc1cnn(CCC(=O)Nc2ccccc2Cn2ccnc2C)c1 952984001 YSMIVOVIPUBYFF-UHFFFAOYSA-N 323.400 2.774 0 50 DFAA Cc1ccc(C(=O)N2CCCN(CC[C@@H]3CCOC3)CC2)cc1 989548289 QKNODEOTZIQORO-QGZVFWFLSA-N 316.445 2.570 0 50 DFAA CC(C)[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1N(C)C 1565530787 FWDQKNCFQBPVFR-MOPGFXCFSA-N 312.461 2.890 0 50 DFAA CC1(C)CN(C(=O)COCC(F)(F)F)Cc2ccccc21 270655489 NJTMWJUYDHEQMF-UHFFFAOYSA-N 301.308 2.885 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H]2[C@@H](C)C2(F)F)n[nH]1 408223349 IFUFUKLLKPJCRR-VWYCJHECSA-N 312.364 2.883 0 50 DFAA CO[C@H]1CN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)C[C@H]1OC 408358643 HEQJKKDYDZQGSK-ZFVVBOAOSA-N 318.417 2.680 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 219666605 OHBAHMSAFQCWIU-LURJTMIESA-N 308.186 2.992 0 50 DFAA c1cc(-c2noc([C@@]34CCC[C@@H]3OCC4)n2)cc(-n2cncn2)c1 632067227 CHBDVVKJDVKRDJ-WMLDXEAASA-N 323.356 2.528 0 50 DFAA COCc1ccc(CN2CCC[C@H]2CN(C(C)=O)C2CC2)cc1 275545946 FTKPGOZDFSJRPK-IBGZPJMESA-N 316.445 2.808 0 50 DFAA Cc1nn(-c2ccccc2)cc1C(=O)NC[C@@H]1CCC(C)(C)O1 187319185 IKNANLKILOPVFD-HNNXBMFYSA-N 313.401 2.868 0 50 DFAA CC[C@@H](NCc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCCO1 170091611 UOSOITNSXJTUMH-OCCSQVGLSA-N 306.431 2.647 0 50 DFAA O=C(NC[C@@H]1Cc2ccccc21)c1c[nH]nc1-c1ccncc1 170646040 JCMYXUGREAMEPM-AWEZNQCLSA-N 304.353 2.541 0 50 DFAA O=C(Nc1ccncn1)N1CCC[C@H]1C[C@H](O)c1cccs1 194050127 UJJAWVGSDDQDBF-RYUDHWBXSA-N 318.402 2.658 0 50 DFAA CCc1c(C)noc1NC(=O)Cc1cc(OC)ccc1OC 1506419566 SHZVOYFXOVEVHO-UHFFFAOYSA-N 304.346 2.744 0 50 DFAA COc1ccnc(C(=O)Nc2c(C)cnn2C2CCCC2)c1 1529098378 CLWVMKVYGRQZBF-UHFFFAOYSA-N 300.362 2.963 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@H]4CCCN[C@H]4C3)c2c1 212705557 NGGFBQFYDPMPFH-BEFAXECRSA-N 323.440 2.930 0 50 DFAA Cc1cnc(NCCCn2ncc3ccccc32)nc1N(C)C 1704280487 GQPOMDGZUDNGIE-UHFFFAOYSA-N 310.405 2.703 0 50 DFAA COc1ccccc1-c1nccn1-c1ccc2c(c1)nnn2C 1772813798 UUBIJRIVJXSKKS-UHFFFAOYSA-N 305.341 2.830 0 50 DFAA CN(C[C@]1(O)CCCN(CC(C)(C)C)C1=O)C1CCCCC1 12053739 XFEOSRBNHXDURQ-GOSISDBHSA-N 310.482 2.651 0 50 DFAA O=C(O)CN(C(=O)CCC=Cc1ccccc1)C1CCOCC1 1857527745 UGUAERWHTZPNNE-UHFFFAOYSA-N 317.385 2.572 0 50 DFAA Cc1cnc(Cn2ccnc2-c2ccnn2-c2ccccc2)cn1 1857686707 CXQRQCRIZSKERT-UHFFFAOYSA-N 316.368 2.883 0 50 DFAA O=C(O)C1(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 118973913 VGXQMDUXZMKXRC-SNVBAGLBSA-N 314.168 2.962 0 50 DFAA NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 132286 GBSYWRRIDGIJRN-UHFFFAOYSA-N 301.396 2.936 0 50 DFAA CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CC=C(C)CC1 612995836 BPCBCDBWRLMFNY-HUUCEWRRSA-N 303.406 2.549 0 50 DFAA Cc1nn(C)c(C)c1Cc1nc(-c2ccc(N(C)C)cc2)no1 225556071 JDFHEVJGHYUQRF-UHFFFAOYSA-N 311.389 2.744 0 50 DFAA O=C(c1cc[nH]c1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 328638543 PDCRDMDOSIUPOG-OAHLLOKOSA-N 315.442 2.861 0 50 DFAA O=C(Nc1ncc(CN2CCCCC2)s1)c1cccnc1 12390471 YLSRTNSPQLWGDH-UHFFFAOYSA-N 302.403 2.776 0 50 DFAA O=C(c1csc([C@@H]2CCCO2)n1)N(CC(F)F)C1CC1 132172145 UPUCLLDNGMQFFP-JTQLQIEISA-N 302.346 2.864 0 50 DFAA C[C@H](NC(=O)N[C@@H]1CCc2c[nH]nc2C1)c1c(F)cccc1F 344097742 CWVCSZLCYUTETC-GXSJLCMTSA-N 320.343 2.606 0 50 DFAA COc1cccc([C@H]2CN(Cc3ccc(C)o3)C[C@@H]2C(=O)O)c1 248124396 WLYNBFPLGSXECH-SJORKVTESA-N 315.369 2.897 0 50 DFAA CC(C)n1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)n1 262917472 KEURWWFFFKAYSZ-ZDUSSCGKSA-N 315.373 2.580 0 50 DFAA FC(F)(F)CO[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 588897823 OBZJORAANWYHLN-VIFPVBQESA-N 300.284 2.506 0 50 DFAA CCCOc1cc(C)ccc1NC(=O)[C@@H]1CCCC(=O)N1C 906331274 ZGTZYFVJHIFYFI-AWEZNQCLSA-N 304.390 2.733 0 50 DFAA COc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100054532 FTZVRZZFUOVRRH-OAHLLOKOSA-N 314.316 2.578 0 50 DFAA O=C(NC1CC1)[C@H](c1ccc(F)cc1)n1cc(C2CCC2)nn1 899688351 NMDUATXDKLJLOP-INIZCTEOSA-N 314.364 2.553 0 50 DFAA Oc1cc2c(cc1F)CCN(Cc1cnn([C@@H]3CC3(F)F)c1)C2 2325779570 ORXDMWORZOVLOR-OAHLLOKOSA-N 323.318 2.866 0 50 DFAA Cc1nccn1CCc1noc([C@@H]2Cc3ccc(F)cc3O2)n1 2325812524 HXXJXXBFMXOWFY-AWEZNQCLSA-N 314.320 2.633 0 50 DFAA N[C@@H](c1ccccc1)c1noc(-c2cccc(N3CCCC3)n2)n1 2325813432 PTFKZPLVWSDVSH-INIZCTEOSA-N 321.384 2.780 0 50 DFAA COc1cccc([C@H](CN)NC(=O)c2ccc(Cl)cc2)c1 2325862775 IIBWPOIZAAWVRU-HNNXBMFYSA-N 304.777 2.778 0 50 DFAA COc1ccc(CNC(=O)c2cncc(Br)c2)cc1 129649 GMGGOGVCZBNYOA-UHFFFAOYSA-N 321.174 2.783 0 50 DFAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(N)=O)cc3n2)cc1 271904 XFXBJPDZLZZWFI-UHFFFAOYSA-N 320.274 2.822 0 50 DFAA CC(=O)N[C@H](c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1C 439248 QNVJQRMSYMCIIV-QZTJIDSGSA-N 321.380 2.903 0 50 DFAA COc1ccc(OC)c(-n2c(S)nnc2-c2cccnc2)c1 468382 KZUMOSLLICQUIP-UHFFFAOYSA-N 314.370 2.635 0 50 DFAA CC(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1 469214 VTJXABDQSDEHJW-UHFFFAOYSA-N 321.427 2.791 0 50 DFAA aggregator COc1ccccc1CN1CCC(C(=O)NCC(C)C)CC1 4725477 WANBOTNVOLANCO-UHFFFAOYSA-N 304.434 2.679 0 50 DFAA O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1Cl)[C@H]1CSCN1 225463687 BPUOIBYNGFCIQG-INTQDDNPSA-N 317.241 2.628 0 50 DFAA O=S(=O)(Nc1ccncc1)c1ccc(OC(F)(F)F)cc1 10342317 AOPTUUNGEMDRHO-UHFFFAOYSA-N 318.276 2.781 0 50 DFAA CN(CCC(=O)Nc1nccs1)Cc1cc(C(C)(C)C)n[nH]1 65426059 YITQLHMOSSXFGV-UHFFFAOYSA-N 321.450 2.624 0 50 DFAA COc1ccccc1Oc1ncccc1CN[C@H](C)CN(C)C 67847311 MVURSXUBLNRDPT-CQSZACIVSA-N 315.417 2.922 0 50 DFAA O=C(O)c1c(NCc2ccc(F)cc2)c2ccccc2[nH]c1=O 170624639 ZSMBVGLDXHGIGE-UHFFFAOYSA-N 312.300 2.978 0 50 DFAA CC(C)(CCC(=O)N1CCC[C@](O)(C(=N)O)C1)c1ccccc1 330580717 RJOPDTGKPVHCPG-GOSISDBHSA-N 318.417 2.633 0 50 DFAA O=C(NCCc1ccccn1)N[C@@H]1CCCN(c2ccccc2)C1 172121286 DCYOIQMFIDMQNB-QGZVFWFLSA-N 324.428 2.592 0 50 DFAA CC(C)(C)n1cc(CNC2CCN(C3CCCC3)CC2)nn1 252500243 SPZQSUAOULCESG-UHFFFAOYSA-N 305.470 2.530 0 50 DFAA Cc1ccsc1CN1CCC(C(=O)O)(n2ccnc2C)CC1 72457648 NGSVJDIMMDUHEN-UHFFFAOYSA-N 319.430 2.637 0 50 DFAA Cc1ccc(NC(=O)CN[C@@H](CO)c2cccc(F)c2)c(C)c1 359524281 WUNSUKJRARKBFU-KRWDZBQOSA-N 316.376 2.704 0 50 DFAA CC[C@@H]1c2cccn2CCN1C(=O)CCC(=O)OC(C)(C)C 253433084 RPTSKIFIIOMOIB-CYBMUJFWSA-N 306.406 2.903 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2[nH]c(C)cc2C)c1 331662128 TXAZWQNSISQIBM-ZBFHGGJFSA-N 314.385 2.588 0 50 DFAA Cc1nn(CC(=O)N2CCCc3cccc(O)c32)c(C)c1Cl 155622767 KZUNUOFKCXCIPI-UHFFFAOYSA-N 319.792 2.838 0 50 DFAA Fc1cnc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 72163911 RNFZLGGTLSJQQA-RCCFBDPRSA-N 324.403 2.682 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CCN[C@H](C)[C@@H]3C)c2)cc1 262742725 FCXJTFQKGQVPLV-CABCVRRESA-N 309.413 2.879 0 50 DFAA c1cn(CCOc2ccc(CN3CCSCC3)cc2)cn1 215150329 FSXBWBPVSBVMET-UHFFFAOYSA-N 303.431 2.511 0 50 DFAA COc1ccc(CC2CCN([C@H](C)c3nncn3C)CC2)cc1 376533523 RWOARVIMCGKZRX-CQSZACIVSA-N 314.433 2.839 0 50 DFAA CC[C@@](CNC(=O)[C@@H]1Cc2ccccc21)(C(=O)O)c1ccccc1 262985491 LHROAGQLVWCIOV-XLIONFOSSA-N 323.392 2.875 0 50 DFAA Oc1n[nH]c(CN2CCC(F)(Cc3ccc(Cl)cc3)CC2)n1 451534249 XLRPUUKVYNSNHW-UHFFFAOYSA-N 324.787 2.711 0 50 DFAA Cn1c(=O)[nH]c2ccc(C(=O)NCC(C)(C)C3CCCC3)cc21 130873224 PONSFXIHPDQIDE-UHFFFAOYSA-N 315.417 2.813 0 50 DFAA O[C@]1(c2c[nH]nn2)CCN(Cc2ccc(-c3ccccc3)cc2)C1 284945300 DRGRRWBCEPWWER-LJQANCHMSA-N 320.396 2.565 0 50 DFAA C[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)c1cccnc1 174729543 IIFISNODXBMDDR-NSHDSACASA-N 310.357 2.567 0 50 DFAA O=C(O)c1cc(Cl)cc(NC(=O)c2cc(C3CC3)[nH]n2)c1 178252467 IINKLMSFWVXXNU-UHFFFAOYSA-N 305.721 2.891 0 50 DFAA CC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 225389062 CEKHRQLCXQGCEK-AEGPPILISA-N 307.415 2.604 0 50 DFAA CC(C)=CC(=O)Nc1cccc(C(=O)OC2CCNCC2)c1 236730249 JDNBPDBLSGXIDT-UHFFFAOYSA-N 302.374 2.500 0 50 DFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2oc(CC)nc2C)C1 91519022 WSPMUYFAFWFMBD-INIZCTEOSA-N 308.378 2.653 0 50 DFAA CC[C@H](NCc1nnc(C)n1CC)c1ccc2c(c1)OCCO2 180617565 HYDQOJJHINDJTO-AWEZNQCLSA-N 316.405 2.619 0 50 DFAA CN(CC1(CO)CCC1)C(=O)Nc1cc(F)c(F)cc1F 97655455 QPBNKNQGGZZVGJ-UHFFFAOYSA-N 302.296 2.730 0 50 DFAA CN1CCC[C@]2(CCN(C(=O)c3cc(F)ccc3Cl)C2)C1=O 91594303 RHNWRTUDRKZTIE-MRXNPFEDSA-N 324.783 2.564 0 50 DFAA Cc1nc(C)c(CC(=O)NC[C@@H]2COc3ccccc3C2)s1 95517078 GHFUNSHPQDVCGJ-CYBMUJFWSA-N 316.426 2.670 0 50 DFAA Cc1nn(C)c2nc(N(C)Cc3ccc4c(c3)OCO4)sc12 95511303 ZSQJNQWETVAOOL-UHFFFAOYSA-N 316.386 2.703 0 50 DFAA Cc1ccc(NC(=O)NC2(c3noc(C)n3)CCCC2)nc1 184275580 XWLKNPVDUYNHJG-UHFFFAOYSA-N 301.350 2.672 0 50 DFAA CN(C)CC[C@H](NC(=O)Cc1cccc(O)c1)c1ccccc1 534588367 CNZUMIZTYNVVMF-SFHVURJKSA-N 312.413 2.744 0 50 DFAA CSCC[C@H](C(=O)Nc1n[nH]c(C2CCC2)n1)n1cccc1 263586948 AAPVVWIJQYJQDU-GFCCVEGCSA-N 319.434 2.807 0 50 DFAA C[C@H](Cn1cccn1)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 827628065 OCAVAUCYDKUZTK-CQSZACIVSA-N 323.400 2.568 0 50 DFAA Nc1ncccc1CNC(=O)Nc1cccc(N2CCCC2)c1 685945158 ZBCHNCXNFGAGKU-UHFFFAOYSA-N 311.389 2.586 0 50 DFAA CC(C)Cc1noc(CN2CCC(O)(c3ccccc3)CC2)n1 185507099 GNXPGCKFOFUJJR-UHFFFAOYSA-N 315.417 2.752 0 50 DFAA O=C(Nc1cnc(Cl)c(F)c1)N1CC[C@@H]2[C@H](C1)C2(F)F 1875296605 FWHCQJODMGEMHO-SFYZADRCSA-N 305.687 2.993 0 50 DFAA C[C@@H](CNC(=O)Cc1cccc(F)c1F)c1ncccc1F 1875308445 GRIKRRCCLLHMCY-JTQLQIEISA-N 308.303 2.961 0 50 DFAA Cc1noc(C)c1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 952972782 JCCUNYVOUQITAU-OAHLLOKOSA-N 315.373 2.508 0 50 DFAA O=C(CC1CC1)NC[C@H]1CCCN(c2nccc3cccnc23)C1 952971378 JXGICXFEMGSQBW-OAHLLOKOSA-N 324.428 2.763 0 50 DFAA O=C1CCCCCN1CCC(=O)N1CCC[C@@H]1c1cccnc1 952972127 ZKRRPFRULFJASV-MRXNPFEDSA-N 315.417 2.538 0 50 DFAA CCOc1cc(C)c(NC(=O)[C@]2(C)CCC(=O)NC2)cc1C 886039447 HCQDKDGMGMHCNA-QGZVFWFLSA-N 304.390 2.557 0 50 DFAA Cc1cc(C)c2ncc(C(=O)N(C)c3cnn(C)c3)c(O)c2c1 164466915 ALJWSMOMZUQBMS-UHFFFAOYSA-N 310.357 2.567 0 50 DFAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1coc2cc(F)ccc12 886727599 FWSZSYPEQHCRBY-AWEZNQCLSA-N 318.348 2.607 0 50 DFAA Fc1ccc2nc(N[C@@H]3CCCN(c4ncccn4)C3)oc2c1 891893535 QPMKPAKETWRUHR-GFCCVEGCSA-N 313.336 2.838 0 50 DFAA CN(C)C(=O)c1ccc(N2CCC[C@@H]2COC(C)(C)C)nc1 895655794 CXROJGRQFZZISK-CQSZACIVSA-N 305.422 2.567 0 50 DFAA CCO[C@@]1(C)C[C@H]1NC(=O)N1CC[C@@H](Cc2nc(C)cs2)C1 1775987213 VRUCVIKSJWFTOT-ZENOOKHLSA-N 323.462 2.593 0 50 DFAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1ccc2cccc(Cl)c2n1 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CCCCc1noc(CN(C)C[C@]2(O)CCc3ccccc32)n1 829303447 WHSSRZSSNBGESS-GOSISDBHSA-N 315.417 2.678 0 50 DFAA COc1cccc(C(=O)N2CCN(c3ccccc3C)CC2)c1 88793 WVZYWBJVRNDJSJ-UHFFFAOYSA-N 310.397 2.966 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H](N)C(C)(C)C)cc2)c1C 2325795603 OZZCEGBZKGRHRW-HNNXBMFYSA-N 300.406 2.801 0 50 DFAA COc1cccc2nc(N3CCc4nc(C)[nH]c4C3)sc12 2325798496 ZGWWCXCYGINUHT-UHFFFAOYSA-N 300.387 2.899 0 50 DFAA Cn1nc(Cn2ccn(-c3ccccc3Cl)c2=O)cc1Cl 2325819408 DFHVLCJDYJUBRO-UHFFFAOYSA-N 323.183 2.728 0 50 DFAA O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)Nc1nc(C2CC2)cs1 929373945 FBWZMMYKSDEGFT-TUAOUCFPSA-N 305.403 2.733 0 50 DFAA COc1cc2nc(N3CCCCCCC3)nc(N)c2cc1OC 110674962 WAPZFJLQUBSROQ-UHFFFAOYSA-N 316.405 3.000 0 50 DFAA Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCCC3)nn12 197092 HBPPEAAQEOKRFE-UHFFFAOYSA-N 306.369 2.941 0 50 DFAA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cccs1 264500 ILHWVHNOPRZLKO-UHFFFAOYSA-N 321.398 2.670 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)cc1 1049094 VGWDTKOWZXUDCA-MRXNPFEDSA-N 320.392 2.937 0 50 DFAA aggregator C[C@H]1CN(C2CC2)CCN1Cc1nnc(-c2cccc(F)c2)o1 2356144677 IRDQCNRQELZDMI-LBPRGKRZSA-N 316.380 2.544 0 50 DFAA Cc1ccc(C[C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 4313958 GEBVZVAHBLWQGG-HNNXBMFYSA-N 323.348 2.815 0 50 DFAA NC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 4704987 WIPDESDUNIFMBU-UHFFFAOYSA-N 320.348 2.956 0 50 DFAA C[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2Cl)C1 6701339 JWYNQNHJYRPKOT-NSHDSACASA-N 304.781 2.793 0 50 DFAA Cn1nccc1C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F 416053572 VMXKUHAJTUBZCV-ZDUSSCGKSA-N 305.328 2.546 0 50 DFAA Cc1nc(CC(C)C)sc1C(=O)N1CC[C@@H](CN(C)C)C1 113455969 SQPXTLKROVCFLM-ZDUSSCGKSA-N 309.479 2.674 0 50 DFAA C[C@@H]1CN(CCOCCOc2ccc3c(c2)CCC3)C[C@@H](C)O1 20652881 AVOMUMFHTXAGQU-HZPDHXFCSA-N 319.445 2.680 0 50 DFAA Cc1cncc(CCC(=O)N2CCCCC[C@@H]2c2ncon2)c1 346407229 UUJDLTDHLAXTJG-OAHLLOKOSA-N 314.389 2.850 0 50 DFAA Cc1cc(N)c(I)c(Br)c1 67796556 VOZOVIFHGBMWLX-UHFFFAOYSA-N 311.948 2.944 0 50 DFAA Cn1c(-c2ccc([C@@H]3NCCc4[nH]cnc43)o2)nc2ccccc21 67974904 GTCUPRNLYDVGLY-KRWDZBQOSA-N 319.368 2.792 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2ccc(NC3CCC3)nc2)C1 20208402 OQJFRTYCCKSTGY-CYBMUJFWSA-N 303.406 2.545 0 50 DFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 252476753 AXJPRLXOIJSVFG-QSPRXWTASA-N 318.417 2.601 0 50 DFAA CC1(C)[C@@H](C(=O)NCCc2ccccc2)CC[C@@]1(C)C(=O)O 47709 ZWXYBYIPWGXZFF-KDOFPFPSSA-N 303.402 2.872 0 50 DFAA O=C(NC1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 281884485 UDQCYOGURXOCQF-SMDDNHRTSA-N 312.772 2.813 0 50 DFAA COc1ncc(Cl)c(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 253396710 QGNYFLLYCLUIGI-RAIGVLPGSA-N 311.813 2.659 0 50 DFAA C[C@H](C(=O)NCC(=O)O)c1ccc(-c2ccccc2)c(F)c1 6764357 GGJPXNNKVFGSGZ-NSHDSACASA-N 301.317 2.797 0 50 DFAA biogenic CSC[C@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1 253430322 FFLZPKMNDIKTRJ-UONOGXRCSA-N 313.438 2.640 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)NCCCN2CCCC2)c(C)c1 72117409 XCFUNSNHQHKTSD-MRXNPFEDSA-N 304.434 2.673 0 50 DFAA COc1cccc(N2CCC(N[C@H]3CCCC[C@@H]3O)CC2)c1 363787913 JVRTYNNVAGMBHP-ROUUACIJSA-N 304.434 2.557 0 50 DFAA Cc1ccsc1CN(C)C(=O)c1ccccc1-n1cncn1 71422305 RCMVDSHHBSEFKZ-UHFFFAOYSA-N 312.398 2.909 0 50 DFAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC1Cc2ccccc2C1 39360368 KVWNTLBUBAQRCI-KRWDZBQOSA-N 308.429 2.677 0 50 DFAA CCCOc1ccc(CCC(=O)N2CC[C@H](N)C[C@H]2C)cc1 236795322 ARECACCOALSPEN-ZBFHGGJFSA-N 304.434 2.746 0 50 DFAA Cc1c[nH]c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1=O 71422487 XIOKYKMCUXDJBU-QGZVFWFLSA-N 316.376 2.704 0 50 DFAA CC(C)c1ccc(C(=O)NCc2nnc(S)n2C(C)C)cn1 158012186 JWZVZPNFFUZJCT-UHFFFAOYSA-N 319.434 2.596 0 50 DFAA O=C(Nc1nc(C2CCC2)cs1)N[C@@H]1CC[C@@H]2CNC[C@H]2C1 333346844 QTQHYMIKPMPYKB-JHJVBQTASA-N 320.462 2.920 0 50 DFAA Cc1cc(C)nc(CCNc2cc(C)nc3c(C)c(C)nn23)n1 72477548 XDRHEZQFGIHQQS-UHFFFAOYSA-N 310.405 2.716 0 50 DFAA Cc1cc2cc(CNC(=O)N3C[C@@H]4[C@@H](C3)[C@H]3C=C[C@H]4O3)ccc2[nH]1 334093693 PTQCITQSROZJGU-JOCBIADPSA-N 323.396 2.571 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)Nc2noc(-c3ccco3)n2)c1 131020912 POONLSYDBVTDJD-UHFFFAOYSA-N 323.305 2.578 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3n2)C1 379278963 PUXLLYBMBVOAIW-SMDDNHRTSA-N 323.318 2.729 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N[C@@H]2CCSC2)C1 130212793 WKEAIDRPSZANEU-YNEHKIRRSA-N 300.468 2.917 0 50 DFAA C[C@@](O)(C(=O)NCc1ccc(OC2CCCC2)cc1)C1CC1 286075681 JIEXMNDTZXIADM-SFHVURJKSA-N 303.402 2.785 0 50 DFAA CCc1csc(CC(=O)N(C)Cc2cnc(C(C)C)nc2)n1 338265687 AVISUGRYGZRKQM-UHFFFAOYSA-N 318.446 2.820 0 50 DFAA Cc1cc(CN2CCC(CO)(CN3CCCC3)CC2)ccc1F 222329698 UITNIFDPEHFMJX-UHFFFAOYSA-N 320.452 2.804 0 50 DFAA CC1(C)CN(Cc2ccc(C(=O)O)cc2)C[C@H](C(F)(F)F)O1 263440098 WDHUCDURPOMAJU-GFCCVEGCSA-N 317.307 2.927 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(C(C)=O)cc2)C1 178043996 OYSSFDNPCAEJTQ-WCJKSRRJSA-N 321.442 2.699 0 50 DFAA CCc1nc(NCCCN2CCOCC2)c2cc(C)sc2n1 41090649 BMFJKAXMQLNXBQ-UHFFFAOYSA-N 320.462 2.696 0 50 DFAA Cc1[nH]c2c(CN(CCO)Cc3nccn3C)cccc2c1C 223357979 CVBXNWLDPNDAKQ-UHFFFAOYSA-N 312.417 2.513 0 50 DFAA O=C(c1ccccc1-c1ncc[nH]1)N1CCC(c2ncc[nH]2)CC1 97660447 OSVYCSNPTPUHKI-UHFFFAOYSA-N 321.384 2.820 0 50 DFAA Cc1cc(C(F)(F)F)cc(=O)n1[C@H](C)C(=O)N1CCCCC1 95377852 JUGWZWCCSVQUKJ-LLVKDONJSA-N 316.323 2.749 0 50 DFAA Cc1ncc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)c(C)n1 91951960 ZXANFQXIRXNOGD-MRXNPFEDSA-N 316.449 2.574 0 50 DFAA Cc1ccccc1[C@@H](C(=O)N(C)Cc1cccc(O)c1)N(C)C 95512268 XAVYPKJFJMHELN-SFHVURJKSA-N 312.413 2.962 0 50 DFAA C[C@H]1CN(C(=O)NCc2c(F)cccc2Cl)C[C@@H](C)O1 346746550 ARELFRFQATVPEP-AOOOYVTPSA-N 300.761 2.798 0 50 DFAA Cc1cccc(N2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)c1 299766959 FJERQZRULQHFBR-MRXNPFEDSA-N 324.428 2.658 0 50 DFAA COc1ccc(NC(=O)CC(C)C)cc1-n1nnnc1C1CC1 268030324 YRGXQVKXGSIOGA-UHFFFAOYSA-N 315.377 2.533 0 50 DFAA Cc1ccc2nc(CNC(=O)c3c(C4CC4)n[nH]c3C)[nH]c2c1 825206890 VSXXAOBDJYEXFE-UHFFFAOYSA-N 309.373 2.710 0 50 DFAA O=C(c1ccccc1)[C@@H](O)NC(=O)C12CC3CC(CC(C3)C1)C2 585152287 KOHZYMNFMNQTGZ-DUKHMXAISA-N 313.397 2.520 0 50 DFAA c1cncc(-c2nc3ccccc3c(=NCC34COC(C3)C4)[nH]2)c1 1875299204 CVDYXZBRDNKEPY-UHFFFAOYSA-N 318.380 2.705 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@H](c2cccs2)C2CC2)CC1 1875370284 ITYUSEVZTZAIJB-INIZCTEOSA-N 318.442 2.740 0 50 DFAA CC(=O)NC1(c2ccc(OC[C@H]3C[N@@]3CC(C)C)cc2)CC1 1875385476 UFIGEHJXHIZZPP-OXQOHEQNSA-N 302.418 2.531 0 50 DFAA CCCN1C[C@@H](NCc2cc3c(cc2OCC)CCC3)CC1=O 952988822 QBOYXEDSDOASLH-KRWDZBQOSA-N 316.445 2.675 0 50 DFAA Cc1cc(F)cc(C(=O)Nc2c(C)nn(CCC(=O)O)c2C)c1 630333475 ZLCJUWLYHUVJLU-UHFFFAOYSA-N 319.336 2.674 0 50 DFAA CN(C)C(=O)Sc1cccc(NC(=O)C[C@@H]2CCC[C@H]2O)c1 1775997962 QDKMBHWGIADTDF-SMDDNHRTSA-N 322.430 2.950 0 50 DFAA CCC[C@H]1CN(C(=O)c2nc3cc(F)ccc3[nH]2)C[C@@H]1N(C)C 1565512650 ZOEUCSSAFZGDKO-NHYWBVRUSA-N 318.396 2.504 0 50 DFAA Cc1cc(Br)cc(S(=O)(=O)NC(C)(C)C)c1 38537052 WGWNVSIFKNXRQV-UHFFFAOYSA-N 306.225 2.834 0 50 DFAA in-vitro COc1cc(Cl)c(I)cc1C(=O)O 95642787 BXULZZPLSJNDTQ-UHFFFAOYSA-N 312.490 2.651 0 50 DFAA in-vitro CCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(O)c1 170623987 DKUAHHNIXQWUMJ-UHFFFAOYSA-N 307.371 2.900 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)Nc3cn(C)nc3C)C2)cc1 189695506 HIEWGTFGPBCDIU-AWEZNQCLSA-N 314.389 2.759 0 50 DFAA O=S(=O)(NCc1ccoc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 585115526 FEMVREOCAQUUFS-WDEREUQCSA-N 311.325 2.820 0 50 DFAA CCCc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)N(C)C)C3)o1 1073302321 JQERWMJUSJDNKV-GJZGRUSLSA-N 319.449 2.810 0 50 DFAA CCN1CC[C@H](Sc2n[nH]c(/C=C/c3ccc(C)o3)n2)C1=O 657243522 WOCZPKFMFQGOOE-SYTKJHMZSA-N 318.402 2.589 0 50 DFAA COc1ccc(C(=O)O)cc1-c1cc(C(=O)O)ccc1OC 199618525 UVKMCJMFEOUORW-UHFFFAOYSA-N 302.282 2.767 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(C)c(Cl)c3)C[C@H]2O)n[nH]1 1529192407 VHGQJQXQWAWWRU-RHSMWYFYSA-N 319.836 2.715 0 50 DFAA CC(C)(N)c1nnc(NCc2ccccc2C(F)(F)F)o1 1704325669 RMQVGTOYMJVCTD-UHFFFAOYSA-N 300.284 2.894 0 50 DFAA COc1cc(Cl)c(Cl)cc1C(=O)NCc1cocn1 674091062 SVYDKJHVYDWKOA-UHFFFAOYSA-N 301.129 2.920 0 50 DFAA Cc1cc(CC(=O)NC[C@@H]2CC(C)(C)Oc3ccccc32)on1 1615053418 SJHCXHIDNCUCAB-ZDUSSCGKSA-N 314.385 2.987 0 50 DFAA C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1nnn(C(C)(C)C)n1 1615548003 HQIVSXLSBOSQBD-SECBINFHSA-N 319.796 2.673 0 50 DFAA Clc1cncc(CN2CCCC[C@H]2CCn2ccnn2)c1 1616034725 MPHNUWORNNLZBF-HNNXBMFYSA-N 305.813 2.771 0 50 DFAA O=C(C[C@@H]1SCCNC1=O)Nc1cc(Cl)ccc1Cl 5349067 FHIRCVLMAKVGLQ-JTQLQIEISA-N 319.213 2.554 0 50 DFAA CSCCCN1C(=O)CC[C@H]1CCNCc1ccccc1 12280110 JEZYHDKCSGMOOY-INIZCTEOSA-N 306.475 2.910 0 50 DFAA CC(C)N1CC(=O)N(C(C)C)C[C@@H](OCc2ccc(F)cc2)C1 14744181 XWQWQUGYUMOHOR-KRWDZBQOSA-N 322.424 2.672 0 50 DFAA CC[C@@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 18254702 YDQXKUIJRYVUKA-QGZVFWFLSA-N 309.413 2.924 0 50 DFAA CCCCc1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1 1857668920 SAEKALSKWAIONI-RBUKOAKNSA-N 303.446 2.860 0 50 DFAA Cc1cc(N2CC[C@H](OC(F)F)C2)nc(-c2ccncc2)n1 606443758 DPTZCYLQPJRCFH-LBPRGKRZSA-N 306.316 2.665 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](O)C(C)(C)C3)n[nH]2)c(C)c1 408266837 UHGYTAMZMHMPFL-MRXNPFEDSA-N 313.401 2.536 0 50 DFAA CC(C)[C@@H](O)C(=O)N1CCC(c2nc3c(s2)CCCC3)CC1 331437174 BDUPIBFFBUHNTF-OAHLLOKOSA-N 322.474 2.745 0 50 DFAA COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(CN)o3)C2)cc1 237378671 WSHPGDLRBZJETF-JSGCOSHPSA-N 314.385 2.765 0 50 DFAA C[C@H](CN(C(=O)[C@H]1C[C@H]1c1ccccc1F)C1CC1)C(=O)O 252585625 JYJWGZUPRYRRQL-SWHYSGLUSA-N 305.349 2.641 0 50 DFAA C[C@@H](CC(N)=O)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 253405069 HBEQTNLZPBFYPU-LSDHHAIUSA-N 324.424 2.835 0 50 DFAA C[C@H]1CN(C(=O)Cc2ccc(F)cc2)c2ccccc2C(=O)N1 367502209 GQVLMMAIMDXZFW-LBPRGKRZSA-N 312.344 2.533 0 50 DFAA Cc1nnc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)s1 585090628 DPGURYVASBNDEW-LLVKDONJSA-N 310.810 2.741 0 50 DFAA NC(=O)c1cccc(CNC(=O)c2[nH]ccc2-c2ccccc2)c1 1136134767 BAAZSKCPGYLWER-UHFFFAOYSA-N 319.364 2.711 0 50 DFAA O=C(NCc1cccnc1)c1c[nH]c2c(Cl)cccc2c1=O 13689613 AUQQUPYQVYHUNW-UHFFFAOYSA-N 313.744 2.507 0 50 DFAA C[C@]12CC[C@@]3(C)OCC(COC(=O)Nc4ccccc4)(CO1)N23 19931952 FOARHEYXZRYCDR-HZPDHXFCSA-N 318.373 2.563 0 50 DFAA Cc1ccc2[nH]cc(CC(=O)N3CC(c4cc(C)on4)C3)c2c1 2325791401 VWQPUAUWUICDQR-UHFFFAOYSA-N 309.369 2.941 0 50 DFAA CCN1CCN(c2ncnc3ccc(Br)cc23)CC1 122268 QRIYSXNSZBAVNJ-UHFFFAOYSA-N 321.222 2.534 0 50 DFAA COc1cccc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 454753 HGKGAYZYMVNJJA-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)C[C@H](C)O1 456977 DTCOTJYVYOSXAV-QWRGUYRKSA-N 312.207 2.627 0 50 DFAA CCCCCCOc1ccc([C@@H](CC(=O)NC)C(=O)O)cc1 3152892 RDQXKMLNVLAQBB-OAHLLOKOSA-N 307.390 2.950 0 50 DFAA Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3nccs3)CC2=O)c1 4385111 QAMAFRTYCXVGQV-LBPRGKRZSA-N 315.398 2.752 0 50 DFAA Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F 6706965 RRLCOJIZUCBCHS-UHFFFAOYSA-N 300.742 2.983 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)[nH]1 225539874 KWTKFNXZDJRHOH-LSDHHAIUSA-N 302.349 2.719 0 50 DFAA Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)c1 9096489 GPHZWCJWXKSTEU-HNNXBMFYSA-N 323.396 2.998 0 50 DFAA Cc1ccc(C)c(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10315254 KUWASUARNRSXPB-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA CCCN1C[C@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)CCC1=O 102617768 QGNLTNBDBMRYCC-DRRXZNNHSA-N 318.461 2.672 0 50 DFAA CCCn1ncc(C(=O)NC[C@@H]2OCCc3ccccc32)c1C 65381858 JKDHACGESIXQOO-KRWDZBQOSA-N 313.401 2.645 0 50 DFAA CC(C)n1ncnc1CNC(=O)c1cncc(-c2ccccc2)c1 349861021 MJTMIVJNCJMERV-UHFFFAOYSA-N 321.384 2.851 0 50 DFAA CC(=O)c1ccc(C(=O)NCCc2ccc3c(c2)CCO3)cc1 172146070 ICLJKPVURHDJQA-UHFFFAOYSA-N 309.365 2.797 0 50 DFAA CN(C)Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1 11711976 OOUYNDNKVVOEID-SFHVURJKSA-N 320.477 2.752 0 50 DFAA CCOC(=O)COc1ccc2c(c1)c(C(=O)OCC)c(C)n2C 96587 QIUFTZOTLCFLRW-UHFFFAOYSA-N 319.357 2.605 0 50 DFAA biogenic C[C@@H]1CN(Cc2ncnn2C(C)(C)C)[C@@H](c2ccccc2)CO1 253392758 UZNMJCIOAZVOPJ-GDBMZVCRSA-N 314.433 2.995 0 50 DFAA O=C(c1ccnn1CC(F)F)N1CCS[C@@H]2CCCC[C@H]21 253432033 WBNNAGKUGMRVKZ-ZYHUDNBSSA-N 315.389 2.648 0 50 DFAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(CN)o1 237536495 OOIUPSKEBLSTDM-XNJGSVPQSA-N 314.385 2.729 0 50 DFAA Cc1nccnc1N1CCN([C@@H](C)c2nc3ccccc3o2)CC1 374141503 HXBFPLINQGSZJS-AWEZNQCLSA-N 323.400 2.809 0 50 DFAA Cn1cc([C@H](O)C[C@H]2CCCN2Cc2ccc(F)c(F)c2)cn1 374308970 LCPOUZZGXPDCTQ-RHSMWYFYSA-N 321.371 2.786 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)CCc1ccc(C(F)(F)F)cc1 238063744 RLJKXLXWMCHHPC-LBPRGKRZSA-N 315.291 2.714 0 50 DFAA FC(F)(F)[C@H]1CCC[C@H](NCCn2cnnc2C2CC2)C1 129977671 UQRLJWDEFSNRJJ-RYUDHWBXSA-N 302.344 2.866 0 50 DFAA O=C(COc1cccc(F)c1)N[C@@H]1COC2(CCCCC2)C1 426382722 NIALDMPJPPUBHL-AWEZNQCLSA-N 307.365 2.813 0 50 DFAA Cc1cccc(NC(=O)COc2ccccc2-c2nc(C)no2)n1 46012446 VQMNZOQGMARFIL-UHFFFAOYSA-N 324.340 2.766 0 50 DFAA Cc1ccc(CN2CCC[C@H](c3ccn(CC(=O)O)n3)C2)s1 426545457 ZIOKNMDEJAGGSD-ZDUSSCGKSA-N 319.430 2.717 0 50 DFAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)CCCC(=O)O 426489389 QYVGCWPMOBIMKR-LBPRGKRZSA-N 315.373 2.851 0 50 DFAA CCOCc1nc(C2CCOCC2)nn1Cc1ccccc1 97743129 SFVDESZRWACQMD-UHFFFAOYSA-N 301.390 2.757 0 50 DFAA CCOC[C@H]1CCCN1C(=O)C1CCN(Cc2ccco2)CC1 95370273 IPCXUGKOTCYULG-MRXNPFEDSA-N 320.433 2.519 0 50 DFAA Cc1n[nH]c(C)c1CCn1cc([C@H]2CCOC(C)(C)C2)nn1 91651207 BMVGIVVEECAJAU-ZDUSSCGKSA-N 303.410 2.533 0 50 DFAA CC[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ncnn1CC 92028446 JEHOEWXFSDSXFE-AWEZNQCLSA-N 324.388 2.569 0 50 DFAA CNN1C(=O)[C@](CCCN(C)C)(c2ccccc2)c2ccccc21 96027489 JMRKRGIXTRVSNC-HXUWFJFHSA-N 323.440 2.796 0 50 DFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 91849246 FHXYDWBZWDLNMU-DZGCQCFKSA-N 305.447 2.532 0 50 DFAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)C1CCCCCC1 244875090 XMKPESXNPVAUIQ-UXLLHSPISA-N 302.418 2.980 0 50 DFAA C[C@@H](c1ccc(-c2cc(C(=O)O)n(C)c2)cc1)N1CCOCC1 534653378 KIIFYXLXRKAOIW-ZDUSSCGKSA-N 314.385 2.784 0 50 DFAA COCC1(NC(=O)c2cccc(-c3cncnc3)c2)CCCC1 299775922 MGXPDLLWGAZZDN-UHFFFAOYSA-N 311.385 2.833 0 50 DFAA C[C@H](NC(=O)c1nc(N)nc2c1CCCC2)C1=CCCCC1 827587311 DFSKRGBBJXRJFF-NSHDSACASA-N 300.406 2.556 0 50 DFAA CC[C@@H](c1cn2cccnc2n1)n1cnc2cc(C)ccc2c1=O 584891928 BFLRRCRSURCNMT-INIZCTEOSA-N 319.368 2.747 0 50 DFAA Cc1cc(F)ccc1N1CCC(N[C@@H](C)c2nncn2C)CC1 584896252 GEJMHQSVWIRTEX-ZDUSSCGKSA-N 317.412 2.582 0 50 DFAA CC(C)(C)c1noc(CN2CCC(O)(c3ccccc3)CC2)n1 185490040 JIDFDSFECSDBMN-UHFFFAOYSA-N 315.417 2.851 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)n1C 1604680623 ZXDAFZGCNRSISE-OCCSQVGLSA-N 312.369 2.742 0 50 DFAA CC(C)c1ccc(-c2nc(C(=O)NC[C@@H](F)CO)cs2)cc1 1875353991 NHICZADJKALBIA-CYBMUJFWSA-N 322.405 2.994 0 50 DFAA C[C@H](C(=O)N1CCC[C@H](NC2CCOCC2)C1)c1ccccc1 877871921 XNOXZBMFTTWDEN-YJBOKZPZSA-N 316.445 2.550 0 50 DFAA Cn1cc(-c2nc3n(c2NC(=O)C2CC=CC2)CCCC3)cn1 889842665 HCSMFFIDOQZSHV-UHFFFAOYSA-N 311.389 2.525 0 50 DFAA O=C(Nc1nc(C2CC2)ns1)N1C[C@H]2C[C@]2(C(F)(F)F)C1 1776007363 MXBDNCNRLYLIMY-HQJQHLMTSA-N 318.324 2.832 0 50 DFAA CCCNC(=O)CCCN1Cc2ccc(O)cc2C2(CC2)C1 411746752 UHYZLZYBSAIUPH-UHFFFAOYSA-N 302.418 2.546 0 50 DFAA Cc1cccc([C@H]2CCCN2S(=O)(=O)c2ccnn2C)c1C 274204620 UDSQQGDDZCHRFI-OAHLLOKOSA-N 319.430 2.563 0 50 DFAA CN1C(=O)CCN(C(=O)c2coc(C3CC3)n2)c2ccccc21 681599158 MCIBZNUEUXBJAM-UHFFFAOYSA-N 311.341 2.565 0 50 DFAA COC(=O)c1ccc(NC(=O)NCCC(C)C)c(N(C)C)c1 170612029 KZHWVJXBUALGBJ-UHFFFAOYSA-N 307.394 2.707 0 50 DFAA CC[C@H]1c2cccn2CCN1C(=O)c1c[nH]c(=O)c2ccccc12 170605139 UDVCHHMRMLFGAX-INIZCTEOSA-N 321.380 2.937 0 50 DFAA CCC1(CC)[C@@H](NC(=O)c2cn3ccnc3s2)C[C@H]1OC 188526834 AWMDBWNCJNHBQH-NWDGAFQWSA-N 307.419 2.719 0 50 DFAA CC1(C)CN(C(=O)c2ccc(N)nc2)CC[C@@H]1C(F)(F)F 638322637 ZEEVGLFRMUCLKU-JTQLQIEISA-N 301.312 2.714 0 50 DFAA Cc1ccc(SC[C@H](C)NC(=O)NC[C@H]2CC[C@H](O)C2)cc1 191465859 SWKXMPSZBBRTQG-KKUMJFAQSA-N 322.474 2.936 0 50 DFAA O=C(C1=COCCO1)N(Cc1ccsc1)c1cccnc1 193495132 NHVRKUZDERFTAF-UHFFFAOYSA-N 302.355 2.565 0 50 DFAA Cc1cc(NC(=O)NCC(F)(F)c2cccc(F)c2)nn1C 666418525 AMSMDRWNXDNPIS-UHFFFAOYSA-N 312.295 2.781 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CC[C@]1(C)O 215465756 OCXHRUSCALBZEB-DYVFJYSZSA-N 306.406 2.811 0 50 DFAA CC(C)CCCNC(=O)c1cnn2c1NCC[C@@H]2C(F)(F)F 1615586169 JSTCOZCSBGSNGY-LLVKDONJSA-N 318.343 2.968 0 50 DFAA Cc1csc(Cl)c1C(=O)NC[C@H](CO)c1cccnc1 1615541907 VGQIHFICQSJHAA-LLVKDONJSA-N 310.806 2.611 0 50 DFAA CC1(C)COc2c(CN3C[C@H]4C[C@@H](O)[C@H]4C3)cc(Cl)cc21 1772711693 JFJPUYAVTTWUPG-RIEGTJTDSA-N 307.821 2.823 0 50 DFAA CN1CC[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]2C1=O 1775980703 HTANLNZOLNSFTA-WBVHZDCISA-N 300.446 2.894 0 50 DFAA O=C(O)c1c(N[C@H]2CC[C@H](O)CC2)noc1-c1ccccc1 1772702892 YADKMTZNGBEDBI-HAQNSBGRSA-N 302.330 2.755 0 50 DFAA CC(C)(C)NC(=O)NCc1nc(-c2ccc(Cl)cc2)no1 5450795 VVYLDHIBVMIJCG-UHFFFAOYSA-N 308.769 2.988 0 50 DFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 4551701 BIZMMICAXDMOKO-XYOKQWHBSA-N 305.355 2.594 0 50 DFAA COc1cnc(C)cc1C(=O)N(C)CCn1cnc2ccccc21 1857672000 CGVJWWWHPUYXKC-UHFFFAOYSA-N 324.384 2.521 0 50 DFAA COc1c(C)cc(C)cc1CN1C[C@@H]2CCCN2C(=O)[C@@H]1C 1857686627 AEKJTJAJHBVTHI-HOCLYGCPSA-N 302.418 2.507 0 50 DFAA CCN1CCC[C@H](c2nccn2-c2c(C)nn(CC)c2C)C1 1857690798 LVQJTPAHMQUFNK-HNNXBMFYSA-N 301.438 2.905 0 50 DFAA C[C@H]1CN(C(=O)Nn2cnc3ccccc32)Cc2ccccc2O1 814270760 AICIUDZMDRETRR-ZDUSSCGKSA-N 322.368 2.983 0 50 DFAA Cn1nc(-c2ccc([C@H]3CNC(=O)C3)cc2)c2cc(F)ccc21 1875243385 FLLISOFVPXJVIE-CYBMUJFWSA-N 309.344 2.983 0 50 DFAA C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)s2)CCN1 420185443 BSKYGXNNOBUUAE-SNVBAGLBSA-N 308.838 2.580 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 238856608 WLUQQFKZSRXZQV-FZZIBODNSA-N 309.312 2.823 0 50 DFAA in-vitro COC(=O)Cc1occc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 241132788 JLPCBVGRBKHUHR-SECBINFHSA-N 323.295 2.764 0 50 DFAA COC[C@H]1CN(Cc2nc(-c3ccsc3)oc2C)CCO1 357732125 RKZDXKZPZKHZTG-CYBMUJFWSA-N 308.403 2.559 0 50 DFAA O=C1N[C@@H](c2nc(-c3ccc(Br)cc3)no2)CCO1 585133234 BUKSJLLGHVKYQS-SECBINFHSA-N 324.134 2.670 0 50 DFAA CC1CCC(O)(Cn2cnc3cc(Cl)ccc3c2=O)CC1 266491724 VPZBZGFBVHMCNO-UHFFFAOYSA-N 306.793 2.991 0 50 DFAA O=c1cc(CN2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c2ccc(O)cc2o1 815160766 MHNDWTGGHFEADY-SYWGBEHUSA-N 311.381 2.977 0 50 DFAA c1ccc(Cn2cc(CNc3nnc(C4CCCC4)o3)nn2)cc1 902157219 NMVOATNXUPVYPC-UHFFFAOYSA-N 324.388 2.979 0 50 DFAA O=C(NC[C@@H]1CCC12CCOCC2)c1cc2ncccc2o1 828452838 XAJHEZJLHMRJOY-LBPRGKRZSA-N 300.358 2.764 0 50 DFAA O=C(Nc1cscc1Br)N1CCC(CO)CC1 606444411 KZKFNYDKJUKTAA-UHFFFAOYSA-N 319.224 2.747 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1C 4744707 CSXHEHWAXZXHGG-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA COc1ccc(C(=O)Sc2nnnn2-c2ccccc2)cc1 90505 DFEQWJSSNUQYAJ-UHFFFAOYSA-N 312.354 2.603 0 50 DFAA Cc1cccc2c(=O)cc(C)n(CC(=O)NCc3ccccc3)c12 460053 DWDIKBHVXPOHSF-UHFFFAOYSA-N 320.392 2.935 0 50 DFAA COc1cccc(OC)c1C(=O)NCCc1ccc(F)cc1 2883519 KEMVPXVMCQVCEY-UHFFFAOYSA-N 303.333 2.815 0 50 DFAA biogenic CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)=O)cc2)C1 246383215 OYSSFDNPCAEJTQ-MCFFVMPBSA-N 321.442 2.699 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 4700930 ASFOMIVQNVWJJQ-CYBMUJFWSA-N 304.434 2.879 0 50 DFAA aggregator Cc1ccc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2)cc1 4842686 WKFUGCAKLRSQGN-AWEZNQCLSA-N 317.410 2.646 0 50 DFAA CCCCOc1ccccc1-c1nnc(SCC(=O)O)[nH]1 6359802 UJGUCMLMFCQGTG-UHFFFAOYSA-N 307.375 2.827 0 50 DFAA CCc1nsc(N[C@@H](c2ccccc2)c2nnc(C)n2C)n1 225543250 CWHTXOJVWSQZEZ-ZDUSSCGKSA-N 314.418 2.739 0 50 DFAA CC[C@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccco2)CC1 8246454 PNQYQVMATIAHFJ-HNNXBMFYSA-N 318.417 2.923 0 50 DFAA CC(C)(C)[C@@H](O)CN1CCN(c2ccnc3ccccc23)CC1 344424045 SSHCYZWXUNHOGS-SFHVURJKSA-N 313.445 2.764 0 50 DFAA C[C@@H](NCCC(=O)Nc1nnc(C2CC2)s1)c1ccco1 65507650 DYPMERUFKVWOKA-SECBINFHSA-N 306.391 2.688 0 50 DFAA COC(=O)CCN1CCO[C@@H](Cc2cccc3ccccc23)C1 71552313 KSIPWSWZRQODLY-KRWDZBQOSA-N 313.397 2.646 0 50 DFAA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc2oc(=O)n(C)c2c1 65408547 KSJZIGFDCRIHNU-TZMCWYRMSA-N 312.369 2.867 0 50 DFAA Cn1ccnc1-c1csc(NC(=O)CCc2ccoc2)n1 119200256 DSPGDDQFYDKLAT-UHFFFAOYSA-N 302.359 2.708 0 50 DFAA CC[C@H](C(=O)Nc1ccc(Cl)cc1)n1nc(C)ccc1=O 67604189 QIUYHOCHIVZEBW-CYBMUJFWSA-N 305.765 2.795 0 50 DFAA O[C@@H]1CCN(Cc2c[nH]nc2-c2cccnc2)Cc2ccccc21 364944298 QDHJGRVVMCYGQH-GOSISDBHSA-N 320.396 2.911 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CCO)c2)c1 313148962 MHBVNWYHQXVQOI-UHFFFAOYSA-N 305.399 2.639 0 50 DFAA COC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 1431423 MSJWDBJDTUHEGA-UHFFFAOYSA-N 309.321 2.790 0 50 DFAA O=C(Nc1cnn(CC(F)(F)F)c1)c1noc2c1CCCC2 2808760 SFPPZBMTCUPXAA-UHFFFAOYSA-N 314.267 2.565 0 50 DFAA C[C@@H]1Oc2c(C(=O)N[C@H]3CCc4nccn4C3)cccc2[C@H]1C 253478183 JQDPNCJNOJTHKC-AVGNSLFASA-N 311.385 2.512 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c2ccccc21 328618689 DXJBXCUCBLCLGB-ISTRZQFTSA-N 311.385 2.648 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2cccc3cccnc23)cnn1C 328638431 WIXVBQXCJDMKKV-PKOBYXMFSA-N 322.412 2.897 0 50 DFAA COC(=O)c1nc(CCN(C)C(C)=O)sc1-c1ccccc1 122827527 YUUIBKNSLPLDQH-UHFFFAOYSA-N 318.398 2.618 0 50 DFAA CC(C)c1nc(CCNC(=O)CCC(=O)c2ccccc2)no1 219965730 QPSJNGLUIFEKEW-UHFFFAOYSA-N 315.373 2.515 0 50 DFAA CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1c(C)nn2C 72115715 UZNZDIIYSFGWDA-LBPRGKRZSA-N 315.373 2.610 0 50 DFAA CNC(=O)c1ccc(CN2CCC[C@H](O)c3ccccc32)cc1 368622842 ODDUYNVVXVQQJU-SFHVURJKSA-N 310.397 2.880 0 50 DFAA COC[C@@H]1CCCN(C(=O)NCc2cccc(OC)c2)CC1 454363452 OHALTEMPTANCAW-CQSZACIVSA-N 306.406 2.653 0 50 DFAA CN(C)Cc1csc(CN2CCN(c3cccnc3)CC2)c1 215116192 HTZKMBOIZKCBDQ-UHFFFAOYSA-N 316.474 2.527 0 50 DFAA Cc1cc(C(=O)NCc2ccc(C(=O)O)o2)c(C)n1C(C)C 262202415 WGQIARTYUFBDTD-UHFFFAOYSA-N 304.346 2.907 0 50 DFAA c1cn(-c2ccc3[nH]ccc3c2)c(-c2cc3n(n2)CCCNC3)n1 72411620 MXIIQOGTWQMWQD-UHFFFAOYSA-N 318.384 2.710 0 50 DFAA COCc1ccccc1S(=O)(=O)Nc1cc(C(C)(C)C)no1 241231082 KRUOWSRFUWCITR-UHFFFAOYSA-N 324.402 2.919 0 50 DFAA CC(C)c1noc([C@H](C)N2CCC[C@H](N3CCCC3=O)CC2)n1 333979825 BFGCIGQYAOZWAE-KBPBESRZSA-N 320.437 2.731 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 237653739 YMWXEEKMFHHQLG-FYCOFBDGSA-N 316.382 2.633 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](C(=O)O)C3)cc2c1C 237857098 JFOUEMYITPQCNE-GFCCVEGCSA-N 300.358 2.722 0 50 DFAA O[C@@]1(C(F)(F)F)CCN(c2nc(-c3ccccc3)ns2)C1 173986271 WASPXEHXVOKGFX-LBPRGKRZSA-N 315.320 2.709 0 50 DFAA Cc1ccc([C@@H](C)N(C)C(=O)NCc2cc(C)nn2C)cc1 284312303 VCRDMWPGCXHWJA-CQSZACIVSA-N 300.406 2.940 0 50 DFAA Cc1csc([C@H]2CN(C[C@@H](O)c3cccc(F)c3)CCO2)n1 222187865 QXWOPMFENVOJCN-HUUCEWRRSA-N 322.405 2.698 0 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O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1c1cn[nH]c1 154807582 XYCLBVJGWKLQCT-HNNXBMFYSA-N 305.328 2.984 0 50 DFAA CN1CC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 155413364 IGDXXJGMILVEHN-SNVBAGLBSA-N 317.311 2.658 0 50 DFAA O=C(CN1CCOCC1)N1Cc2ccccc2-c2ccccc2C1 156133055 UEQKENZSFZXYGJ-UHFFFAOYSA-N 322.408 2.528 0 50 DFAA c1cc2c(cc1CCN1CCOC3(CCCC3)C1)OCCO2 170593888 VXYDQPLRGRIPOD-UHFFFAOYSA-N 303.402 2.645 0 50 DFAA CCCNc1ccccc1NC(=O)Cn1c(C)c(C)sc1=O 190149421 BKSDPNDNEROHBX-UHFFFAOYSA-N 319.430 2.987 0 50 DFAA Cc1cc(C)c(N2CC[C@H](NC(=O)c3ccco3)C2=O)c(C)c1 190581253 BBEPUPZFMTYPQK-AWEZNQCLSA-N 312.369 2.740 0 50 DFAA CCO[C@H]1C[C@@](NC(=O)c2cc(C)ccc2F)(C(=O)O)C1(C)C 193034000 JLCRPQDTRKPLGJ-SUMWQHHRSA-N 323.364 2.522 0 50 DFAA C[C@@H](O)C1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194275892 WWOHKGFRHAGPMG-SNVBAGLBSA-N 305.403 2.921 0 50 DFAA CCNC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)cn2C)c1 194519635 VHENLKQYSKCPHM-UHFFFAOYSA-N 319.792 2.989 0 50 DFAA COc1ccc([C@H](NC(=O)NC[C@@H]2CC[C@@H](O)C2)C2CC2)cc1 195578209 IWDGCLVTUXZCMM-SRCQZFHVSA-N 318.417 2.607 0 50 DFAA COCCN(Cc1cc2c(cc1OC)CCC2)C[C@@H]1CCCO1 216186127 FSHRJMWVQBILLB-SFHVURJKSA-N 319.445 2.811 0 50 DFAA O=C(NC1CCCC1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 220598579 WOGAEVLHQOYPHP-SJORKVTESA-N 318.417 2.603 0 50 DFAA O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1CCCC[C@H]1C(F)(F)F 225335104 PDEOJLUGBPEQFE-IJLUTSLNSA-N 315.339 2.683 0 50 DFAA CN(CCc1ccccc1)C(=O)Cc1ccc([S@](C)=O)cc1 225491187 OBWLYMKHOXFYFO-QFIPXVFZSA-N 315.438 2.668 0 50 DFAA C[C@@H](NC(=O)Nc1nc(-c2cccnc2)cs1)c1ncc[nH]1 225837613 DDRBBICYBCJGCB-SECBINFHSA-N 314.374 2.811 0 50 DFAA O=C(Nc1ccc(Br)cc1)[C@H]1CC[C@@H](C(=O)O)C1 236452240 PWZDBKLVIOXZCU-DTWKUNHWSA-N 312.163 2.889 0 50 DFAA Cc1cccc(NC(=O)CCN(C)CCn2ccnc2C)c1C 244899558 ZLUAIJBEFJNPMG-UHFFFAOYSA-N 314.433 2.769 0 50 DFAA Cc1cc(NC(=O)[C@H]2COCCN2C2CCCC2)cc(C)c1O 252492215 MFQCODHFQKOCDF-MRXNPFEDSA-N 318.417 2.591 0 50 DFAA Cc1cc(C)n(Cc2cccc(-c3noc([C@@H]4CCNC4)n3)c2)n1 261644720 DPJABZAHCYAETQ-MRXNPFEDSA-N 323.400 2.675 0 50 DFAA CCSCCCNC(=O)Nc1ccc([S@@](C)=O)c(F)c1 282673390 HRPPFBMNSKZXTH-HXUWFJFHSA-N 318.439 2.828 0 50 DFAA COc1cccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c1F 290792243 SYNAQAKZBYMEAN-LLVKDONJSA-N 323.755 2.771 0 50 DFAA Cn1cnc(C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)n1 294205511 OZMFUPCJZLDYOI-SNVBAGLBSA-N 310.279 2.512 0 50 DFAA CCOC(=O)[C@H](F)C1CN(C(=O)c2csc3ccccc23)C1 294394147 ZRGXMEDPFIPLRR-CQSZACIVSA-N 321.373 2.875 0 50 DFAA O[C@@H](CN1CC[C@H](n2cnc3c2CCCC3)C1)c1ccccc1 299749902 LZLJUUHLYUCBRS-LPHOPBHVSA-N 311.429 2.742 0 50 DFAA COc1ccc(F)c(F)c1C(=O)NCc1cc(C(C)(C)C)n[nH]1 299771320 YGQIQJZIYTZMKA-UHFFFAOYSA-N 323.343 2.924 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C[C@@H]1C=CCC1 328630083 PNGYLLAFYDWQNF-AYBZRNKSSA-N 313.445 2.889 0 50 DFAA CC(C)(CNC(=O)N1CCC[C@H](n2cncn2)C1)C1=CCCC1 333873149 PTGFQHUNBFEMDR-HNNXBMFYSA-N 317.437 2.761 0 50 DFAA Cc1ccc(NC(=O)CN2CC[C@H](N3CCCCC3)C2)cc1F 341141785 FUTKEKAIWOEECT-INIZCTEOSA-N 319.424 2.633 0 50 DFAA CN1C[C@H](C(=O)N(C)Cc2ccccc2)c2ccccc2C1=O 365812515 FCHPYNQDDMNIQJ-KRWDZBQOSA-N 308.381 2.514 0 50 DFAA CC(C)OC[C@@H]1CN(C(=O)c2ccc3ccccc3n2)CCO1 372171958 FQVVZHDXMPIBBT-HNNXBMFYSA-N 314.385 2.501 0 50 DFAA CCCCn1c(O)nnc1SCc1nc2ccc(O)cc2o1 408515041 SDPICMDGXVKTJA-UHFFFAOYSA-N 320.374 2.923 0 50 DFAA CC1(C)C[C@H](NC(=O)c2c(F)cccc2-n2cccn2)CCO1 408520293 ZUDBXABIOUKQPQ-GFCCVEGCSA-N 317.364 2.699 0 50 DFAA CC[C@H](NC(=O)c1cnn2ccn(C)c12)c1nc(C)c(C)s1 584885364 RSIBRJTXWHWFRT-LBPRGKRZSA-N 317.418 2.627 0 50 DFAA COc1ccc(-c2noc([C@@H]3CCc4cnc(C)n4C3)n2)cc1 585133923 ZYDWESIZICJIDB-CYBMUJFWSA-N 310.357 2.980 0 50 DFAA Cc1nnc([C@H](C)n2cc(CNc3c(C)cccc3C)nn2)o1 640986637 GEDMGJXNJFFDSW-LBPRGKRZSA-N 312.377 2.808 0 50 DFAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCC1 649998852 RKKGJFFYDPUWSA-FZMZJTMJSA-N 320.820 2.545 0 50 DFAA CN1C[C@@H]2CCC[C@H]1CN(Cc1ccccc1Cn1cccn1)C2 670451560 ILZCAEBLZYXPME-PXNSSMCTSA-N 324.472 2.848 0 50 DFAA O=C1CCCCCN1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1 826585282 XGMWWIJRACFBJC-MRXNPFEDSA-N 318.392 2.892 0 50 DFAA O=C(NCC1(C2(O)CCC2)CC1)c1ccnc(C(F)(F)F)c1 887534675 VPIISBORPJGNLP-UHFFFAOYSA-N 314.307 2.525 0 50 DFAA O=C(NC1(c2ccccc2)COC1)c1ccnc(NC2CCC2)c1 888561828 IGJINFZEQXLFHP-UHFFFAOYSA-N 323.396 2.702 0 50 DFAA c1c[nH]c(CCN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 1529194744 CHYQMDIVXXAOBQ-UHFFFAOYSA-N 314.477 2.539 0 50 DFAA CC(C)(C)n1nnnc1SCc1cnc(O)c2ccccc12 1616036543 NQVJJEBVALMPIQ-UHFFFAOYSA-N 315.402 2.974 0 50 DFAA COc1c(C)cnc(CNc2ncc(C(C)=O)c(C)n2)c1C 1772700439 DQWUXQUGFSDBJT-UHFFFAOYSA-N 300.362 2.620 0 50 DFAA CCOc1ccccc1-c1nnc(NC(=O)c2cscn2)o1 1875251378 DDCCFBKTTKAZIL-UHFFFAOYSA-N 316.342 2.844 0 50 DFAA CC(C)c1noc(COC(=O)c2cnc3c(c2)CCCC3)n1 1875293683 ZGVASVHJWIAVKF-UHFFFAOYSA-N 301.346 2.824 0 50 DFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cc2ccccc2o1 2325785750 LZXUVORRZGICFN-KBRIMQKVSA-N 311.385 2.559 0 50 DFAA CNCCc1ccc(NC(=O)c2sc3nccn3c2C)cc1 2325817454 CJRKDDNEDQUMHZ-UHFFFAOYSA-N 314.414 2.718 0 50 DFAA CCOc1ccc(C(=O)NCc2cccnc2)cc1OCC 279248 FJONDTFYEXGFFK-UHFFFAOYSA-N 300.358 2.809 0 50 DFAA Cc1cccc(C(=O)NCc2nnc(S)n2-c2ccccc2)c1 3892375 DFYWJNDSOFYITK-UHFFFAOYSA-N 324.409 2.794 0 50 DFAA COc1ccc(C2=NO[C@H](C(=O)NCc3ccccc3)C2)cc1 4104038 RSBQFVIWASNLDN-KRWDZBQOSA-N 310.353 2.505 0 50 DFAA biogenic O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccco2)CC1 4976236 ZGELXTNPZGBADA-UHFFFAOYSA-N 318.417 2.971 0 50 DFAA COc1ccc(CCNC(=O)c2onc(C)c2Cl)cc1OC 6738132 MIOXXIPJRFERAX-UHFFFAOYSA-N 324.764 2.626 0 50 DFAA Cc1nc(NC(=O)c2cc3ccccc3nc2N2CCCC2)n[nH]1 225559835 IYWIJUAITMNQIS-UHFFFAOYSA-N 322.372 2.514 0 50 DFAA CO[C@H](c1ccccc1)[C@@H](C)NCCCCn1ccccc1=O 225621474 SJNDYJDOXOILSV-APWZRJJASA-N 314.429 2.994 0 50 DFAA O=C(O)CCC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 57530709 GWLAVLHJWWNJKH-UHFFFAOYSA-N 312.325 2.742 0 50 DFAA COCCNC(=O)CCC1CCN([C@@H](C)CC(F)(F)F)CC1 20785429 DBCWUEYPBKJAAO-LBPRGKRZSA-N 324.387 2.582 0 50 DFAA CN(C(=O)CCCN1CCOCC1)[C@H]1CCCc2ccccc21 67956322 URLLONAYOKVQEM-SFHVURJKSA-N 316.445 2.635 0 50 DFAA Cc1ccc2[nH]c(C3CCN(C(=O)[C@H]4CCCO4)CC3)nc2c1 170492857 XOPAWVQBNDVMEN-MRXNPFEDSA-N 313.401 2.756 0 50 DFAA Nc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2cc(C(=O)O)ccc2n1 65385984 DHULFWDLXSKNCN-SWLSCSKDSA-N 320.352 2.878 0 50 DFAA CC(C)(CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C)NC(=O)OC(C)(C)C 252585649 KDEHKXYZGAYDNJ-JHJVBQTASA-N 312.454 2.693 0 50 DFAA CC[C@@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)O 141600 QDEBMUJFOODXQL-KCJUWKMLSA-N 303.280 2.935 0 50 DFAA O=C(CSc1ccccc1C(=O)O)NCCc1ccccc1 129421 DGZXMEKIPUTQGH-UHFFFAOYSA-N 315.394 2.836 0 50 DFAA C[C@@H](OCc1ccccc1)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C 2560007 DMYNYZJGZSJUGU-OCCSQVGLSA-N 323.389 2.912 0 50 DFAA biogenic C[C@@H](O)C(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3 71771514 RAISGDGIWHWQSB-GFCCVEGCSA-N 300.402 2.824 0 50 DFAA CCNCc1ccccc1NC(=O)c1cccc(-n2cncn2)c1 124582185 FMKRGKJNVISSAR-UHFFFAOYSA-N 321.384 2.629 0 50 DFAA COC(=O)c1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1 32670965 OSIHLTHKUWUVDN-HUUCEWRRSA-N 321.417 2.741 0 50 DFAA O=C(NC1CC1)c1ccc(C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1 127362198 HEVGKYIWFLUMGD-IYBDPMFKSA-N 312.413 2.841 0 50 DFAA c1cc2c(cc1-c1noc(C[C@@H]3C[C@H]4CC[C@H]3O4)n1)OCCO2 333818907 JJGNLWCWHXFBHI-YNEHKIRRSA-N 314.341 2.618 0 50 DFAA CC[C@H](O)Cn1nc(-c2ccc(Br)cc2)nc1C 156948849 ZIECXABYWSOARV-LBPRGKRZSA-N 310.195 2.787 0 50 DFAA Cc1nc(-c2ccco2)ccc1C(=O)N1CCCC[C@@H]1C(=O)O 159733860 XFRHEKHLBSNTJG-CQSZACIVSA-N 314.341 2.729 0 50 DFAA Cc1noc(C2CC2)c1NS(=O)(=O)CCCC(F)(F)F 240444282 FXFDSLGNCBICKE-UHFFFAOYSA-N 312.313 2.945 0 50 DFAA C[C@@]1(CNC(=O)c2cc(C3CC3)no2)OCCc2sccc21 290330802 JKIPYVAUSMJDDR-INIZCTEOSA-N 318.398 2.831 0 50 DFAA O=C(NCc1ccccc1OC(F)(F)F)N1CCSCC1 45312583 DVQDRQSDFKAHKB-UHFFFAOYSA-N 320.336 2.844 0 50 DFAA CCN(CCNC(=O)C[C@H]1CCCCN1C)c1cccc(C)c1 426533943 YHWJCRVSCZYXCV-QGZVFWFLSA-N 317.477 2.812 0 50 DFAA Cc1cccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C 239274668 ANPKQPKERIPPSY-PXQICXGYSA-N 322.408 2.726 0 50 DFAA CCN(CCn1cccn1)C(=O)Nc1ccnn1[C@@H](C)C(C)C 97495491 SMJMEJWYZJSDJM-AWEZNQCLSA-N 318.425 2.851 0 50 DFAA C[C@@H](O)[C@@H](C(=O)O)n1cc(-c2ccccc2-c2ccccc2)nn1 95389390 ZKEYVGLTCYQMNM-PXAZEXFGSA-N 323.352 2.619 0 50 DFAA c1ccc2cc3[nH]c(-c4cn(C5CCNCC5)nn4)nc3cc2c1 91645311 WVZJYKPBUSFSHZ-UHFFFAOYSA-N 318.384 2.899 0 50 DFAA Cc1cccc([C@@H](NC(=O)c2c(C)nc3ncccn23)C2CC2)n1 97217666 BDTRKEMNLHWIOW-HNNXBMFYSA-N 321.384 2.622 0 50 DFAA CCc1onc(C)c1C(=O)N[C@@H]1C[C@H]1c1ccccc1OC 619148341 GYQPVUGAXHWALW-QWHCGFSZSA-N 300.358 2.840 0 50 DFAA CN(Cc1ccc(Sc2nncn2C)o1)C1CCSCC1 97642062 ZWTCXVBJQGGJCT-UHFFFAOYSA-N 324.475 2.887 0 50 DFAA C[C@H](Cc1cnccn1)N(C)Cc1noc(C2CCCC2)n1 252507808 WUEYGMPGXUSGLV-GFCCVEGCSA-N 301.394 2.580 0 50 DFAA FC(F)(F)c1ccnc(N2CCC(N3CCCCC3)CC2)n1 298697887 DKAPAASHRBWLQH-UHFFFAOYSA-N 314.355 2.950 0 50 DFAA CCc1ccc(NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1F 626457656 WVPURYFOGJCLGB-OAHLLOKOSA-N 319.380 2.663 0 50 DFAA CN(CC1(C)COC1)C(=O)NCc1cccc(Cl)c1F 534592209 JDULQOITIGZANA-UHFFFAOYSA-N 300.761 2.657 0 50 DFAA O=C(C[C@@H](c1ccsc1)n1cccc1)NCCn1cccn1 263587500 HOFQTOLOWSXUAG-HNNXBMFYSA-N 314.414 2.542 0 50 DFAA C[C@H]1c2cc(F)ccc2CCN1C(=O)CCCn1cccn1 299797181 MOOXXKGVXHHMPF-ZDUSSCGKSA-N 301.365 2.948 0 50 DFAA OCCn1nc(-c2cccc(F)c2)nc1[C@H](O)C1CCCCC1 828778407 NEOXYYIZXRMDHM-OAHLLOKOSA-N 319.380 2.690 0 50 DFAA CN(CCC[C@@H]1CCCO1)C(=O)NCc1ccc2nc[nH]c2c1 584885503 YIQPICQWQPUDHW-CQSZACIVSA-N 316.405 2.664 0 50 DFAA COCc1nc(-c2csc(C)n2)n(-c2ccc(OC)cc2)n1 670447844 SCJNBOZYIMMQDO-UHFFFAOYSA-N 316.386 2.854 0 50 DFAA CC1(C)CN(C(=O)c2ccnc3[nH]ncc23)[C@H]1c1cccnc1 1875294097 MQKAIKDZXMTEHC-AWEZNQCLSA-N 307.357 2.576 0 50 DFAA CC(F)(F)c1cncc(N2C(=O)N[C@]3(CCC[C@@H]4C[C@H]43)C2=O)c1 1875304812 VWJGKICUUFBMQX-ULMHFPJVSA-N 321.327 2.808 0 50 DFAA O=C(c1ccccc1OC[C@H]1C[N@@]1C1CCC1)N1CCCCC1 1875379736 VTJYZHUGWXLPMZ-IERDGZPVSA-N 314.429 2.928 0 50 DFAA CC[C@@H](Nc1nc(C)nc2c1cnn2C)c1c(C)nn(C)c1C 956944795 RPBITZYXEPFKSH-CYBMUJFWSA-N 313.409 2.585 0 50 DFAA C[C@@H](CCOc1ccccc1)c1nc(-c2ccc(O)nn2)no1 1775998724 HFVZKXWWWHYBSP-NSHDSACASA-N 312.329 2.805 0 50 DFAA Cn1c(Cl)cnc1CNC(=O)/C=C/CCCCCCCO 1775989037 AQPLGVHPBWNBDZ-VQHVLOKHSA-N 313.829 2.579 0 50 DFAA Cc1ccc(-c2ccc(CN3CC[C@@H](O)[C@@H](C(=O)O)C3)o2)cc1 1529185024 HUDLPMSOPQBCMW-JKSUJKDBSA-N 315.369 2.522 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCSCc2ccccc2)C1 1565510863 JCYFWTFXJLFTOI-KGLIPLIRSA-N 307.415 2.537 0 50 DFAA C[C@H](OCc1ccccc1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 185895556 COABWNMOULKWTE-IKGGRYGDSA-N 318.461 2.828 0 50 DFAA CC(C)(C)OC(=O)N[C@]1(C(=O)O)Cc2ccc(Cl)cc2C1 95642883 ZIVWELCPNMCVLQ-OAHLLOKOSA-N 311.765 2.787 0 50 DFAA in-vitro O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCCOCC1 408112281 LMQMIHPVFOIPKX-CQSZACIVSA-N 324.808 2.986 0 50 DFAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2ccc(C(C)C)nc2)C1(C)C 275629108 OMPYUUXENKNJKW-QAPCUYQASA-N 320.433 2.501 0 50 DFAA CCN1CC[C@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)C[C@@H]1C 169987780 ADLBMWXQSMXSFM-STQMWFEESA-N 319.453 2.768 0 50 DFAA CC(=O)Nc1ccc(CCNC(=O)Nc2ccc(C)cn2)cc1 170075737 URGXBGBCLLTGQQ-UHFFFAOYSA-N 312.373 2.713 0 50 DFAA Cc1ccc(-c2nnc(S)n2CC(=O)N2CCC[C@H]2C)cc1 170643812 QCHNYQDUNXYCCI-GFCCVEGCSA-N 316.430 2.553 0 50 DFAA CN(C)C(=O)c1ccc(NC(=O)[C@H]2CCCc3ccccc32)nc1 280087870 RPATZPNHZKAOSX-INIZCTEOSA-N 323.396 2.842 0 50 DFAA Cc1cc(C(F)(F)F)c(N2CCC[C@H](c3cc[nH]n3)C2)nn1 750458510 LMIVUKMEUGDSHS-JTQLQIEISA-N 311.311 2.911 0 50 DFAA CN1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1 585123209 AAXJNWJYSDBNAN-OAHLLOKOSA-N 323.481 2.602 0 50 DFAA COC(=O)[C@@H](CNC(=O)c1cccs1)c1ccc(F)cc1 192761421 IYSFMRDJIZXMMI-LBPRGKRZSA-N 307.346 2.574 0 50 DFAA C[C@@H](C(=O)N1CCC(C)(C)C1)[C@@H](C)C(=O)N1CCC(C)(C)C1 195579809 OWYRJPXIOSLHPY-ZIAGYGMSSA-N 308.466 2.776 0 50 DFAA CCCn1nc(C)c(NC(=O)c2cn(-c3ccccc3)nn2)c1C 1529134075 OAMOPUXOYJWFLM-UHFFFAOYSA-N 324.388 2.743 0 50 DFAA CN(C)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 457098 HITPZRKXMGJIPL-MDZDMXLPSA-N 315.398 2.872 0 50 DFAA COc1nc(Cl)nc2n[nH]c(COCc3ccccc3)c12 1384882316 SBVOQPRADCAMBM-UHFFFAOYSA-N 304.737 2.732 0 50 DFAA O=C(O)c1ccc(C(=O)NCCCc2ccccc2Cl)o1 1615569717 QHOIAUUEICQJRS-UHFFFAOYSA-N 307.733 2.994 0 50 DFAA O=C(O)[C@](O)(c1ccccc1)c1ccc(Br)cc1 32131445 ZISFIJBYCYVOAF-AWEZNQCLSA-N 307.143 2.770 0 50 DFAA Oc1ccc(CC2CCN(c3ncc4c(n3)CCCC4)CC2)cn1 1772812801 PMFHTKTZUSSURO-UHFFFAOYSA-N 324.428 2.915 0 50 DFAA Cc1cc(Br)ccc1OCCCN1CCOCC1 20117916 TWYGMVSGEPMCNM-UHFFFAOYSA-N 314.223 2.859 0 50 DFAA CC(C)N1C[C@@H](CN2CCCC3(CCOCC3)C2)CCC1=O 1775979631 XMZIUFHRMZRLBF-MRXNPFEDSA-N 308.466 2.526 0 50 DFAA COc1nc(NC[C@H]2CCN(c3ccccc3F)C2)ncc1F 1772705969 NUOBVJUQPCLWHH-LLVKDONJSA-N 320.343 2.702 0 50 DFAA CC[C@H](C(=O)O)N(C)C(=O)c1ccc(C)cc1Br 163611104 DYMNTJOHDVADPF-LLVKDONJSA-N 314.179 2.693 0 50 DFAA CCN1CCC[C@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 11699366 PLUFRFGVJLFCJK-OAHLLOKOSA-N 314.433 2.900 0 50 DFAA CC=CC[C@@H]1CCCN(C(=O)c2cccc(OCC(=O)O)c2)C1 1857528968 FPSROTQUPAYFHB-CQSZACIVSA-N 317.385 2.968 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cc(F)c(F)cc1F 1857681577 GPMLDWPOJJNSCC-JNHRWOMLSA-N 313.319 2.870 0 50 DFAA Cn1cc(CCn2ccnc2-c2cccc(-n3cccn3)c2)cn1 1857727716 YTXIGWWXSOAGIY-UHFFFAOYSA-N 318.384 2.712 0 50 DFAA Cc1noc(-c2ccnc(-c3ccc([C@H]4CNC(=O)C4)cc3)c2)n1 1875246214 AZNCDBCFHYNIHE-OAHLLOKOSA-N 320.352 2.711 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccncc2)cc1 119864395 AWZCHFCDFBMYSK-LSDHHAIUSA-N 318.442 2.903 0 50 DFAA CCOc1c(F)cccc1C(=O)N1CC[C@H](c2nc(C)no2)C1 332083129 OQLYCLOTBQGPHM-NSHDSACASA-N 319.336 2.546 0 50 DFAA Cc1ccc(CN(C)C)cc1NC(=O)c1cc(N(C)C)ccn1 131500886 CRHZPKPHTSSUAX-UHFFFAOYSA-N 312.417 2.770 0 50 DFAA CC(C)Oc1cccc([C@H](C)NC(=O)N2C[C@H](F)C[C@H]2CO)c1 346221078 WUENLAWJUSXYKZ-CFVMTHIKSA-N 324.396 2.649 0 50 DFAA O=C(CCc1ccc(C(=O)O)cc1)NCCOC1CCCCC1 262578196 DYZRQLRCYBCMMH-UHFFFAOYSA-N 319.401 2.783 0 50 DFAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(C2CC2)on1 263017972 SWXNFQMWOOJROY-NSHDSACASA-N 314.341 2.668 0 50 DFAA C[C@H](NC(=O)c1ccc(NC[C@@H]2CC=CCC2)cc1)C(=O)O 901717530 YXWFGTRWYCNRGB-QWHCGFSZSA-N 302.374 2.658 0 50 DFAA CN1Cc2cc(-c3ccc(C(=O)NC4CC4)cc3)ccc2C1=O 1241595820 ZAIIPCNUDHXSMT-UHFFFAOYSA-N 306.365 2.831 0 50 DFAA C[C@H](CN(C(=O)c1cc(Cl)c(Cl)n1C)C1CC1)C(=O)O 237371609 PWGLNYARVPDYNF-SSDOTTSWSA-N 319.188 2.657 0 50 DFAA Cn1cnc2cnc(N[C@H]3C[C@H](OCc4ccccc4)C3)nc21 2100473577 FMVMFNLSUSWILU-HDJSIYSDSA-N 309.373 2.523 0 50 DFAA COC[C@H](Nc1ncc2c(n1)COC2)c1ccc(F)c(F)c1 2325767239 ONDRCLBASTUVEW-ZDUSSCGKSA-N 307.300 2.585 0 50 DFAA CCc1cnc(NC(=O)[C@H]2CCCc3sc(=N)[nH]c32)s1 2325791830 ASFMKERDKHHDIO-QMMMGPOBSA-N 308.432 2.633 0 50 DFAA CC(C)[C@H](NCc1cc2ccc(F)cc2nc1O)c1cnn[nH]1 2325802412 GIMFUVVCCGLDOY-HNNXBMFYSA-N 315.352 2.685 0 50 DFAA CCOc1ccc(NC(=O)CSc2nnc(C)s2)cc1 31516 OGFFQISKVNNNGX-UHFFFAOYSA-N 309.416 2.976 0 50 DFAA O=C(Nc1cccnc1)c1cccc(I)c1 235444 HBUBMVNSVLQQJD-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA COc1cccc(C(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)c1 239102 NZNFYXQSFOMUGX-MRXNPFEDSA-N 314.429 2.809 0 50 DFAA Cn1nnc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc21 618558 NUBNNRCOFYVYFP-HNNXBMFYSA-N 306.369 2.598 0 50 DFAA CC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12 817595 AXZSIHAPVWQAPF-UHFFFAOYSA-N 307.353 2.555 0 50 DFAA O=C(NCc1cccc2ncsc12)C1(Cn2cccn2)CC1 2356157984 UYTDQOZGDBYIAE-UHFFFAOYSA-N 312.398 2.589 0 50 DFAA O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(F)cc1 2887571 HJIKPUGQHVHOHO-UHFFFAOYSA-N 301.726 2.986 0 50 DFAA O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC=CC[C@H]1C(=O)O 3957515 KYSKQMKJRXGEIK-JKGMGYAYSA-N 303.402 2.738 0 50 DFAA O=C(CN1CCN(c2ccccc2)CC1)Nc1cccc(F)c1 57293412 AZQPWBATTCJEGC-UHFFFAOYSA-N 313.376 2.586 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 246881778 IBUZEYMVPGQYLU-ZMLRMANQSA-N 313.228 2.904 0 50 DFAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1nc2ccccc2[nH]1 344593839 RMNWDXADTAQOGL-XOKHGSTOSA-N 315.417 2.579 0 50 DFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1OC(F)F 100798453 ADSJURQETKKVPA-NGERZBJRSA-N 323.295 2.749 0 50 DFAA Cc1cc([C@@H]2CCCCN2Cc2ncccc2C(=O)O)no1 65504665 FDYUJWHAOBZACT-HNNXBMFYSA-N 301.346 2.803 0 50 DFAA C[C@H]1CN(C(=O)c2ccc3nc(S)oc3c2)CC(C)(C)O1 118780431 FBVAXNKFNWGBKS-VIFPVBQESA-N 306.387 2.756 0 50 DFAA CCc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)cc1 10682069 KTASHROXNQAIPL-UHFFFAOYSA-N 324.380 2.922 0 50 DFAA Cc1c(-c2nc(CCc3ccccc3)n[nH]2)cnc2ccnn12 67588024 BIZJDQKZYQTUHJ-UHFFFAOYSA-N 304.357 2.608 0 50 DFAA CCCSc1ncc(CN2CCC[C@]3(CCNC3)C2)cn1 67934038 PJEGYXQYWFBKNI-MRXNPFEDSA-N 306.479 2.554 0 50 DFAA C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(F)cc1F 65362754 NZKZHBKJUNZNQZ-JTQLQIEISA-N 310.344 2.988 0 50 DFAA c1ccc(Cn2cccn2)c(CN2CCC3(CCNCC3)C2)c1 67739958 KBJVZJXXTAORBC-UHFFFAOYSA-N 310.445 2.507 0 50 DFAA Cc1cc(N)n(CC(=O)N2CCCCC[C@H]2c2ccco2)n1 1506425662 FPGQXURJACYPNL-ZDUSSCGKSA-N 302.378 2.511 0 50 DFAA CCc1ccnc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 331920524 LPZNZKYBSMRZDV-WBVHZDCISA-N 314.360 2.731 0 50 DFAA C[C@@H](C(=O)N1CCCC1)N1CCC[C@@H](CN2CCCCCC2)C1 229562609 JPGVKJDCIDRRAT-ROUUACIJSA-N 321.509 2.585 0 50 DFAA CC[C@H](C)NC(=O)c1ccc(NC(=O)CCCCOC)cc1 121306478 OZXYHRXOPDAFGN-ZDUSSCGKSA-N 306.406 2.970 0 50 DFAA CC(=O)c1cn(CC(=O)NCc2ccncc2)c2ccccc12 31820283 IJJOHSWRNPXLPY-UHFFFAOYSA-N 307.353 2.555 0 50 DFAA Cc1nc(N)sc1C(=O)NCCn1c(C)cc2ccccc21 67803333 JUWMGZCJUZYIJQ-UHFFFAOYSA-N 314.414 2.727 0 50 DFAA CC[C@@]1(C)OC(=O)N(CCc2ccc(OC)c(OC)c2)[C@]1(C)O 52372 BNSFMCYBLDTSOZ-IAGOWNOFSA-N 323.389 2.576 0 50 DFAA O=C(NC1CC1)c1ccc(-c2noc(-c3ccncc3F)n2)cc1 355761064 STRFHXMQHASJLW-UHFFFAOYSA-N 324.315 2.830 0 50 DFAA Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)n1cccn1 2779004 SNHFGASSSZAJAY-ZETCQYMHSA-N 306.675 2.962 0 50 DFAA COc1ccc([C@@H](CN(C)C)NCc2cnn3ccccc23)cc1 253416425 ASLHRVTUDTXQOC-GOSISDBHSA-N 324.428 2.735 0 50 DFAA CC(C)n1ccc(NC(=O)N2CCO[C@@H](C3CCCCC3)C2)n1 328587570 BSMLJZFWVJRSNM-OAHLLOKOSA-N 320.437 3.277 0 50 DFAA CC[C@H]1CN(CCc2ccc(F)c(F)c2)CCN1CCOC 152050174 VLCZSWAQGVAWHL-HNNXBMFYSA-N 312.404 2.550 0 50 DFAA CC(C)(C)c1cc(NC(=O)C2=COCCO2)nc(C(C)(C)C)n1 154641798 KVECXWHSOLCVGH-UHFFFAOYSA-N 319.405 2.898 0 50 DFAA Cc1cccc(OCC(=O)N2CCC(OCC3CC3)CC2)c1 363286437 JOEAXPKQDFPCHK-UHFFFAOYSA-N 303.402 2.791 0 50 DFAA Cc1cccc(CN2CCN(Cc3ccc(C)c(C)c3)C(=O)C2)n1 72144954 PSNXCNDESDTFGW-UHFFFAOYSA-N 323.440 2.851 0 50 DFAA CN(C)C[C@@]1(O)CCCN(Cc2ccc3ccccc3n2)CC1 72170116 VTRRFOMIOBVFTQ-LJQANCHMSA-N 313.445 2.513 0 50 DFAA O=C([C@@H]1C[C@]12CCNC2)N1CCC(Cc2ccc(F)cc2)CC1 444115953 DUGYVYWQBADFPI-HKUYNNGSSA-N 316.420 2.606 0 50 DFAA Cc1ccc(-c2cccc(CN3CCN(C)[C@H](CCO)C3)c2)o1 39500415 IDEGYXPBVRZGEN-GOSISDBHSA-N 314.429 2.753 0 50 DFAA Cc1nc(CC(=O)NCc2nc3cc(Cl)ccc3[nH]2)cs1 72474416 RQKINCZATKPNQA-UHFFFAOYSA-N 320.805 2.840 0 50 DFAA COc1cccc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c1 375030867 MMMFDWWAYXYHCO-GOSISDBHSA-N 315.344 2.568 0 50 DFAA C[C@@H]1OCC[C@H]1[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 127324440 WTIOJCQLGQYRJA-BWGXNBIRSA-N 309.362 2.907 0 50 DFAA Cc1ccc(F)c(OCC(=O)N2CCCC[C@@H]2CCC(=O)O)c1 237770987 CNRMSBNANIBFBV-CYBMUJFWSA-N 323.364 2.759 0 50 DFAA Cc1noc(C(C)(C)NC(=O)Nc2nnc(C(C)(C)C)s2)n1 284956226 XKNJIGSIWUMNKS-UHFFFAOYSA-N 324.410 2.584 0 50 DFAA C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 245265771 HWXBLJQKSJHSIJ-DVOMOZLQSA-N 321.392 2.995 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)Cc2cccc(F)c2F)C1 82108100 VCWPCFODLBELQQ-LBPRGKRZSA-N 308.372 2.593 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NCCc1ccc(F)cc1 426691337 UQYYBSIZTNWDHE-UHFFFAOYSA-N 318.396 2.592 0 50 DFAA CCn1ncc(C(F)(F)F)c1CSc1nnc(N)s1 223244280 WPNDROBYIGJEGV-UHFFFAOYSA-N 309.342 2.648 0 50 DFAA Cc1cn2cc(C(=O)NCc3ccc4c(c3)CCCO4)ccc2n1 82133491 XHYKRBJCYJAYQQ-UHFFFAOYSA-N 321.380 2.898 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 178968265 UGWDDCVELWDQBS-NSHDSACASA-N 319.792 2.677 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)c2cc3c(C)cccc3n2C)n[nH]1 426465462 OIQRCFQMVVLNOH-HNNXBMFYSA-N 323.400 2.891 0 50 DFAA Cc1nccn1CCNC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 426730593 XVFDYBLGRKMGOW-RHSMWYFYSA-N 304.438 2.802 0 50 DFAA CC(C)c1nc(CN2CCCC[C@H]2CCN2CCOCC2)co1 97602594 YDNGEVUQCCVHDO-KRWDZBQOSA-N 321.465 2.875 0 50 DFAA COC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nc(C)no2)cc1 96141077 DIJWOEHAUPEQKV-AWEZNQCLSA-N 316.361 2.688 0 50 DFAA CCCc1cc(C(=O)N(C)Cc2ccc3nsnc3c2)no1 96151135 XIKUNJBJZHIZGW-UHFFFAOYSA-N 316.386 2.904 0 50 DFAA COc1ccc2ccccc2c1CN1CCOC[C@H]1CC(=O)O 97758080 JASLEKQPRWPIJC-CQSZACIVSA-N 315.369 2.524 0 50 DFAA O=C1OC2(CCNCC2)CN1Cc1cc(C2CCCCC2)no1 95504876 LGPPILOBSNQCRL-UHFFFAOYSA-N 319.405 2.797 0 50 DFAA Cc1ccc(C)c(N2CCN(C(=O)c3nc(C)oc3C)CC2)c1 293168934 XXMOVPPXMPQQAL-UHFFFAOYSA-N 313.401 2.871 0 50 DFAA Cc1n[nH]c(C)c1CCCNc1nc2c(s1)c(C)nn2C 95523010 CNMQPYOMYNOULA-UHFFFAOYSA-N 304.423 2.723 0 50 DFAA COc1ccccc1C(C)(C)NC(=O)N[C@@H]1CCCOCC1 181663845 CJPFVRKRHKEHQD-CYBMUJFWSA-N 306.406 2.799 0 50 DFAA CCc1ccccc1OCc1nnc([C@H]2C[C@H](N)C2)n1CC 244595109 DOVDSLUEWBOTHE-HDJSIYSDSA-N 300.406 2.644 0 50 DFAA Cc1noc([C@@H]2CCCCN2Cc2noc(-c3ccco3)n2)n1 252482701 DMEYQEXIHLSFDM-NSHDSACASA-N 315.333 2.748 0 50 DFAA Cc1cccnc1[C@H](C)NC(=O)C1(N2CCCC2)CCCC1 534633529 NXWYANPEYPDLJT-HNNXBMFYSA-N 301.434 2.976 0 50 DFAA Cc1ccccc1[C@H]1CC(=O)c2c(nc3c(cnn3C)c2N)C1 618256971 PLVSQFHSLUOAPS-LLVKDONJSA-N 306.369 2.772 0 50 DFAA C[C@H]1CC(=O)c2c(nc3c(cnn3-c3cccc(F)c3)c2N)C1 616590627 JEZGJEHZUQKHAR-SECBINFHSA-N 310.332 2.907 0 50 DFAA CCc1nc(CN2CCC[C@H]2c2cc(OC)ccc2OC)n[nH]1 185170083 KHZHQNQMYYQYKU-AWEZNQCLSA-N 316.405 2.721 0 50 DFAA COCc1nc(-c2cc3ncccn3n2)n(C2CCCCC2)n1 670467608 WMMQYXWFQSEPEV-UHFFFAOYSA-N 312.377 2.639 0 50 DFAA O=C(Nc1ccc(Cn2ccnc2)cc1)c1cn2c(n1)CCCC2 1153405535 MUVGDCBTVJMAIT-UHFFFAOYSA-N 321.384 2.717 0 50 DFAA COc1ccc2c(c1)C[C@H](C)N2C(=O)CC1CCN(OC)CC1 1875272570 IMTNVJLAHJQVEI-ZDUSSCGKSA-N 318.417 2.636 0 50 DFAA COC(=O)c1cc(OC[C@H]2C[N@@]2CC(C)C)c2ccoc2c1 1875381395 TVUJRYLICGLZLU-FZKQIMNGSA-N 303.358 2.938 0 50 DFAA CC1(C)CCC[C@H]1OC(=O)[C@@H]1CCCN(c2cc(O)ncn2)C1 1875305647 WKYNOCIQUTVZRK-CHWSQXEVSA-N 319.405 2.521 0 50 DFAA Cc1ccc(CN(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)s1 275652157 YSUODENGZJUVOR-NSHDSACASA-N 305.403 2.556 0 50 DFAA Cc1noc(C)c1CCNC(=O)c1ccc2c(c1O)CCCC2 186177369 YTUNESJPLYRVKE-UHFFFAOYSA-N 314.385 2.848 0 50 DFAA CN(CCO)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 408513747 ZFQLRQJKZMMZRG-UHFFFAOYSA-N 308.765 2.734 0 50 DFAA C[C@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)[C@@H](C)CN1C 222070560 ARZMDVXDVDBAFM-KBPBESRZSA-N 323.444 2.556 0 50 DFAA CC(C)n1ncc2ccc(N3C(=O)[C@H]4CCCCN4C3=O)cc21 278051203 IKMCIKGQMAQQSR-CQSZACIVSA-N 312.373 2.938 0 50 DFAA CNC(=O)CCCC(=O)Nc1cnc(-c2ccccc2)s1 170602339 REEXPCSPDLMANV-UHFFFAOYSA-N 303.387 2.665 0 50 DFAA O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1ccc(O)c(F)c1 585127628 FTAFGEFJBDMTOB-AWEZNQCLSA-N 305.309 2.679 0 50 DFAA CC(C)(C(=O)NCCCn1ccnn1)c1ccc(Cl)cc1F 188709747 IGNANMRPLYMRQJ-UHFFFAOYSA-N 324.787 2.555 0 50 DFAA COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cnn(C)c1 191816476 BMGVGKRGRYRESS-JTQLQIEISA-N 323.780 2.740 0 50 DFAA CN(C(=O)c1ccc2ccccc2n1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529189550 RGMACXMBCJAJCA-GEEKYZPCSA-N 310.397 2.856 0 50 DFAA CSc1cccc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c1 1529171907 AOFOMEARKFXKQR-AEFFLSMTSA-N 314.454 2.839 0 50 DFAA Cc1cc(F)cc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)c1 1529168197 ZCEBHKLUVOIFQQ-SJLPKXTDSA-N 300.377 2.565 0 50 DFAA CCCCn1ccnc1C1CCN(C(=O)[C@@H]2CC[C@H](N)C2)CC1 1565509082 KHDMSRWPAFRMAN-CVEARBPZSA-N 318.465 2.517 0 50 DFAA COc1cccc(C2=NO[C@H](C(=O)N3[C@@H](C)CCC[C@H]3C)C2)c1 5029476 BUEYRBXARZZARL-AHIWAGSCSA-N 316.401 2.978 0 50 DFAA CN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1 5586208 PGOQJZVTKWYPPO-UHFFFAOYSA-N 315.442 2.681 0 50 DFAA CCNc1ncnc2sc(C(=O)NCCOC(C)C)c(C)c12 14879344 VGBDBXAGKBDEIG-UHFFFAOYSA-N 322.434 2.586 0 50 DFAA COc1ccccc1CNS(=O)(=O)Cc1ccc(C)cc1 16579410 DLMMQNDHQYDCOK-UHFFFAOYSA-N 305.399 2.623 0 50 DFAA O=C1C[C@H]2CN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2N1 1857673468 JJMMNZREZRXZRG-PKOBYXMFSA-N 322.408 2.586 0 50 DFAA CCOc1ccc(OCCN(C)Cc2ncccc2OC)cc1 1857687197 QVKKVAXCSDLODR-UHFFFAOYSA-N 316.401 3.000 0 50 DFAA Cc1nc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)no1 225453982 WJVDDPGQDXSYPV-YGRLFVJLSA-N 307.781 2.993 0 50 DFAA COc1ccc2cccc(CC(=O)N[C@@H]3CCNC3(C)C)c2c1 423744656 WIWMYWAYNBVRST-QGZVFWFLSA-N 312.413 2.648 0 50 DFAA O=C(NCCc1ccc(Cl)s1)[C@@H]1CCCc2[nH]ncc21 133003434 RUXBTHJQTHVROX-SNVBAGLBSA-N 309.822 2.903 0 50 DFAA COc1cc(O)c2c(c1)O[C@H](c1cc(O)cc(O)c1)CC2=O 14728401 YEYLMQKEGSQNGZ-AWEZNQCLSA-N 302.282 2.519 0 50 DFAA endogenous,in-man Cn1ccnc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 248089129 BYNQYRZOWYKYGQ-MOPGFXCFSA-N 321.424 2.924 0 50 DFAA C[C@@H]1c2ccccc2NC(=O)CN1C(=O)c1ccc(N(C)C)cc1 1875359497 GAIICRPAPYOCMI-CYBMUJFWSA-N 323.396 2.908 0 50 DFAA CCn1ncc(C(=O)NC2CCN(CCCC(C)C)CC2)c1C 1229697360 UUEIKJWLNZHFIY-UHFFFAOYSA-N 320.481 2.842 0 50 DFAA CCOC(=O)c1ccc(N2C[C@@H](O)C[C@H]2C2CCCCC2)nc1 252515307 IHAVPYOCJGJOCJ-HOTGVXAUSA-N 318.417 2.778 0 50 DFAA C[C@@H]1CCCCN1C(=O)CN1CCCC[C@H]1c1cccn1C 266932775 NBKQFUZNCKOFAE-WBVHZDCISA-N 303.450 2.953 0 50 DFAA O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc2cnccc2[nH]1 821719621 BXYOCGZECVDWLP-RHSMWYFYSA-N 322.368 2.608 0 50 DFAA COC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744849 ISLRTEGYOXMDID-UHFFFAOYSA-N 324.292 2.919 0 50 DFAA COc1cc([C@H]2CC[C@@H](N(C)Cc3nc[nH]n3)C2)cc(F)c1F 2325790841 PPAARJQRXUDVLX-CMPLNLGQSA-N 322.359 2.860 0 50 DFAA CCc1ccccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 123772 RUMWFWKHEUJFHK-LBPRGKRZSA-N 322.364 2.872 0 50 DFAA O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 158575 QIWDUGKJAHJRAE-UHFFFAOYSA-N 301.323 2.577 0 50 DFAA N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O 2464508 DFGNDJBYANKHIO-INIZCTEOSA-N 310.353 2.701 0 50 DFAA biogenic COC(=O)c1ccc(Nc2oc(C)cc(=O)c2C(C)=O)cc1 2581689 XYLVWJXXJBEWBH-UHFFFAOYSA-N 301.298 2.681 0 50 DFAA COc1cccc(CNC(=O)C(=O)Nc2ccccc2Cl)c1 2851523 OISCAEHPVIHCNR-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3)cc2C1=O 4841696 IAXHKIVKAOBXEL-UHFFFAOYSA-N 324.336 2.563 0 50 DFAA O=c1c(CN2CCCC[C@H]2CO)coc2ccc(Cl)cc12 4988852 DXEHFWPVJUYHEG-ZDUSSCGKSA-N 307.777 2.793 0 50 DFAA CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)OCc1ccccc1 6658294 TZNBTMCEMLXYEM-ZDUSSCGKSA-N 319.357 2.656 0 50 DFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1ccccc1Cn1cccn1)C2 102017721 SEQBEVAJRARTFA-BWTSREIZSA-N 311.429 2.788 0 50 DFAA Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)C2=CCCC2)cs1 350048352 IOJFTQCCJLYDRP-ZFWWWQNUSA-N 323.437 2.590 0 50 DFAA CC[C@H](C)n1nccc1NC(=O)COc1ccccc1OC 55271860 OYJKCLIQWULASY-LBPRGKRZSA-N 303.362 2.880 0 50 DFAA CC1(C)CNC(=O)c2nc([C@H]3CCc4ccccc4O3)[nH]c2C1 65433592 LGRIWJKTFWEEFL-CQSZACIVSA-N 311.385 2.788 0 50 DFAA CC(=O)C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 67935358 DJXLERNZDPMDGX-HNNXBMFYSA-N 311.385 2.680 0 50 DFAA CCCOc1ccc2c(c1)CCN(C(=O)Nc1ccnn1C)C2 124976345 MUOBPBPKFNSOQE-UHFFFAOYSA-N 314.389 2.799 0 50 DFAA CCN(CC)c1ncccc1CNC(=O)c1ccc(C)cc1O 67909495 ZCLFQRBZIMLLGW-UHFFFAOYSA-N 313.401 2.872 0 50 DFAA CCOC(=O)N1CCC(NCc2cc(CC(C)C)no2)CC1 65404312 BPXNFOSGMWYUOY-UHFFFAOYSA-N 309.410 2.584 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2cnc3ccccc3n2)C1(C)C 172566504 OWGDPQOOYCFZID-JKSUJKDBSA-N 313.401 2.905 0 50 DFAA COC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 3041663 FDLKQJOWSMMBME-UHFFFAOYSA-N 312.152 2.990 0 50 DFAA Cc1nccn1CCCN1CCC[C@H]1c1nc(C(C)C)no1 77406885 MRGJEAUIDPYCBQ-AWEZNQCLSA-N 303.410 2.925 0 50 DFAA O=C([C@H]1CC(c2ccccc2F)=NO1)N1CCc2ccccc2C1 6738499 NBIWNBWTQWIGOO-GOSISDBHSA-N 324.355 2.904 0 50 DFAA C[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1nnc(N)s1 77408365 BWWQGZKVUUBZBV-SECBINFHSA-N 324.837 2.974 0 50 DFAA C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H]1Cn1cncn1 257365828 SVDVFEMOONQRPU-ZFWWWQNUSA-N 324.388 2.554 0 50 DFAA CC[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1cc(C)on1 328592338 HANFSLNARBIUFM-ZDUSSCGKSA-N 308.378 3.214 0 50 DFAA C[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1nccs1 215612593 MQYVCUCEAIUWGO-GFCCVEGCSA-N 319.430 2.826 0 50 DFAA CC1=CC[C@@H]2CN(C(=O)CCN3Cc4ccccc4C3=O)C[C@@H]2C1 71760313 CHPKBNFEWQMFGV-WBVHZDCISA-N 324.424 2.847 0 50 DFAA COCCN(Cc1ccccn1)C(=O)[C@@H]1CCc2ccccc21 215778265 COCZTRFJDOPKNZ-GOSISDBHSA-N 310.397 2.787 0 50 DFAA CC(C)c1ccc(N[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 72169185 KZEVFZILXDYBOT-INIZCTEOSA-N 303.450 2.950 0 50 DFAA O=C(O)c1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 237967744 CYEMVTXIENCLGB-INIZCTEOSA-N 317.385 2.949 0 50 DFAA CCc1ncc(CN2CCN(Cc3cccc(C)c3)CC2)cn1 72134751 LWTMNGGVNJRTRU-UHFFFAOYSA-N 310.445 2.665 0 50 DFAA COc1ccc(-c2ccc(=O)n(CC(=O)c3ccccc3)n2)cc1 40285068 IZCIFCBUMXQNJO-UHFFFAOYSA-N 320.348 2.802 0 50 DFAA COC[C@@H]1[C@@H](NC(=O)Nc2ccccc2C(C)C)[C@@H]2CCO[C@@H]21 222928662 KGIXAXVNDIDDTJ-FSDCSDTHSA-N 318.417 2.981 0 50 DFAA CCCc1nc(-c2noc([C@H]3CCc4cnn(C)c4C3)n2)co1 289260525 ZMFTVVOHWZMDIW-JTQLQIEISA-N 313.361 2.683 0 50 DFAA O=C(NCC(F)(F)F)Nc1ccc(OC[C@@H]2CCCO2)cc1 46907843 SKQRXJYIQFXLIL-LBPRGKRZSA-N 318.295 2.928 0 50 DFAA O=C(NC[C@@H]1CCCN1)c1ccc(-n2cnc3ccccc32)cc1 178731793 LOLIPMPLLBXCTL-HNNXBMFYSA-N 320.396 2.507 0 50 DFAA COc1cccc(CN(C)C(=O)CC[C@@H](C)N2CCCC2)c1 426726882 MXCHFKXVJFUOAO-OAHLLOKOSA-N 304.434 2.918 0 50 DFAA O=C(c1conc1C1CC1)N1CCC(O)(c2ccccc2)CC1 290799744 SVVCXXGNOGPRLO-UHFFFAOYSA-N 312.369 2.676 0 50 DFAA Cc1nn(C)c2nc(N3CCC[C@@]4(CCCN(C)C4)C3)sc12 95505741 JDQFGGQJKGOJKT-MRXNPFEDSA-N 319.478 2.650 0 50 DFAA CN(CCSc1ccccc1)C(=O)NC[C@H]1CCCCN1C 426477355 IHDZSUDNIFJEAM-OAHLLOKOSA-N 321.490 2.904 0 50 DFAA O=C(Nc1nncs1)N1CCC[C@H](OCc2ccccc2)C1 23192265 IWISBLIEZHWORM-ZDUSSCGKSA-N 318.402 2.751 0 50 DFAA O=C(NCc1ccc(F)cc1)N1CCC[C@@](CO)(CC2CC2)C1 91665225 FNVBBUCCTAGMNA-GOSISDBHSA-N 320.408 2.910 0 50 DFAA CCn1ncnc1[C@H](Nc1nc2c(s1)c(C)nn2C)C1CC1 96142183 PILZYTCVWZQABV-SNVBAGLBSA-N 317.422 2.513 0 50 DFAA CCc1ccc(CN(C(=O)CN2CCCCC2=O)C2CC2)cc1 95497634 GJEQGAQPFGSYLC-UHFFFAOYSA-N 314.429 2.753 0 50 DFAA CCn1ccc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n1 95368951 MYWUBVUKSLWJPL-MRXNPFEDSA-N 313.401 2.981 0 50 DFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1cccnc1Cl 96151953 DHTVURDLCKZZIY-LBPRGKRZSA-N 324.812 2.600 0 50 DFAA C[C@H](C(=O)Nc1ccccn1)N(C)Cc1cc(C(C)(C)C)n[nH]1 244700914 JWEMOTPOIJIXTG-GFCCVEGCSA-N 315.421 2.561 0 50 DFAA Cc1cc(C)cc(N2CCN(Cc3nccn3C3CC3)CC2=O)c1 244884368 YLGHFMRCNVXDGS-UHFFFAOYSA-N 324.428 2.684 0 50 DFAA O=C(CC[C@H]1CCCO1)N1CCC([C@@H](O)c2ccccc2)CC1 298359126 RAQXEOKSKYXQDY-MJGOQNOKSA-N 317.429 2.918 0 50 DFAA O=C(NCCCc1ccccc1)N[C@@H](CO)Cc1ccccc1 298610344 GKUBBFLFSBTRMW-GOSISDBHSA-N 312.413 2.522 0 50 DFAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2O 253590087 CEMLAYQDMWFPDU-DTUHVNBRSA-N 306.446 2.930 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 299740294 YDGNZQSAOYJEFG-MDHDOXDCSA-N 308.372 2.654 0 50 DFAA CN(C)[C@H](CNC(=O)c1ccccc1)c1ccc(F)cc1F 252499898 SIHBIICEEUWOBY-MRXNPFEDSA-N 304.340 2.998 0 50 DFAA Cc1cccc([C@H](NC(=O)C(C)(C)N2CCCC2)C2CC2)n1 299772056 YPDPOIXBWNMCDY-MRXNPFEDSA-N 301.434 2.832 0 50 DFAA C[C@@H]1Cc2cc(NC(=O)Cn3ncc4ccccc43)ccc2O1 827863951 KLTJTYNSVSKZMF-GFCCVEGCSA-N 307.353 2.998 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2n1cnc2cccnc2c1=O 584888235 KEFAXOQAGAAJKN-INIZCTEOSA-N 307.353 2.726 0 50 DFAA Cc1nonc1CN1CCC[C@@H](COc2cccc(F)c2)C1 670439925 LYNMGVFQWSZULC-CYBMUJFWSA-N 305.353 2.808 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(C)CCO[C@H]2C2CC2)[nH]1 1875261143 VOXWBKZHQSDVOA-RBUKOAKNSA-N 324.428 2.886 0 50 DFAA COCCOCn1cc(-c2csc(CCC(C)C)n2)nn1 1875272267 KCQQDVDUKBHVSD-UHFFFAOYSA-N 310.423 2.611 0 50 DFAA COCc1cc(C(=O)N2CC3(CCSCC3)[C@H]2C(C)C)n[nH]1 1875314251 OSGGYAGERDGPHL-CQSZACIVSA-N 323.462 2.550 0 50 DFAA Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)/C=C/CN(C)C)c1 1875376087 ZDVICLQVKABZKO-FWAGDVOXSA-N 316.445 2.919 0 50 DFAA COC[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccn1 1875357954 CZFPPBBXYXWECN-KRWDZBQOSA-N 322.368 2.589 0 50 DFAA FC(F)c1cc(N2CC[C@H](CNc3ccccn3)C2)ncn1 892219749 QJISPNWGOKGDPU-LLVKDONJSA-N 305.332 2.748 0 50 DFAA Cn1ccnc1CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 170609391 AQNKMCDBTAXEGF-UONOGXRCSA-N 304.777 2.963 0 50 DFAA OC[C@H](CNCc1ccc(Cl)c2cccnc12)[C@H]1CCOC1 280259028 JPJTWCNGVKJAOA-KBPBESRZSA-N 320.820 2.623 0 50 DFAA CO[C@@H](C)CNC(=O)NCc1csc(-c2ccccc2)n1 190555524 UNKCKDMQUHDAIQ-NSHDSACASA-N 305.403 2.644 0 50 DFAA COCc1cc(F)ccc1NC(=O)C1CCN(C2CC2)CC1 192842490 UXRPEODGFLOOTB-UHFFFAOYSA-N 306.381 2.785 0 50 DFAA C[C@H]1CN(C(=O)N[C@H](C)Cc2c(F)cccc2F)C[C@H](C)O1 195529466 SGISAVORUPXZAR-WOPDTQHZSA-N 312.360 2.715 0 50 DFAA C[C@@H](O)C1CN(Cc2cc(Cl)ccc2Br)C1 719885736 ZRYLEFZTQWBVOC-MRVPVSSYSA-N 304.615 2.915 0 50 DFAA CO[C@@H]1CCC[C@H](CC(=O)N(C)Cc2ccc(C(=O)O)cc2)C1 668274006 RFJVPLJCQHROFR-GOEBONIOSA-N 319.401 2.939 0 50 DFAA CCc1nc(CN(CCOC)Cc2ccccc2Cl)n[nH]1 1506404445 DMZMFSHTKQSOOL-UHFFFAOYSA-N 308.813 2.669 0 50 DFAA CCc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)s1 1529119748 KSVLJDYJJUZGOR-HIFRSBDPSA-N 316.426 2.693 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)COc3ccccc3C)C[C@@H]21 1704337752 DHMUFOHNCHAFLM-JTDSTZFVSA-N 317.429 2.773 0 50 DFAA C[S@@](=O)(=NC(=O)C1CC1)c1ccccc1Br 1616039511 PPAAEAVUZXIRHY-INIZCTEOSA-N 302.193 2.842 0 50 DFAA Cn1ccc(C(=O)N(CCCO)[C@@H]2CCCc3ccccc32)c1 1615058637 SLXPCWYMYUKBOB-GOSISDBHSA-N 312.413 2.927 0 50 DFAA CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccs1)C3 12653193 DNZBZTRFWBUNER-MRVPVSSYSA-N 316.411 2.820 0 50 DFAA O=C(Nc1ccccn1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 15931586 MKUZWQTYXHPVDW-MWABVPJASA-N 323.400 2.607 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCC3CC(F)(F)C3)n[nH]c21 1857529801 NNWBGYSBHRDKBF-BDAKNGLRSA-N 313.348 2.597 0 50 DFAA O[C@@H](c1ccccn1)C1CCN(c2cnc3ccccc3n2)CC1 1857670281 FOLFWEBXLZLJGI-LJQANCHMSA-N 320.396 2.975 0 50 DFAA Cc1c(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)nc2ccccn12 1857710939 BXFYWZBYMHYSPD-HNNXBMFYSA-N 321.380 2.718 0 50 DFAA C[C@]1(C(=O)NCc2ccc3c(c2)CCCC3)CC12CCNCC2 1857704848 IDNFXIGMMZFSLM-LJQANCHMSA-N 312.457 2.961 0 50 DFAA NCC[C@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21 357386698 YVXRMPFJQNMOKK-UKRRQHHQSA-N 304.459 2.996 0 50 DFAA COc1ncccc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 248742892 RNPHVNOFGLCSDY-BBRMVZONSA-N 320.339 2.676 0 50 DFAA COCc1cncc(C(=O)NCc2ccc(Cl)cc2F)c1 681674453 QZCCWZSXRHQGCO-UHFFFAOYSA-N 308.740 2.951 0 50 DFAA CC[C@@H](NC(=O)CN1CCCCC1=O)c1cc(F)ccc1F 265830220 WGEKEIFFBDTQNM-CQSZACIVSA-N 310.344 2.545 0 50 DFAA Cc1c(NC(=O)C[C@@H]2CCCC2(F)F)cccc1-n1cnnn1 901414392 UIQCOHOSQLBMKR-NSHDSACASA-N 321.331 2.735 0 50 DFAA O=C(N[C@H](c1ccccn1)C1CC1)C(F)(F)c1nccs1 928619082 PCTVJQORSCENJC-NSHDSACASA-N 309.341 2.897 0 50 DFAA COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1F 4856411 BLNRCUKUAHWMHL-ZWNOBZJWSA-N 301.383 2.691 0 50 DFAA Cc1ccccc1[C@@H]([C@H](C)N=c1[nH]cnc2cnccc12)N(C)C 2325751984 NPURETQAIPKSSF-KBXCAEBGSA-N 321.428 2.858 0 50 DFAA COCC[C@@](C)(O)C(C)(C)CNC(=O)[C@]1(C)CCC(F)(F)C1 2325766555 IVQFOKDOTKMVHW-HUUCEWRRSA-N 321.408 2.742 0 50 DFAA C[C@@H](Sc1nnnn1[C@H]1CCOC1)c1nc2ccccc2o1 2325772605 DWZJUNWPUAHLEJ-ZJUUUORDSA-N 317.374 2.629 0 50 DFAA Cn1c2ccc(F)cc2c2cnn(C[C@H]3CCSC3)c(=O)c21 871961105 LNVWVAWNYVESQB-SNVBAGLBSA-N 317.389 2.780 0 50 DFAA Cc1c(CNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cnn1C 269017 SOYWALLSLUHSIQ-PWSUYJOCSA-N 316.232 2.936 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1 804416 SNYRJAMHYHWTAJ-UHFFFAOYSA-N 313.382 2.554 0 50 DFAA Cc1ccc(S(=O)(=O)Oc2cccc3ccc(=O)[nH]c23)cc1 2894445 WKWHTSSNVDOYRY-UHFFFAOYSA-N 315.350 2.604 0 50 DFAA COc1cccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 6702525 BZZTZHDUWCUBBI-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA Cc1nc2c(N(CCN(C)C)C3CCCCC3)ncnc2o1 55393224 JWPUARJIMSOVHO-UHFFFAOYSA-N 303.410 2.627 0 50 DFAA CCS(=O)(=O)N(C)C1CCN(C[C@@H]2CCCC[C@H]2C)CC1 248497839 RKUVZJIJPDPHIP-CABCVRRESA-N 316.511 2.559 0 50 DFAA NC(=O)[C@H](c1ccccc1)N1CC[C@@H](Oc2cccc(F)c2)C1 248437236 BFFAGANKJIQJNF-SJORKVTESA-N 314.360 2.505 0 50 DFAA CC(=O)Nc1ccc(-n2c(CCO)nc3c(C)cccc32)cc1 65395830 ZAXACNXDMPRYQE-UHFFFAOYSA-N 309.369 2.827 0 50 DFAA CCCCn1cc(C(=O)NCc2ccc([C@@H](C)N)cc2)c(C)n1 422891755 WJQVZMHELJOFRM-CYBMUJFWSA-N 314.433 2.941 0 50 DFAA CC(=O)NCc1cc(=O)[nH]c(-c2cc(-c3ccccc3)oc2C)n1 23398535 PAQJACIHHWILFY-UHFFFAOYSA-N 323.352 2.641 0 50 DFAA Cc1cc(Cl)cc2c(N[C@H]3CCS(=O)(=O)C3)ccnc12 1506403322 XOXKRJJNWMAYPJ-NSHDSACASA-N 310.806 2.796 0 50 DFAA Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 87623 DODJAPHNUIAUHU-CHWSQXEVSA-N 311.447 2.718 0 50 DFAA CN(C(=O)OCc1ccccc1)[C@H](Cc1ccccc1)C(=O)O 392031 JDGXKNMKNMSHRJ-MRXNPFEDSA-N 313.353 2.951 0 50 DFAA biogenic Cc1nc(CNC(=O)N2CCC[C@@H]2c2ccccc2C)no1 173549377 JQKAYTLLUUYBJE-CQSZACIVSA-N 300.362 2.733 0 50 DFAA O=C(c1cc2nc(C(F)F)cc(C(F)F)n2n1)N1CCCC1 2789585 ODYCGNGGVDZCAN-UHFFFAOYSA-N 316.258 2.841 0 50 DFAA CN1C(=O)[C@](O)([C@@H]2C[C@@H](C(C)(C)C)CCC2=O)c2ccccc21 4557864 NOXDVAUQYFVDDK-BBEJJTJUSA-N 315.413 2.882 0 50 DFAA COc1ccc(C[C@@H](C)C(=O)Nc2c(C)ccn(C)c2=O)cc1 123853774 XDNCAFVIYYVTJO-CYBMUJFWSA-N 314.385 2.520 0 50 DFAA O=C(O)[C@@H]1[C@H]2CN(Cc3ccc(OC4CCCC4)cc3)C[C@H]21 217178120 MSBHCJIGYARPGY-FVQHAEBGSA-N 301.386 2.770 0 50 DFAA CN(C[C@H]1CCCCO1)c1nc(C(C)(C)C)nc2c1cnn2C 72166918 XSNIKDICFRVHTM-GFCCVEGCSA-N 317.437 2.666 0 50 DFAA CCn1c([C@@H](C)Cn2cc(Br)cn2)n[nH]c1=S 8339806 ISEWCZYXWRJINK-ZETCQYMHSA-N 316.228 2.723 0 50 DFAA CC(C)C[C@H](O)C1CCN(C(=O)c2ccnn2C(F)F)CC1 77419772 SDFDIJNLCPGTIV-ZDUSSCGKSA-N 315.364 2.537 0 50 DFAA CC1=CCCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 253429160 SHAKXONUSIQIFP-OAHLLOKOSA-N 319.449 2.529 0 50 DFAA COc1ccc(CCS(=O)(=O)c2cc(F)ccc2F)cc1 358736783 XPAAILQZOCDBQN-UHFFFAOYSA-N 312.337 2.990 0 50 DFAA O=C(CCc1cc(F)ccc1F)N1CC[C@H](N2CCCC2)C1 363121979 IROOVONPSLFMNL-HNNXBMFYSA-N 308.372 2.594 0 50 DFAA CSc1cc(C)ccc1CNC(=O)N[C@](C)(CO)C1CC1 132241117 RFVMFODTYQBSIJ-MRXNPFEDSA-N 308.447 2.677 0 50 DFAA Cc1cc(N2CCCC[C@H]2CNC(=O)c2ccccc2)nc(C)n1 133089210 RJRPASSXSRLRJE-KRWDZBQOSA-N 324.428 2.882 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1sc(C2CCCC2)nc1C 237274979 CXENXPPJBCPIRC-CYBMUJFWSA-N 307.463 2.933 0 50 DFAA Cc1c(N[C@@H]2CCC[C@H]2[C@H]2CCCN2)cnn1C1CCOCC1 333794843 GUIKQCSSBXGHOC-GVDBMIGSSA-N 318.465 2.876 0 50 DFAA O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1 156763387 HJYHKMTZADADHI-INIZCTEOSA-N 318.392 2.737 0 50 DFAA Cc1[nH]c2ccccc2c1CCNc1ncnc2c1CCNCC2 72428785 TXMOXNIWTDREEG-UHFFFAOYSA-N 321.428 2.609 0 50 DFAA COc1ccc(CN(Cc2ccccn2)C[C@H]2CCCO2)cn1 215827363 AUUWJJWXWKEREO-QGZVFWFLSA-N 313.401 2.666 0 50 DFAA Nc1c(C(=O)c2ccc(OCC(=O)O)cc2)oc2ccccc12 34465562 MOLLUFQVIBRAMA-UHFFFAOYSA-N 311.293 2.709 0 50 DFAA Cc1ccc(F)cc1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F 288678555 UDKIKGXAUXHMMX-NSHDSACASA-N 311.300 2.753 0 50 DFAA C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 229219806 HNORXKKNZQNNBZ-GDBMZVCRSA-N 324.428 2.567 0 50 DFAA Cc1cc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)c(C)o1 221225411 YAZHIDDJZMBOSJ-KRWDZBQOSA-N 314.385 2.877 0 50 DFAA Cc1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)n1 91893249 OVRSCXXXBPGEDU-JKSUJKDBSA-N 324.380 2.639 0 50 DFAA CN(Cc1cnc2ccccn12)c1nccc(-c2cccnc2)n1 96153415 BJWWHTTZWIYFNP-UHFFFAOYSA-N 316.368 2.823 0 50 DFAA CC[C@H]1CN(c2ncnc3c2Cc2ccccc2OC3)CCO1 97594734 AAGSSOPWWMYQEG-AWEZNQCLSA-N 311.385 2.575 0 50 DFAA Cc1oc2c(c1C(=O)N1CCC[C@@]3(CCOC3)C1)C(=O)CCC2 91461104 MCDMLMOEYMUGQL-GOSISDBHSA-N 317.385 2.750 0 50 DFAA Cc1nn(C)c2nc(N[C@H](CC(C)C)c3ncnn3C)sc12 96140645 MUTQOYOJPXQPGU-SNVBAGLBSA-N 319.438 2.666 0 50 DFAA Cc1cc(F)ccc1NC(=O)CN1CC(N2CCCC[C@@H]2C)C1 244633389 GCDZBCCIFPXUPH-AWEZNQCLSA-N 319.424 2.631 0 50 DFAA CCc1ncc(S(=O)(=O)N[C@@H](CC)c2ccc(F)cc2)[nH]1 822655556 WYJSFRAFNCCUEF-LBPRGKRZSA-N 311.382 2.541 0 50 DFAA CC(C)Cc1cc(CNC(=O)c2cnc(O)c(Cl)c2)on1 821483393 SQXCSWSUGWBZOK-UHFFFAOYSA-N 309.753 2.557 0 50 DFAA C[C@H](c1ncc(Br)cn1)S(=O)(=O)C(C)(C)C 585136559 KRDIXQWYCRQNOV-SSDOTTSWSA-N 307.213 2.513 0 50 DFAA C=CC(=O)N1CCC(C(=O)Nc2ccccc2OCCC)CC1 1875365647 KHFTZTLGHLUIDT-UHFFFAOYSA-N 316.401 2.839 0 50 DFAA COC(=O)Cc1ccc(OC[C@H]2C[N@]2CC(C)C)cc1Cl 1875381947 MCADXVHQUAFWOO-ACJLOTCBSA-N 311.809 2.775 0 50 DFAA c1ccc2c(c1)OC[C@@H](CCNC1CSCCSC1)O2 952960529 NRFKVEKGYJJFQT-CYBMUJFWSA-N 311.472 2.655 0 50 DFAA O=C(c1occ2c1CCOC2)N1CCC[C@@H](C2CCOCC2)C1 886156725 MFRLLCQOMGTKQG-CQSZACIVSA-N 319.401 2.631 0 50 DFAA COC(=O)[C@H]1C[C@H](Nc2cccc3c2CCN3C(C)=O)C1(C)C 1775991552 GUTFLMZVCGLVMI-CJNGLKHVSA-N 316.401 2.595 0 50 DFAA CCc1cc(N[C@H](CO)C(C)(C)C)nc(-c2ccncc2)n1 170593660 AKPADVWSOIMIOX-CQSZACIVSA-N 300.406 2.920 0 50 DFAA CCS(=O)(=O)c1ccc(NCCc2ncc(C)s2)cc1 170604479 IRUAUDJHBWMJHD-UHFFFAOYSA-N 310.444 2.900 0 50 DFAA CNC(=O)[C@@H]1CCCN(Cc2ccc(CC(F)(F)F)cc2)C1 638074391 WTDXHMZDXKMIBH-CQSZACIVSA-N 314.351 2.749 0 50 DFAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccc2ccccc2c1 644073307 RNVRDGTXRJRVNH-OTWHNJEPSA-N 324.424 2.557 0 50 DFAA COCc1nc(OC)cc(N2CC(C)(C)[C@@H]2c2cccnc2)n1 644131883 ADDBSLUMEBSRSH-INIZCTEOSA-N 314.389 2.614 0 50 DFAA CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1ccc2[nH]ccc2c1 192942566 GJWGHFZVKXSXPJ-MNOVXSKESA-N 303.362 2.877 0 50 DFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1COc2ccccc21 653331329 PPKXYIMXNQPCTE-OWCLPIDISA-N 323.348 2.592 0 50 DFAA CCN1CCCC[C@@H]1CNc1nc2cc(C(=O)O)ccc2n1C 1506396428 RKMGOKIJLPYIBZ-CYBMUJFWSA-N 316.405 2.558 0 50 DFAA CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)N2CCCCC2)C1 1506427664 MAPLUKZPUOEKHJ-UKRRQHHQSA-N 300.468 2.618 0 50 DFAA COc1cc(O)ncc1C(=O)NCc1cc2c(s1)CCCC2 1615002881 PWWOIZHBCSLXHU-UHFFFAOYSA-N 318.398 2.666 0 50 DFAA CC(C)N1CCC[C@H]1C(=O)Nc1c(-c2ccccc2)ncn1C 1615040058 FCRHFWVQXIRHHO-HNNXBMFYSA-N 312.417 2.898 0 50 DFAA Cc1onc(-c2cccs2)c1C(=O)N1CC[C@@]12CCOC2 1615550858 XDPHCGDRXUEFCM-HNNXBMFYSA-N 304.371 2.717 0 50 DFAA C[C@H](CO)N(C)S(=O)(=O)c1csc2ccc(Cl)cc12 305745279 VECHDYILNQYKAV-MRVPVSSYSA-N 319.835 2.556 0 50 DFAA OC[C@H](O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1772812145 BYGSPBJYPGEYAO-HNNXBMFYSA-N 322.405 2.519 0 50 DFAA Cn1cc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)cn1 12054858 CMMRICXFIVMVBY-LJQANCHMSA-N 313.445 2.627 0 50 DFAA O=C([C@H]1CCCO1)N1CCc2onc(-c3ccccc3F)c2C1 15068600 XVVWXBNGVFINKJ-OAHLLOKOSA-N 316.332 2.544 0 50 DFAA CC(C)c1csc(-c2nccn2CC[C@@H]2CNCCO2)n1 1857673225 LOQJFIYLQLJLRX-GFCCVEGCSA-N 306.435 2.509 0 50 DFAA Cc1cc(NC(=O)N[C@@H]2CCc3c(O)cccc32)nn1C(C)C 421175095 ZTPKYMVRNNLVFM-CQSZACIVSA-N 314.389 3.287 0 50 DFAA COc1cc(F)cc2sc(NC(=O)[C@H]3CCCCO3)nc12 126941370 SYSLRODRKGDEKR-SECBINFHSA-N 310.350 2.952 0 50 DFAA CC[C@@H](c1ccc(F)cc1F)N1CCN([C@H](C)C(=O)O)CC1 236981055 ZYXRSDVCOSTHDF-ABAIWWIYSA-N 312.360 2.507 0 50 DFAA COc1ccnc(N2CCN(c3nc4cc(C)ccc4o3)CC2)c1 265099572 DJVPTTPQEOOYGU-UHFFFAOYSA-N 324.384 2.866 0 50 DFAA O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cnc[nH]1 816791223 HAZRNCFBEVBOKH-SJORKVTESA-N 307.353 2.614 0 50 DFAA CC(C)Cc1ccc(-c2noc([C@H](C)n3cccn3)n2)c(O)n1 904231868 NWGDIOBJPRVGQE-NSHDSACASA-N 313.361 2.842 0 50 DFAA CCc1nc([C@@H](C)NC(=O)c2ccc3c(c2)C(C)(C)CO3)n[nH]1 810801442 TXKZOPKWVLNVCP-SNVBAGLBSA-N 314.389 2.528 0 50 DFAA C[C@H]1CN(Cc2nc(-c3ccc(F)cc3)no2)Cc2c[nH]nc21 931455200 VHKJGKWMTJDKFZ-JTQLQIEISA-N 313.336 2.718 0 50 DFAA CSCCOC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1 900688989 PQPWJFUSXRKFNI-AWEZNQCLSA-N 307.415 2.588 0 50 DFAA O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCOCC1 31983 JDEJCWAWJWGCAY-UHFFFAOYSA-N 307.353 2.702 0 50 DFAA CN(Cc1ccon1)Cc1cn(C)nc1-c1ccccc1F 12094555 PUSQLFRYNXYIOT-UHFFFAOYSA-N 300.337 2.846 0 50 DFAA CC(C)CNC(=O)c1ccc(I)cc1 341479 HCDWQZWTRRDGHG-UHFFFAOYSA-N 303.143 2.677 0 50 DFAA CCN1Cc2nnc(-c3cccc(O)c3)n2[C@@H](CC(C)C)C1=O 2356143695 SKYVEIYLBSCXGZ-AWEZNQCLSA-N 314.389 2.600 0 50 DFAA Cc1cc(C)c(C(=O)OCCNC(=O)c2cccnc2)cc1C 2687836 QVUXNEMFXJBSLK-UHFFFAOYSA-N 312.369 2.594 0 50 DFAA COc1c(Cl)cc(S(=O)(=O)N2CCCC2)cc1Cl 8714797 JLXLZHDINBHYRK-UHFFFAOYSA-N 310.202 2.787 0 50 DFAA CCCC[C@H]1CCCN1C(=O)c1cccc(NCC(=O)O)c1 55325410 RMEFHLZELFDHQB-HNNXBMFYSA-N 304.390 2.978 0 50 DFAA CCCn1nccc1C(=O)N(CCOC)Cc1cccs1 55060638 XWCFNXHMTAOUBA-UHFFFAOYSA-N 307.419 2.643 0 50 DFAA O=C(NC1CC1)[C@@H]1CCCN1c1ccnc2c(F)cc(F)cc12 134896972 WOWPCJJRXZQQEP-HNNXBMFYSA-N 317.339 2.760 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 249682653 CDSIYYRAMVLLEG-JKSUJKDBSA-N 318.465 2.727 0 50 DFAA CC(C)[C@@H](Cn1ccnc1)NC(=O)CCN1CCCCCCC1 63856438 RHUFGPJYKLRYOU-QGZVFWFLSA-N 320.481 2.680 0 50 DFAA C[C@H](Cn1ccnc1)NCc1cc(-c2ccc(F)cc2)no1 67856342 CIZMVUDEEPRZSK-GFCCVEGCSA-N 300.337 2.856 0 50 DFAA CC(C)Oc1ccc(CNC(=O)c2cc(C(C)C)on2)cn1 120559282 ZVOYXEYGTFIGOL-UHFFFAOYSA-N 303.362 2.910 0 50 DFAA Cc1nn(C)cc1NC(=S)NCCc1ccc(Cl)cc1 2799954 CEOYZCRXHCJZHX-UHFFFAOYSA-N 308.838 2.911 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 282136065 PQKCXHWFABRQBS-KSZLIROESA-N 317.429 2.989 0 50 DFAA C[C@@H](CN1CCN(CCOc2ccccc2)CC1)C(F)(F)F 72407853 OFBYFPMSMNVVOT-AWEZNQCLSA-N 316.367 2.881 0 50 DFAA OCc1ccc(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 253394683 IRPHOQWQIQTLNK-YJBOKZPZSA-N 319.351 2.765 0 50 DFAA CO[C@H](CNc1ncnc2[nH]ccc12)c1cccc(Cl)c1 361171553 NNOFGLMNPAZIIB-CYBMUJFWSA-N 302.765 3.411 0 50 DFAA CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1cncc(Cl)c1 330862740 XQDYYXGSBZVGKP-LLVKDONJSA-N 300.811 2.712 0 50 DFAA CC(C)(NC(=O)C1[C@H]2CCCC[C@H]12)C(=O)NCC1CCCC1 127018124 UXDDUNAPAZKTFT-KBPBESRZSA-N 306.450 2.624 0 50 DFAA Cc1nccnc1[C@@H](C)NC1CC(O)(Cc2cccc(F)c2)C1 364845111 FRWUXYOWTYYELD-IMUUDWKMSA-N 315.392 2.711 0 50 DFAA Cc1nc(CC(=O)N2CC(Oc3c(C)cccc3C)C2)cs1 72424562 REZXTAAMUCCHPD-UHFFFAOYSA-N 316.426 2.901 0 50 DFAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccnc2ccccc12 363681824 FTRWUTOIPJNQCI-CQSZACIVSA-N 322.368 2.863 0 50 DFAA CC[C@@H]1CN(C(=O)c2cc[nH]c2C(C)C)C[C@]2(CCOC2)O1 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307.346 2.995 0 50 DFAA COc1ccccc1-c1noc([C@H](C)NC(=O)C(C)(C)C)n1 4998250 VPIMAJMEIZLDCC-JTQLQIEISA-N 303.362 2.969 0 50 DFAA CC(=O)Nc1ccc2c(c1)nc(CCn1nc(C)cc1C)n2C 6665065 IHRYNIKWGCCJSL-UHFFFAOYSA-N 311.389 2.588 0 50 DFAA Brc1ccc(CN2CCC3(CC2)OCCO3)cc1 6726530 MJANUFLPRSVKPI-UHFFFAOYSA-N 312.207 2.788 0 50 DFAA O=C(NCCN1CCCCC1)NC12CC3CC(CC(C3)C1)C2 6727001 VEQRTFGNBDVMGA-UHFFFAOYSA-N 305.466 2.740 0 50 DFAA C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)[C@H]1CCCO1 6731617 RSCHSTJGWYSDLB-NOZJJQNGSA-N 301.745 2.542 0 50 DFAA Cc1cccc(-c2nc3ccccc3c(=O)n2CCN(C)C)c1 9183948 HWAYJVRACSLYFN-UHFFFAOYSA-N 307.397 2.934 0 50 DFAA COC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2C)c1 10112240 HCXRGTHLCMVCOQ-UHFFFAOYSA-N 319.382 2.724 0 50 DFAA CCN(Cc1nccn1C)C(=O)c1ccc(NCC(C)C)nc1 11935170 GRWVBFRUBSOEOQ-UHFFFAOYSA-N 315.421 2.545 0 50 DFAA CC(C)c1ccc(O[C@H](C)C(=O)NC2CCN(C)CC2)cc1 12383016 BLYNVAYGLDLIIS-CQSZACIVSA-N 304.434 2.788 0 50 DFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(N)=O)c1 12671522 AHNDRYMQVNUGBX-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA CCc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1 20191938 QLSYXWJSPATSDL-UHFFFAOYSA-N 319.386 2.529 0 50 DFAA FC(F)(F)c1ccccc1CN1CCN(c2ncccn2)CC1 22591854 UEUVHWKEEVGKGP-UHFFFAOYSA-N 322.334 2.818 0 50 DFAA COc1cc2c(cc1OC)[C@@H]([C@H](CO)c1ccccc1)NCC2 32099023 LWYTYZPLXISSCU-APWZRJJASA-N 313.397 2.667 0 50 DFAA CCc1c(C)sc2ncn([C@H](C)c3nncn3CC)c(=O)c12 43040672 MTNAQWKVWWQRHY-SECBINFHSA-N 317.418 2.550 0 50 DFAA CCSc1ncc(CN(Cc2cnn(C)c2)CC(C)C)cn1 55054172 DQSHUYYVTIUKSH-UHFFFAOYSA-N 319.478 2.980 0 50 DFAA O=CN1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 55142178 WNQQELOBWKUGAE-UHFFFAOYSA-N 304.777 2.874 0 50 DFAA C[C@@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccncc1 71738526 AVBNPSHRTJFBAX-LBPRGKRZSA-N 318.340 2.999 0 50 DFAA CCCC[C@@H]1C=CCN1C(=O)c1cc(C(C)C)n2ncnc2n1 71747711 YSOZBMHUIRLFQX-CYBMUJFWSA-N 313.405 2.819 0 50 DFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1ccccc1[C@@H]1CCNC1 72143680 OUPLRKXRDKLLRD-CQSZACIVSA-N 324.428 2.636 0 50 DFAA COCC1(CNC(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72454336 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Cn1ccc(-c2noc([C@@]3(C)CC(c4ccccc4)=NO3)n2)n1 874435215 NFNYXLKBNAPFLC-MRXNPFEDSA-N 309.329 2.510 0 50 DFAA COc1c(C(=O)N2CCOC[C@@H]2CC2CC2)[nH]c2ccccc12 886471117 IDNQXNGANHTRQG-ZDUSSCGKSA-N 314.385 2.818 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)CN2CCCC[C@H]2C)c1C 952963086 HOXPMUGAPLZEMJ-LLVKDONJSA-N 316.405 2.698 0 50 DFAA COCC(=O)Nc1ccc(OC)cc1NC(=O)C1(C)CCCC1 952972433 GVOZBECTBIPYFL-UHFFFAOYSA-N 320.389 2.799 0 50 DFAA O=C(c1conc1C(F)(F)F)N1CCC([C@@H]2CCCO2)CC1 1362348753 GGQQCZNQSUQALG-NSHDSACASA-N 318.295 2.725 0 50 DFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cccn2C2CC2)C1 1506403332 TVBMIONEFQDHPR-CQSZACIVSA-N 323.396 2.953 0 50 DFAA COc1ccc([C@H](C(=O)O)N(C)Cc2c(C)noc2C)cc1F 1529179583 CTLIZQIEHATDMK-OAHLLOKOSA-N 322.336 2.697 0 50 DFAA Cn1ccc2c(C(=O)N3CC[C@H](c4cnccn4)C3)cccc21 1597496103 IBWKXGFNTDWVKZ-ZDUSSCGKSA-N 306.369 2.598 0 50 DFAA Cc1c(C(=O)N2CC[C@@H](CO)C(F)(F)C2)cnc2ccccc12 1615044792 KCOZFSRHRISNBU-LBPRGKRZSA-N 320.339 2.633 0 50 DFAA CCOc1ccc(CC(=O)N[C@H](CC)c2c(C)noc2C)nc1 1615621942 GRXDEMFXELYZSB-OAHLLOKOSA-N 317.389 2.895 0 50 DFAA CN(C)c1nc2c(c(NCC[C@@H]3CCCOC3)n1)CCCC2 1704297697 BKFVMITXYCJLMJ-ZDUSSCGKSA-N 304.438 2.650 0 50 DFAA CCCCc1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1 1772702361 JNIWOUZXUYQONV-RTBURBONSA-N 303.446 2.860 0 50 DFAA CC[C@@]12C[C@@H]1CN(C(=O)c1cnc(-c3cccnc3)nc1C)C2 1772818353 QVSRBJLYKBBTBE-KDOFPFPSSA-N 308.385 2.719 0 50 DFAA CC(C)(O)[C@@H]1CCN(C(=O)c2ccc(F)c3cccnc23)C1 1775183431 YYDBZEBXXWKVLD-LLVKDONJSA-N 302.349 2.607 0 50 DFAA Cc1c(C(=O)N2CC[C@@H](CCCO)C2)n[nH]c1-c1ccccc1 1775986474 SQNYTGPTPRCLQO-CQSZACIVSA-N 313.401 2.620 0 50 DFAA O=C1NCc2ccc(C(=O)N3CC[C@@H]3c3ccccc3)cc2N1 1776003571 XZVNJDVYXABXND-MRXNPFEDSA-N 307.353 2.909 0 50 DFAA Cc1nc[nH]c1CN1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857670656 WRXKYRDOXJZJBY-UHOSZYNNSA-N 311.429 2.676 0 50 DFAA Cc1nonc1OCCn1ccnc1-c1cccc2cnccc12 1857684238 FAGFNPAOXKDHKR-UHFFFAOYSA-N 321.340 2.869 0 50 DFAA CCC(=O)Nc1cncc(C(=O)N2CCc3ccc(C)cc3C2)c1 2325766568 OOMMXDQPPLHVBV-UHFFFAOYSA-N 323.396 2.937 0 50 DFAA NC1CCN(Cc2ccc(-c3cnn4c3CCCC4)cc2)CC1 2325778203 IRXBWQKOHKXXHG-UHFFFAOYSA-N 310.445 2.810 0 50 DFAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@@H]1C[C@H]1C 2325841983 LIISWWMVRFGKQL-UISBYWKRSA-N 303.337 2.639 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 103804 CXKVQYHAKCFHRZ-XPTSAGLGSA-N 306.337 2.795 0 50 DFAA O=c1c2sc(=Nc3ccccc3)[nH]c2nc2n1CCCS2 1857795680 MWFTZXRIXOYEFD-UHFFFAOYSA-N 316.411 2.514 0 50 DFAA COc1ccc(CC(=O)Nc2ccccc2C(=O)O)cc1OC 264124 TXHQHQSMOXLSFH-UHFFFAOYSA-N 315.325 2.583 0 50 DFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1F 276284 DHJBIFQKIDWHJV-UHFFFAOYSA-N 300.333 2.915 0 50 DFAA COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1OC 1081537 ZIIAJIWLQUVGHB-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vivo CCc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)cc1 2356143673 RVHNOZUKQJSDDB-HNNXBMFYSA-N 308.385 2.530 0 50 DFAA COc1ccccc1NC(=O)COc1ccc(C=O)cc1OC 4071391 BRLSKFDZAFKPBU-UHFFFAOYSA-N 315.325 2.534 0 50 DFAA COC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1 4808872 CCFDWGBIVFJGRI-HNNXBMFYSA-N 324.405 2.790 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1 4866915 LBUTXNWYZPOZHN-XHDPSFHLSA-N 310.419 2.502 0 50 DFAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccncc1 100639178 DFNXVWCXNOEUPR-GFCCVEGCSA-N 300.745 2.857 0 50 DFAA COc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1 53666560 IQSFZUYWGSGSKV-UHFFFAOYSA-N 324.424 2.696 0 50 DFAA COC(=O)c1sc(N)nc1-c1ccc(Br)cc1 57657816 DUXXDFXQLKZPAC-UHFFFAOYSA-N 313.176 2.941 0 50 DFAA Cc1cc(CN(C)[C@@H](C)c2ccccn2)c(C)n1-n1cnnc1 67433908 WQXCBYUPFAXSIC-HNNXBMFYSA-N 310.405 2.596 0 50 DFAA Cc1cc([C@@H]2CCCN(C(=O)c3cccc4[nH]cnc34)C2)[nH]n1 252496494 PJTJLQDZAYTTBB-GFCCVEGCSA-N 309.373 2.614 0 50 DFAA C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1 1078 YJQZYXCXBBCEAQ-ACJLOTCBSA-N 301.386 2.742 0 50 DFAA biogenic,in-man C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)[C@H]1CCCO1 372026 COKYVJRWFPJIJA-NOZJJQNGSA-N 321.760 2.744 0 50 DFAA CCOC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 759503 HJZVCJFHKAMSPE-UHFFFAOYSA-N 311.385 2.923 0 50 DFAA Cc1nn(C)cc1/C=C1\N=C(S)N(C2CCCCC2)C1=O 2790782 YQMQHHLFGFTFRZ-JYRVWZFOSA-N 304.419 2.530 0 50 DFAA CC[C@H](c1ccc(OC)c(OC)c1)N1C(=O)CN(C(C)C)C1=O 328594766 BIMULGRTBRMCOQ-CYBMUJFWSA-N 320.389 2.828 0 50 DFAA O=C(CCc1cscn1)NCc1nccn1-c1ccccc1 253392685 CRWFEUWBUMLEJJ-UHFFFAOYSA-N 312.398 2.578 0 50 DFAA CCOC(=O)CCC[C@H](C)N[C@@H]1CCCCC[C@H]1C(=O)OC 253369755 HVCQZPADCKESHR-RRFJBIMHSA-N 313.438 2.820 0 50 DFAA CN([C@H]1CCCc2cccnc21)S(=O)(=O)c1cccs1 253431889 VELXBXGPYJJZTE-LBPRGKRZSA-N 308.428 2.841 0 50 DFAA CC(=O)C1(c2ccccc2)CCN(Cc2nnc(C)s2)CC1 72119500 OIMIUCDQYIGVIB-UHFFFAOYSA-N 315.442 2.969 0 50 DFAA C[C@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)C[C@@H](C)N1 153262318 UPWWZCMEZXBGCA-OKILXGFUSA-N 311.385 2.696 0 50 DFAA C[C@@H](C(=O)N1CCC([C@H]2C[C@@H](N)CCO2)CC1)c1ccccc1 333271201 KMRIPJDTHGSFRQ-FHLIZLRMSA-N 316.445 2.535 0 50 DFAA COCC(COC)NC(=O)c1oc2c(C)ccc(C)c2c1C 456260736 QSYCYPMKINRIOV-UHFFFAOYSA-N 305.374 2.749 0 50 DFAA O=C(NCC1CCCCC1)c1ccc(CN2CCOCC2)cc1 72437892 UVNHJRSPPUUAPO-UHFFFAOYSA-N 316.445 2.829 0 50 DFAA O=C(Nc1nc(C2CCC2)cs1)N[C@@H]1CC[C@@H]2CNC[C@@H]2C1 333346843 QTQHYMIKPMPYKB-FRRDWIJNSA-N 320.462 2.920 0 50 DFAA O=C1NC[C@]2(CCCN(c3nc4ccccc4s3)CC2)O1 72125659 KHJCIIWFHGIUCE-OAHLLOKOSA-N 303.387 2.765 0 50 DFAA COc1cccc(CNC(=O)c2ccc(Cl)cc2OC)n1 128587538 YIGGQDWRTHJZTP-UHFFFAOYSA-N 306.749 2.682 0 50 DFAA Cc1nc(CN2CCC[C@@]2(CO)Cc2ccccc2)oc1C 375470387 POFCRLBGUBPSGA-SFHVURJKSA-N 300.402 2.861 0 50 DFAA O=C(NCCc1ccc(O)cc1)N1CC(Cc2ccccc2)C1 378046856 YXHQWNZRXNSJIX-UHFFFAOYSA-N 310.397 2.819 0 50 DFAA Cn1ccnc1-c1nccn1Cc1ccccc1-n1cccn1 71614309 WVXHRVKXORZWCT-UHFFFAOYSA-N 304.357 2.518 0 50 DFAA CC(C)[C@H](CC(=O)O)NC(=O)c1ccccc1C(F)(F)F 136188694 MGHDQECZUBGTAS-NSHDSACASA-N 303.280 2.935 0 50 DFAA C[C@H](CN1CCC[C@@H](N(C)CC(=O)O)CC1)c1ccc(F)cc1 263465897 CQGYXSLQDKSAQU-RHSMWYFYSA-N 322.424 2.800 0 50 DFAA O=C(Cn1ccnc1)N1CCC[C@H](c2ccc(Cl)cc2)C1 223484420 YMGMFQFEUOBPCQ-AWEZNQCLSA-N 303.793 2.943 0 50 DFAA Cc1nc(NCCc2cccc(F)c2)cc([C@@H]2CCOC2)n1 426498789 XLEWTLXKCKONAH-CQSZACIVSA-N 301.365 3.083 0 50 DFAA O=C(NC[C@@H](O)c1cccc(O)c1)c1cnoc1-c1ccccc1 426535468 LLXDEHIAQNADNA-MRXNPFEDSA-N 324.336 2.511 0 50 DFAA CNC[C@H]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 178968274 UGWDDCVELWDQBS-LLVKDONJSA-N 319.792 2.677 0 50 DFAA CCn1ncnc1[C@@H](NC(=O)Cn1ccc2ccccc21)C1CC1 426387906 YMEMKNSGSFKPIW-KRWDZBQOSA-N 323.400 2.520 0 50 DFAA CNc1ncc(C(=O)NC2(c3ccccc3Cl)CC2)cn1 97775820 OJJLVHKLLDIXEC-UHFFFAOYSA-N 302.765 2.591 0 50 DFAA c1ccc2c(c1)C[C@H](CN1CCC(c3nc[nH]n3)CC1)CCO2 95504361 OTRPNGSDIOZRJL-CQSZACIVSA-N 312.417 2.626 0 50 DFAA Cc1nc(C(=O)NC[C@H](c2sccc2C)N(C)C)cs1 96149322 NVSAVIHMQYOXHQ-GFCCVEGCSA-N 309.460 2.854 0 50 DFAA Cc1nc(CSC23CC4CC(CC(C4)C2)C3)n(CCO)n1 96162359 XPKQTWPTTHRGTM-UHFFFAOYSA-N 307.463 2.781 0 50 DFAA CC(C)CN1CCC(c2nnc(CN3CCCCC3)n2C)CC1 96151780 HRKDKFZWLJFECG-UHFFFAOYSA-N 319.497 2.636 0 50 DFAA COC[C@H]1CCN1C(=O)c1csc(Cc2ccccc2F)n1 294495232 XHCPMAXLXLZGFZ-GFCCVEGCSA-N 320.389 2.734 0 50 DFAA CCCc1nnc(N2CCC(CCC(=O)N3CCCC3)CC2)o1 95360619 XXDUKSZGWQTQSA-UHFFFAOYSA-N 320.437 2.641 0 50 DFAA O=C(CCSCc1ccccc1)NC[C@H]1CCCCCN1 243892580 AJESROMAWOUWFM-MRXNPFEDSA-N 306.475 2.958 0 50 DFAA CC[C@@H](NC(=O)c1c(C)c2ccccc2n1C)[C@H]1C[C@H](O)C1 244899846 ZRJZEYMAOCDCIZ-UMVBOHGHSA-N 300.402 2.766 0 50 DFAA Cc1ccc2cc(C(=O)N[C@@H]3CCO[C@H]3c3cc[nH]n3)ccc2n1 628205563 UOFAKIXQERWMCU-NVXWUHKLSA-N 322.368 2.526 0 50 DFAA CCOc1ccc(CNC(=O)N[C@H]2CCCOCC2)cc1F 183565589 BLAGCZOLTFORHU-ZDUSSCGKSA-N 310.369 2.593 0 50 DFAA Cc1nn(-c2cccc(F)c2)c2nc3c(c(N)c12)C(=O)CCC3 618257305 UPPBFIDEIVFLMX-UHFFFAOYSA-N 310.332 2.969 0 50 DFAA Cc1nc(C)c(CSc2nnc([C@H]3CCCNC3)n2C)s1 534656119 QVGDQMKTOMRUMQ-NSHDSACASA-N 323.491 2.648 0 50 DFAA CCN(CC(F)(F)F)C(=O)c1ccc(-c2nc(=N)cc[nH]2)cc1 534644225 USWDNFYOHANIPV-UHFFFAOYSA-N 324.306 2.581 0 50 DFAA C[C@@H](c1ccccc1-n1cccn1)n1cnc2ncccc2c1=O 584891539 DYDOBYGEHBOZNF-ZDUSSCGKSA-N 317.352 2.587 0 50 DFAA O=C(CCn1cnc2cc(F)c(F)cc21)N1CCCC12CC2 1875297137 DMABAMFIQSZXBM-UHFFFAOYSA-N 305.328 2.860 0 50 DFAA CC(C)COc1cccc(CN(C)[C@@H]2CC[S@](=N)(=O)C2)c1 1875273095 QSDUIRJQAZKKOU-VFNWGFHPSA-N 310.463 2.972 0 50 DFAA CC(C)C[C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(=O)o1 1875312466 DHVIFWWMRLSCGB-CQSZACIVSA-N 315.369 2.733 0 50 DFAA CC(C)c1ccc(-c2nc(C(=O)NC[C@H](F)CO)cs2)cc1 1875353992 NHICZADJKALBIA-ZDUSSCGKSA-N 322.405 2.994 0 50 DFAA FC(F)(F)Cn1nc(-c2ccco2)nc1[C@@H]1CCCCN1 952872576 RKHJOVDRBMBQFO-VIFPVBQESA-N 300.284 2.915 0 50 DFAA Cc1cccc(C2=CCN(c3nc(O)c4c[nH]nc4n3)CC2)c1C 897572475 ZIJHMSOMMUAMFE-UHFFFAOYSA-N 321.384 2.969 0 50 DFAA Cc1c[nH]cc1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 408520636 PDKCNOLWZGNOBY-OAHLLOKOSA-N 311.429 2.917 0 50 DFAA CN(C(=O)CN)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 170046815 BPZGHVQLHLRBQK-MRXNPFEDSA-N 306.768 2.986 0 50 DFAA COC(=O)c1ccc(NC(=O)c2ccoc2C)c(N(C)C)c1 170611439 AKICZDKAWIHLLH-UHFFFAOYSA-N 302.330 2.693 0 50 DFAA COCCN(C(=O)[C@@H]1CCC[C@H](C(=O)O)C1)[C@H]1CC[C@@H](C)C1 668300780 WUURRNMBFVVPLU-KBXIAJHMSA-N 311.422 2.541 0 50 DFAA Cc1ccc2occ(CC(=O)N3C[C@H]4[C@@H](N)CCC[C@H]4C3)c2c1 638164279 KGIVMHRQVPTIBP-XKQJLSEDSA-N 312.413 2.870 0 50 DFAA OCCN(Cc1ccccc1Oc1cccnc1)CC(F)F 193417228 AOYHNTNYRGEIJY-UHFFFAOYSA-N 308.328 2.933 0 50 DFAA CN(C(=O)Cc1ccc2c(c1)OCO2)c1c(F)cccc1F 194232443 DEGMKRBKJSZSBM-UHFFFAOYSA-N 305.280 2.899 0 50 DFAA CN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(OCC(=O)O)cc1 652072306 UFBFZUOXTYJMLZ-DVOMOZLQSA-N 315.369 2.715 0 50 DFAA Cc1noc([C@@H]2CCCN2C(=O)c2nc3c(s2)CCCC3)n1 1506425809 GLVKBHASIUJVKB-NSHDSACASA-N 318.402 2.691 0 50 DFAA CCc1cccc(OCCN(C)C(=O)c2cc(C)ncc2O)c1 1506396535 UIBUOYWJZQDQTN-UHFFFAOYSA-N 314.385 2.809 0 50 DFAA C[C@H](Cc1ccsc1)Nc1cncc(C(=O)N2CCCC2)n1 1529161829 RLXFSDWHPXDUIQ-GFCCVEGCSA-N 316.430 2.817 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)CCc2cc(Cl)cs2)C1 237943194 FQBWPNGJGQKKHR-SECBINFHSA-N 301.795 2.657 0 50 DFAA O=C(Nc1cccnc1C1CC1)C1CCN(c2cnccn2)CC1 1615618377 RRLFHLLDLAQGBA-UHFFFAOYSA-N 323.400 2.604 0 50 DFAA Cc1ccc(N(C(=O)C(C)C)[C@H]2C=CS(=O)(=O)C2)c(C)c1 16839796 NQUVJVTYIINFTO-AWEZNQCLSA-N 307.415 2.603 0 50 DFAA c1cc(NCc2cn3cccnc3n2)cc(OC[C@@H]2CCCO2)c1 153000183 PRIQOVBKTYXXBX-KRWDZBQOSA-N 324.384 2.899 0 50 DFAA Fc1ccc(-c2csc3ncnc(N4CCNCC4)c23)cc1 2529534 QPKTYYVLEILPOO-UHFFFAOYSA-N 314.389 2.907 0 50 DFAA Cc1nc(O)c2c(n1)CN(c1nc(C)nc3scc(C)c13)C2 641687865 MOBWVAKSGMNZRD-UHFFFAOYSA-N 313.386 2.632 0 50 DFAA C[C@H]1CCN(C(=O)c2csc(CN)n2)[C@@H]1c1cccc(F)c1 237553562 DDVQZPOQKQIVNG-BONVTDFDSA-N 319.405 2.964 0 50 DFAA Cc1nccnc1COc1ccc(-n2ccn(C(C)C)c2=O)cc1 2325783604 LCPQAZSXYCJOAU-UHFFFAOYSA-N 324.384 2.897 0 50 DFAA C[C@@H]1CNCC[C@H]1Cn1cc(-c2nc3ccccc3s2)nn1 2325800562 TXYYKNGMTBXAOQ-NEPJUHHUSA-N 313.430 2.800 0 50 DFAA CC(C)c1ccc(-c2csc(N3CCNC(=O)C3)n2)cc1 2325866469 MFLSCFMYHBKBNY-UHFFFAOYSA-N 301.415 2.870 0 50 DFAA Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N)ccc(c23)C1=O 508226 NTVPZEBRADKNLL-UHFFFAOYSA-N 306.325 2.563 0 50 DFAA C[C@@H](O)CN(CC(c1ccccc1)c1ccccc1)C[C@@H](C)O 757433 IEGQCXSRWFQPGG-IAGOWNOFSA-N 313.441 2.882 0 50 DFAA CCc1ccccc1NC(=O)C(=O)NCc1ccccc1OC 2330629 MBELIGUKSUFWFY-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA COc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 2692859 GQVJMDGZRNGSQJ-GDBMZVCRSA-N 301.386 2.786 0 50 DFAA Nc1nc(/C=C/c2ccc(O)cc2)nc(-c2ccccc2O)n1 4978049 ZRVHYGMQNPANIV-JXMROGBWSA-N 306.325 2.702 0 50 DFAA CN1C(=O)CN(C(=O)Nc2ccccc2F)[C@@H]1c1ccccc1 225394238 YQUBSVGPAJCCCV-MRXNPFEDSA-N 313.332 2.830 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](c2cccnc2)[C@@H](C(=O)O)C1 103303160 SVLBHGVTLYPVFR-STQMWFEESA-N 306.362 2.507 0 50 DFAA CC(C)C[C@H](CN)NC(=O)NC[C@@H]1CSc2ccccc21 418270290 ZRQDYTNLQLTDDR-CHWSQXEVSA-N 307.463 2.549 0 50 DFAA O=C(CCCn1cncn1)Nc1nc2c(s1)CCCCCC2 55375750 HZLWSVSDINZYAM-UHFFFAOYSA-N 319.434 2.813 0 50 DFAA COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](C(=O)O)C1 136111429 FYWHVWXARAWXJD-UKRRQHHQSA-N 319.401 2.587 0 50 DFAA CCN(CC)Cc1nnc2sc(-c3cc(C(C)C)[nH]n3)nn12 61722158 YKBHSCNJQARIRE-UHFFFAOYSA-N 319.438 2.541 0 50 DFAA Cc1ccc2oc(N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)nc2c1 219563550 WOVIJNUAAGLSJS-VJUNAUMWSA-N 313.401 2.800 0 50 DFAA C[C@H]1CC2(CCNCC2)CN1Cc1cnc2ccc(Cl)cn12 424381176 QPJJXRYQUWZEMH-ZDUSSCGKSA-N 318.852 2.952 0 50 DFAA Cc1nn(CCO)c(C)c1CN[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 229648378 SMVAOUUSDQMEEW-QGPMSJSTSA-N 305.466 2.797 0 50 DFAA CCn1nccc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 372171 DPXDKECZFATGGA-UHFFFAOYSA-N 301.346 2.721 0 50 DFAA CCn1cc(CNC(=O)c2cc(-c3cccs3)on2)cn1 2806369 IRKCRBMMPVBMCC-UHFFFAOYSA-N 302.359 2.550 0 50 DFAA O=C(c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)N1CCCC1 4195567 IQASTBWTESBOFN-UHFFFAOYSA-N 324.306 2.862 0 50 DFAA Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@@H]3CCCOC3)C2)c1 253397395 SRZOVHBOZJRVRD-CXAGYDPISA-N 309.356 2.958 0 50 DFAA CC(C)(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]3C[C@H]32)CC1 253393341 WRVPHWMYZLEHNT-ZNMIVQPWSA-N 306.450 2.576 0 50 DFAA CC(C)c1nc([C@@H]2CCCN2CCOC[C@H]2CCCO2)no1 257365533 KHRLAPQILIKRLD-KGLIPLIRSA-N 309.410 2.526 0 50 DFAA C[C@H](O)CN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 153584910 MMYMTDGCRCVOQW-KWQFWETISA-N 324.730 2.966 0 50 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304.438 2.942 0 50 DFAA CC(C)[C@H](NC(=O)c1cccc(N(C)C)c1)c1nccn1C 299782047 SHIGEZZBRZRFCI-HNNXBMFYSA-N 300.406 2.613 0 50 DFAA CCC[C@H](NC(=O)COc1cccc(F)c1)c1nccn1C 299774282 FUYIBHNTPPMTLC-AWEZNQCLSA-N 305.353 2.596 0 50 DFAA Cc1ccc([C@@H](C(=O)NCc2nc(C)c(C)s2)N(C)C)cc1 825171041 HCYCXAIHOGGBTH-INIZCTEOSA-N 317.458 2.987 0 50 DFAA CCn1nc(C)c([C@@H](C)NC(=O)c2cnc(C(C)=O)s2)c1C 670460961 FLENLUVRGHKQOW-MRVPVSSYSA-N 320.418 2.670 0 50 DFAA COCCc1noc([C@@H]2CCCN(CC3=CCCCC3)C2)n1 670440224 VPJINZRLKWNENO-OAHLLOKOSA-N 305.422 2.938 0 50 DFAA Cc1ccc(OCCN(C)C(=O)NC[C@H]2CCCOC2)c(C)c1 670439333 HRFDWUOJFFSKOF-MRXNPFEDSA-N 320.433 2.750 0 50 DFAA CO[C@@H](C(=O)Nc1cc(C)nc(C)n1)c1cc(F)cc(F)c1 1875276197 DDSMSFIYIDNLHJ-CQSZACIVSA-N 307.300 2.698 0 50 DFAA COCc1c(F)cccc1NC(=O)c1c(C)coc1CC(=O)O 1875286280 NMSFQFLRGWCQCW-UHFFFAOYSA-N 321.304 2.753 0 50 DFAA CC(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3CNC[C@@H]32)cc1 1875267822 PQCONFKXVBYZEN-YESZJQIVSA-N 301.434 2.607 0 50 DFAA C=CC(=O)N(Cc1sc(C)nc1C)[C@@H](C)[C@H]1COC(C)(C)O1 1875381757 GSHDXFDEOIBFSC-WCQYABFASA-N 324.446 2.815 0 50 DFAA c1cc(-c2nnc3n2CCCC3)ccc1OC[C@@H]1C[N@]1CC1CC1 1875385231 PAMQHUBWCFAHAN-AOMKIAJQSA-N 324.428 2.754 0 50 DFAA Cn1cc([C@@H]2CN(Cc3cccc(C(C)(C)C)n3)CCO2)cn1 1875317504 AAYYUERMAXVTCP-INIZCTEOSA-N 314.433 2.686 0 50 DFAA OC[C@H]1CCCCN1CCNCc1cccc(C(F)(F)F)c1 952991480 SKAOMIQMCQXNOI-OAHLLOKOSA-N 316.367 2.642 0 50 DFAA COc1cc(F)ccc1NC(=O)N1CC[C@H](c2ccon2)C1 1775992658 MCYKCVGEVQCMDK-JTQLQIEISA-N 305.309 2.844 0 50 DFAA C[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C1CCN(C)CC1)C1CC1 408516551 DWYPFUAKHKZSNA-YOEHRIQHSA-N 324.509 2.752 0 50 DFAA Cc1csc(CN(Cc2ccccn2)[C@H]2CCCNCC2)n1 275536031 DCNIYMRMDGGJAS-INIZCTEOSA-N 316.474 2.991 0 50 DFAA COC(=O)COc1cccc(CNc2ncnc3ccccc23)c1 169987430 FTJSFDVQQFAAPJ-UHFFFAOYSA-N 323.352 2.794 0 50 DFAA COC[C@@H](C)[C@H](C)NCc1nnc2ccc(C(F)(F)F)cn12 170070028 RATLRTSDBDMMOC-ZJUUUORDSA-N 316.327 2.509 0 50 DFAA OCCN(Cc1cccnc1)Cc1cc(Cl)cc2c1OCC2 170594016 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LWUALUJGOCFHRE-GFCCVEGCSA-N 307.442 2.574 0 50 DFAA COCC(=O)Nc1c(-c2ccccc2)c(C)nc2cc(C)nn12 1875248790 OWLQCQOWYUYEQH-UHFFFAOYSA-N 310.357 2.598 0 50 DFAA COc1ccc2sc(C(=O)N3CCC[C@H]3C(=O)O)c(C)c2c1 237325502 JSJHCRDABLLTRW-LBPRGKRZSA-N 319.382 2.908 0 50 DFAA Cc1c(C(=O)N2CC[C@@H](C(=O)O)C2)oc2c(Cl)cccc12 237763615 ZEVSLXOIDRMJDE-SECBINFHSA-N 307.733 2.941 0 50 DFAA Cc1cccc(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)n1 343093203 GHRAINSXJLURMD-UHFFFAOYSA-N 318.380 2.774 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)N2)cc(-c2ccccc2)c1 2325789370 LTEHKHCHQBXFFZ-DLBZAZTESA-N 324.380 2.806 0 50 DFAA O=C1Cc2cc(NC(=O)C3(c4cccnc4)CCC3)ccc2N1 2325790061 KBCHXEDDXSXACL-UHFFFAOYSA-N 307.353 2.637 0 50 DFAA CCc1nocc1CS(=O)(=O)[C@H](COC)c1ccccc1 899512626 IKEITZHONXCVAU-OAHLLOKOSA-N 309.387 2.540 0 50 DFAA CC(C)C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 256261 JPTWFLUOGADLQV-UHFFFAOYSA-N 317.433 2.586 0 50 DFAA O=C(c1ccccc1)N(c1ccccn1)[C@@H]1CN2CCC1CC2 330919 LYXFYTAGVLTCEA-QGZVFWFLSA-N 307.397 2.823 0 50 DFAA COc1ccc(CNS(=O)(=O)c2ccc(SC)cc2)cc1 1056800 RWFJMHKEPACVMO-UHFFFAOYSA-N 323.439 2.896 0 50 DFAA COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 2497410 BLGVKIROZNOLKU-UHFFFAOYSA-N 324.427 2.831 0 50 DFAA CC(C)(C)OC(=O)N1CCCc2ccc(CCC(=O)O)nc21 2527468 SNBBUGPPZLKWMD-UHFFFAOYSA-N 306.362 2.787 0 50 DFAA COc1ccc(C(=O)NCCOc2cccc(OC)c2)cc1 2838902 FZDVGIWDYJWWJL-UHFFFAOYSA-N 301.342 2.513 0 50 DFAA C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)O)c1 3180297 XNIBPBAYVBMMHE-LLVKDONJSA-N 317.366 2.525 0 50 DFAA CC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 3417047 OBTOEXBSRYLJKL-UHFFFAOYSA-N 306.321 2.983 0 50 DFAA O=C(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCO2 3607214 ZKTGRFYFPBNNQW-UHFFFAOYSA-N 311.337 2.922 0 50 DFAA COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccn1 4412357 KPQLMLPACSVSBE-UHFFFAOYSA-N 319.748 2.954 0 50 DFAA Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2ccccc21 4711959 OLDJWSSZEVRRGK-UHFFFAOYSA-N 320.396 2.536 0 50 DFAA COC(=O)C1(C(=O)OC)[C@H]2Cc3ccccc3[C@H]1c1ccccc12 101051401 RXCOQZIHRYYFAZ-IRXDYDNUSA-N 322.360 2.804 0 50 DFAA Cc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccc(F)cc2)cc1 20399236 QSSTYEAPQAUCFO-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA CNCC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 55244878 OCBCWVHCEVYVEA-UHFFFAOYSA-N 311.385 2.714 0 50 DFAA CCN(CCC1=CCCCC1)C(=O)[C@@H]1CCCN(C(N)=O)C1 65370917 UVRYCTXIEBGBQZ-OAHLLOKOSA-N 307.438 2.516 0 50 DFAA C[C@@H]1CCCN(c2nc3nccc(-c4ccco4)c3c(=O)[nH]2)C1 67601855 WTULHVPTXCGMOI-LLVKDONJSA-N 310.357 2.814 0 50 DFAA CSc1ccc(CC(=O)N2CCC[C@H](N(C)C)CC2)cc1 72168098 YXKYJGYLKYDPID-HNNXBMFYSA-N 306.475 2.894 0 50 DFAA c1cncc(-c2cc(CNCc3nc(-c4ccco4)no3)on2)c1 65462025 BOHPTESMPVYDDS-UHFFFAOYSA-N 323.312 2.669 0 50 DFAA COc1ncccc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 65468627 ONFHFRQQPDJCLZ-DLBZAZTESA-N 316.376 2.580 0 50 DFAA Cc1nc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccs2)co1 65394962 RIJOBSXUUGXSGD-LLVKDONJSA-N 314.370 2.763 0 50 DFAA CCCN1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 20514206 QBTSKETWQQEHIV-GOSISDBHSA-N 305.441 2.822 0 50 DFAA O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCc2cc(Cl)ccc2C1 252504865 VNOPXRDYECZDJT-MLGOLLRUSA-N 322.836 2.959 0 50 DFAA CSc1nc(Cl)cc(N(CCO)Cc2ccccc2)n1 1398322 PBZWXZHWMQJMSS-UHFFFAOYSA-N 309.822 2.851 0 50 DFAA Cc1ncsc1CCCNC(=O)c1ccc2c(c1)OCO2 219702946 MTPFCJCLVQKECZ-UHFFFAOYSA-N 304.371 2.543 0 50 DFAA CCn1nc(C)cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 328613595 SOTWYVKEBYQZDJ-NVXWUHKLSA-N 313.401 2.719 0 50 DFAA CC(C)n1nc(O)c2c1NC(=O)C[C@@H]2c1ccc(F)cc1F 72117746 IWKBFDCTMXUNIC-SNVBAGLBSA-N 307.300 2.922 0 50 DFAA CCc1nc(C)cc(N2CC[C@@H](OCc3csc(C)n3)C2)n1 376382799 MUZCDSOGUDDFNW-CQSZACIVSA-N 318.446 2.908 0 50 DFAA C[C@H]1CCCN(S(=O)(=O)N(C)[C@H]2CCc3ccccc32)C1 240551688 GVKBJNZPXYNHLR-BBRMVZONSA-N 308.447 2.582 0 50 DFAA O=C(Cn1cccn1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71754493 WDEGDZUPUGBYKS-MRXNPFEDSA-N 315.392 2.894 0 50 DFAA CCc1cc(NCc2nnc3ccccn23)n2nc(C)c(C)c2n1 72462996 DAOASONYYINSKL-UHFFFAOYSA-N 321.388 2.563 0 50 DFAA CC1(C)CC[C@@H]1N[C@@H](C(N)=O)c1cccc(Br)c1 284356040 NOZZEVPRLXOPLK-NWDGAFQWSA-N 311.223 2.754 0 50 DFAA CCCn1ncc(C(=O)N2CCCC[C@@H]2CCN(C)C)c1C 72436594 GNYDPUXTIKZXDU-OAHLLOKOSA-N 306.454 2.548 0 50 DFAA Cc1nc(C2CC2)sc1C(=O)N1CC[C@@]2(CCCOC2)C1 606443415 AWKKZJZDLLCQBF-INIZCTEOSA-N 306.431 2.972 0 50 DFAA COc1ccccc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71283486 WNKSUOQGLFKNKR-LLVKDONJSA-N 301.346 2.890 0 50 DFAA CSc1nc(C(=O)N(C)CCC[C@H]2CCCO2)cs1 220581634 FTNPCTKBQMXGRC-JTQLQIEISA-N 300.449 2.896 0 50 DFAA COCc1nc(NCCc2cccs2)cc(C2CC(N)C2)n1 223603858 OLNSNIIHYNQPAF-UHFFFAOYSA-N 318.446 2.544 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)c2ccccc21 177473587 TZPCXXRNCRLHER-LSDHHAIUSA-N 323.348 2.768 0 50 DFAA O=C(NCCc1cc[nH]n1)[C@]1(c2ccccc2)CC12CCCC2 426567187 ZMJRGQBCTLJIKT-LJQANCHMSA-N 309.413 2.971 0 50 DFAA CC[C@H](Cn1ccnc1)n1cnc2c(Cl)cccc2c1=O 43139824 CIMALDLZIFMQRJ-LLVKDONJSA-N 302.765 2.898 0 50 DFAA Cc1nc(CCN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)no1 426434071 LIFUVKHOTOXEQC-UHFFFAOYSA-N 318.421 2.531 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccnn1C(C)C 426373610 LDGBCCVZOOJESA-UHFFFAOYSA-N 303.410 2.509 0 50 DFAA COCC1(NC(=O)c2ccc([C@H]3CCCNC3)cc2)CCCC1 95365464 CDXIDTOTXYYPBI-KRWDZBQOSA-N 316.445 2.843 0 50 DFAA O=C(Nc1cccc2ccccc12)N1CCC[C@@](O)(CO)CC1 96152815 YNFHZUCJTVYVRK-SFHVURJKSA-N 314.385 2.581 0 50 DFAA COc1ccc(CN2CCC[C@@H](CO)CC2)c(OC(F)F)c1 294157459 VURWIQDRTBCQQY-GFCCVEGCSA-N 315.360 2.891 0 50 DFAA Cc1cccn(CC(=O)N[C@@H]2c3ccccc3CCC2(C)C)c1=O 180457581 QGJCVWCZWOBQJR-GOSISDBHSA-N 324.424 2.987 0 50 DFAA O=C1CC[C@]2(CCOC2)CN1CCc1nc2c(s1)CCCC2 91768961 QTEFGCLWMPUQJN-KRWDZBQOSA-N 320.458 2.594 0 50 DFAA O=C(N[C@@H]1CCN(C2CCCCCC2)C[C@H]1O)c1ccccc1 244723843 MIJUBLNHMWYATR-QZTJIDSGSA-N 316.445 2.574 0 50 DFAA CC1(C)CN(CC(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)C1 622744756 JEZLGXFPACRGKE-UHFFFAOYSA-N 304.438 2.840 0 50 DFAA Cn1ncc2c1CN(C(=O)c1cc3c(s1)CCCCC3)C2 623231247 PJDSNKJZGMDFIB-UHFFFAOYSA-N 301.415 2.907 0 50 DFAA CCc1nc(C)c(CNC(=O)c2n[nH]c3c2CCCC3)s1 534589069 CMRLJUJLEZCCJZ-UHFFFAOYSA-N 304.419 2.546 0 50 DFAA COc1ccc(CCN(C)Cc2nnc(C)s2)cc1OC 299762830 YTPRIFXFTZEZDL-UHFFFAOYSA-N 307.419 2.538 0 50 DFAA Cc1cc2oc(-c3ccsc3)c(CC(=O)O)c2c(=O)n1C 828526776 UUHXYROMNALSOM-UHFFFAOYSA-N 303.339 2.796 0 50 DFAA CCCc1cc(C(=O)N2CCC(Cc3cccnc3)CC2)n[nH]1 584893816 XDHJAQDTTRVCHP-UHFFFAOYSA-N 312.417 2.852 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccc(F)c3F)n[nH]c21 1875296076 XUYHQOVZSXYQTB-BDAKNGLRSA-N 321.327 2.640 0 50 DFAA Cc1[nH]nc2ccc(C(=O)N=c3ccn(CCC(C)C)[nH]3)cc12 1875267831 UGSRQUORGHAMIH-UHFFFAOYSA-N 311.389 2.788 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 1875283620 YDUPDYHROKMMPG-AVGNSLFASA-N 315.291 2.522 0 50 DFAA C[C@@H]1CC(F)(F)CN1C(=O)C12CCC(C(=O)O)(CC1)CC2 1875292067 VMAODGINZWWOAC-GWMXKSKGSA-N 301.333 2.668 0 50 DFAA COC(=O)c1cc2c(cc1F)CN(C(=O)C1(C(C)C)CC1)CC2 1875308761 VNAQAZPJMBANEU-UHFFFAOYSA-N 319.376 2.933 0 50 DFAA COc1ccc(CC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cc1 888088902 WUFRFRIWXLTIPM-WMZOPIPTSA-N 316.445 2.618 0 50 DFAA O=C(c1ccc(Cl)o1)N1CCOc2ccccc2[C@H]1CO 887107615 LWWOBMYVADUYQV-LLVKDONJSA-N 307.733 2.501 0 50 DFAA Cn1nc2c(c1/C=C1\C(=O)Nc3ccc(O)c(F)c31)CCCC2 888099211 CTFUENVCGNWFNZ-NTMALXAHSA-N 313.332 2.636 0 50 DFAA CO[C@H](c1nc(-c2cc3c(nc2O)CCCC3)no1)C1CC1 897226032 RHKASQIIXQRLAI-ZDUSSCGKSA-N 301.346 2.814 0 50 DFAA CC[C@H]1CCc2c(sc3nc(-c4cnn[nH]4)nc(O)c23)C1 1775985699 UWTNLGOYHBTMPG-ZETCQYMHSA-N 301.375 2.697 0 50 DFAA O=C(COC[C@H]1CCCO1)N(c1nc2ccccc2o1)C1CC1 585124583 IKZKELZCSMOYQX-CYBMUJFWSA-N 316.357 2.519 0 50 DFAA COc1cnccc1[C@H](C)NC(=O)N1CCOC[C@@H]1CC(C)C 187180248 MFSSKEYIQMJVRL-KBPBESRZSA-N 321.421 2.608 0 50 DFAA Cc1cnn(-c2ccc(C(N)=O)cc2N[C@@H]2CCCSC2)c1 170078098 FIYSSHRPVIRWIG-CYBMUJFWSA-N 316.430 2.587 0 50 DFAA CC[C@@H](c1ccccc1)c1nnc2n1CC[C@H](C(=O)OC)CC2 601043572 DODANLWLYRTYPF-CABCVRRESA-N 313.401 2.946 0 50 DFAA Cc1ccnc(N2CC[C@@H](CN(C)Cc3scnc3C)C2)n1 190445495 LZVJHSZQLIUJEE-AWEZNQCLSA-N 317.462 2.508 0 50 DFAA Cc1cccc(NC(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)n1 190438523 JRWLMAGYTXSGCR-LBPRGKRZSA-N 314.393 2.714 0 50 DFAA CCOC(C)(C)CNC(=O)N1CCC(c2ccncc2)CC1 190663997 OULKLXAEKADBDK-UHFFFAOYSA-N 305.422 2.786 0 50 DFAA CCOC(=O)[C@@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192070740 BKLGAIXLWFCSAW-BIGNPOOSSA-N 315.772 2.850 0 50 DFAA CCN(C)c1ccnc(NCC2(N(C)CC)CCCCC2)n1 1506396824 GZRINGUSSPYWCB-UHFFFAOYSA-N 305.470 2.999 0 50 DFAA C[C@@H]1CCCN(C(=O)c2nn(C)c(Cl)c2C(F)(F)F)C1 1615586096 IKEDUXKBIUPHOW-SSDOTTSWSA-N 309.719 2.964 0 50 DFAA O=C(NCC[C@H]1CCC(F)(F)C1)c1ccnc(-n2cccn2)c1 1615617974 AIAYZGPANKTGMM-GFCCVEGCSA-N 320.343 2.823 0 50 DFAA O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1C1(O)CC1 1772815278 FQJYFGPCWMAXOD-CQSZACIVSA-N 316.426 2.745 0 50 DFAA O=C(Cc1ccccn1)N[C@@H]1CCCN(C2CCCCCC2)C1 11821146 UCZIBMOEWVYGOW-QGZVFWFLSA-N 315.461 2.928 0 50 DFAA CN(C(=O)c1ccccc1Br)[C@@H]1CCCC[C@H]1O 13632599 SWJKGITVNAVWEY-CHWSQXEVSA-N 312.207 2.825 0 50 DFAA CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@@H]1Cc1ccc(C)cc1 18222479 WYWUSXDQKVQCNR-MRXNPFEDSA-N 308.385 2.983 0 50 DFAA CC(C)Oc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc1 19320179 AERSNYCZQDKXPD-UHFFFAOYSA-N 314.429 2.699 0 50 DFAA biogenic O=C(Nc1nnc(C=Cc2ccco2)s1)c1cncc(O)c1 1857533222 NSBDQLJCKSTULT-UHFFFAOYSA-N 314.326 2.654 0 50 DFAA O=C1C[C@H]2CN(Cc3sc4ccccc4c3Cl)C[C@H]2N1 1857675581 AEPXVWUFFSROTN-GXSJLCMTSA-N 306.818 2.875 0 50 DFAA COCc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 225617841 FTUOHKXZFMOVFR-KSZLIROESA-N 317.429 2.989 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCC(=O)NC2(C)C)c(Cl)cc1F 338511363 LXGNJQRHFSRYPK-LBPRGKRZSA-N 312.772 2.575 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cccc(F)c1F 246404934 UILAMYVQWMKMTB-GDLCADMTSA-N 323.339 2.752 0 50 DFAA COc1ccc([C@@H](NC(=O)c2cc(C)ccc2C)C(=O)O)cc1 346017670 PUGSYRBRVGDEHE-MRXNPFEDSA-N 313.353 2.868 0 50 DFAA CC(C)Cc1noc(Cn2cc([C@H](O)c3ccccc3)cn2)n1 902852455 ULUDVGLZXLEKJP-QGZVFWFLSA-N 312.373 2.595 0 50 DFAA CCN(C(=O)[C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1C 930325008 JEPXIDIVJRSDKT-OAHLLOKOSA-N 312.417 2.819 0 50 DFAA O=C1c2ccc(Br)cc2C(=O)N1c1ccc(O)cc1 55183 PISTWGFIBBAFDE-UHFFFAOYSA-N 318.126 2.955 0 50 DFAA O=c1cnn(Cc2nc(C3CCCCC3)no2)c2ccccc12 109528843 WMLJYZBYTDLTAL-UHFFFAOYSA-N 310.357 2.876 0 50 DFAA NC(=O)Nc1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 128185963 FKUUJXJLCZGCNW-HNNXBMFYSA-N 323.396 2.882 0 50 DFAA COc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC 30226 ZXDSIWWBBCROER-UHFFFAOYSA-N 315.369 2.985 0 50 DFAA CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1ccc(OC)cc1 358530 BVGGNNAYEMADKF-CQSZACIVSA-N 320.414 2.896 0 50 DFAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC1CCCCC1 462258 MFXXQAZKNSRQSK-CQSZACIVSA-N 308.447 2.951 0 50 DFAA Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)n1 610008 FLXZRIHEIJSTEF-SECBINFHSA-N 323.805 2.851 0 50 DFAA CC(=O)Nc1ccc(NC(=S)NC(=O)C2CCCC2)cc1 1075488 JSXJKXFAARITCR-UHFFFAOYSA-N 305.403 2.648 0 50 DFAA N=c1nc2c(c[nH]1)CC[C@]21CCCN(c2nccc3occc23)C1 2356159740 OSMUAHBBKUBDKG-SFHVURJKSA-N 321.384 2.515 0 50 DFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1 4113646 NGVRRIWIDCPJEI-MBVDDHJVSA-N 300.358 2.742 0 50 DFAA COc1ccc(-c2noc(CN(C)C(=O)c3ccco3)n2)cc1 4513101 AOUOLYGWJLACAG-UHFFFAOYSA-N 313.313 2.610 0 50 DFAA COc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl 6698174 JNYKDGZESHYREU-UHFFFAOYSA-N 317.819 2.889 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cn1 6706977 FOVITHHZTPRAHC-UHFFFAOYSA-N 316.741 2.684 0 50 DFAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccncc1 6730684 RWDPYOMPVNQPHV-UHFFFAOYSA-N 309.369 2.960 0 50 DFAA C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2ccccc2)CC1 55565647 BMKCFQCWJXHVRI-INIZCTEOSA-N 315.461 2.646 0 50 DFAA CC(=O)c1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 100630730 RARHMMVKTMICRG-KBPBESRZSA-N 303.745 2.911 0 50 DFAA COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 8014174 VBVFRSHATWVRFQ-SNVBAGLBSA-N 312.325 2.667 0 50 DFAA CC(=O)Nc1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1Cl 100749256 CVBAGEDAMLJDDH-RYUDHWBXSA-N 318.760 2.754 0 50 DFAA O=C(Nc1ccccc1OC1CCCC1)N1CCC[C@@H]1CO 118539802 VNYYHFLAKZVRNP-CYBMUJFWSA-N 304.390 2.997 0 50 DFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H]1C=C[C@H]2C1 100176430 DCASHLNTJZUDDR-VDUILEQBSA-N 318.170 2.761 0 50 DFAA FC(F)(F)c1nnc2ccc(NCCc3ccccc3)nn12 20744972 UWKUCYOKXDKILL-UHFFFAOYSA-N 307.279 2.798 0 50 DFAA Cc1cc(C(=O)NCc2n[nH]c3c2CCC3)c2ccc(F)cc2n1 67789335 MZXRLIHBSYHRCA-UHFFFAOYSA-N 324.359 2.824 0 50 DFAA CCCc1cc(CN(C)C(=O)[C@@H]2CC(=O)c3ccccc32)n[nH]1 67946751 FCLSOOHINCJVKR-MRXNPFEDSA-N 311.385 2.691 0 50 DFAA O=S(=O)(N1CCC[C@@H]2CCC[C@@H]21)N1CCC[C@@H]1c1ccco1 229910354 JLIZSUQLJXKLCR-SOUVJXGZSA-N 324.446 2.926 0 50 DFAA C[C@H]1COc2ccccc2N1C(=O)c1cccc(-n2ccnn2)c1 121756718 SKJFKPOWRRXISB-ZDUSSCGKSA-N 320.352 2.695 0 50 DFAA Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3[C@@H](C)N)cc2)c1 121904867 SXHFBTQLERJEKS-RHSMWYFYSA-N 312.417 2.523 0 50 DFAA CCn1c(NCc2cc(C(N)=O)cs2)nc2ccccc21 158914795 MPBAEXDHBYHQSM-UHFFFAOYSA-N 300.387 2.829 0 50 DFAA COc1ccc(F)c(F)c1CN(C)[C@H](C)Cc1cnccn1 216082637 CTWZTEYFFQVDGD-LLVKDONJSA-N 307.344 2.826 0 50 DFAA Cc1ccc(-c2c[nH]cc2C(=O)N[C@H](CO)CC(F)F)s1 430521853 FDUAEDGCESLSLH-VIFPVBQESA-N 314.357 2.798 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCCCc2cccc(F)c2)cnn1C 328620920 HKNKHRKXAXAERM-ZWKOTPCHSA-N 317.408 2.920 0 50 DFAA Cn1cncc1C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1 72476726 UKUFYUHLZZOAFS-UHFFFAOYSA-N 314.776 2.753 0 50 DFAA C[C@@H]1CCc2c(F)cccc2[C@@H]1N1C(=O)[C@@H]2CCCN2C1=O 253394302 AZJVBGLRTASBED-WKPIXPDZSA-N 302.349 2.876 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)COC2 257365834 TXSKHKUXZUBDMQ-QZTJIDSGSA-N 314.429 2.806 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3cccc(O)n3)cc2)c1C 360931798 RNIORARIKBNKJK-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA O=C(N[C@H]1CCCCC12CCCC2)[C@@H]1CCc2nn[nH]c2C1 332897075 LOLBXEYXRAYJPR-DOMZBBRYSA-N 302.422 2.529 0 50 DFAA O=C(NCCc1cnccn1)c1ccc(Oc2ccccc2)o1 219937608 LICRISRCSYIYFN-UHFFFAOYSA-N 309.325 2.834 0 50 DFAA O=c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)[nH]1 72123835 BWQNKDCUGJMRFZ-UHFFFAOYSA-N 317.352 2.925 0 50 DFAA CCOc1ccc2cc(C(=O)N3CCCC[C@@H]3C(=O)O)[nH]c2c1 236881680 DNURYKMFBIGKAX-OAHLLOKOSA-N 316.357 2.646 0 50 DFAA c1cncc(-c2n[nH]cc2CNC[C@@H]2COc3ccccc32)c1 367408441 UFVCLNSUCVSYFE-OAHLLOKOSA-N 306.369 2.738 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccn1 237260297 FCVQHFRNUUYAKK-CQSZACIVSA-N 311.385 2.698 0 50 DFAA Cc1nsc(N2CCN(Cc3ccccc3)CC[C@H]2C)n1 378414623 ZSKUBSJBXQPOCL-CYBMUJFWSA-N 302.447 2.947 0 50 DFAA Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc[nH]n2)cc1 174300233 IHQXRNWZPXKDTJ-UHFFFAOYSA-N 311.307 2.965 0 50 DFAA Cc1ccc(O)c(Nc2nc(NCCO)c3ccccc3n2)c1 41149972 AWEPKFLKMNLDPB-UHFFFAOYSA-N 310.357 2.792 0 50 DFAA CCO[C@@H]1C[C@@H](NC[C@H]2CC(=O)Nc3ccccc32)C1(C)C 242242335 XTYLLLAHHGSHGN-DAXOMENPSA-N 302.418 2.906 0 50 DFAA Cn1c(NC(=O)c2cnc3ccccc3n2)nc2cc(F)ccc21 174598929 KCMDQODZSWBHOP-UHFFFAOYSA-N 321.315 2.908 0 50 DFAA C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2C)c1cccnc1 174635106 JOBYCJTVZAPWKV-GFCCVEGCSA-N 309.369 2.733 0 50 DFAA Cc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)no1 46501195 ZJIIFSGBDHDZTB-AWEZNQCLSA-N 302.330 2.793 0 50 DFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCc1ccsc1 82137053 KNKKTNDDSNIZLU-CQSZACIVSA-N 308.447 2.540 0 50 DFAA C=CC(=O)Nc1cc(NC(=O)COC2CCCC2)ccc1F 267711660 SJUNBSHKEOCKBN-UHFFFAOYSA-N 306.337 2.848 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)c1cccc(-c2nccn2C)c1 426618114 KIDGVLHSANVITN-UHFFFAOYSA-N 324.384 2.964 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)Nc1ccc2c(c1)COC2 92165638 WAKVGDHCWIGVFG-UHFFFAOYSA-N 301.346 2.986 0 50 DFAA C[C@H]1CCCCN1C1CN(c2ncnc3cccc(F)c23)C1 91809071 UVINHYBYMSSZSR-LBPRGKRZSA-N 300.381 2.832 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)/C=C/c1cnc(C(C)(C)C)s1 237513083 DJGWTGBPAGHBFV-WTIVYXKASA-N 307.463 2.792 0 50 DFAA O=C1N(C2CCCCC2)CCC[C@@]12CCN(c1cnccn1)C2 95373095 YLDCQMQWWVEFEE-SFHVURJKSA-N 314.433 2.628 0 50 DFAA CC(C)OCCC(=O)N(C)Cc1ccc(Br)o1 298389794 JXFSSSXUSNYBGU-UHFFFAOYSA-N 304.184 2.816 0 50 DFAA Cc1cccc(CC2(NC(=O)c3cn(C)c(C)cc3=O)CC2)c1 534666195 CTKRVRZPXWCDKL-UHFFFAOYSA-N 310.397 2.507 0 50 DFAA CCc1nccn1CCCNC(=O)Nc1ccc2cn[nH]c2c1 299770793 RMOYQUIUAYOZCB-UHFFFAOYSA-N 312.377 2.534 0 50 DFAA CN1CCC(NC[C@H](c2ccccc2F)N2CCCC2)CC1 584893239 VRABMQAIBQVHLC-GOSISDBHSA-N 305.441 2.646 0 50 DFAA CSCC[C@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 269074524 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CCn1cc(CN(C)C2=NC[C@H](c3ccc(Cl)cc3)N2)cn1 2325863497 LRVKNAVFTOOEKT-OAHLLOKOSA-N 317.824 2.689 0 50 DFAA COC(=O)CC[C@@H]1CCCN(C(=O)c2onc3ccccc23)C1 1455397538 BEJVTMKFOWQIEX-LBPRGKRZSA-N 316.357 2.633 0 50 DFAA O=C1C[C@H](Sc2ccccn2)C(=O)N1c1ccc(F)cc1 85273 HGLJFHIZYFFNEK-LBPRGKRZSA-N 302.330 2.645 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 143122 DRHLUFDEXCRIKI-GFCCVEGCSA-N 318.398 2.685 0 50 DFAA Cc1cc(NC(=O)CCCC(=O)O)ccc1Br 402017 SCNLNRVTZLOERY-UHFFFAOYSA-N 300.152 2.951 0 50 DFAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C)cc1 463926 IZOJZQJMPZKKGP-OAHLLOKOSA-N 317.458 2.656 0 50 DFAA Cc1scc(C(=O)NN2CCOCC2)c1-c1ccccc1 1053657 MIGSVXQKEYVGGM-UHFFFAOYSA-N 302.399 2.701 0 50 DFAA Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)cc1 2466106 VMMFOWIYJZIKTH-UHFFFAOYSA-N 309.226 2.882 0 50 DFAA O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 2497326 DYFLGPVPCDXZSJ-UHFFFAOYSA-N 301.173 2.991 0 50 DFAA Cc1ccc(NC(=O)CCN(CCO)Cc2ccccc2)cc1 2765256 STOFHYZOCVCUJU-UHFFFAOYSA-N 312.413 2.818 0 50 DFAA 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0 50 DFAA COc1cccc(C(=O)NCCC(=O)Nc2cccc(F)c2)c1 16647857 LCIPLSWODKTNNQ-UHFFFAOYSA-N 316.332 2.593 0 50 DFAA C[C@H]1C[C@H](C)CN(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)C1 16652371 JUUXPXHUGFVDRA-KBPBESRZSA-N 308.466 2.776 0 50 DFAA Cc1ccc(-c2noc(-c3cccc(OCC(N)=O)c3)n2)cc1 21791945 VQHPBTYHLJMREH-UHFFFAOYSA-N 309.325 2.576 0 50 DFAA O=C(Nc1nncs1)N1CCC[C@@H](OCc2ccccc2)C1 23192261 IWISBLIEZHWORM-CYBMUJFWSA-N 318.402 2.751 0 50 DFAA CC(C)CC[C@@H](C)N1CCC2(CC1)NC(CC1CC1)=NC2=O 63857513 ANAAMSSGWJPZFC-CQSZACIVSA-N 305.466 2.974 0 50 DFAA CCC(=O)NCc1cccc(-n2ccnc2-c2cccnc2)c1 65494208 PHWHDYOEQGOQTA-UHFFFAOYSA-N 306.369 2.961 0 50 DFAA Cc1ccccc1S(=O)(=O)NCC[C@H]1CCCN(C(C)C)C1 67473384 YDJXWCVXUCEJDU-MRXNPFEDSA-N 324.490 2.784 0 50 DFAA c1ccc(CCc2n[nH]c(-c3ccccc3-n3cncn3)n2)cc1 67674623 FBDGSLJTEATAPA-UHFFFAOYSA-N 316.368 2.838 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 72164898 XUFNJLMIBJJTEU-MRXNPFEDSA-N 312.417 2.633 0 50 DFAA Cn1ncc2c(NC[C@H]3CCCO3)nc(C3CCCC3)nc21 72424642 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304.459 2.754 0 50 DFAA O=C(c1ccc(Cl)nc1)N1CC[C@H](CN2CCCCC2)C1 174521580 XSWNPCJMRCTNQU-CYBMUJFWSA-N 307.825 2.683 0 50 DFAA COc1cc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)ccc1F 178008945 ZGGDHBRQUIMBKX-LBPRGKRZSA-N 315.300 2.663 0 50 DFAA C[C@@H](O)CN1CCN(C/C=C/c2ccc(Cl)cc2)C[C@H]1C 179505944 RIDVETSYTOBSPB-LRPXVYOUSA-N 308.853 2.740 0 50 DFAA CC[C@H](N[C@@H](C)c1nccn1C)c1ccc2c(c1)OCCO2 182556446 HCCNMWURUWQIDL-JSGCOSHPSA-N 301.390 2.993 0 50 DFAA COc1ccc(F)cc1CNC(=O)c1cc(C(C)C)nn1C 189423258 SGUPTXBPQFZRBQ-UHFFFAOYSA-N 305.353 2.621 0 50 DFAA C[C@H](C[S@](C)=O)NC(=O)Nc1scnc1-c1ccccc1 193985650 ZVEAOTQGKHDOMU-UZJPJQLHSA-N 323.443 2.699 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 195090797 HBWCXKZJWSHECB-CQSZACIVSA-N 315.413 2.821 0 50 DFAA Cc1cccc(CN2CC[C@H]3[C@H](CCC(=O)N3CC(C)C)C2)n1 216990164 AGCKIPRDPUFYTJ-AEFFLSMTSA-N 315.461 2.859 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 223823979 OHBAHMSAFQCWIU-ZCFIWIBFSA-N 308.186 2.992 0 50 DFAA 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DFAA CC[C@H]1CN(c2ncnc3ccc(F)cc23)CCN1CC(F)F 301864703 FSIOGAJJIKIRDL-LBPRGKRZSA-N 324.350 2.935 0 50 DFAA Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)n1 167396811 XVAPZAHEIGRULZ-MAUKXSAKSA-N 324.380 2.894 0 50 DFAA C[C@H](CN(C(=O)c1cc2cc(F)ccc2o1)C1CC1)C(=O)O 170067867 LUDLHMLXYOFBCQ-SECBINFHSA-N 305.305 2.897 0 50 DFAA CO[C@H]1CN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)C[C@H]1OC 278031139 YONABBPWAVVBTJ-HDICACEKSA-N 324.380 2.807 0 50 DFAA Cc1ccc(F)cc1CN(CCS(C)(=O)=O)C(C)(C)C 170593010 KFERNFASIMWQLR-UHFFFAOYSA-N 301.427 2.779 0 50 DFAA O=C(CCC1CCCC1)NCC(=O)Nc1ccc2c[nH]nc2c1 171086692 JWQCZKPQBLBCOV-UHFFFAOYSA-N 314.389 2.588 0 50 DFAA Nc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccn1 191499424 FZHROCRGVVERGX-UHFFFAOYSA-N 313.245 2.981 0 50 DFAA CC[C@H](NC1CCN([C@@H](C)c2ccccc2)CC1)C(=O)OC 192849747 PPAQKLSEGKOUSL-YOEHRIQHSA-N 304.434 2.753 0 50 DFAA CCn1cnc2c(NCC3(O)CCC(C)(C)CC3)ncnc21 664526029 AKKWZGNJMHDQIT-UHFFFAOYSA-N 303.410 2.589 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc(F)c(F)c2F)s1 1529101593 IKDSVQHEVAPIPI-YFKPBYRVSA-N 317.292 2.915 0 50 DFAA COc1nc(NCCCN2CCCc3ccccc32)ncc1F 1704306060 VABUFTOIXJCSOT-UHFFFAOYSA-N 316.380 2.879 0 50 DFAA CO[C@@H](c1ccccc1)c1noc(CCn2cc(Cl)cn2)n1 1615588137 XJAOVOMRSBFIIM-AWEZNQCLSA-N 318.764 2.898 0 50 DFAA Cc1cc([C@H]2CCCCN2C(=O)c2onc3ncccc23)no1 1775979557 WTTGVUJVURELED-CYBMUJFWSA-N 312.329 2.887 0 50 DFAA COC(=O)c1cccc(OCCOc2cccc(C=O)c2)c1 12336620 BOSYWPGYQGOARI-UHFFFAOYSA-N 300.310 2.744 0 50 DFAA C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 12383271 FUFGKFONLDMVQI-ZWNOBZJWSA-N 317.307 2.768 0 50 DFAA COC(=O)c1cc2c(=O)n(-c3ccccc3F)ccc2nc1C 12409167 OKDVUPDPBVKLLE-UHFFFAOYSA-N 312.300 2.620 0 50 DFAA CN(N)c1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl 153211 HJIICKHXJVAJIT-UHFFFAOYSA-N 319.579 2.503 0 50 DFAA in-vitro CCn1cc(C2CCN(C(=O)C[C@H](O)CC(C)(C)C)CC2)cn1 365874974 AQBGKQICDZPXMK-INIZCTEOSA-N 321.465 2.796 0 50 DFAA O=C1[C@@H](Nc2cccc(CO)c2)CCCN1c1ccccc1F 161823994 CIAMMDCTNSJACU-INIZCTEOSA-N 314.360 2.926 0 50 DFAA C[C@@H](Cc1ccsc1)NC(=O)c1ccsc1CC(=O)O 381066649 SYHNASJUTCAJBZ-VIFPVBQESA-N 309.412 2.798 0 50 DFAA C[C@H](NC(=O)c1ccn(CC(F)F)n1)c1ccc(Cl)nc1 2325738711 ULEMZHLAMQTZGU-QMMMGPOBSA-N 314.723 2.688 0 50 DFAA O=C(Nc1ccc([C@@H]2CC2(F)F)cc1)N[C@@H]1C[C@@H]2COC[C@@H]21 2325782035 QADFFQLITDUKJT-VZZFWQQMSA-N 308.328 2.966 0 50 DFAA O=C1OCCN1c1cccc(NCc2cc(C(F)F)n[nH]2)c1 2325786856 MOANHZPKFAQJJH-UHFFFAOYSA-N 308.288 2.916 0 50 DFAA CSc1nccc(-c2cccc(-c3ccn(CCO)n3)c2)n1 20994234 VEXSZRSSMLPKBF-UHFFFAOYSA-N 312.398 2.721 0 50 DFAA COc1ccccc1C(=O)Nc1sc(C)c(C)c1C(N)=O 35633 HVUXYWMCRWKQDI-UHFFFAOYSA-N 304.371 2.725 0 50 DFAA COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)C1 178454 FOBTXAZQKZKHQT-UHFFFAOYSA-N 310.147 2.633 0 50 DFAA NC(=O)COc1ccc(-c2ocnc2Cc2ccccc2)cc1 2356146419 FHHKDQAGXBXFFF-UHFFFAOYSA-N 308.337 2.797 0 50 DFAA COc1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1 2884209 RUGRJFGVNZDFCZ-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA CCOC(=O)CNc1ccccc1-c1nc2ccccc2[nH]c1=O 4645201 OMLCFLFIALEGPD-UHFFFAOYSA-N 323.352 2.565 0 50 DFAA CCOC(=O)[C@@H]1CCCN(Cc2coc3ccccc3c2=O)C1 4990141 LVHBHBPUCYMFDY-CYBMUJFWSA-N 315.369 2.568 0 50 DFAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(O)c(C(=O)O)c1 6701816 KJWWRRLYGZBRRG-UHFFFAOYSA-N 305.717 2.925 0 50 DFAA COc1ccc([C@@](C)(O)[C@H]2CCCN2CCC(C)(C)O)cc1 225525434 QHLRLQMAGSOKMW-SJLPKXTDSA-N 307.434 2.528 0 50 DFAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)Cc1ccccn1 55358664 MQDWLOWGHZQOHW-UHFFFAOYSA-N 324.359 2.812 0 50 DFAA CC1CCC(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCCN2C)CC1 247487532 KQQOOWWYOKGORK-GPQLOAJWSA-N 323.525 2.876 0 50 DFAA Cc1ccsc1CN(C)c1cc([C@H]2CCCNC2)ncn1 67851950 WHNDIZARTPFICX-ZDUSSCGKSA-N 302.447 2.950 0 50 DFAA COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)Nc3[nH]nc(C)c32)cc1 67771496 RVRHQIKFEFPLTE-GFCCVEGCSA-N 323.356 2.591 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cccc(F)c1 21791629 XWVFYIHYBHKNIF-AWEZNQCLSA-N 324.377 2.956 0 50 DFAA CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 1576243 NFVNYBJCJGKVQK-CYBMUJFWSA-N 304.346 2.688 0 50 DFAA biogenic Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)c1 253599790 VVZGNGKFAMSBHL-ARFHVFGLSA-N 313.401 2.969 0 50 DFAA C[C@@H]1C[C@H](NC(=O)NCCc2cccc(Cl)c2)CN1C1CC1 154552849 PDUGHXGKEOXHGW-DOMZBBRYSA-N 321.852 2.807 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1c1ccccc1 366303339 IYVKCRYGDAWMCT-OFTJQPPSSA-N 311.337 2.620 0 50 DFAA O=C(Cn1nc2ccccc2n1)N1CCCC[C@H]1c1ccccn1 215979372 KGCMCHYHEHYDIV-KRWDZBQOSA-N 321.384 2.580 0 50 DFAA O=C(N[C@@H]1CCCC(F)(F)C1)N1CCC(c2ncc[nH]2)CC1 332353410 YYUBXGZBVJJNEQ-GFCCVEGCSA-N 312.364 2.877 0 50 DFAA Cc1ccc(C2CCN(S(=O)(=O)c3ccc(C)o3)CC2)cn1 332430847 WJKVWXYVBDXDLR-UHFFFAOYSA-N 320.414 2.860 0 50 DFAA CCO[C@H]1C[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 332428104 IDOUREMANGLWME-DTORHVGOSA-N 304.173 2.996 0 50 DFAA Cc1c(NS(=O)(=O)c2cncc(F)c2)cnn1C1CCCC1 333194421 WSIYDZUWNXXKBS-UHFFFAOYSA-N 324.381 2.642 0 50 DFAA CCCn1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1C 237053433 MFGKMXXJQDAJQO-AWEZNQCLSA-N 321.421 2.627 0 50 DFAA COc1ccccc1CCC(=O)N1CCC[C@@H](CCC(=O)O)C1 237146074 RTWHADHHDOWFJF-AWEZNQCLSA-N 319.401 2.731 0 50 DFAA Cc1ocnc1C(=O)NCCN1CCC2(CCCCC2)CC1 374205358 PAPNEWLOOIATKI-UHFFFAOYSA-N 305.422 2.759 0 50 DFAA O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCC[C@@H]1c1ccc(F)cc1 241173024 KFJILAOKCZOLPO-KFWWJZLASA-N 302.349 2.888 0 50 DFAA Cc1cccc(OCCN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 284818201 ODPMDEKKIAJMQK-GUDVDZBRSA-N 319.445 2.626 0 50 DFAA C[C@@H](C1CCN(Cc2ccc(CCN)cc2)CC1)N1CCCC1 72473360 IKXOAORAJSQMHU-KRWDZBQOSA-N 315.505 2.884 0 50 DFAA CO[C@@H]1CCCC[C@H]1NC1CCN(Cc2ccccn2)CC1 341604083 JUJYIVCDRSMHMW-QZTJIDSGSA-N 303.450 2.593 0 50 DFAA CC(C)=CCN1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 426361282 MEWKEYFIKWVFAG-MRXNPFEDSA-N 317.481 2.557 0 50 DFAA CC1(C)Cc2cc(CNC(=O)Nc3cnns3)ccc2O1 96140206 VRCJBQLKBVEOCW-UHFFFAOYSA-N 304.375 2.573 0 50 DFAA Cc1nc(C)c(CC(=O)NCCSc2ccccn2)s1 97772787 ZQKHPTNEIXOMAD-UHFFFAOYSA-N 307.444 2.606 0 50 DFAA CN(C)C1(CNc2nccc(-c3cnn(C)c3)n2)CCCCC1 23192582 WYUMNVBZTGJGHG-UHFFFAOYSA-N 314.437 2.554 0 50 DFAA NC(=O)CCn1cc(/C=C/c2ccc(C(F)(F)F)cc2)cn1 96149970 ZCZOSQGXSBQVHW-OWOJBTEDSA-N 309.291 2.948 0 50 DFAA CCOC(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 96147947 CINHDYMLELIWLY-UHFFFAOYSA-N 301.346 2.600 0 50 DFAA O=C(O)CCCCN1CCC(c2nc3ccccc3[nH]2)CC1 181581725 QNBQDBIUAZNADJ-UHFFFAOYSA-N 301.390 2.997 0 50 DFAA COc1cccc2c1OC[C@@H](C(=O)NCCCC(F)(F)F)C2 91350655 ISCQCGXXKUSESC-NSHDSACASA-N 317.307 2.705 0 50 DFAA Cc1[nH]nc(CCC(=O)NCc2nc3c(s2)CCCC3)c1C 244873626 WTERPXMWBKNDCQ-UHFFFAOYSA-N 318.446 2.611 0 50 DFAA CCCN(Cc1nccn1C)C(=O)Nc1ccc2c(c1)COC2 244633245 FZRPJAPHUFDLPN-UHFFFAOYSA-N 314.389 2.894 0 50 DFAA c1ccc2c(c1)OC[C@@H](CCc1nccnc1N1CCCC1)O2 244695558 JORAPBXROOXKTF-CQSZACIVSA-N 311.385 2.849 0 50 DFAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)c1cc2cccc(F)c2o1 628206277 WRTZSVXRCOGSEV-IAQYHMDHSA-N 315.304 2.555 0 50 DFAA O=C(NCCCc1ccco1)N1CCC[C@@H](c2ncc[nH]2)C1 534634151 SGGGALYVLJAHAA-CYBMUJFWSA-N 302.378 2.525 0 50 DFAA CCCCOc1cccc(NC(=O)N2CC[C@H]3CNC[C@H]32)c1 299756044 BYCXWXWHODBAAL-XJKSGUPXSA-N 303.406 2.691 0 50 DFAA CSc1cncc(NC(=O)[C@@]2(N)CCc3ccccc3C2)c1 952882180 UPFSUZLWYPMRGR-QGZVFWFLSA-N 313.426 2.628 0 50 DFAA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3cccc(C#N)c3)c12 71311758 YYMVRBCGSJNFQT-CJNGLKHVSA-N 315.380 2.766 0 50 DFAA O=C(O)[C@H](NCc1ccc2c(n1)CCC2)[C@@H]1C[C@H]2CC[C@H]1C2 1875291966 RGLDGXMFJBAWQE-QDFMMOOJSA-N 300.402 2.549 0 50 DFAA CC1(C)COCC[C@H]1NCc1ccnc(OC2CCOCC2)c1 1875285208 GSDMNRCUBGMVKP-MRXNPFEDSA-N 320.433 2.544 0 50 DFAA CCOc1ccc2nc(N3CCc4n[nH]cc4C3)sc2c1 1875286275 NITPISXYHXCWCO-UHFFFAOYSA-N 300.387 2.981 0 50 DFAA COCC[C@@H](C)N(C=O)Cc1ccnn1-c1ccccc1C 1875325606 QLDLQBLYJCYHIE-OAHLLOKOSA-N 301.390 2.564 0 50 DFAA CC1(C)Cc2cc(C(=O)NC3([C@@H]4CCNC4)CC3)sc2C1 1875404455 JMUXNYUCNZHVQL-GFCCVEGCSA-N 304.459 2.745 0 50 DFAA Cc1ccc(C(=O)NC2CC2)cc1NC(=O)Nc1ccsn1 1775992060 JBERMIAQFYJGLI-UHFFFAOYSA-N 316.386 2.988 0 50 DFAA NC1CCC2(CC1)C[C@@H]2C(=O)NCCc1ccc2ncccc2c1 1775961265 LRUWVLMQWUEEOY-OHTSDLOESA-N 323.440 2.801 0 50 DFAA C[C@@H](c1cncnc1)c1nc(-c2cc3c(nc2O)CCCC3)no1 897223660 ULWPQYLRYMCGGQ-JTQLQIEISA-N 323.356 2.658 0 50 DFAA O[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C[C@@H]1F 897385070 HJYVZPIWYIYBGP-HOCLYGCPSA-N 324.359 2.601 0 50 DFAA CCOC(=O)CCSCc1cc(C(=O)OC)ccc1OC 1189892717 RUJZLOYEJDPAHD-UHFFFAOYSA-N 312.387 2.668 0 50 DFAA Cc1nc(C)c(CN(CCC(N)=O)c2ccc(F)cc2)s1 169996315 HDIWNLPDRXHVFY-UHFFFAOYSA-N 307.394 2.781 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 170067770 BXVMHQHVNDAQRN-WDEREUQCSA-N 305.717 2.917 0 50 DFAA CC[C@]1(C)CN(C(=O)N[C@@H]2CCOc3ccccc32)CCO1 170604069 UKNQANXCOVPVEC-RHSMWYFYSA-N 304.390 2.721 0 50 DFAA O=C(C1CCN(c2ncnc3sccc23)CC1)N1CCCC1 170620591 SIMFBWOZOSQWLS-UHFFFAOYSA-N 316.430 2.530 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)ccn1 171805331 DTVYBWRIRUNIQT-WMZOPIPTSA-N 323.396 2.938 0 50 DFAA CC[C@]1(CO)CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 189624041 PMFRBJNZGAWQJJ-MRXNPFEDSA-N 320.824 2.658 0 50 DFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 190639230 VKMJECAVNZFHJJ-MSOLQXFVSA-N 313.445 2.718 0 50 DFAA COCCNc1ccccc1NC(=O)c1[nH]nc2c1CCCC2 191200778 WXXNAVFBKXCCFE-UHFFFAOYSA-N 314.389 2.599 0 50 DFAA Cc1nscc1C(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1 191405023 QQURFVRCRRNBCU-VIFPVBQESA-N 304.371 2.967 0 50 DFAA Cc1noc2ncnc(NCc3ccnc(OCC4CC4)c3)c12 192452783 LGDWCPSFZJCVRT-UHFFFAOYSA-N 311.345 2.722 0 50 DFAA C[C@H](C[S@@](C)=O)NC(=O)Nc1scnc1-c1ccccc1 193985679 ZVEAOTQGKHDOMU-LADRHHBVSA-N 323.443 2.699 0 50 DFAA Cc1nnc([C@H]2CN(c3ccnc(C)c3Cl)C[C@@H](C)O2)o1 664501615 QIMFYGPLPNAWNM-PRHODGIISA-N 308.769 2.701 0 50 DFAA CCc1noc(C)c1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529117907 DQAFARWSLCZYRP-NMWPEEMBSA-N 319.449 2.736 0 50 DFAA CC1(C)CC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC(C)(C)N1 1704339003 BIDMIVGUMWQFNC-NVXWUHKLSA-N 317.477 2.538 0 50 DFAA COc1ccccc1CN(Cc1cnc(C(=O)O)cn1)C(C)C 1772707177 KWPNKHZEYNWFMF-UHFFFAOYSA-N 315.373 2.594 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](CC)c2ccccc2)C1 5666229 BTVNYNOTJHDXSS-HZPDHXFCSA-N 303.402 2.982 0 50 DFAA CN(C)C(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 5550009 LGKNVCWWLDQCSG-UHFFFAOYSA-N 316.332 2.545 0 50 DFAA CCN(CC)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 11753691 QYNWZNDRRNBRPN-MRXNPFEDSA-N 318.465 2.532 0 50 DFAA CCN1CCN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 13708548 PBHPWDOVJYYTKP-OAHLLOKOSA-N 312.413 2.771 0 50 DFAA O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NC1CC1 15071568 WAQTUTWLHYNGSV-UHFFFAOYSA-N 304.434 2.784 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2ccccc2C)cc1OC 16579136 IRRLKBJTVIUOQN-UHFFFAOYSA-N 321.398 2.954 0 50 DFAA CCCCNc1ccc(C(=O)N2CCC[C@H](COC)C2)cn1 19226484 BNUIQOAKUIESJA-AWEZNQCLSA-N 305.422 2.792 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1ccc(-c2cccnc2)cc1 1857687045 IYIACSRNLUCGLU-KXBFYZLASA-N 321.424 2.944 0 50 DFAA O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1C[C@H]2CC[C@H]1O2 247686935 SFOJIBKPGCSSGL-LZQZFOIKSA-N 306.328 2.727 0 50 DFAA Cc1n[nH]cc1CNC1CCN([C@H](C)Cc2ccccc2)CC1 449157266 PQTSBSBAOKDIIH-OAHLLOKOSA-N 312.461 2.903 0 50 DFAA C[C@@H](NC(=O)N1CCc2nccnc2C1)c1cccc(Cl)c1 660225211 DWOBRFCHUWZGNC-LLVKDONJSA-N 316.792 2.959 0 50 DFAA CCN1CC[C@H](N(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@H](C)C1 262676377 SAQLQJUSLYCNRT-LMSBXDPUSA-N 317.477 2.511 0 50 DFAA O=C(c1ncccc1O)N1CCCC[C@H]1CC1(O)CCCCC1 925042950 AHGQKHZNVHSLTB-AWEZNQCLSA-N 318.417 2.867 0 50 DFAA CCNc1cc(CNC(=O)N=c2cc[nH]c(C)c2Cl)ccn1 930763851 AVYDUHLXSODFEY-UHFFFAOYSA-N 319.796 2.614 0 50 DFAA Cc1cc(C[C@@H]2CCC[C@H]2NCc2scnc2C)n(C)n1 850397911 KCWQLEWAXNSXNQ-DZGCQCFKSA-N 304.463 2.994 0 50 DFAA Cc1cc(OC[C@@H](O)CNC2CCSCC2)ccc1Cl 32533142 FAPYNVODPDLYKS-ZDUSSCGKSA-N 315.866 2.873 0 50 DFAA COc1ccc(Br)c(C(=O)NCC[C@H](C)OC)c1 263711271 ALYCBIUCFPXAKZ-VIFPVBQESA-N 316.195 2.613 0 50 DFAA CCCC[C@@H](C(N)=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1 2325763666 ZRXCKPZFNYNTPA-BBRMVZONSA-N 314.433 2.786 0 50 DFAA CNCCCCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 2325795505 JCIHACIYWQZVLA-UHFFFAOYSA-N 300.406 2.817 0 50 DFAA COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H]3C[C@@](F)(CO)C3)C2)c1 2325805541 PUUAEYLBUDJUSR-HRNGHTAHSA-N 321.392 2.510 0 50 DFAA CN1Cc2ccccc2[C@@H]1CNC(=O)c1cc2scnc2[nH]1 2325811373 SWAIKEOYOHMEII-ZDUSSCGKSA-N 312.398 2.541 0 50 DFAA C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN2C[C@H](C)C[C@@H]2C1 2325853905 GVHIQDIUBDXZKL-QLFBSQMISA-N 311.429 2.765 0 50 DFAA Nc1cc(C(=O)Nc2ccc3n[nH]cc3c2Cl)ncc1F 2325861654 WKUJMVQQZIHMBG-UHFFFAOYSA-N 305.700 2.585 0 50 DFAA Cc1ccccc1-n1cc(CN2CC(Cc3ccoc3)C2)nn1 898160206 VLSOKLXCALGLJI-UHFFFAOYSA-N 308.385 2.843 0 50 DFAA CC(C)[C@@H](NC(=O)Nc1cc2ccccc2nn1)c1cnn(C)c1 931796733 CWHCGNBALRFFPA-MRXNPFEDSA-N 324.388 2.882 0 50 DFAA Fc1ccc(/C=C/CN2CCC[C@@H](N3CCOCC3)C2)cc1 20906509 LOQBNTCAVFNXEK-ZDBPOJEVSA-N 304.409 2.636 0 50 DFAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 103793 QGRLIADDLJHMLU-ZUZCIYMTSA-N 318.373 2.665 0 50 DFAA Cc1csc2ncc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n12 4121109 NMZMGSFXGCZTEL-NSHDSACASA-N 313.382 2.555 0 50 DFAA C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccccc2)C1=O 4269203 JWYHVXCUFQZPFL-DIFFPNOSSA-N 310.378 2.960 0 50 DFAA O[C@H](CN1CCCC[C@H]1Cn1cccn1)c1cc(F)ccc1F 247769416 NINJVFNNGHCLPC-WMLDXEAASA-N 321.371 2.749 0 50 DFAA COc1ccc2c(C)nc(N(C)C[C@]3(C)CCN(C)C3)nc2c1 67757026 RZUGTRKISAGTSC-GOSISDBHSA-N 314.433 2.725 0 50 DFAA O=C1C[C@@H](Sc2ccccn2)C(=O)N1c1ccc(F)cc1 100115757 HGLJFHIZYFFNEK-GFCCVEGCSA-N 302.330 2.645 0 50 DFAA CC1=C(C(=O)N(Cc2ccsc2)CC(C)C)[C@H](C)NC(=O)N1 67817787 FADRVEOKRCAILQ-NSHDSACASA-N 321.446 2.708 0 50 DFAA OCCN(CCO)Cc1cccc(Oc2ccc(Cl)cc2)c1 23283030 RFEDPPLIQNDGHH-UHFFFAOYSA-N 321.804 2.919 0 50 DFAA COCC(C)(C)N(C)CC(=O)N[C@H](C)c1cc(C)ccc1C 1506400415 MNBSJZSLHYUCCM-OAHLLOKOSA-N 306.450 2.837 0 50 DFAA O=C(O)N1CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1 116573241 RQKXXLKNQCPWKG-UHFFFAOYSA-N 309.675 2.554 0 50 DFAA COc1ccc(/C=C/CN2CCN(c3nccnc3C)CC2)cc1 65495204 VIDUIUIECPYVCS-ONEGZZNKSA-N 324.428 2.629 0 50 DFAA CC1(C)CCCC[C@@H]1NCc1csc(CS(C)(=O)=O)n1 119823258 ZIWIXOIFAYTBEE-LBPRGKRZSA-N 316.492 2.746 0 50 DFAA CCN(C[C@H]1CCCO1)C(=O)Nc1cc(-c2ccco2)nn1C 252485039 GMUVQFZIXZFIHX-GFCCVEGCSA-N 318.377 2.713 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)Cc1ccon1 328635425 USGZSWVPQFAURN-LLVKDONJSA-N 305.403 2.561 0 50 DFAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cnc[nH]2)no1 355085596 QEZQHSYDHZWKLJ-LBPRGKRZSA-N 303.366 2.674 0 50 DFAA COc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCNC1 328640800 QERSLKIAGKJXBA-QGZVFWFLSA-N 311.429 2.702 0 50 DFAA COC(=O)CC[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1N(C)C 11911494 AUSXIDIEHLVCRT-DOTOQJQBSA-N 322.424 2.531 0 50 DFAA CC(C)c1ccc(OCCC(=O)N2CC[C@H](C(=O)O)C2)cc1 236676436 HGONQZOYIHZLBG-AWEZNQCLSA-N 305.374 2.512 0 50 DFAA OC1=Nc2cc(CN3CCOCC4(CCC4)C3)ccc2OC1 329209233 YZKIOAXIUQVOIT-UHFFFAOYSA-N 302.374 2.670 0 50 DFAA CCc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 6359211 GJDGHFHTAVLYLW-UHFFFAOYSA-N 305.399 2.736 0 50 DFAA Cn1ccc(CSc2nnc(-c3ccccc3F)n2C)n1 253401065 VAFFMWAADODRJM-UHFFFAOYSA-N 303.366 2.647 0 50 DFAA COc1cccc([C@H]2CCCN2C(=O)Cc2cc(C)no2)c1 77355057 HENVRAWHSUIZAR-MRXNPFEDSA-N 300.358 2.898 0 50 DFAA C[C@H](CCc1ccccc1)NC(=O)c1cnn(C)c1-n1cccc1 30858892 RSGNJRAZEVANBG-OAHLLOKOSA-N 322.412 2.962 0 50 DFAA Cn1nccc1C(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F 241644278 PPQOSFMFQVGYRE-OAHLLOKOSA-N 323.318 2.896 0 50 DFAA CCN(C)C[C@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 174471956 NOGWSAXUMDBCDZ-GFCCVEGCSA-N 304.365 2.986 0 50 DFAA O=C(COc1ccc(F)c(Cl)c1)NC[C@@H]1CCCCO1 49224321 CSFDRUOSQNMLQE-NSHDSACASA-N 301.745 2.543 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)N2CCCc3ccccc3C2)n[nH]1 178526963 SRDRKSVWZHSBTP-CYBMUJFWSA-N 312.417 2.807 0 50 DFAA O=C(c1cncc(Cl)c1)N1CCC[C@H](c2ccncn2)C1 221418374 WTYLNQPQVYCWFM-NSHDSACASA-N 302.765 2.545 0 50 DFAA CC1=NN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@](O)(C(F)(F)F)C1 229935427 VRQAYXGVHSXXGN-OUCADQQQSA-N 312.291 2.649 0 50 DFAA CCc1ncc(NS(=O)(=O)c2ccc(F)cc2Cl)cn1 161932488 VUPVIOABKIXVBS-UHFFFAOYSA-N 315.757 2.632 0 50 DFAA Cn1ccc2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc21 334161977 LEHFGVYQOHNISM-MRXNPFEDSA-N 322.364 2.604 0 50 DFAA Cc1nc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c(C)s1 97295064 IROWYKUESMIBPX-CQSZACIVSA-N 301.415 2.547 0 50 DFAA COC[C@@H]1CCN1C(=O)c1csc(Cc2ccccc2F)n1 294495239 XHCPMAXLXLZGFZ-LBPRGKRZSA-N 320.389 2.734 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)CCCc2cccs2)C[C@H]1C1CC1 91770032 UIDQWNCHZZHQRY-UONOGXRCSA-N 307.415 2.640 0 50 DFAA CCOc1cc(C(=O)N[C@@](C)(CC)c2nc(C)cs2)on1 294965995 MXIUZWOGBLYDHJ-AWEZNQCLSA-N 309.391 2.893 0 50 DFAA C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2ncsc2c1 268171489 DZFAUQXLLXXLKY-IINYFYTJSA-N 301.415 2.509 0 50 DFAA CSCc1noc(CN2CC(Oc3c(C)cccc3C)C2)n1 244893029 YTZMWYDXXBUBGS-UHFFFAOYSA-N 319.430 2.813 0 50 DFAA Cc1nccnc1CN1CCC(C(=O)Nc2ccccc2)CC1 621710424 ANAPXABVHVZOHR-UHFFFAOYSA-N 310.401 2.636 0 50 DFAA C[C@@H](NC(=O)N1CC(=O)N(C)c2ccccc2C1)c1ccccc1 623174838 IDASVSWADVZAMX-CQSZACIVSA-N 323.396 2.936 0 50 DFAA C[C@H](NS(=O)(=O)N1CCCC1)c1ccc2c(c1)CCCC2 242874446 GIDMVBRYJGAWPL-ZDUSSCGKSA-N 308.447 2.557 0 50 DFAA Cc1nonc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1415717536 HZTXZQJHSVXHEE-WDEREUQCSA-N 309.272 2.722 0 50 DFAA CCC[C@@H]1C[C@@H](C(=O)N2CCO[C@H](c3nccs3)C2)CCO1 183751046 JHTDBKZIVGXFTO-MJBXVCDLSA-N 324.446 2.638 0 50 DFAA Cc1ccc(C)n1CCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 253413776 VQHXPYTYBNLTNQ-FUHWJXTLSA-N 304.434 2.649 0 50 DFAA biogenic O=C(O)c1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 263398003 FXLVMCIFEXRNGG-UHFFFAOYSA-N 324.380 2.875 0 50 DFAA CCCn1nc(-c2ccccc2)nc1CCCN1CCCC1=O 823033101 NALHKMCZNMIBPV-UHFFFAOYSA-N 312.417 2.910 0 50 DFAA CCn1cc(C(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)cn1 584899624 LAHDVUZSKHRZMB-UHFFFAOYSA-N 317.780 2.705 0 50 DFAA COc1cccc(N2CCN(Cc3ncc(C)[nH]3)CC2(C)C)c1 670446909 ZCBFWGMHRFNNEM-UHFFFAOYSA-N 314.433 2.828 0 50 DFAA Cc1oc(CN(C)C(=O)CC[C@@H]2CC[C@@H](C)O2)cc1C(=O)O 268936576 OEVIXZZPWMYGLD-PWSUYJOCSA-N 309.362 2.592 0 50 DFAA CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1NCc1nc(-c2ccccc2)no1 685943122 DGUZJZVJDDFYBL-NUEKZKHPSA-N 312.417 2.603 0 50 DFAA CNC[C@@H]1CCCN(C(=O)/C=C(\C)c2cccc(OC)c2)C1 269120253 YSGBKNIYJFFIMM-IPJDOKCGSA-N 302.418 2.557 0 50 DFAA Cc1cc(CN2CCC[C@H]2c2ncc(C(=O)O)cn2)ccc1F 1875282524 IIGVPDARHPNCIW-HNNXBMFYSA-N 315.348 2.959 0 50 DFAA CN1CC[C@@H](NC2CCN(c3nccs3)CC2)C12CCCC2 952882391 QLQDSSKDSKNRBG-OAHLLOKOSA-N 320.506 2.718 0 50 DFAA COc1ccc(CN[C@@H](C)CN2CCc3ccccc3C2)cn1 952980414 QIBUGRKVGAZPPL-HNNXBMFYSA-N 311.429 2.627 0 50 DFAA CN(CCN1C[C@@H]2CC[C@H]1C2)Cc1ccc2nsnc2c1 1076090560 LBWUYISVXZTUIV-OCCSQVGLSA-N 302.447 2.607 0 50 DFAA CN(Cc1ncc(Br)cn1)c1cc(C2CC2)ncn1 895333544 HZSIWNSDWJEJBY-UHFFFAOYSA-N 320.194 2.543 0 50 DFAA C[C@H](NC(=O)N(C)Cc1ccn(C)n1)c1cccc(F)c1F 1775990484 BGLBAXFIWLDACP-JTQLQIEISA-N 308.332 2.601 0 50 DFAA COC(=O)c1cccc(-c2ccc(C(=O)N(C)C)cc2)c1F 85210123 LOVCCNFPNFQVGE-UHFFFAOYSA-N 301.317 2.981 0 50 DFAA in-vitro CC[C@@H](NC(=O)c1csc(C(C)(C)C)n1)[C@H](O)C(F)(F)F 270923371 VEHQXDPSDXXOSD-APPZFPTMSA-N 324.368 2.872 0 50 DFAA Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 278283307 IZDNXIDZGUDKGM-GOEBONIOSA-N 318.417 2.575 0 50 DFAA Cc1ccc2cccc(C(=O)NC[C@@](C)(O)c3ccco3)c2n1 304412849 QJXMKLWRNSQXHX-GOSISDBHSA-N 310.353 2.774 0 50 DFAA O=C(NCc1nc(-c2ccccc2F)cs1)[C@@H]1CCOC1 278939178 LXAZUPXUMLUWRA-SNVBAGLBSA-N 306.362 2.602 0 50 DFAA O=c1[nH]c(NCc2ccccc2-n2ccnc2)nc2ccccc12 170604240 QRHBELJLDPVPIV-UHFFFAOYSA-N 317.352 2.721 0 50 DFAA CC(C)(C)c1ncc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cn1 171315821 HOPGHOXPMMKNDW-LBPRGKRZSA-N 318.421 2.807 0 50 DFAA Cc1csc(CCCNC(=O)N2CCSCC[C@H]2C)n1 188315385 OYOAABYGYQFVSY-GFCCVEGCSA-N 313.492 2.921 0 50 DFAA CCCCCOCC(=O)N[C@@H](Cc1ccccc1)c1ncon1 585127035 ONAPTSPTLCUEBJ-HNNXBMFYSA-N 317.389 2.676 0 50 DFAA O=C(NC1CC1)c1ccc(CN(Cc2cocn2)C2CC2)cc1 191928463 LKUZZPDFKLCPCT-UHFFFAOYSA-N 311.385 2.731 0 50 DFAA C[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)CC(C)(C)O1 192189676 GMYBLGIQZOIAGL-VIFPVBQESA-N 302.296 2.740 0 50 DFAA Cc1cc(F)ccc1C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 1704340816 MWVWTOYIJWPAHB-KRWDZBQOSA-N 321.392 2.670 0 50 DFAA Cc1ccc(Br)c(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c1 128836216 METVAQBGSXRFAG-NWDGAFQWSA-N 312.207 2.647 0 50 DFAA Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1cnccn1 1615615148 PMKZAIRHRHWQHX-UHFFFAOYSA-N 324.306 2.803 0 50 DFAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1ccc2ncsc2c1 1772814601 JIZYFAXUYAQEAN-JSGCOSHPSA-N 301.415 2.653 0 50 DFAA CCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(N)=O 13327248 AGFZFBVBBKZKKS-UHFFFAOYSA-N 321.402 2.829 0 50 DFAA CC(C)OC(=O)N1CCC(n2cc(Br)cn2)CC1 169725152 MEULVZWSDPGZOW-UHFFFAOYSA-N 316.199 2.828 0 50 DFAA CSCC[C@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 154675844 RQKXZAWUZFVUJE-LBPRGKRZSA-N 320.380 2.744 0 50 DFAA COc1ccccc1C1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)O1 4589620 MYAZLVHCXDXUSN-JYRVWZFOSA-N 323.304 2.768 0 50 DFAA Cc1ccc(F)cc1CN1C[C@@H]2[C@H](CN(C)C)[C@H]3CC[C@]2(C1)O3 1857727073 KJRVCNMOVYUFIJ-WJFTUGDTSA-N 318.436 2.675 0 50 DFAA FC(F)(F)Cc1noc(CN2CCC[C@@H]2c2cccnc2)n1 328672962 OSONITREPPSBLI-LLVKDONJSA-N 312.295 2.907 0 50 DFAA CCc1oc(C(=O)N(C)C[C@@H]2CCc3nccn3C2)cc1C 328644368 ZEYDBHIZGKUOHR-ZDUSSCGKSA-N 301.390 2.682 0 50 DFAA COc1ccc(CNC(=O)[C@H]2CCC[C@@H](C)C2)cc1C(=O)O 237303584 AJACRCFPSJLABV-YPMHNXCESA-N 305.374 2.836 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 237941177 CTTNSLCKDHHCSO-NXEZZACHSA-N 314.168 2.830 0 50 DFAA COc1cccc([C@@H]2CN(Cc3ccc(C(=O)O)o3)CCO2)c1 652409604 VEAYYERCCUIBEX-INIZCTEOSA-N 317.341 2.560 0 50 DFAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ncc(Cl)cc1Cl 343273732 DIYUIZPWLORTJD-RAIGVLPGSA-N 317.216 2.755 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)C(C)(C)COCc2ccccc2)C1 252497233 QCBXMQIXPDRJIX-HOTGVXAUSA-N 305.418 2.913 0 50 DFAA Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1 34932 URBKKRMPANXZPR-UHFFFAOYSA-N 307.357 2.596 0 50 DFAA Cc1nn2c(C(=O)NC[C@@H]3CCC[C@H]3C3CC3)c(C)nc2s1 2325791564 QFFOPOXVAOZIOA-STQMWFEESA-N 318.446 2.964 0 50 DFAA O=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1 74660 VRXPIPHFBIPRBF-UHFFFAOYSA-N 302.277 2.901 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 108768 FPGMTESZAYZWNV-ZDUSSCGKSA-N 308.765 2.920 0 50 DFAA COC(=O)c1ccccc1NC(=O)COc1ccc(F)cc1 190656 KEFZAYYCJGUTDW-UHFFFAOYSA-N 303.289 2.630 0 50 DFAA S=C(Cc1ccc(Br)cc1)N1CCOCC1 370810 ATAIOLZLNJVXLP-UHFFFAOYSA-N 300.221 2.651 0 50 DFAA S=C(NC[C@H]1CCCO1)N1CCC(Cc2ccccc2)CC1 609739 GPXJFVFFNRAATD-QGZVFWFLSA-N 318.486 2.995 0 50 DFAA O=C(c1ccccc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 1235575 WPEAPXCOOVMMSS-INIZCTEOSA-N 313.378 2.644 0 50 DFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1ccc2ccccn12 2356150056 JQHXCLCCNNOVCH-GOSISDBHSA-N 324.380 2.841 0 50 DFAA COc1ccc(OC)c(S(=O)(=O)NCC2CCCCC2)c1 6699222 YZWRJXIBTBKXKA-UHFFFAOYSA-N 313.419 2.562 0 50 DFAA Cc1cccc(C(C)C)c1NS(=O)(=O)c1cn(C)nc1C 6706529 NJPIIHKOMAYJQU-UHFFFAOYSA-N 307.419 2.961 0 50 DFAA CC(C)(NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)C(=O)NCC1CCCC1 246335237 UXDDUNAPAZKTFT-FICVDOATSA-N 306.450 2.624 0 50 DFAA CC(C)n1cc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cn1 343364726 KMJJVSASRMOZBA-IRXDYDNUSA-N 303.381 2.911 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccncc1Cl 246587676 OYAYTJMRJGILRA-WQAKAFBOSA-N 308.765 2.593 0 50 DFAA CO[C@@H](C(=O)Nc1ccccc1C(F)(F)F)c1cnn(C)c1 344237948 XAKHPJLEAFDUBW-GFCCVEGCSA-N 313.279 2.765 0 50 DFAA c1ccc(OCCNCc2cccc(Oc3ncccn3)c2)nc1 57354921 JUJGKVROMWUCBV-UHFFFAOYSA-N 322.368 2.833 0 50 DFAA FC(F)Oc1ccc(CN2CCOC3(CCOCC3)C2)cc1 135641630 GPPLSBLISHEAMK-UHFFFAOYSA-N 313.344 2.669 0 50 DFAA CC(C)c1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)no1 121001175 URVMTYCEWDSBTK-SMDDNHRTSA-N 323.343 2.779 0 50 DFAA CCC[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccccn1 252515538 LFRWXKFOCNSXFU-RHMLRGBNSA-N 314.385 2.562 0 50 DFAA Cc1cc(CN2CCC[C@@H](CN3CCC(C)CC3)C2)ncn1 428404647 RDKAWVSSMBDJJC-KRWDZBQOSA-N 302.466 2.729 0 50 DFAA Cn1cnnc1[C@H]1CN(Cc2csc3ccccc23)CCO1 328634613 MUBJVUVXCZDRJQ-CQSZACIVSA-N 314.414 2.603 0 50 DFAA COc1ccc([C@@]2(C)OC(c3ccncc3)=NN2C(C)=O)cc1 4770454 AETJVOJKDPHBPC-QGZVFWFLSA-N 311.341 2.503 0 50 DFAA Cn1ccnc1CN1CCCN(CCCc2ccccc2)CC1 72135195 JWLOWQPCXXWJFT-UHFFFAOYSA-N 312.461 2.561 0 50 DFAA Cc1cc(C(=O)NCC2(O)CCCCCC2)nn1[C@@H](C)C1CC1 329380756 PYUWNBZVEPVMNX-AWEZNQCLSA-N 319.449 2.978 0 50 DFAA O=C(Nc1ccccc1N1CCCC1)[C@H]1CCn2ccnc2C1 155962092 RBWUWHPLNHYDSF-AWEZNQCLSA-N 310.401 2.684 0 50 DFAA Cc1nnc(N2CCC=C(c3cn(C(C)C)nn3)CC2)s1 333711965 QAHVGCBIWMBOQH-UHFFFAOYSA-N 304.423 2.703 0 50 DFAA CON(C(=O)c1ccc(-c2nnc(S)o2)cc1)C1CCCC1 128880618 BVSAOWCBKMBVQT-UHFFFAOYSA-N 319.386 2.972 0 50 DFAA CN1CCCC[C@@H]1CCNC(=O)c1ccc(-c2ccncc2)nc1 71315578 CBWCOXBSEBBQDT-QGZVFWFLSA-N 324.428 2.748 0 50 DFAA O=C(c1cccc(-c2ccoc2)c1)N1CC[C@](F)(C(=O)O)C1 262820651 VZGGDXKOVAOXSJ-MRXNPFEDSA-N 303.289 2.585 0 50 DFAA O=C(Cc1cc(F)c(F)c(F)c1)NCc1cc(C2CC2)on1 219004890 KZKVQCHEKHTIGS-UHFFFAOYSA-N 310.275 2.828 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2noc(-c3ccco3)n2)s1 130997195 VRQYPGOMEPHXIV-UHFFFAOYSA-N 311.344 2.500 0 50 DFAA CCc1nc(NCc2ccc3c(c2)C[C@H](C)O3)c2cnn(C)c2n1 72147076 FKAXESYTPMNXMD-NSHDSACASA-N 323.400 2.861 0 50 DFAA CCc1nsc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 239762126 CKXIROKJRBNBLM-JOYOIKCWSA-N 311.357 2.691 0 50 DFAA O=C(CN1CCCCCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 79796183 MHLZLXWZYODQSB-QGZVFWFLSA-N 320.408 2.602 0 50 DFAA Cc1noc(CCCc2nc(N(C)Cc3ccccc3)no2)n1 240333523 FDYKHIOXDZOYRF-UHFFFAOYSA-N 313.361 2.573 0 50 DFAA COc1coc(CN(C)[C@H](C)c2nc(C)sc2C)cc1=O 77354655 RXVTVFDITWWTAT-SECBINFHSA-N 308.403 2.915 0 50 DFAA Cc1cc(CC(=O)N(C)Cc2cc(-c3ccccc3)on2)on1 216169347 CUMOCWSAPAOZJT-UHFFFAOYSA-N 311.341 2.839 0 50 DFAA c1ccc(-c2noc(CCN3CCC[C@H](n4ccnc4)C3)n2)cc1 607151791 HJTVTRPKLUHHLY-INIZCTEOSA-N 323.400 2.813 0 50 DFAA CCCCn1c(S(=O)(=O)Cc2cncc(C)c2)nc(C)c1C 290433443 BEYNFCVOYILMAG-UHFFFAOYSA-N 321.446 2.977 0 50 DFAA CSc1ncc(CNC(=O)c2cn(C)c3ccccc23)n1C 220443300 DFLRJBFMGXZFLC-UHFFFAOYSA-N 314.414 2.564 0 50 DFAA CSCc1noc(CNC(=O)c2ccc3c(c2)CCCC3)n1 220701828 SDCSMHCHIZMSCG-UHFFFAOYSA-N 317.414 2.741 0 50 DFAA CCCc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)no1 82108508 JIYIAMHUECHOGH-UHFFFAOYSA-N 324.384 2.802 0 50 DFAA CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](CNC)C1 178983757 RJATYYXGALODIX-UETGSQEOSA-N 316.445 2.945 0 50 DFAA COc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)nn1C 426436753 SSKUDBZOESTIBM-UHFFFAOYSA-N 316.405 2.750 0 50 DFAA CCCOc1cccc([C@H](C(=O)O)N(C)Cc2ncc(C)[nH]2)c1 95379532 CAQCBZOSJAWLET-MRXNPFEDSA-N 317.389 2.765 0 50 DFAA O=C(O)[C@H]1CCC[C@H](C(=O)N2CCC(OC3CCCC3)CC2)C1 179992153 QRWCBXLKHXZWLE-KBPBESRZSA-N 323.433 2.828 0 50 DFAA COc1cccc(N2CCN(C[C@H]3CC=CCC3)CC2=O)c1 97743431 QVUKHNGBESNPFY-HNNXBMFYSA-N 300.402 2.700 0 50 DFAA CN(C[C@@H]1COCCO1)C(=O)Nc1ccc(-c2ccco2)cc1 96163934 SJPKALIBCKXIOY-OAHLLOKOSA-N 316.357 2.826 0 50 DFAA C[C@H](Cc1ccsc1)NC(=O)c1cc(=O)[nH]c2ccccc12 91586935 DMGLKZPEGYKVJF-LLVKDONJSA-N 312.394 2.951 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)c2ccc3nccn3c2)C1 91997096 UEKGIWNMRPSWQK-UHFFFAOYSA-N 321.380 2.855 0 50 DFAA COc1cccc2c1CN(C(=O)N[C@H]1C[C@@H](OC(C)C)C1)C2 624188563 WEPBZRMMBUYMDA-OKILXGFUSA-N 304.390 2.676 0 50 DFAA Cn1ncc(C(F)(F)F)c1CNC(=O)N1CCC[C@@H]1C1CC1 624509166 VAFNZWZFPUQSJM-LLVKDONJSA-N 316.327 2.523 0 50 DFAA CCc1cc(CN(C)Cc2cc(C(N)=O)oc2C(C)(C)C)on1 252491968 MAKVSKTYQASCBC-UHFFFAOYSA-N 319.405 2.858 0 50 DFAA Cc1cccnc1C[C@@H](C)NC(=O)C1(N2CCCC2)CCCC1 252501544 UHEHGLXORMBNQT-MRXNPFEDSA-N 315.461 2.846 0 50 DFAA O[C@H](CN1CC[C@@H](n2cnc3c2CCCC3)C1)c1ccccc1 299749904 LZLJUUHLYUCBRS-VQIMIIECSA-N 311.429 2.742 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)CCCc2nc3ccccc3s2)C1 299745268 XIFIPZBPIMAQBM-LLVKDONJSA-N 318.398 2.552 0 50 DFAA O=C(NCc1nc(C2CC2)no1)c1ccc(Cn2cccc2)cc1 534665414 QRUVEGPYNKXLKI-UHFFFAOYSA-N 322.368 2.727 0 50 DFAA Cc1nonc1CC(=O)N[C@@H](CC(C)(C)C)c1cccnc1 534578532 RLYPXONFEWSDDL-AWEZNQCLSA-N 302.378 2.609 0 50 DFAA COc1ccc(NC(C)(C)C(=O)N2CCC3(CCO3)CC2)cc1 584894387 BCJINMJXMXHUAZ-UHFFFAOYSA-N 318.417 2.667 0 50 DFAA C[C@H](c1nc2c(s1)CCCC2)n1cnc2cccnc2c1=O 584897147 ARYKVAOFZKPEMT-SNVBAGLBSA-N 312.398 2.736 0 50 DFAA O=S(=O)(C[C@H]1CCCCO1)Nc1ccccc1-c1ncco1 585136954 ZYVAFDQUVXCYPF-GFCCVEGCSA-N 322.386 2.652 0 50 DFAA CCCc1ccc(NC(=O)N2CC(c3nccc(O)n3)C2)cc1 1875277495 OANPXHUROCQVEF-UHFFFAOYSA-N 312.373 2.766 0 50 DFAA C[C@H]1COC[C@@H](C)N1C(=O)c1csc(-c2ncccc2F)n1 271157645 NMLYOLURYJKZMH-AOOOYVTPSA-N 321.377 2.594 0 50 DFAA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)N=c2cc[nH]cc2)C1 631507690 VKJNKEGUIJNARX-XBVQOTNRSA-N 317.433 2.687 0 50 DFAA c1cn2c(CN3CCC[C@@H]3c3nc4c([nH]3)CCCC4)cnc2cn1 275627681 SBSKPSOKOHYWSH-MRXNPFEDSA-N 322.416 2.668 0 50 DFAA CN(C(=O)NC1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 170091457 HABJCKHDYXXQAU-STQMWFEESA-N 315.200 2.755 0 50 DFAA CO[C@@H](CN)CC(=O)N1CCC[C@H]1c1cccc2ccccc12 278235953 KVXNQSDCMFECPE-QAPCUYQASA-N 312.413 2.867 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)C12CCCCC2 187131989 ANJRVYXPCSZQBW-JKSUJKDBSA-N 319.449 2.813 0 50 DFAA CC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccccc1F 170593041 COZATSBHYUTXSO-SWLSCSKDSA-N 318.396 2.619 0 50 DFAA CCc1cc(C(=O)O[C@@H](C)c2cccc(OC)c2)cc(=O)[nH]1 170593197 OAMWIPMKWRGRQN-NSHDSACASA-N 301.342 2.864 0 50 DFAA CC(C)n1ccc(NC(=O)N[C@H]2CCc3c(O)cccc32)n1 280435463 FMTSPXBMDIVPFV-ZDUSSCGKSA-N 300.362 2.979 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1n[nH]c2c1CCC2 280619795 GOPOJOQQCJHDJS-IINYFYTJSA-N 319.767 2.977 0 50 DFAA COC(=O)[C@H]1CCc2nnc(-c3ccc(C(C)(C)C)cc3)n2C1 601044036 GHNRMFSJOCCXAA-ZDUSSCGKSA-N 313.401 2.978 0 50 DFAA CCOC1CC2(CCN(C(=O)c3n[nH]c4ccc(C)cc34)C2)C1 585082541 GOPUOKBMVNWUNK-UHFFFAOYSA-N 313.401 2.903 0 50 DFAA CC(=O)N[C@H]1CCN(Cc2ccc(CC(F)(F)F)cc2)C1 639272185 GIRMMUFDPUJCRZ-AWEZNQCLSA-N 300.324 2.502 0 50 DFAA CCS[C@H]1CCCC[C@H]1NCCn1c(=O)oc2cccnc21 190048600 CXMLTZQDZBDSCJ-OCCSQVGLSA-N 321.446 2.643 0 50 DFAA CC[C@@]1(CO)CCCN1C(=O)NC1CCC(OC(C)C)CC1 190986271 IPYXNYRXDVIFGA-DQPZFDDXSA-N 312.454 2.669 0 50 DFAA CCOC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192070745 BKLGAIXLWFCSAW-QCZZGDTMSA-N 315.772 2.850 0 50 DFAA O=C(c1cncc(F)c1)N1CCC([C@@H](O)c2cccs2)CC1 1506406135 ZKKQKOPFZHOSPB-OAHLLOKOSA-N 320.389 2.868 0 50 DFAA CSc1cccc(CN(C(=O)NCCC(=O)O)C(C)C)c1 1506395407 HZYNNUUMBUHEAP-UHFFFAOYSA-N 310.419 2.803 0 50 DFAA CCc1cc(NCc2cccs2)nc(N2CCOCC2)n1 1529172963 LFMBXPNYXYWMLW-UHFFFAOYSA-N 304.419 2.549 0 50 DFAA COc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)ncn1 1615037731 ZPLJRMKSCACAEQ-GFCCVEGCSA-N 317.776 2.768 0 50 DFAA COC1(c2noc([C@@H]3CC[C@H](Cn4ccnc4)O3)n2)CCCC1 1615614882 RPPBCIRKAMZTBR-OLZOCXBDSA-N 318.377 2.602 0 50 DFAA COc1cccc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)oc12 12417497 LBQSKMGZOMNPFR-TXEJJXNPSA-N 315.369 2.920 0 50 DFAA biogenic COc1ccccc1NC(=O)CCNC(=O)c1cccs1 12976960 LWJJTZKCKOKIGB-UHFFFAOYSA-N 304.371 2.515 0 50 DFAA O=C(Nc1ccc(Cl)cc1)c1cccnc1N1CCOCC1 14208435 YYJHKBGHLZQIRF-UHFFFAOYSA-N 317.776 2.824 0 50 DFAA O=C1C[C@H](NC2CCC2)CN1Cc1ccccc1C(F)(F)F 14963067 GTLSJPPZLHILOM-ZDUSSCGKSA-N 312.335 2.948 0 50 DFAA O=C(Nc1ccc2c(c1)CN(C1CCC1)CC2)[C@@H]1CCCO1 14976772 WUVSGKYWYFKRAG-KRWDZBQOSA-N 300.402 2.715 0 50 DFAA O=C(CCCN1CCN2CCCC[C@H]2C1)c1ccc(F)cc1 19362229 GXQBFUWUDAEZEL-KRWDZBQOSA-N 304.409 2.959 0 50 DFAA NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 169811123 UWMKWABVZPQPLO-UHFFFAOYSA-N 318.276 2.540 0 50 DFAA Cc1c(CN(C)C(=O)[C@H]2CCc3cc(F)ccc32)cnn1C 614216277 XGXCSPDYSARRFI-INIZCTEOSA-N 301.365 2.556 0 50 DFAA C[C@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)c2ccccc21 328644297 ZCCPAXCFBVTXPN-QWHCGFSZSA-N 311.385 2.688 0 50 DFAA CCOc1c(F)cccc1C(=O)N1CC[C@@H](c2nc(C)no2)C1 332083125 OQLYCLOTBQGPHM-LLVKDONJSA-N 319.336 2.546 0 50 DFAA C[C@@]1(C(=O)N2CCC(C(=O)O)CC2)CCCc2ccccc21 237535148 JHFFAIWCGDIOOX-GOSISDBHSA-N 301.386 2.604 0 50 DFAA Cn1ccc2cc(C(=O)NC3(c4ncon4)CCCC3)ccc21 1875278463 BGHHKWUALMBERU-UHFFFAOYSA-N 310.357 2.761 0 50 DFAA CCNC(=O)C1(NC(=O)C[C@@H](C)c2ccccc2)CCCC1 252499643 SDELEVXXJWUICN-CQSZACIVSA-N 302.418 2.745 0 50 DFAA O[C@H](CN[C@H]1CCCOc2cc(F)ccc21)c1ccc(F)cn1 819211124 STXWJRKTPCGFEP-GOEBONIOSA-N 320.339 2.897 0 50 DFAA COc1cccc(Cn2nnc3c(Cl)ncnc32)c1Cl 1857787365 ZJDHFOXJWTYQEV-UHFFFAOYSA-N 310.144 2.585 0 50 DFAA CC[C@@]1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CO1 8767184 VDDONYFRUUSDOA-HNNXBMFYSA-N 301.371 2.774 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCC[C@H](C(=O)O)C1)C2 2325778146 CYJJZMXBAFSUQZ-WFASDCNBSA-N 302.374 2.664 0 50 DFAA O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccco2)CC1 115705 GDNBVNJVJDHMHU-UHFFFAOYSA-N 318.760 2.531 0 50 DFAA S=C(NCCc1ccccc1)NCc1ccc2c(c1)OCO2 306898 PPNNAHPMUSVTDJ-UHFFFAOYSA-N 314.410 2.622 0 50 DFAA O=S(=O)(NCc1ccccn1)c1c(Cl)cccc1Cl 466647 UPCSMSLLAKBASP-UHFFFAOYSA-N 317.197 2.867 0 50 DFAA Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(C)C3=O 4840409 UTDDLUCKLSUARS-MRXNPFEDSA-N 321.332 2.982 0 50 DFAA CC(=O)Nc1ccc(OC[C@@H](O)CNC2CCCCCC2)cc1 4866251 UPSWMDGAOYHZQS-KRWDZBQOSA-N 320.433 2.697 0 50 DFAA COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccco3)n2)cc1 6678016 YTASPYOLAKXJCT-SNVBAGLBSA-N 313.313 2.829 0 50 DFAA Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1Cl 6866287 WQLFVAOXKQUMKX-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA Cc1noc(C2CC2)c1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 225385520 MQBBBJMIRSHEKH-OUJBWJOFSA-N 319.405 2.740 0 50 DFAA CCc1noc(C)c1-c1noc(Cc2c(C)nn(C)c2C)n1 225556824 NEKYXHAGEZLXPU-UHFFFAOYSA-N 301.350 2.537 0 50 DFAA CCCN(CCC)Cc1ccc(C(=O)NCCCCO)cc1 55225654 HZDPOKHHHZKEIO-UHFFFAOYSA-N 306.450 2.811 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@H]1O 107041794 CXVFHRILQQIYJB-TUKIKUTGSA-N 311.809 2.869 0 50 DFAA Cn1cc([C@H]2CCN(C(=O)c3ccc4ncsc4c3)C2)cn1 172264138 DXVVAUXAFGXLGC-LBPRGKRZSA-N 312.398 2.660 0 50 DFAA Brc1cnc2[nH]c(I)cc2c1 66054291 XLGARLVBAUBSRZ-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA O=C(c1cc2sccc2[nH]1)N1CCC[C@H](Cn2ccnc2)C1 67921880 DLWSQHYWPTVKOH-GFCCVEGCSA-N 314.414 2.978 0 50 DFAA Cc1ncc(CO)c(CN2CCC[C@H]2c2c(C)noc2C)c1O 67817332 YTQVSVVKXFVKJB-HNNXBMFYSA-N 317.389 2.530 0 50 DFAA COc1ccccc1NC(=O)CCNC1Cc2ccccc2C1 65459046 MKHKDCCBQARUSM-UHFFFAOYSA-N 310.397 2.781 0 50 DFAA CCC[C@H]1COCCN1C1CCN(C(=O)c2cccs2)CC1 67965331 NETPYNWXTYTXCZ-HNNXBMFYSA-N 322.474 2.854 0 50 DFAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCNC2)cc1 66152658 BWSVIIZVZSPJAT-ZDUSSCGKSA-N 303.406 2.609 0 50 DFAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C3(N)CC3)C2)cc1 67446968 QRVLQHJMUISVFM-HNNXBMFYSA-N 324.428 2.582 0 50 DFAA CCCc1nc(C)cc(N(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)n1 65407977 TVZVNYIMRPLDFJ-CQSZACIVSA-N 318.465 2.821 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CC(O)=Nc2cnccc21 329306622 BEZCIPWKDAQQQY-UHFFFAOYSA-N 313.361 2.590 0 50 DFAA O=C(c1cc2ccccc2c(=O)o1)N1CCOCc2ccccc21 253395695 PGHUVRCIFBLQOQ-UHFFFAOYSA-N 321.332 2.970 0 50 DFAA CCN(C(=O)Cc1cncnc1)[C@@H](C)Cc1ccc(OC)cc1 253421440 VNRNWXJLBGSOFQ-AWEZNQCLSA-N 313.401 2.507 0 50 DFAA CCCc1n[nH]cc1C(=O)N1CCC([C@@H](O)CC(C)C)CC1 77439977 ISFWHJKVWFRTPC-INIZCTEOSA-N 307.438 2.621 0 50 DFAA O=C(Nc1ccccc1OCC(F)(F)F)NN1CCCC1 253425256 RLQUZDZEUFDLNT-UHFFFAOYSA-N 303.284 2.760 0 50 DFAA CN(c1ncccc1CNCc1nccn1C)C1CCCCC1 12307349 GLINGAKOMQKSJX-UHFFFAOYSA-N 313.449 2.874 0 50 DFAA Cc1cscc1NC(=O)C(=O)N(C)[C@H](C)c1ccccn1 126248734 OGIUFBZMJGTUME-LLVKDONJSA-N 303.387 2.610 0 50 DFAA CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1C 236646074 QHDPJVTYWBAWIC-ZDUSSCGKSA-N 320.389 2.551 0 50 DFAA CN(CCC[C@@H]1CCCO1)Cc1cc(=O)c2ccccc2[nH]1 216364985 NEGKTKULBIAXMX-OAHLLOKOSA-N 300.402 2.919 0 50 DFAA CNc1nc(CN2CCCC[C@H]2CCn2cccn2)cs1 77519207 SEMMZRVNHQVSQY-AWEZNQCLSA-N 305.451 2.826 0 50 DFAA O=C(CCC(F)(F)F)N1CCC(Oc2cccnc2)CC1 219430720 GNKQSXGQEMTKFK-UHFFFAOYSA-N 302.296 2.794 0 50 DFAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@H]1c1ccccn1 77342955 AHFWIEQCIUTZQT-INIZCTEOSA-N 319.368 2.844 0 50 DFAA Cc1ncsc1CCN(C)[C@@H]1CCOC2(CCOCC2)C1 77298458 FYOPGCYQCUWMJK-CQSZACIVSA-N 310.463 2.654 0 50 DFAA Oc1nc(N2CC[C@H](O)c3ccccc3C2)nc2ccccc12 371809363 OCVIMWYOXFLTHB-INIZCTEOSA-N 307.353 2.779 0 50 DFAA Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cnn(CC(F)F)c1)C2 173533592 NXKARJYJUKJTAR-CQSZACIVSA-N 321.327 2.707 0 50 DFAA O=C(O)CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 238163587 DWRQKHPRCHTOGZ-GFCCVEGCSA-N 303.280 2.553 0 50 DFAA Cc1ccc(OC[C@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 77423074 ISGKMJOKCFTWSP-KRWDZBQOSA-N 316.445 2.708 0 50 DFAA CC(C)[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccncc1 241720761 QRZFFBGSBKPXOK-QKPAOTATSA-N 317.433 2.891 0 50 DFAA CCn1cc(CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)cn1 14226898 MEDAVFZSRVMILW-UHFFFAOYSA-N 321.446 2.847 0 50 DFAA C[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(F)cc3)cc2C1 49551608 MRKJLVBLYXOSJT-JTQLQIEISA-N 300.333 2.891 0 50 DFAA Cc1nccn1CCCC(=O)N[C@@H]1CCOC2(CCCCC2)C1 160819615 NXEFCRIBOVGTTL-MRXNPFEDSA-N 319.449 2.970 0 50 DFAA CSc1nc(C(=O)NCCCc2nc(C)cs2)cs1 426394726 QLSKLHLIFPHERW-UHFFFAOYSA-N 313.473 2.993 0 50 DFAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1[nH]nc2ccccc12 229998462 LYKGSQMBFNCIFS-CJNGLKHVSA-N 312.417 2.557 0 50 DFAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 179022017 XJUWTADFBKZLCC-LVDDQXARSA-N 312.335 2.787 0 50 DFAA O=C(NCc1cnc2c(c1)CCC2)[C@H]1Cc2ccccc2S1 426465425 HJXAIJDVTDCUJD-QGZVFWFLSA-N 310.422 2.904 0 50 DFAA CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1ccc(F)c(C)c1)CC2 91893283 RHJBNRWZXKHQLQ-WBVHZDCISA-N 321.392 2.526 0 50 DFAA CN(CCOc1ccccc1)C(=O)Nc1cc(C2CC2)nn1C 96153084 YNCIFXQSVSMXML-UHFFFAOYSA-N 314.389 2.840 0 50 DFAA C[C@@H]1CCCCN1C1CN(c2ncnc3cccc(F)c23)C1 91809069 UVINHYBYMSSZSR-GFCCVEGCSA-N 300.381 2.832 0 50 DFAA CN(C)[C@@H](C(=O)NCCCc1ccccn1)c1ccccc1F 95367148 QYTZIGCNWFNTKU-QGZVFWFLSA-N 315.392 2.572 0 50 DFAA CO[C@@H](C)c1cccc(-c2ccc(N3CCN(C)CC3)nn2)c1 97594979 QACLWYRMMKPCOB-AWEZNQCLSA-N 312.417 2.603 0 50 DFAA Cc1c(Cl)cccc1C(=O)N[C@H]1C[C@@H](c2cc(O)ncn2)C1 253535776 QBFUZDZCMLLKNC-PHIMTYICSA-N 317.776 2.820 0 50 DFAA COc1ccc(CCCCC(=O)N2CC[C@](C)(C(=O)O)C2)cc1 299745702 RXEIIGLZCMYAQD-SFHVURJKSA-N 319.401 2.731 0 50 DFAA C[C@@H](c1ccc(C(=O)NCCc2cc[nH]n2)o1)N1CCCCC1 534676872 VGGOBJMUJJKSDT-ZDUSSCGKSA-N 316.405 2.522 0 50 DFAA Cc1ccsc1-c1cccc(C(=O)N[C@@H]2CCCNC2=O)c1 299759109 OBPLNRYRTGZIGO-CQSZACIVSA-N 314.410 2.732 0 50 DFAA CCCc1cnc(C)nc1NC[C@H]1CC[C@H](C(=O)NC)CC1 823012072 RNXZGJBPSAWJJS-HDJSIYSDSA-N 304.438 2.702 0 50 DFAA Cc1cc(=O)cc(C(=O)NCc2coc(-c3ccccc3)n2)o1 828407723 CEKVIWJZDCFXND-UHFFFAOYSA-N 310.309 2.533 0 50 DFAA O=C(NOCc1cccnc1)[C@@H]1OCCC[C@@H]1c1ccccc1 1875280572 XNGVKECSKRGGPJ-IAGOWNOFSA-N 312.369 2.592 0 50 DFAA Cc1ccc([C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C2)c(C)c1 1875293504 SMBQCABETZYNTJ-OAHLLOKOSA-N 310.397 2.963 0 50 DFAA COc1ccc(NC[C@@]2([C@H]3CCCO3)CCCO2)c(OC)c1 1875275207 AFDUFKJSNCJPOP-IAGOWNOFSA-N 307.390 2.844 0 50 DFAA C[C@@H](Cc1cccs1)C(=O)NC[C@H](CCO)c1ccncc1 1875321060 SLCBHDUGGVQVKQ-ZFWWWQNUSA-N 318.442 2.604 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)NCc2ccc3nc[nH]c3c2)c1C 952971888 LRECNCGTUOUJNH-UHFFFAOYSA-N 310.357 2.640 0 50 DFAA C[C@@H]1CCN(Cc2nc(-c3ccc(CN(C)C)cc3)no2)C1 888098711 TWKMBRUPVRKPJF-CYBMUJFWSA-N 300.406 2.640 0 50 DFAA Cc1ccc([C@@H](C)N(C)S(=O)(=O)Cc2noc(C)n2)c(C)c1 1364781090 BAFCQTJXZGAMON-GFCCVEGCSA-N 323.418 2.518 0 50 DFAA Cc1nnsc1CNc1ccc(Br)cc1CO 897826396 IPIXRSYWWMHUOY-UHFFFAOYSA-N 314.208 2.713 0 50 DFAA Cn1c(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)cc2cccc(Cl)c21 1565526790 XNKZSTWBTBAJBM-VHRBIJSZSA-N 304.777 2.739 0 50 DFAA COCCN1C[C@@H]2CC[C@H]1CN(C/C=C/c1ccccc1)C2 1565516593 SYTDHGNZKULGSW-UZCSHQTLSA-N 300.446 2.742 0 50 DFAA C[C@@H](NC(=O)Cc1ccncc1)[C@H]1CCN(Cc2ccccc2)C1 272341149 ANGYXTDRDRANHR-APWZRJJASA-N 323.440 2.651 0 50 DFAA Cc1cnn(-c2ccc(C(N)=O)cc2N[C@H]2CCCSC2)c1 170078100 FIYSSHRPVIRWIG-ZDUSSCGKSA-N 316.430 2.587 0 50 DFAA Cc1cnccc1OC1CCN(C(=O)c2ccncc2F)CC1 278372779 OYCQTCYRDYLIPV-UHFFFAOYSA-N 315.348 2.608 0 50 DFAA CCCC[C@H](CC)CNC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 170600175 QXEBQLOOKVZQCD-NWDGAFQWSA-N 322.371 2.872 0 50 DFAA CC(=O)N1CC[C@@H](CNC(=O)Nc2cccc3ccccc23)C1 585119176 VHFLCCHIGUVFBF-AWEZNQCLSA-N 311.385 2.830 0 50 DFAA Cc1nnc(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)o1 189504516 ZQALUXBFPRQZRR-IINYFYTJSA-N 307.781 2.993 0 50 DFAA COc1ccc(C[S@](=O)CCCc2cn[nH]c2)cc1Cl 194642091 JOHYWSZNFKFEOY-HXUWFJFHSA-N 312.822 2.953 0 50 DFAA Cc1ccc(N2CCC(N3C[C@H](O)[C@@H](F)C3)CC2)cc1Cl 1615701988 RFVSMLUACBNQHG-HOTGVXAUSA-N 312.816 2.632 0 50 DFAA COc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1OC 13672833 CXRYZWSZBKLYDI-UHFFFAOYSA-N 320.433 2.556 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N[C@H](C)C2CCOCC2)c(C)c1 132890975 KKZSVZAMRWGMGU-CQSZACIVSA-N 311.447 2.705 0 50 DFAA COC(=O)[C@H]1CC12CCN(c1nnc(C(C)(C)C)s1)CC2 408389139 HVRVIJVIDMCDLV-SNVBAGLBSA-N 309.435 2.615 0 50 DFAA NCC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 237811156 CYMCGJGPSDCUMW-UHFFFAOYSA-N 301.365 2.632 0 50 DFAA CN(C)c1ccccc1CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 248533135 IIAHEIPLPSLTMJ-COXVUDFISA-N 302.418 2.970 0 50 DFAA C[C@@]1(C(=O)O)CCCN(C(=O)c2cc(F)cc3cccnc23)C1 262924829 FYLNNGBIQUPHQV-QGZVFWFLSA-N 316.332 2.701 0 50 DFAA CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc2n1CCCC2 162432114 XFRYNKCLFYMQME-GFCCVEGCSA-N 318.352 2.550 0 50 DFAA Cc1ccc(NC(=O)NC[C@@H]2CCCN2CC(F)F)c(C)n1 930337303 FPVGLGZPRGSUOT-LBPRGKRZSA-N 312.364 2.549 0 50 DFAA CN(C(=O)c1cc2c(s1)CCC2)[C@@H](CO)Cc1ccccc1 855137599 SSJYHAHKNLCYTI-OAHLLOKOSA-N 315.438 2.912 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)O 1857779376 KXMCMLWTHNDTSG-GMTAPVOTSA-N 301.383 2.558 0 50 DFAA O=S1(=O)CCC(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 130285829 GFQLKKSOGYZSSS-NWDGAFQWSA-N 313.385 2.522 0 50 DFAA C[C@H]1CCCN(C(=O)c2cc(Br)cs2)[C@H]1CN 156612548 VTXRUDVWUAGMCX-WPRPVWTQSA-N 317.252 2.710 0 50 DFAA CC(C)c1nnc2sc([C@H]3COc4ccccc4O3)nn12 2347143 SOEYTGMXEHWEEF-LLVKDONJSA-N 302.359 2.822 0 50 DFAA COc1cc(N)ccc1OCCCOc1ccc(N)cc1OC 6659408 TYFFWYRBTZUIEU-UHFFFAOYSA-N 318.373 2.716 0 50 DFAA COC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 43939 QTVLICYFGOBNGQ-UHFFFAOYSA-N 315.325 2.743 0 50 DFAA O=C(O)[C@H]1C[C@](O)(C2CCN(C/C=C/c3ccccc3)CC2)C1 2325787333 UCOVSJJSERXSRU-CKUXVUHTSA-N 315.413 2.638 0 50 DFAA O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1 108827 VFOCEOYWSCCVOD-UHFFFAOYSA-N 302.337 2.631 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1 351813 SNRFOGLNNUGYKT-UHFFFAOYSA-N 311.432 2.945 0 50 DFAA CSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 571942 HVRBYDDSDSGHQV-UHFFFAOYSA-N 307.440 2.930 0 50 DFAA CCOC(=O)[C@@H](C)Sc1nnc2c3ccccc3n(C)c2n1 797133 XZHMEBYEKVKPLS-SECBINFHSA-N 316.386 2.560 0 50 DFAA CC(C)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244309 LEEYEPQZFFVRRW-HNNXBMFYSA-N 322.405 2.534 0 50 DFAA Cc1cc(N2CCN(C)CC2)n2nc(C)c(-c3ccccc3)c2n1 2380465 AAHPWRJBOUVAAA-UHFFFAOYSA-N 321.428 2.765 0 50 DFAA C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 4302656 UEPAAKNHRBGROU-IUCAKERBSA-N 324.229 2.791 0 50 DFAA O=S1(=O)N=C(NC23CC4CC(CC(C4)C2)C3)c2ccccc21 4986046 AFAYSLCYISJVIK-UHFFFAOYSA-N 316.426 2.694 0 50 DFAA CCc1ccccc1NC(=O)CNC(=O)c1ccccc1F 7595902 VVONZQUFLUJFNU-UHFFFAOYSA-N 300.333 2.757 0 50 DFAA Cn1nccc1[C@@H]1CCCCN1c1nccc(C(F)(F)F)n1 225578708 AIZJCRRDPIMDQA-NSHDSACASA-N 311.311 2.961 0 50 DFAA O=C(N[C@@H]1CCCOc2ccccc21)[C@H]1CCCc2[nH]ncc21 134217043 PLRPWOKCZNHFQA-SWLSCSKDSA-N 311.385 2.860 0 50 DFAA Cc1c(Cl)cccc1NC(=O)CCC(=O)NCc1ccon1 20210855 KMUOKVNFXKJAMV-UHFFFAOYSA-N 321.764 2.672 0 50 DFAA Cc1cc(N)n(Cc2nc(Cc3ccc(F)cc3Cl)no2)n1 20601216 YIBUGDLEXPVRBX-UHFFFAOYSA-N 321.743 2.588 0 50 DFAA C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2cccnc2)C1 421987196 JIZNEBQAZLDGPQ-OCCSQVGLSA-N 304.390 2.522 0 50 DFAA CC(=O)c1cccc(-c2nc(N)nc(NCc3ccccc3)n2)c1 67786245 IWXYMXJWNRJHAP-UHFFFAOYSA-N 319.368 2.936 0 50 DFAA C/C=C(\C)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 12126887 WFRRWUGUWVQNQZ-NEDLJVEISA-N 309.369 2.530 0 50 DFAA Cc1noc(C2CCN(C(=O)NCCC3CCCC3)CC2)n1 140640887 AUGHUZFWTNLNOB-UHFFFAOYSA-N 306.410 2.847 0 50 DFAA OC[C@@]1(Cc2ccc(F)cc2F)CCCN(c2ncccn2)C1 67726510 CWBFETPTJJRPBN-QGZVFWFLSA-N 319.355 2.576 0 50 DFAA Cc1nc(NCCCc2nnc3ccccn23)cc(C(C)C)n1 65406817 RWHQBQJFDNGKTA-UHFFFAOYSA-N 310.405 2.996 0 50 DFAA CSC(C)(C)C[C@H](C)NCc1ccc2c(c1)n(C)c(=O)n2C 65375873 JBJDBJOSOCFLSB-LBPRGKRZSA-N 321.490 2.887 0 50 DFAA CN(C)C[C@@H](NC(=O)Nc1ccncn1)c1ccc(Cl)cc1 282740295 UDPZXXOBQYSWBH-CYBMUJFWSA-N 319.796 2.554 0 50 DFAA COc1ccc(-c2nc(CN3CCC[C@@H](O)C3)c(C)o2)c(F)c1 71771345 XWEKUWMQHCALKV-GFCCVEGCSA-N 320.364 2.754 0 50 DFAA Cc1ccoc1CNC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 331550808 YZAHFVIGRJTWIP-LSDHHAIUSA-N 306.406 2.671 0 50 DFAA CC(=O)N=c1cc[nH]cc1NC(=O)[C@H](C)c1cccc(Cl)c1 362819409 YRFAWMIACMUIGK-SNVBAGLBSA-N 317.776 2.858 0 50 DFAA O=C(c1ccc(O)nc1)N1CCC(CCCN2CCCC2)CC1 154136444 DRGSRAAPGXRJNO-UHFFFAOYSA-N 317.433 2.515 0 50 DFAA O=C(c1n[nH]c2c1CCC2)N1CCCC[C@H]1c1nccs1 215181097 LZMCNJMMWAPJBT-LBPRGKRZSA-N 302.403 2.722 0 50 DFAA CN(C)c1nc(CNC(=O)CCCc2ccc(F)cc2)cs1 219461700 LOSGTVKUBUSWCX-UHFFFAOYSA-N 321.421 2.987 0 50 DFAA O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2cnccn2)C1 128159225 DBSDIVZNAKKHBZ-OLZOCXBDSA-N 309.291 2.808 0 50 DFAA Cc1cccc(SC2CCN(C(=O)c3cc(O)n[nH]3)CC2)c1 71730540 BYYDKXDMSVLTPL-UHFFFAOYSA-N 317.414 2.821 0 50 DFAA CC(=O)NCc1ccc([C@@H]2CCCN2Cc2nc(C)c(C)o2)o1 368759911 CHVBGAAUHDVKLX-HNNXBMFYSA-N 317.389 2.858 0 50 DFAA C[C@H](CN(C(=O)[C@H]1SCCc2ccccc21)C1CC1)C(=O)O 237616571 QMAPQVHQSYMDNJ-ABAIWWIYSA-N 319.426 2.729 0 50 DFAA Cc1nc([C@H](C)Nc2nccc(CCC(F)(F)F)n2)n[nH]1 71714630 WZUPZNWWLCHHON-ZETCQYMHSA-N 300.288 2.571 0 50 DFAA c1ccc(-n2ncnc2CN2CC[C@@H](Cc3ccncc3)C2)cc1 375614837 WWBAONVHYVCDBS-KRWDZBQOSA-N 319.412 2.727 0 50 DFAA COc1c(C)cc(C)cc1-c1c(C#N)c(N)nc2c1C[C@H](N)CC2 71745627 KQIWFEDRKXQDRE-GFCCVEGCSA-N 322.412 2.644 0 50 DFAA Cc1ccc(CNc2nc(-c3ccco3)nc3c2CCNCC3)o1 72440694 UMKHSULXFXCKQQ-UHFFFAOYSA-N 324.384 2.938 0 50 DFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3ccccc3n2)C1 379278958 PUXLLYBMBVOAIW-BXUZGUMPSA-N 323.318 2.729 0 50 DFAA CC1(C)OC[C@H](COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)O1 177078311 YFCQJKDHIZDUJE-GVXVVHGQSA-N 312.312 2.763 0 50 DFAA Cc1ccc(C)c(CNC(=O)N2CC[C@H](O)CC(C)(C)C2)c1 426739729 KILAKKDJXUTFPJ-INIZCTEOSA-N 304.434 2.996 0 50 DFAA Cc1ccc(Cc2ccccc2C(=O)NC[C@H]2CCC(=O)N2)cc1 223027886 AOYARISJFVYIJD-QGZVFWFLSA-N 322.408 2.594 0 50 DFAA NC1CC(c2cc(N3CC=C(c4ccccc4)CC3)ncn2)C1 223482108 DLOYOZWLUGSNQR-UHFFFAOYSA-N 306.413 2.975 0 50 DFAA Cc1nc(-c2cccnc2)sc1C(=O)N1CCSCC1 20607045 HZEFJKHSSHUZCA-UHFFFAOYSA-N 305.428 2.703 0 50 DFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cn(C)nc1C1CC1 292114771 TXNNYTXXZUXIEI-ZUZCIYMTSA-N 312.373 2.941 0 50 DFAA O=C(c1cnoc1-c1ccccc1)N1CCC[C@@H]1Cn1cccn1 426689147 ICDIEIMCCMMGLI-OAHLLOKOSA-N 322.368 2.843 0 50 DFAA COc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 239174640 QIUBJVNTKYKXKC-TUKIKUTGSA-N 305.374 2.763 0 50 DFAA CCn1nc(CCSC)nc1[C@@H](c1cccc(F)c1)N(C)C 96138842 UQSFAFCPUTUNJS-OAHLLOKOSA-N 322.453 2.994 0 50 DFAA OCC[C@@H]1CN(Cc2nccs2)CCN1CC1CCCCC1 23374638 TUQHFYJFCWYFOF-MRXNPFEDSA-N 323.506 2.592 0 50 DFAA COc1ccc(CN2CCC[C@H](CO)CC2)c(OC(F)F)c1 294157462 VURWIQDRTBCQQY-LBPRGKRZSA-N 315.360 2.891 0 50 DFAA Cc1ncncc1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 97495454 PDUZBLHMRQORED-IAGOWNOFSA-N 311.385 2.653 0 50 DFAA CCOc1ccccc1CCNC(=O)C[C@@H]1CCCCN1C 97499707 DJQSEYHAFJVYBK-INIZCTEOSA-N 304.434 2.618 0 50 DFAA CCN(Cc1noc(C)n1)Cc1cncn1Cc1ccccc1 244564052 CLUYOUDBEFFUHZ-UHFFFAOYSA-N 311.389 2.645 0 50 DFAA Cn1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 624496332 RAOQRFZUZLVFFK-UHFFFAOYSA-N 307.279 2.994 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)O1 299751288 QETJVYWBIPFAFR-KHMAMNHCSA-N 309.406 2.578 0 50 DFAA c1cncc([C@@H]2C[C@H](Sc3nc4cncnc4[nH]3)CCO2)c1 629176893 OGPALZBJRDFPBV-YPMHNXCESA-N 313.386 2.760 0 50 DFAA O=C(C[C@H]1CCCCO1)N1CCNC[C@@H]1c1ccccc1Cl 262058563 VSCQAECLVGESNH-CZUORRHYSA-N 322.836 2.772 0 50 DFAA O=C(c1ncn2c1CO[C@H](c1ccccc1)C2)N1CCCCC1 263619540 ZDQWODMAGVYOEA-INIZCTEOSA-N 311.385 2.781 0 50 DFAA Cc1csc(CNC(=O)c2ccc(CN3CCCC3)o2)n1 584902605 ZCIPTXQXAWPJPX-UHFFFAOYSA-N 305.403 2.570 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 269024323 JJFIYBJFZKATHL-SFHVURJKSA-N 317.385 2.945 0 50 DFAA Fc1cncc(N2CCN(Cc3ccc(F)c(F)c3)CC2)c1 270952739 TUXQDAMTTVVMLF-UHFFFAOYSA-N 307.319 2.821 0 50 DFAA COCC(C)(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3 1875297503 UGQRJFQGKSMSQO-UHFFFAOYSA-N 308.359 2.636 0 50 DFAA COc1cc2nc(N3CC(C)(C)C3(C)C)[nH]c(=N)c2cc1OC 1875264053 KTOSSXOOQQSHPT-UHFFFAOYSA-N 316.405 2.684 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@@H](C)c2ccsc2)nc(O)n1 952971301 NQYNVWCRNTVTHK-JTQLQIEISA-N 305.403 2.933 0 50 DFAA Cn1cc(O[C@@H]2CCC[C@@H]2NC2CCC3(CCCO3)CC2)cn1 888099353 VXMXCEXXIVVUFU-FFDQMNFHSA-N 319.449 2.801 0 50 DFAA COC(=O)c1sc([C@@H](C)CNC(=O)c2ccccc2)nc1C 185588258 SSUFAKNLHJFUJO-JTQLQIEISA-N 318.398 2.772 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1CCOC2(CCCC2)C1 899823004 WAYFKCKTYXTGLO-KGLIPLIRSA-N 311.422 2.731 0 50 DFAA Cc1cc(C)nc(Nc2ccc(O)c(C(=O)NOC(C)C)c2)n1 1468459445 HIYYSNCKFILMSE-UHFFFAOYSA-N 316.361 2.612 0 50 DFAA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)C(C)(C)F)CC1 275545660 DAVAZKZZWDWVIP-HNNXBMFYSA-N 307.413 2.643 0 50 DFAA O=C(Cc1cccc(O)c1F)N1CCO[C@H](c2ccccc2)C1 170082027 SESJNGMBBHDBAA-INIZCTEOSA-N 315.344 2.674 0 50 DFAA O=C(CC1CCCCCC1)NCc1nnc(S)n1C1CC1 170653983 LZYYWAVTWFEVNO-UHFFFAOYSA-N 308.451 2.878 0 50 DFAA Cc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)c(C)s1 170601189 YBGFWMGEYOCSCT-GFCCVEGCSA-N 308.447 2.694 0 50 DFAA C/C(=C\C(=O)Nc1ccccc1-n1ccc(C(=O)O)n1)C1CC1 584908388 IZDNMCOEQRWUIG-ZHACJKMWSA-N 311.341 2.865 0 50 DFAA Cc1ccc2c(c1)SCCCN2C(=O)C[C@H]1COC(=O)C1 187216286 WAPCLSSRJWJKIE-GFCCVEGCSA-N 305.399 2.777 0 50 DFAA Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ncon3)[nH]n2)cc1C 188961783 WXPQOMGUGXCCQZ-LLVKDONJSA-N 311.345 2.568 0 50 DFAA COc1cc(NC(=O)c2nc3cnccc3s2)cc(OC)c1 646583373 HDXXWIMMIYDYQO-UHFFFAOYSA-N 315.354 2.961 0 50 DFAA O=S1(=O)C[C@H](CNC2CCC(F)(F)CC2)c2ccccc21 647213830 AHLFYTDEBXTIRV-NSHDSACASA-N 315.385 2.725 0 50 DFAA C[C@H](C(=O)N1CCC(C)(C)C1)[C@@H](C)C(=O)N1CCC(C)(C)C1 195579811 OWYRJPXIOSLHPY-OKILXGFUSA-N 308.466 2.776 0 50 DFAA O=C(NC1(c2nccs2)CCCC1)c1ccc2cccnn12 777861533 CELZWSFOXVNCCZ-UHFFFAOYSA-N 312.398 2.990 0 50 DFAA CCc1nn(C)c(NC(=O)CCc2c(C)noc2C)c1CC 1506401593 NBBYCPBDFWKBFX-UHFFFAOYSA-N 304.394 2.721 0 50 DFAA Cc1cccc(CN(CCn2cnnc2C)C[C@H]2CCCO2)c1 1529159096 OBYLTIRJVOJTHM-GOSISDBHSA-N 314.433 2.576 0 50 DFAA CCN1CCCC[C@H]1C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 110610396 IXEAFVDBFBDVRH-IRXDYDNUSA-N 318.417 2.667 0 50 DFAA Cc1ccc2[nH]c(CN(CCO)Cc3cnc(C)[nH]3)c(C)c2c1 1704311703 RBYCYDUBOORORT-UHFFFAOYSA-N 312.417 2.811 0 50 DFAA COC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 461767 WLEXEOATRFJKQR-XFXZXTDPSA-N 305.717 2.877 0 50 DFAA Clc1ccccc1Cc1noc(CN2CCSCC2)n1 13594536 HTRJZCGZBHBYOM-UHFFFAOYSA-N 309.822 2.863 0 50 DFAA COc1ccc(OC[C@@H](C)NC(=O)c2cccc(OC)c2)cc1 13675326 CRKWYXHGWAJHPR-CYBMUJFWSA-N 315.369 2.901 0 50 DFAA O=C(Nc1ccccn1)C1CCN(C(=O)c2cccs2)CC1 17070413 JTHLMLRJXGXZPD-UHFFFAOYSA-N 315.398 2.634 0 50 DFAA O=c1[nH]c(O)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12 18066151 GOULKEOXQNZISP-UHFFFAOYSA-N 316.320 2.753 0 50 DFAA O=C(CSc1ccccc1)N1CCN(c2ccccn2)CC1 18221738 ZRBINTUCLIFRCA-UHFFFAOYSA-N 313.426 2.523 0 50 DFAA COc1cccc(CNc2ncc(C(=O)O)c(C(C)C)n2)c1 169751225 OEVWPMMBEFEXRS-UHFFFAOYSA-N 301.346 2.919 0 50 DFAA Cc1nc(C)n(Cc2cn(Cc3ccc(Cl)c(C)c3)nn2)n1 1857530002 DLHPIZMABLSSLX-UHFFFAOYSA-N 316.796 2.545 0 50 DFAA CC[C@H]1C[C@H](n2ccnc2-c2ccccc2OCCO)CCN1 1857713970 ZSKXCXJDEGFQND-LSDHHAIUSA-N 315.417 2.624 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@@H]23)[C@H]1C(=O)Nc1ccc(F)cc1 239046625 FUUAOXCZTSOACV-GXYBRJDSSA-N 301.317 2.533 0 50 DFAA CO[C@@]1(C)C[C@@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C1(C)C 241693967 QJGYFKQKVRISGD-MFNQYGNUSA-N 323.481 2.505 0 50 DFAA CO[C@H](C(=O)Nc1cnn(C)c1)c1ccccc1C(F)(F)F 930121608 QAXKYLCGWBBPQA-LBPRGKRZSA-N 313.279 2.765 0 50 DFAA O=C(Nc1ccnn1C1CCCCC1)N1CC[C@@H](O)C12CCC2 2325789760 LGVIISPPDJDSOX-CQSZACIVSA-N 318.421 2.910 0 50 DFAA CCOc1ccccc1C(=O)N1C[C@H](C(=O)O)C2(CCCC2)C1 2325790141 RDZOCVCIMZKQCG-CQSZACIVSA-N 317.385 2.802 0 50 DFAA COc1cccc([C@@H](CN)NC(=O)c2ccc(Cl)cc2)c1 2325862776 IIBWPOIZAAWVRU-OAHLLOKOSA-N 304.777 2.778 0 50 DFAA O=C(c1cccc2[nH]ncc12)N1C[C@@H]2C[C@H]1CN2c1ccccc1 874959936 VULAPMQOARWPSK-GJZGRUSLSA-N 318.380 2.666 0 50 DFAA COc1cccc2c(C)c(C(=O)N3CCCC[C@H]3C(=O)O)oc12 136492520 YXTPGKHBRPWHIZ-LBPRGKRZSA-N 317.341 2.829 0 50 DFAA COc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2O)c1 359574 JKOPAHYDCMMIKT-UHFFFAOYSA-N 316.382 2.836 0 50 DFAA COc1ccc(Cl)cc1NC(=S)N1CCCC[C@H]1CO 613411 NTRPFVLIZBBXRO-NSHDSACASA-N 314.838 2.892 0 50 DFAA CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 1075995 HHLBIRIZVADESS-UHFFFAOYSA-N 324.789 2.964 0 50 DFAA COc1ccc(NC(=O)COc2ccccc2F)c(OC)c1 3203069 OZEOCCGBAQPRGM-UHFFFAOYSA-N 305.305 2.860 0 50 DFAA O=C(Nc1ccccc1F)[C@H]1CC(=O)N(C2CCCCC2)C1 4814414 RMOZKPBSZYJNLJ-LBPRGKRZSA-N 304.365 2.945 0 50 DFAA CC(C)c1cc(Br)ccc1OCCNC[C@@H](C)O 4832310 NVVMJKRKBQNOPZ-LLVKDONJSA-N 316.239 2.922 0 50 DFAA COc1ccc(CCNC(=O)c2cc(F)cc(F)c2)cc1OC 7304987 MYRIOFZLQFSRDW-UHFFFAOYSA-N 321.323 2.955 0 50 DFAA FC(F)(F)COc1cccc(CN[C@H]2CCCNCC2)c1 414913724 JNPFVEOFSQNTHD-ZDUSSCGKSA-N 302.340 2.859 0 50 DFAA CCN(CC)CCNC(=O)C1CCN(CC2CCCCC2)CC1 22241642 SPUQLSIUACPETB-UHFFFAOYSA-N 323.525 2.737 0 50 DFAA Cc1cc(NCCN2CCOCC2)nc2cc(Cl)ccc12 23634602 IXFRVCNFPUJWKC-UHFFFAOYSA-N 305.809 2.941 0 50 DFAA COCCCC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 118517579 FSJMOKSPAZCRFE-GFCCVEGCSA-N 306.189 2.570 0 50 DFAA CC(=O)c1c(C)nn(CC(=O)N(C)[C@H](C)c2cccs2)c1C 67920568 LNGYBMJGXFRVNV-LLVKDONJSA-N 319.430 2.984 0 50 DFAA COc1ccc(C[C@@H]2CN(Cc3cccc(C)n3)CCO2)cc1 23144707 MYLLFBJYHHAPLH-LJQANCHMSA-N 312.413 2.842 0 50 DFAA COCc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 252508989 YAFVDDAEPFHZTP-CYBMUJFWSA-N 312.369 2.590 0 50 DFAA Cc1ccc(-c2noc(CN(C)[C@@H]3CCN(C)[C@@H](C)C3)n2)cc1 229820768 QUCUDNIHELQPTG-GOEBONIOSA-N 314.433 2.960 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H]1CC=CCC1 328641902 YFXCASITFIPKTI-NJAFHUGGSA-N 313.445 2.889 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)O 2569505 CWPLICWOIFEQMR-JTQLQIEISA-N 319.279 2.624 0 50 DFAA biogenic COc1cccc2c1OCCCN(C(=O)c1c(C)noc1C)C2 215931106 PXESWBKJFDEJOX-UHFFFAOYSA-N 316.357 2.725 0 50 DFAA Cn1cc(CSC[C@@H]2CN(c3ccccc3)CCO2)cn1 603342254 OAQQRFIUMVMORW-INIZCTEOSA-N 303.431 2.559 0 50 DFAA Cc1cc(C)n(-c2ccc(F)cc2-c2nnc3cnccn23)n1 32587103 GYQFMSBMBIEKSC-UHFFFAOYSA-N 308.320 2.733 0 50 DFAA O=C(C[C@H]1COCCN1)Nc1cccc(SC(F)(F)F)c1 72149216 FDUHNFODQQJVGP-JTQLQIEISA-N 320.336 2.616 0 50 DFAA C[C@H]1CCN(C(=O)NCc2ccc(F)cc2)C[C@H]1n1ccnc1 127853219 PDXOZTJVMXTXBV-XJKSGUPXSA-N 316.380 2.815 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@H]([C@@H](C)N)C1 237115000 KKXSZCSXNKXIOF-UVTURKTISA-N 316.445 2.770 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CCCC[C@H]1C(=O)O 237745328 OSZDTECYESXOAW-HNNXBMFYSA-N 316.332 2.762 0 50 DFAA O=C(NC[C@H]1CCCNC1)c1cccc(Oc2ccncc2)c1 262500886 BNQPUJPJKFHECF-AWEZNQCLSA-N 311.385 2.603 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 237952727 KATBXQIDAUVIJS-OWNNVSBGSA-N 305.349 2.942 0 50 DFAA COC(=O)CCNC(=O)Nc1cccc(N2CCC(C)CC2)c1 173479340 NAIPEESPAAOFBT-UHFFFAOYSA-N 319.405 2.608 0 50 DFAA CCCC(=O)N1CCC(N2CCC3(CCOCC3)CC2)CC1 72147971 FSAWREGIMDMHLM-UHFFFAOYSA-N 308.466 2.670 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)c3ccc4c(c3)C[C@H](C)O4)C2)n1 426496867 JGJKJCVFPIXQHL-ZDUSSCGKSA-N 311.385 2.520 0 50 DFAA NCCCOC1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 162153188 QRNWHXWDZLJOKA-DLBZAZTESA-N 308.466 2.559 0 50 DFAA C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)[C@H]1C[C@H]2CC[C@H]1C2 238997453 AHBGVVDLUMLZGI-UDRKCNRUSA-N 305.418 2.674 0 50 DFAA Cc1nn(C)c2nc(NCCCNc3cccnc3)sc12 95526340 FXJMEGXTZJARFW-UHFFFAOYSA-N 302.407 2.647 0 50 DFAA Cc1nc2c(c(N(C)Cc3ccon3)n1)Cc1ccccc1OC2 95496485 TWPSMFILODDZLU-UHFFFAOYSA-N 322.368 2.893 0 50 DFAA CC(C)n1cnnc1[C@H](C)NC(=O)Cn1ccc2ccccc21 244742157 OCUZNPMMABQPDF-ZDUSSCGKSA-N 311.389 2.691 0 50 DFAA COCc1nc(N[C@@H]2CCc3ccccc32)cc([C@H]2C[C@H](N)C2)n1 253378396 CMTPHCOJYAVOEB-IIAWOOMASA-N 324.428 2.927 0 50 DFAA O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1CCc2c[nH]nc2C1 366114595 KZLPOGACHFLOOW-GFCCVEGCSA-N 323.318 2.645 0 50 DFAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc2ncsc2c1 1363739625 VNCPYLDGTNFPHB-NSHDSACASA-N 301.415 2.605 0 50 DFAA N[C@H]1CCN(c2nc(-c3ccccc3)cc(-c3ccco3)n2)C1 826956413 JMPVDWGMZKGXJM-AWEZNQCLSA-N 306.369 2.941 0 50 DFAA Brc1cccc2c1OCC[C@H]2NCc1cc[nH]n1 268872352 KSTMKQMWGCHBPH-GFCCVEGCSA-N 308.179 2.786 0 50 DFAA Cc1nn(C)c(C)c1CCc1nc(Cc2cccs2)n[nH]1 670447609 POARCDRMLQAMAI-UHFFFAOYSA-N 301.419 2.593 0 50 DFAA CC[C@@H]1CN(Cc2cc(=O)n3c4c(cccc24)CCC3)CCO1 670469539 QTOPIQLXTRGHLD-MRXNPFEDSA-N 312.413 2.559 0 50 DFAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)NCC1CC1)CC2 871629964 QHFTTYOLMHEIFF-NSHDSACASA-N 304.390 2.743 0 50 DFAA COC(=O)CC[C@@H]1CCN(c2ccnc(-c3ccccc3)n2)C1 1875299907 ZVKXHFGKBWRXEM-CQSZACIVSA-N 311.385 2.923 0 50 DFAA C[C@H]1C[C@H]1c1nc(C2(NC(=O)OC(C)(C)C)CCOCC2)no1 1875273048 ZISFLDGJTHLLNH-WDEREUQCSA-N 323.393 2.723 0 50 DFAA Cc1noc([C@]2(O)CCN(Cc3ccccc3CC(C)C)C2)n1 1875271388 ALYVMJBAMACFLG-SFHVURJKSA-N 315.417 2.670 0 50 DFAA C[C@@H](NC1CCN(c2cccnn2)CC1)c1ccc(F)c(O)c1 1875285205 GRFCEWMLQYNDBE-GFCCVEGCSA-N 316.380 2.641 0 50 DFAA COc1c(CN2CC3(CC(C4CC4)=NO3)C2)ccc2[nH]ccc12 1875299870 YQOWPKIGNRXXHB-UHFFFAOYSA-N 311.385 2.917 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1CN(C(=O)c1coc(C3CCC3)n1)C2 1875306054 RDDLHEMQKOALIN-KGYLQXTDSA-N 318.373 2.515 0 50 DFAA O=C(O)[C@@H](c1cccc2ccccc12)N1C[C@@H](O)C2(CCC2)C1 1875303994 WAMBBQWMERSAMB-IAGOWNOFSA-N 311.381 2.812 0 50 DFAA C=CC(=O)N(Cc1cnn2c1CCC2)c1ccc(F)cc1F 1875376141 NGVMFQSXADWKES-UHFFFAOYSA-N 303.312 2.827 0 50 DFAA C=CC(=O)N(Cc1c(F)cccc1F)CC1(F)CCOCC1 1875388456 BUKZULWNHLDXBA-UHFFFAOYSA-N 313.319 2.998 0 50 DFAA Cn1ccc2c(-c3csc(CN4CCNCC4)c3)ccnc21 72172886 GOSHZQVYBRBCPG-UHFFFAOYSA-N 312.442 2.707 0 50 DFAA COC(=O)[C@H]1C[C@@H](Nc2cccc3c2CCN3C(C)=O)C1(C)C 1775991554 GUTFLMZVCGLVMI-CZUORRHYSA-N 316.401 2.595 0 50 DFAA CC1(C)C(COC(=O)c2cc3c([nH]c2=O)CCCC3=O)C1(C)C 170652356 KTINHKQBWFGHOB-UHFFFAOYSA-N 317.385 2.733 0 50 DFAA CON1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 585131394 UOKITOAGJORRAQ-GUYCJALGSA-N 302.418 2.700 0 50 DFAA Cc1n[nH]c(C)c1CN1[C@H]2CC[C@H]1[C@H](C(=O)OC(C)(C)C)C2 585116654 DLPAOUNCLQDNGH-GUTXKFCHSA-N 305.422 2.721 0 50 DFAA CN(C[C@H]1CCOC1)c1nc(-c2cc(F)cc(F)c2)ns1 645184509 VBVNEQSAISZWKL-SECBINFHSA-N 311.357 2.956 0 50 DFAA Cc1nc(C(C)C)oc1CNC(=O)[C@H]1COc2ccccc2O1 646362297 AQGWFIZMDVUSFL-OAHLLOKOSA-N 316.357 2.563 0 50 DFAA Cc1nnc(CN2C[C@@H](C)Oc3ccc(Br)cc32)o1 193224471 WYOKANYBXPRVMP-MRVPVSSYSA-N 324.178 2.928 0 50 DFAA Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N=c1ccn(CC(F)F)[nH]1 650067578 SUDUAFBQIYBVSH-QWHCGFSZSA-N 320.343 2.556 0 50 DFAA C/C(=C\c1ccccc1)CN1CCC(C)(C)S(=O)(=O)CC1 195204450 ZPOMYSFIASRTOC-FYWRMAATSA-N 307.459 2.989 0 50 DFAA Cc1ccc(OCC(=O)Nc2c3c(nn2C)CSC3)cc1C 1506403562 QDBCRKPURYZDCJ-UHFFFAOYSA-N 317.414 2.801 0 50 DFAA CCC(CC)(CO)CN(C)C(=O)c1cccc2c1CCC2=O 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COc1ccc2sc(C(=O)N3CCC[C@@H]3C(=O)O)c(C)c2c1 237325248 JSJHCRDABLLTRW-GFCCVEGCSA-N 319.382 2.908 0 50 DFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC(Cc2ccccc2)CC1 246990490 CUBTVLLODQEQHX-KZNAEPCWSA-N 314.429 2.971 0 50 DFAA Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1cscn1 252492213 MFOKRNWPSWSLTK-ZDUSSCGKSA-N 303.387 2.775 0 50 DFAA O=C(NCc1ccccc1F)N[C@@H]1CCCC12CCOCC2 253395978 WJLXJTCCWFWWRV-OAHLLOKOSA-N 306.381 2.974 0 50 DFAA O=C(N[C@@H]1CCCSC1)c1nc(-c2ccccc2)ns1 902890151 FGRAKTUGGYBKFC-LLVKDONJSA-N 305.428 2.831 0 50 DFAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cc(Br)cs1 121781617 IHWATFLCQCQMEA-SCZZXKLOSA-N 317.252 2.853 0 50 DFAA Cc1ccc(C(=O)N2CCCc3ccccc3C2)cc1OCCN 2100548288 XMHKDWJUULOTGV-UHFFFAOYSA-N 324.424 2.921 0 50 DFAA Clc1ccc2c(c1)CO[C@H]2Cc1nc(Cn2ccnc2)no1 2325791784 YCTGHJPWBXZHRX-ZDUSSCGKSA-N 316.748 2.782 0 50 DFAA Cc1ccc(-c2ccc(Cn3cc(CO)cn3)cc2)c(CO)c1 2325843871 SEKRUYFUBLNWES-UHFFFAOYSA-N 308.381 2.891 0 50 DFAA Fc1ccc(/C=C/CN2CCc3cncnc3CC2)cc1F 2325870228 NTMDISYBQZFXQJ-OWOJBTEDSA-N 301.340 2.869 0 50 DFAA Cc1cc2c(cc1C)N[C@H](CC(=O)NCc1ccccc1)C(=O)N2 46724 HMIIOMCTLWHCIA-QGZVFWFLSA-N 323.396 2.743 0 50 DFAA C[C@H](CCc1ccccc1)NC(=O)[C@H]1COc2ccccc2O1 295045 WXPRLJXHPFPOGM-RDTXWAMCSA-N 311.381 2.964 0 50 DFAA CCC(=O)N1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1 618478 VBJJSRSBVONCCH-UHFFFAOYSA-N 317.433 2.730 0 50 DFAA COC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 2872502 QAWWXEBFFLOQGV-UHFFFAOYSA-N 320.370 2.938 0 50 DFAA COc1ccc(C(=O)COc2ccccc2)c(OC)c1OC 2891796 KKBQDNVKQMLDSW-UHFFFAOYSA-N 302.326 2.974 0 50 DFAA Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(O)cc1)N(C)C 4012618 ZUOVSSVFTMRBBJ-KRWDZBQOSA-N 323.400 2.636 0 50 DFAA CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccccn1 7381608 ZXBRENQTBFPENX-AWEZNQCLSA-N 300.358 2.564 0 50 DFAA Cc1c(O)cccc1C(=O)N1CCC(CN2CCCC2)CC1 179212652 XNAZJGPLKUTCOV-UHFFFAOYSA-N 302.418 2.649 0 50 DFAA CC(C)c1ccc2c(c1)c1c3n2CCN(CC(N)=O)[C@@H]3CCC1 55562712 JXOSDCFONVKSFW-QGZVFWFLSA-N 311.429 2.943 0 50 DFAA biogenic CS[C@@H](C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 601690088 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COc1ccc(C2=NO[C@@H](C(=O)N3CCCC[C@@H]3C)C2)cc1 5029116 DLXDGXBQNRIGHE-BLLLJJGKSA-N 302.374 2.589 0 50 DFAA O=S(=O)(C1CC1)N1CCCC[C@@H]1CCc1ccc(O)cc1 72141976 RXCKRVCNPCQSGT-CQSZACIVSA-N 309.431 2.672 0 50 DFAA CC1CCN(CCCNC(=O)CCc2ccc(F)cc2)CC1 72437125 KJRJHPZPDZLSIC-UHFFFAOYSA-N 306.425 2.997 0 50 DFAA C[C@H](COc1ccccc1)C(=O)Nc1n[nH]c2cc(F)ccc12 356842306 RIPUTHKBYRIBEB-LLVKDONJSA-N 313.332 3.356 0 50 DFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(N)=O)C(F)(F)F 155210393 ALFZJDOWWSAOMG-GFCCVEGCSA-N 312.295 2.761 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H]1C(=O)O 237253921 NNDDYOYJSURCQJ-CJNGLKHVSA-N 317.385 2.581 0 50 DFAA Cc1nc(C)c(F)c(Nc2cnn(C3CCOCC3)c2C)n1 333739856 VOZABFIFDNSOIA-UHFFFAOYSA-N 305.357 2.833 0 50 DFAA C[C@@H](NC(=O)C(C)(C)N)c1cccc(OCc2ccccn2)c1 237482531 FVTRZKWINDHCBP-CYBMUJFWSA-N 313.401 2.575 0 50 DFAA CN(CCC(=O)Nc1cccc(F)c1)C[C@H]1CCCC[C@H]1O 245535097 FFQDEESKYHNDOK-CZUORRHYSA-N 308.397 2.637 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 238099595 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CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(F)ccc1C)CC2 180193765 FGAXHXUIWLSKIJ-IRXDYDNUSA-N 307.409 2.886 0 50 DFAA Cc1ccc([C@]2(C(=O)N(C)CCc3ncon3)CC2(C)C)cc1 426712026 KKIYKXKBNKPAJO-SFHVURJKSA-N 313.401 2.747 0 50 DFAA CC1(C)CN(C(=O)CCSCc2ccccc2)C[C@]1(C)O 91906959 KZYQBHKTZNZWST-KRWDZBQOSA-N 307.459 2.929 0 50 DFAA NC(=O)CCC1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95530057 HNLUARSWDFDTTM-MRXNPFEDSA-N 316.445 2.605 0 50 DFAA c1ccc(-c2ccnc(NCc3ccc4c(c3)OCO4)n2)nc1 96140267 ZKQUZQPUJNBFTP-UHFFFAOYSA-N 306.325 2.879 0 50 DFAA COCc1noc(CN(CCc2cccc(F)c2)C2CC2)n1 182302492 RDDCSCIUJSPXDL-UHFFFAOYSA-N 305.353 2.562 0 50 DFAA CCc1ccccc1O[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1O 244708148 KOPIKYRAMITANH-VNQPRFMTSA-N 305.418 2.778 0 50 DFAA O=C(CCN1CCO[C@@H](c2ccccc2)C1)Nc1nccs1 252486448 HLIMYGYFYPXORL-CQSZACIVSA-N 317.414 2.545 0 50 DFAA Cn1cncc1C(=O)NCC1(c2ccccc2F)CCCC1 534591465 QWZCMDXDVCKBBC-UHFFFAOYSA-N 301.365 2.801 0 50 DFAA CCc1csc(CNC(=O)c2ccc(O)nc2C(C)C)n1 1940195641 UJNJDCBXFVTIML-UHFFFAOYSA-N 305.403 2.860 0 50 DFAA O=C1CCc2c1cccc2C(=O)N1CCC(c2cc[nH]n2)CC1 670456271 PTLLCHSEZWKUIV-UHFFFAOYSA-N 309.369 2.558 0 50 DFAA C[C@@H]1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 271096684 ZIBYXPMTAUKPFU-CYBMUJFWSA-N 306.369 2.903 0 50 DFAA CC(C)c1ccc(-c2cnc(C(=O)N3CCC[C@@H](N)C3)cn2)cc1 1875313738 SIGYHPUCIGXFOW-MRXNPFEDSA-N 324.428 2.830 0 50 DFAA Cc1ccc(O)cc1C(=O)N[C@H](CO)c1ccc(Cl)cc1 1875362112 ROOSVFOGCCBJMZ-OAHLLOKOSA-N 305.761 2.817 0 50 DFAA O=C1CC[C@@H](NC(=O)c2cccc(F)c2)[C@H](c2ccccc2)N1 1873772525 HMGFWDZBYTVCRV-WBVHZDCISA-N 312.344 2.575 0 50 DFAA Cn1nccc1NC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 1875289444 SJTDKCDVXJGKBU-CQSZACIVSA-N 324.306 2.946 0 50 DFAA O=C(NCC1(Cc2ccccc2)CCC1)Nc1ccc[n+]([O-])c1 952877022 KXIKESKJKQKVHL-UHFFFAOYSA-N 311.385 2.855 0 50 DFAA COc1cncc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)c1 886077923 JZAHGLGCRVTWHT-NHYWBVRUSA-N 302.378 2.550 0 50 DFAA C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cc1ncc[nH]1 1412536253 XMVDQBNBSAQYKN-JTQLQIEISA-N 311.307 2.718 0 50 DFAA 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COc1cccc(C)c1C(=O)N[C@H](CC(=O)O)c1ccccc1 952967336 HLUIWSIYSGUDEH-CQSZACIVSA-N 313.353 2.949 0 50 DFAA COCc1cc(C2CN(C(=O)[C@H]3CCCC(C)(C)C3)C2)no1 886086047 PQOYFAYEFXMTTQ-LBPRGKRZSA-N 306.406 2.963 0 50 DFAA O=S(=O)(Cc1cnn(CCF)c1)[C@@H]1CCCc2ccccc21 899474160 PWFINJKNNLHMCV-MRXNPFEDSA-N 322.405 2.845 0 50 DFAA O=C(NCCc1nc2cc(Cl)ccc2s1)C1(O)CCC1 274586775 IIGFPZQPETUDRM-UHFFFAOYSA-N 310.806 2.523 0 50 DFAA Fc1ccc2c(c1)CCC[C@H]2NCCn1cnnc1C1CC1 170064085 LYTGDVJNCNDFEG-MRXNPFEDSA-N 300.381 2.962 0 50 DFAA O=C(N[C@H]1CCc2ccccc2C1)c1cn[nH]c1C(F)(F)F 170599075 KQGREPMWIGIQHJ-NSHDSACASA-N 309.291 2.716 0 50 DFAA COc1cccc(N2C(=O)N[C@](C)(Cc3ccccc3)C2=O)c1 170613755 ZJAUNACUHBZSEH-GOSISDBHSA-N 310.353 2.753 0 50 DFAA NC(=O)c1cccc(CCNC(=O)c2csc3ccccc23)c1 171020715 XVENOQBIOBISIE-UHFFFAOYSA-N 324.405 2.973 0 50 DFAA COc1ccc(-c2noc([C@H]3CCc4cnc(C)n4C3)n2)cc1 585133924 ZYDWESIZICJIDB-ZDUSSCGKSA-N 310.357 2.980 0 50 DFAA COC[C@H](OC)c1noc(Cc2coc(-c3cccs3)n2)n1 585120219 AHRMMKUTHRWJQM-JTQLQIEISA-N 321.358 2.711 0 50 DFAA C[C@@]1(C(=O)NCc2nc3cccnc3[nH]2)CCCc2ccccc21 190229514 UDPLOPOSQMLRDA-LJQANCHMSA-N 320.396 2.868 0 50 DFAA O=C(O)c1ccccc1CCN1CCO[C@H](c2ccco2)C1 652436638 SCIAUPPJAZKQRA-INIZCTEOSA-N 301.342 2.594 0 50 DFAA CO[C@H](C)CS(=O)(=O)N1CCc2c(cccc2C(C)C)C1 195469517 ZUGGGHFOQCMGIE-CYBMUJFWSA-N 311.447 2.533 0 50 DFAA CCCc1nc(C)c(COc2ccc3c(c2)n(C)c(=O)n3C)o1 664042220 YEHACGXHYASUDS-UHFFFAOYSA-N 315.373 2.705 0 50 DFAA Cc1cc(N(C)CCN(C)C2CCCC2)nc(N2CCCC2)n1 1529106882 SVWJGBXCQVUTLZ-UHFFFAOYSA-N 317.481 2.696 0 50 DFAA Cc1nc[nH]c1CN(CCO)Cc1cccc(C(F)(F)F)c1 1704306901 ZDSXRYUSGHVSKS-UHFFFAOYSA-N 313.323 2.731 0 50 DFAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccsc3)C1)CC2 1704337940 HQLGZFOMSFVXSA-KRWDZBQOSA-N 313.426 2.967 0 50 DFAA CN(CCC[C@@H]1CCOC1)CCN(C)C(=O)/C=C/C(C)(C)C 1615612000 TVHBZBNORDAOSK-XAVKZTDYSA-N 310.482 2.796 0 50 DFAA CCCN1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccncc1 12218971 JMPJHGAEUVTUFW-KRWDZBQOSA-N 315.461 2.643 0 50 DFAA O=C(Nc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 14401234 OCHIIPTTWLTVSU-UHFFFAOYSA-N 300.333 2.915 0 50 DFAA Brc1cc(I)c2cn[nH]c2c1 14983177 VOEAVIHSGOANQS-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA COC(=O)c1ccc(CN2CCC(N3CCCCC3)CC2)cc1 16662653 MJSVUMFEEYMVNG-UHFFFAOYSA-N 316.445 2.924 0 50 DFAA Cc1cc(C)c(NC(=O)CCCN2CCN(C)CC2)c(C)c1 19202439 HJCHWUNTOVHOFC-UHFFFAOYSA-N 303.450 2.578 0 50 DFAA CN(C)CCOc1ccc(-c2nccn2CCC(C)(C)O)cc1 1857675814 JSVFKZLMBWBMAL-UHFFFAOYSA-N 317.433 2.652 0 50 DFAA CC(C)=CCC/C(C)=C/CN1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857694901 ZGPPCPOBUKSRTN-ZWAJWSPZSA-N 320.477 2.642 0 50 DFAA CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 5030793 VLWCTEHZKXFOHR-ZDUSSCGKSA-N 319.357 2.656 0 50 DFAA in-vitro CC(C)[C@H](O)CN1CCC(Cc2nc3ccccc3[nH]2)CC1 660857353 MBUUDUXLYDUQQD-QGZVFWFLSA-N 301.434 2.834 0 50 DFAA CNC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 140785699 OHSNAIFBPYNFLL-HNNXBMFYSA-N 312.394 2.702 0 50 DFAA CCc1nc(O)c(C(=O)N2CCC[C@H]2c2cccn2C)cc1C 929554099 ZSKLRKMPAGLJCP-INIZCTEOSA-N 313.401 2.974 0 50 DFAA CC(C)Cc1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)s1 934990609 MHIPAFOVYDFFBJ-NSHDSACASA-N 303.431 2.957 0 50 DFAA COCCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2049698 ZSSCGVORPAFSMW-VIFPVBQESA-N 306.189 2.913 0 50 DFAA Cc1c(C2CCOCC2)noc1NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 2325793927 LUCGLRNNMNYFNF-TWJQMWNJSA-N 322.405 2.875 0 50 DFAA Cn1nc2c(c1/C=C/c1nc(O)cc(C(F)(F)F)n1)CCC2 899383723 AADSDISRUAOUKY-AATRIKPKSA-N 310.279 2.594 0 50 DFAA COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1OC 180200 RENSTQCLKNDAJN-UHFFFAOYSA-N 311.334 2.644 0 50 DFAA O=C(NCCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 476388 LYYAGVSPDZKKHJ-UONOGXRCSA-N 309.793 2.890 0 50 DFAA COc1ccc(OCCOCCOc2ccccc2C=O)cc1 2985616 VBHKLAMBYOBEBU-UHFFFAOYSA-N 316.353 2.982 0 50 DFAA Cc1ccc(C)c(NC(=O)C(=O)NCCc2ccc(F)cc2)c1 2995427 ICAUAZDGVVYTIR-UHFFFAOYSA-N 314.360 2.740 0 50 DFAA Cn1cnc2nc(-c3ccc(OC[C@H]4CCCCN4)cc3)ncc21 2356163634 LNRWTNQKCVBPIB-CQSZACIVSA-N 323.400 2.551 0 50 DFAA O=C(Nc1ccccc1F)N1CCN(c2ccccn2)CC1 6698442 VFGDNGDEELDUNT-UHFFFAOYSA-N 300.337 2.575 0 50 DFAA Cn1ccc(-c2nc([C@@H](c3ccccc3)C3CC3)no2)cc1=O 225554302 LFTINRRXFZLXRE-INIZCTEOSA-N 307.353 2.977 0 50 DFAA CCOc1ccc(S(=O)(=O)n2cccn2)c2ccccc12 8714883 FBGHUILZWNMJSP-UHFFFAOYSA-N 302.355 2.672 0 50 DFAA CSCC[C@@H](CO)NC(=O)c1cc2cc(C)ccc2nc1C 55132969 BVYXNHMTMFPYOT-AWEZNQCLSA-N 318.442 2.695 0 50 DFAA COc1ccc(O)c(C(=O)N(C)[C@H](C)Cc2cc(C)ccn2)c1 63832633 PPBYEPWQIPUFEJ-CYBMUJFWSA-N 314.385 2.807 0 50 DFAA C[C@H](c1nnnn1C1CCCCC1)N1CC[C@H]2OCCC[C@H]2C1 249492483 VOZYKYXHUMWFQR-IJEWVQPXSA-N 319.453 2.740 0 50 DFAA CCn1nc(C(=O)O)c2c1CC[C@H](NCC1(CC)CCC1)C2 67432205 IOVCMMSSEDCQGH-LBPRGKRZSA-N 305.422 2.628 0 50 DFAA CCc1ccc(CN2CCC[C@H](CNC(=O)C=C(C)C)C2)nc1 67673380 HHMIHJQECXWTFG-QGZVFWFLSA-N 315.461 2.938 0 50 DFAA O=C(NC[C@H]1CCCO1)c1cc(C(=O)C2CCCCC2)c[nH]1 1396139 LCQLSOVTUXBNCZ-CQSZACIVSA-N 304.390 2.687 0 50 DFAA COc1cc(OC)cc(C(=O)NCc2nc3ccccc3[nH]2)c1 4625925 WCOYBZXWPMDLLI-UHFFFAOYSA-N 311.341 2.510 0 50 DFAA CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1F 4916685 GJDAYHSLBGAMHV-LBPRGKRZSA-N 323.389 2.609 0 50 DFAA COc1ccnc(O)c1C(=O)N(C)c1ccc(SC)cc1 253630211 VAKVEQFIUKEKRR-UHFFFAOYSA-N 304.371 2.794 0 50 DFAA CN(C)Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 253629951 FZEAMWRSKSGLEX-RCCFBDPRSA-N 300.446 2.795 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(F)c(COCC3CC3)c2)C[C@@H](C)N1 153713945 NHKJNFUAOVCCOS-CHWSQXEVSA-N 320.408 2.575 0 50 DFAA O=C(NCCN1CCc2ccccc21)c1ccc(Cl)cn1 71759496 GVGRYTXMGHHHNR-UHFFFAOYSA-N 301.777 2.528 0 50 DFAA CCc1nn(C)c(CC)c1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 367965655 MUCFQJHRCBREQA-IAGOWNOFSA-N 305.466 2.934 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@@H](N)C[C@@H]3C)co2)cs1 237628553 IFAQJPQCDIEMPX-JOYOIKCWSA-N 305.403 2.663 0 50 DFAA CCCn1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c(C)n1 215875775 WXDKHMWFTWCAAH-HNNXBMFYSA-N 317.437 2.643 0 50 DFAA O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccncc1)C1CC(O)C1 218801906 FDBKTZUPTMCGIM-XIMCWOHTSA-N 322.408 2.593 0 50 DFAA O=C(c1cnc(CN2CCCC2)s1)N1C[C@H]2CC=CC[C@H]2C1 71749786 GKZAQFPVYMPAFP-OKILXGFUSA-N 317.458 2.777 0 50 DFAA CC[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C(=O)NC)CC1 454404496 KAMRIVMKGDMTGF-YHNBSYBMSA-N 323.481 2.807 0 50 DFAA C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 241897403 TYLTUEZLBWWTNC-NQNKBUKLSA-N 309.450 2.903 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1C[C@@]12CCc1ccccc12 175299578 HQGAXRZISYAALW-RCLSDMTESA-N 319.404 2.665 0 50 DFAA CCn1cnnc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1 132015340 UFMGWKUOJBPSLT-UHFFFAOYSA-N 317.368 2.849 0 50 DFAA C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)[C@@H]1CC1(F)F 606445176 WFYMKUCXTDRSIL-TUKIKUTGSA-N 323.387 2.592 0 50 DFAA C[C@H](N[C@H](c1nccn1C)C1CCOCC1)c1cncc(F)c1 284711470 KSCXGZRQDZQVCZ-LRDDRELGSA-N 318.396 2.773 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1CC(c2ccccn2)C1 72148212 OLBBQKBJPWDHFM-UHFFFAOYSA-N 305.337 2.976 0 50 DFAA COc1cc([C@H](C)NC2(C(C)C)CC2)ccc1S(C)(=O)=O 340479041 OWZYEUYCECSSNH-LBPRGKRZSA-N 311.447 2.938 0 50 DFAA O=C(O)[C@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)C1 223689668 RVLXTVFPMSDSJA-HNNXBMFYSA-N 303.406 2.821 0 50 DFAA COc1cccc(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c1 426379673 IVVSTVLJDLGVET-FGTMMUONSA-N 305.418 2.854 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)N(Cc1nccn1C)C1CC1 43281966 XGPFPERSXPQYKY-UHFFFAOYSA-N 322.412 2.944 0 50 DFAA Nc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)ncn1 96149246 GXSUWKTXLCPPFP-UHFFFAOYSA-N 324.215 2.692 0 50 DFAA Cc1ccc2nc(CNC(=O)[C@H]3COc4ccccc4C3)cn2c1 95511364 GPKBZLJISYEYSR-OAHLLOKOSA-N 321.380 2.510 0 50 DFAA CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)Nc1c(C)noc1C 622791123 XWORTMLJJKJBKK-TZMCWYRMSA-N 318.377 2.614 0 50 DFAA c1ccc(CN2C[C@@H](COc3ccccc3)OC23COC3)cc1 248127415 VPPSFZPHXKXTJX-SFHVURJKSA-N 311.381 2.693 0 50 DFAA CCc1nc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)n[nH]1 297281248 GIOPKEXAHIWEOH-GFCCVEGCSA-N 317.393 2.787 0 50 DFAA COc1cc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)ccc1F 257191608 QTCUSKHCKZOORW-KRWDZBQOSA-N 323.408 2.730 0 50 DFAA COCCOc1ncc(Br)cc1C(F)(F)F 616567888 DNWRFYMOTNIITC-UHFFFAOYSA-N 300.074 2.888 0 50 DFAA Cn1ccc(-c2noc([C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)n2)n1 634667727 XKFHUIXGPUTAJS-NWDGAFQWSA-N 324.340 2.512 0 50 DFAA COCCc1nc(Cc2ccsc2)n(-c2ccncc2)n1 584902809 LYBBEPZKFFMRLQ-UHFFFAOYSA-N 300.387 2.504 0 50 DFAA CN(CC[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 670466606 OWWZPWZIHWZCBO-GFCCVEGCSA-N 324.471 2.553 0 50 DFAA Cc1nc(C(C)(C)NC(=O)c2cc(C3CCCCC3)n[nH]2)no1 270260314 CZVHKYJWWCEARJ-UHFFFAOYSA-N 317.393 2.814 0 50 DFAA Cc1nn(C2CCC2)cc1CN1C[C@@H](C2CC2)[C@@](F)(C(=O)O)C1 1875405482 HDNQFOOCVGZQNX-DOTOQJQBSA-N 321.396 2.551 0 50 DFAA Cc1ccc([C@H]2CCCN2C(=O)NCc2nonc2C)cc1 873277786 LOMOXLLXVZZVSL-OAHLLOKOSA-N 300.362 2.733 0 50 DFAA Cc1cc(F)cc([C@H](C)C(=O)O[C@H]2CC(=O)NC3(CCC3)C2)c1 1875287483 LUYQAVURFKUFJH-WFASDCNBSA-N 319.376 2.982 0 50 DFAA CC(C)c1cc(N2CCC([C@@H](C)CO)CC2)nc(N(C)C)n1 1875266727 QWSNEFYUIVPPSK-ZDUSSCGKSA-N 306.454 2.511 0 50 DFAA O=C(N[C@@H](CO)CC1CCC1)c1cccc(Cc2ccccn2)c1 1875294160 BUPZDYRLRXLQJL-LJQANCHMSA-N 324.424 2.953 0 50 DFAA C=CC(=O)N(Cc1ccc2c(c1)OCCO2)[C@H](C)C(F)(F)F 1875388339 XGEHCAZYHYWCIS-SNVBAGLBSA-N 315.291 2.923 0 50 DFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)C[C@@H]1CCCOC1 952979385 SQDRYBWVROZFIQ-AWEZNQCLSA-N 315.417 2.771 0 50 DFAA CCc1nn(C)c(Cl)c1CNCCCNc1ccc(C)cn1 952866847 GQONNOFQNGIUFY-UHFFFAOYSA-N 321.856 2.931 0 50 DFAA Oc1ccc([C@@H]2CN(c3ccc(C(F)(F)F)cn3)CCN2)cc1 1434446052 KGTOOJSQEZZNRU-AWEZNQCLSA-N 323.318 2.957 0 50 DFAA O=C(OCc1ccccc1)N1CCc2ncnc(Cl)c2CC1 75629454 SCOCDDMKQDHYSW-UHFFFAOYSA-N 317.776 2.867 0 50 DFAA in-vitro COC1(OC)CC2(CN(C(=O)[C@@H](C)CSC)[C@H]2C(C)C)C1 585130317 MUDWLIBOZUFDNT-STQMWFEESA-N 315.479 2.622 0 50 DFAA C[C@@H]1CCCc2cc(-c3noc([C@](C)(O)C4CC4)n3)c(O)nc21 585120454 OIPJLAWASIRYPS-VVVCHXIZSA-N 315.373 2.895 0 50 DFAA Cn1ccc2ccn(CCOCC(F)(F)C(F)(F)F)c(=O)c21 170088038 FSWXORKCNUKWGB-UHFFFAOYSA-N 324.249 2.554 0 50 DFAA CCOC(=O)C[C@@](C)(NCCC1OCCCO1)c1ccccc1 408516441 DJLVKCIFVWNCCT-GOSISDBHSA-N 321.417 2.598 0 50 DFAA CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C(=O)O)cn1 647738930 QEKNQCTZVKXCIE-OAHLLOKOSA-N 313.357 2.788 0 50 DFAA O=C(Cn1cccn1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 193597978 KANFAVGJOIUHPN-UHFFFAOYSA-N 324.359 2.819 0 50 DFAA COc1ccccc1Cn1nc(C)c([C@H]2CCCC(=O)N2)c1C 664096402 OZEWGVCCGRFMPZ-OAHLLOKOSA-N 313.401 2.898 0 50 DFAA CCc1c(C)noc1NC(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 1529195564 LUTQGDYENNSTBV-GFCCVEGCSA-N 317.320 2.749 0 50 DFAA CCOC(=O)N1CCC(N2CCC[C@]3(CCC[C@H]3OC)C2)CC1 1704342155 JFKFPLLAXOYSQX-SJLPKXTDSA-N 324.465 2.888 0 50 DFAA Cc1c(Cl)cccc1NC(=O)NC[C@@H]1CCCN(C(N)=O)C1 1616035095 QQORHVYLZCJBPK-NSHDSACASA-N 324.812 2.561 0 50 DFAA O=C(O)[C@@](O)(c1ccccc1)c1ccc(Br)cc1 32131443 ZISFIJBYCYVOAF-CQSZACIVSA-N 307.143 2.770 0 50 DFAA O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1C1(O)CC1 1772812046 GTTLRWOLAAQOLK-ZDUSSCGKSA-N 313.319 2.764 0 50 DFAA CC(=O)Nc1cccc(NC(=O)COc2ccc(F)cc2F)c1 12379754 STSQMPMCFAIMPH-UHFFFAOYSA-N 320.295 2.941 0 50 DFAA O=C(Cc1c(O)c2ccccc2[nH]c1=O)OC1CCCCC1 13113738 LWBORKBNRJRGAG-UHFFFAOYSA-N 301.342 2.652 0 50 DFAA O=C(Nc1ccncc1)C1CCN(C(=O)c2cccs2)CC1 16625247 HMLHNIIYDVDDLT-UHFFFAOYSA-N 315.398 2.634 0 50 DFAA CNC(=O)c1cnc(C=Cc2ccc(N3CCCC3)nc2)s1 1857532307 ZYCDRVOXLVBREZ-UHFFFAOYSA-N 314.414 2.668 0 50 DFAA O=C(Nc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@@H]([C@H]3C[C@H]32)[C@H]1C(=O)O 226240722 FUUAOXCZTSOACV-CTTWBBHYSA-N 301.317 2.533 0 50 DFAA CC(C)(C(=O)O)c1ccc(NC(=O)Cc2ccc(O)cc2)cc1 321728615 INFVFLZOWCSDTE-UHFFFAOYSA-N 313.353 2.936 0 50 DFAA COc1cc(CNC(=O)COc2ccc3ccccc3c2)ccn1 128093392 HZAIDMWOVIXDKN-UHFFFAOYSA-N 322.364 2.939 0 50 DFAA O=C(O)[C@H]1CC12CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 675950331 KDNSTOWIBDUZIB-GDBMZVCRSA-N 313.397 2.820 0 50 DFAA O[C@H](CN[C@H]1CCOc2ccc(F)cc21)c1ccc(F)cn1 819048678 OSTOIURTOVKLOV-DZGCQCFKSA-N 306.312 2.507 0 50 DFAA O[C@H](CNC1CCN(C2CC2)CC1)c1ccc(Cl)c(F)c1 838984430 JQUCUZMZYRDZAS-MRXNPFEDSA-N 312.816 2.729 0 50 DFAA O=S1(=O)CCN(Cc2sccc2Cl)[C@@H]2CCCC[C@H]21 338547394 NRTXICOBNGQSNY-DGCLKSJQSA-N 319.879 2.943 0 50 DFAA O=C(O)[C@H]1CN(Cc2ccn(C3CCC3)n2)Cc2ccccc21 2325775329 XRXVDQMQUVDQBB-KRWDZBQOSA-N 311.385 2.792 0 50 DFAA CC(C)(C)C[C@@H](CNC(=O)C12C[C@@H]3CC(C[C@H](C3)C1)O2)C(=O)O 2325784423 DGNMUJLTVBFXJM-CPGBTUAPSA-N 323.433 2.587 0 50 DFAA CC1(C)C[C@@H](CO)CN1C(=O)NCc1cccc2ncccc12 2325799511 DBIYDIDQOAMSCI-CYBMUJFWSA-N 313.401 2.537 0 50 DFAA CCN1CCCN(C(=O)c2cc3ccc(OC)cc3[nH]2)[C@@H](C)C1 910291051 CDWBPDKMBOJVAD-ZDUSSCGKSA-N 315.417 2.733 0 50 DFAA C[C@H](Cn1cccn1)N[C@@H](c1ccc(Cl)cc1)c1ncon1 123284157 VUSOHKCMSIPOLE-RISCZKNCSA-N 317.780 2.687 0 50 DFAA O=C1c2ccccc2CN1CCSC(=S)N1CCCC1 242435 KAKSUVQQZNNAFK-UHFFFAOYSA-N 306.456 2.756 0 50 DFAA COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 288539 DDIZFOFKJKNJPE-UHFFFAOYSA-N 314.360 2.797 0 50 DFAA O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 342833 IBRLPMYEEPGIAK-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1 482221 PTQMUAPZOJNCKV-OAHLLOKOSA-N 324.380 2.848 0 50 DFAA CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2C1=O 1165116 JSDXSAVKERMKTF-LBPRGKRZSA-N 322.364 2.794 0 50 DFAA 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2.513 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1cccc(Oc2ccncc2)c1 346364266 ZAWSTGZFCJEJNF-OAHLLOKOSA-N 312.325 2.563 0 50 DFAA COc1ccc(C(C)C)cc1CN1CC[C@H](CNC(C)=O)C1 67894854 CITANKNYAPBFLE-OAHLLOKOSA-N 304.434 2.777 0 50 DFAA O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/C(F)(F)COc2ccccc2)O1 22011900 SJHMQXMERUQDSR-BNBDNKSYSA-N 324.323 2.569 0 50 DFAA COC[C@H](C)NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 252475039 RGJKGMRZFOXCJH-WFASDCNBSA-N 310.825 2.628 0 50 DFAA COCc1nc(CN2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)cs1 252514788 DVQAGTAMUNRZLR-XBFCOCLRSA-N 324.446 2.596 0 50 DFAA Cc1nc2c(c(NC[C@H]3CCCCN3C3CC3)n1)CCCC2 433813459 ZBEASRMEUAPVNJ-OAHLLOKOSA-N 300.450 3.093 0 50 DFAA COCC[C@H]1CCCCN(C(=O)Cc2n[nH]c3ccccc23)C1 365043276 OGAAHGXJJIHQBM-CQSZACIVSA-N 315.417 2.771 0 50 DFAA Cc1ccc2ncnc(N3CCC([C@H](O)c4ncc[nH]4)CC3)c2c1 365056982 TUBITGKRSYJIJN-INIZCTEOSA-N 323.400 2.611 0 50 DFAA O=C(c1cccc(O)c1)N1CCCN(c2ccc(F)cc2)CC1 77438714 GNJDJQWNQTYOIX-UHFFFAOYSA-N 314.360 2.884 0 50 DFAA CNC[C@H]1CCCN(C(=O)c2ccc(F)c(CSC)c2)C1 237312370 MYLRNTQUNJILCP-GFCCVEGCSA-N 310.438 2.760 0 50 DFAA Cn1c(CNC(=O)c2ccc(Cl)c(F)c2)nnc1C1CCC1 129463655 WBDOUTYZGYODMZ-UHFFFAOYSA-N 322.771 2.805 0 50 DFAA COc1ccccc1OC1CCN(C(=O)CCSC)CC1 77425505 YHSILGNUFIOILD-UHFFFAOYSA-N 309.431 2.818 0 50 DFAA Cc1ccc([C@@H](CCO)NC(=O)c2nc(C)sc2C)cc1 216273641 BPNSCJMQXVISFV-CQSZACIVSA-N 304.415 2.922 0 50 DFAA Cc1cc2nc(C(C)C)cc(NCc3snnc3C)n2n1 72410539 WWVBGMDVYNBKHK-UHFFFAOYSA-N 302.407 2.933 0 50 DFAA COC[C@@H]1CCCN1C(=O)c1cccc(CCC(C)(C)O)c1 72431910 IMLKUPCRGZVXDH-INIZCTEOSA-N 305.418 2.641 0 50 DFAA CCc1occc1C(=O)N[C@H](C(=O)O)c1ccc(F)c(C)c1 262951916 HIONYUVOLNYLOA-AWEZNQCLSA-N 305.305 2.845 0 50 DFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(Cl)ccc2F)C1 379233723 TZSIZQMLHCNPTP-LDYMZIIASA-N 324.705 2.973 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCO[C@H](c2cccnc2)C1 216369386 DBTREXSGDZXKEX-HNNXBMFYSA-N 320.824 2.604 0 50 DFAA O=C(CN1CCOCC1)N1CCCCC[C@H]1c1cccc(F)c1 222512215 DVUIEGJFCPPABB-KRWDZBQOSA-N 320.408 2.602 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCc1cccnc1 223208724 PWFHDXAYHMXWKX-ZDUSSCGKSA-N 301.415 2.973 0 50 DFAA C[C@@H](CN(C)C)NC(=O)N(C)Cc1cc2ccccc2s1 426423827 XJJFFQFHGXQXLL-LBPRGKRZSA-N 305.447 2.993 0 50 DFAA Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H](C(=O)O)C1 178266086 OZADCIBXORAFBR-AWEZNQCLSA-N 310.353 2.604 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2-n2cnnc2)no1 426546146 KKQBBBHHIXHKIX-INIZCTEOSA-N 323.356 2.541 0 50 DFAA CCCOc1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)cc1Cl 426733959 FYEQUAVFNYGASW-SMDDNHRTSA-N 323.824 2.954 0 50 DFAA CCC[C@]1(C(=O)O)CCCN(C(=O)CCc2ccncc2)C1 91476330 QYFJBMMGTQMHOQ-KRWDZBQOSA-N 304.390 2.508 0 50 DFAA C[C@@H](Cc1cnccn1)NC(=O)c1ccc2cccc(F)c2n1 91986934 PPOGNOADRNXMID-NSHDSACASA-N 310.332 2.525 0 50 DFAA C=Cc1ccc(NC(=O)NCCCN2CCCC[C@H]2CO)cc1 96164249 HKADXBLOCUBIAI-KRWDZBQOSA-N 317.433 2.688 0 50 DFAA CCC1(CC)CCCN(C(=O)c2cnc(C3CC3)nc2N)C1 618672042 AWXQMOBBZUVNTP-UHFFFAOYSA-N 302.422 2.979 0 50 DFAA CC(C)c1cc(C(=O)N2CCN(Cc3ccsc3)CC2)on1 92065865 IBUBFQMJIKAOGB-UHFFFAOYSA-N 319.430 2.818 0 50 DFAA CCc1nc(C)c(CNC(=O)[C@@H]2COc3ccccc3C2)s1 95519764 LONSGNYHVGEEGZ-ZDUSSCGKSA-N 316.426 2.881 0 50 DFAA CCn1nc(C)c(CNc2nc3c(s2)c(C)nn3C)c1C 95508222 ACXJITYBMPGNBH-UHFFFAOYSA-N 304.423 2.784 0 50 DFAA Cc1cc(C)n([C@H]2CCN(Cc3snnc3C(C)C)C2)n1 244794597 QPUGPVUZLKZLPJ-ZDUSSCGKSA-N 305.451 2.922 0 50 DFAA COCC1(NC(=O)N(C)CC[C@H](O)c2ccccc2)CCCC1 534634274 AFRSBYRIMFWZNC-INIZCTEOSA-N 320.433 2.711 0 50 DFAA COc1cccc(C)c1C(=O)NCCCc1c(C)noc1C 824795702 PJWIXSMMGMRHLW-UHFFFAOYSA-N 302.374 2.971 0 50 DFAA CCCCCc1nc(CNC(C)=O)n(Cc2ccccc2)n1 584884429 QSADCSPDGQOHHI-UHFFFAOYSA-N 300.406 2.695 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 269185746 LBXFANIGFFKWTH-QJZXMWHDSA-N 308.372 2.797 0 50 DFAA COc1cc([C@@H](C)NC(=O)C23CCCN2CCC3)ccc1F 952963444 NMCURVPZOCQTEM-GFCCVEGCSA-N 306.381 2.640 0 50 DFAA Cc1ccnc(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)c1 1875295880 TXJBBKHVLAFHGT-MRXNPFEDSA-N 315.804 2.830 0 50 DFAA O=S(=O)(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C1CC1 1875291707 JEKFDXTZMAUXHE-UHFFFAOYSA-N 320.389 2.577 0 50 DFAA C[C@H]1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)C1 271096688 ZIBYXPMTAUKPFU-ZDUSSCGKSA-N 306.369 2.903 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)c1cccc2c1CCC2=O 952970619 WDRAEQHHHQQBDQ-CYBMUJFWSA-N 301.386 2.847 0 50 DFAA COc1nccc(-c2noc(CC3CC3)n2)c1Br 1774956596 KVJNGEOAOGCAOJ-UHFFFAOYSA-N 310.151 2.855 0 50 DFAA CN(C)C(=O)CCN1CCC[C@H]1c1ncc(-c2ccccc2)[nH]1 1775986621 BUEGVMPCHUHIOU-INIZCTEOSA-N 312.417 2.692 0 50 DFAA O=C(NC(C1CC1)C1CC1)N[C@H]1CCCO[C@@H]1c1ccncc1 275251829 AKEMBECESNAURQ-DOTOQJQBSA-N 315.417 2.790 0 50 DFAA CCN(C)[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1 170088750 LZVMWTKFVHXZEL-AWEZNQCLSA-N 323.444 2.558 0 50 DFAA C[C@@H](CC(=O)Nc1cccc(CO)n1)c1ccc(F)cc1F 170088544 RPOJMKYBBDGSLV-JTQLQIEISA-N 306.312 2.984 0 50 DFAA CCN1CCN([C@H](C)CN[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 222100061 NOQMRVBDRPYTTD-DFEOGRTESA-N 307.526 2.817 0 50 DFAA Cc1noc(C)c1CCCNC(=O)N1CC(C)(C)OC(C)(C)C1 170604102 LMXMWPGKZZDOSC-UHFFFAOYSA-N 323.437 2.823 0 50 DFAA Cc1cccc(F)c1NC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 279518964 KDLZUOXTKIODNE-AHIWAGSCSA-N 322.380 2.934 0 50 DFAA CC(=O)c1c[nH]c(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 584906892 JQUSFUCKWSEAQV-TZMCWYRMSA-N 304.296 2.781 0 50 DFAA CN1C(=O)CCc2cc(CN(CCO)c3ccccc3)ccc21 191971368 PBWCXUFBJLVYKM-UHFFFAOYSA-N 310.397 2.595 0 50 DFAA CC1(C)C[C@@H](O)CCN(c2nnc(-c3ccc(O)cc3)s2)C1 585132928 HJOBJQQDFMXALE-ZDUSSCGKSA-N 319.430 2.898 0 50 DFAA Cc1cnccc1CCNCC1(C)CN(C(=O)OC(C)(C)C)C1 585116760 HPDWRXZIXMVUCT-UHFFFAOYSA-N 319.449 2.779 0 50 DFAA CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1nccs1 585121990 IXLZWYOKPNJRAU-SECBINFHSA-N 310.810 2.698 0 50 DFAA COC[C@H](C)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 193688600 DLJHPNBBYZCZJQ-JTQLQIEISA-N 307.781 2.837 0 50 DFAA O[C@H](c1ccc(F)cc1)c1nccn1CCO[C@@H]1CCCCO1 194723210 PNTUTXUXSMRQNW-HZPDHXFCSA-N 320.364 2.647 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(C)c1 1529133724 FGLOSZWPQNYHQB-MSOLQXFVSA-N 324.424 2.994 0 50 DFAA CCCn1nc(C)cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 1529191730 DOFSHOUNCYCEGR-ZDUSSCGKSA-N 312.373 2.666 0 50 DFAA CC1=CC2(CCN(C(=O)c3ncc(F)cc3F)CC2)OCC1 1704301113 KRAXMURHFLWTCS-UHFFFAOYSA-N 308.328 2.701 0 50 DFAA CC(C)OCC1CCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1775984304 NPTRSDJVCPHRFV-QGZVFWFLSA-N 310.482 2.770 0 50 DFAA COc1ccc(CCCc2nc(C)nn2[C@@H]2CCOC2)cc1 1772815292 OVMKNFOOYYGVLD-OAHLLOKOSA-N 301.390 2.732 0 50 DFAA CN(CCNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 13673514 FNDLYBPBNDTFDT-UHFFFAOYSA-N 324.833 2.755 0 50 DFAA CCOC(=O)CC1=Nn2c(nnc2-c2ccc(C)cc2)SC1 15017303 RTLBXBJBGOGSHY-UHFFFAOYSA-N 316.386 2.517 0 50 DFAA CCN1Cc2ccccc2C[C@H]1C(=O)Nc1c(C)cnn1CC 19798626 WVAARNDVGYYSHD-INIZCTEOSA-N 312.417 2.597 0 50 DFAA C[C@@H](NC(N)=O)C(=O)N1CCCCC[C@@H]1C=Cc1ccccc1 1857533280 BDNIDANCTZWQOH-GDBMZVCRSA-N 315.417 2.528 0 50 DFAA CC1(C)CC[C@@H](N2CCN(CCc3ccccc3)C(=O)C2)C1 1857670464 OQCGTFYJWTZPSI-QGZVFWFLSA-N 300.446 2.952 0 50 DFAA O=C(Cc1noc2ccccc12)N[C@H]1CCCCCC[C@@H]1O 1857714047 QBZPGNJMEXICMJ-ZFWWWQNUSA-N 302.374 2.570 0 50 DFAA COC(=O)[C@@H]1CCn2c(nnc2-c2ccc(C(C)(C)C)cc2)C1 601043999 LSGNNQRQNHERPN-CYBMUJFWSA-N 313.401 2.978 0 50 DFAA COc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1F 1067463 HNUMZLHNBGBWFO-GHMZBOCLSA-N 301.383 2.501 0 50 DFAA C[C@H](c1ccccc1Cl)N1CCN(CCCC(=O)O)CC1 116347696 PTMNUMZRCJHWOY-CYBMUJFWSA-N 310.825 2.883 0 50 DFAA Cc1ccccc1OCCCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2 237556871 SHDAABPNBVGHQM-ALOPSCKCSA-N 316.445 2.801 0 50 DFAA CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 241720868 QSXINIKQOSVOCC-LBPRGKRZSA-N 321.387 2.843 0 50 DFAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 827697312 SWHUTKMFZXRLOY-BMGDILEWSA-N 310.397 2.591 0 50 DFAA c1ccc(CN2CCC(NCc3cnn4c3CCC4)CC2)cc1 657285561 JHOCTYAOONCUCA-UHFFFAOYSA-N 310.445 2.584 0 50 DFAA COc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 529663 ZWJQURYOTRMGNW-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 380177 VTFLYEZREDSVKP-UHFFFAOYSA-N 319.382 2.891 0 50 DFAA CC[C@@H](C(=O)N1CCC[C@]2(C1)OC[C@@H]1C[C@@H]12)C1(O)CCCCC1 2325782967 PWRVGPHIAODISN-IUVQAAGXSA-N 321.461 2.735 0 50 DFAA C[C@@H]1CNCC[C@@H]1Cn1cc(-c2nc3ccccc3s2)nn1 2325800565 TXYYKNGMTBXAOQ-VXGBXAGGSA-N 313.430 2.800 0 50 DFAA Cc1cccc(C)c1OCC(=O)NCc1ccc2c(c1)OCO2 461152 UXOQIDSHPHIMAQ-UHFFFAOYSA-N 313.353 2.727 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cc(O)nc3ccccc23)CC1 2356140558 MGWDLXSLLUUEGC-HAQNSBGRSA-N 300.358 2.628 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2n1)C(=O)O 2567255 IKKVPSHCOQHAMU-AWEZNQCLSA-N 316.357 2.755 0 50 DFAA Cc1nc2cc(NC(=O)CSc3nnc(C)s3)ccc2[nH]1 9187491 UQTQJJLLZAWXNL-UHFFFAOYSA-N 319.415 2.762 0 50 DFAA COCc1nn2c(=O)c(Cl)c(C)[nH]c2c1-c1ccccc1 9261003 IAXVWBVPDOBAEM-UHFFFAOYSA-N 303.749 2.798 0 50 DFAA c1cn(CCCn2ccnc2-c2ccc(-c3cc[nH]n3)o2)cn1 67756389 UTDLXTNYGAIYSE-UHFFFAOYSA-N 308.345 2.820 0 50 DFAA CN(CC[C@@H](O)c1ccccc1)Cc1cn(-c2ccccc2)nn1 72138848 QEGIFVAXMBECMH-LJQANCHMSA-N 322.412 2.823 0 50 DFAA C[C@@H](c1cccc2ccccc12)N1CCO[C@@H](Cn2cncn2)C1 229499568 XJHDDSRIWYNZAI-DOTOQJQBSA-N 322.412 2.893 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 252656422 GHZCVZUODMORTH-CUOATXAZSA-N 313.228 2.904 0 50 DFAA C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2384764 QWXZOFZKSQXPDC-NSHDSACASA-N 311.337 2.998 0 50 DFAA biogenic O[C@@H]1c2ccccc2C[C@H]1N1CCO[C@@H](c2cccs2)C1 253418684 VNKXAHRQWAOWOL-BFYDXBDKSA-N 301.411 2.780 0 50 DFAA C[C@@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@H]1N1CCOCC1 253429762 UPUQBVKEKSCTFK-ZIAGYGMSSA-N 323.506 2.593 0 50 DFAA CN(C)c1ccc(Cl)cc1NC(=O)[C@H](N)Cc1ccccc1 315746621 HBAABRHFPIWOEU-CQSZACIVSA-N 317.820 2.915 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 72164899 XUFNJLMIBJJTEU-INIZCTEOSA-N 312.417 2.633 0 50 DFAA CC[C@H](CC(=O)NCc1ccc(-n2ccnc2)nc1)C(C)C 363484202 TWTVORFOEBFRJL-OAHLLOKOSA-N 300.406 2.956 0 50 DFAA O=C(N[C@H](c1ccccc1)C1CC1)N1CC(F)(F)C[C@H]1CO 364661401 PEIVLURGBIOQFC-UONOGXRCSA-N 310.344 2.549 0 50 DFAA Cc1nc(C)c(C(=O)N2CCCN(Cc3cccs3)CC2)o1 72907929 UKQXNIOXKAPCOB-UHFFFAOYSA-N 319.430 2.701 0 50 DFAA COc1ccc2c(c1)CCCCN2C(=O)CC(C)(C)C(=O)O 367995749 CGJVYLUWWMMGJH-UHFFFAOYSA-N 305.374 2.865 0 50 DFAA CC(C)c1nnc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)s1 241588536 PDXLCOHMHFREJD-NEPJUHHUSA-N 324.450 2.515 0 50 DFAA COc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cc1F 72406934 ZQXAMNZHSWBYHM-UHFFFAOYSA-N 303.337 2.577 0 50 DFAA Cn1ncc2c(N3CCCC3)nc(CCc3ccccc3)nc21 72153863 CEQWTTQTFHBVTO-UHFFFAOYSA-N 307.401 2.749 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C[C@]1(c2ccccc2)CCOC1 215256484 UYGKKZDZMNMTLH-LJQANCHMSA-N 313.445 2.859 0 50 DFAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cc(F)ccc1C 77454417 WZTVUEXFSQYCKG-OAHLLOKOSA-N 321.396 2.999 0 50 DFAA O=C(NCC1CC1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 132198605 QBYQYOIJQNUGMN-SJORKVTESA-N 310.401 2.821 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2c(C)coc2C)c1 284947420 JABVMEJPFGMDBE-GDBMZVCRSA-N 315.369 2.853 0 50 DFAA COCc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c1 608258247 ZXVAOCYCQIBCPA-UHFFFAOYSA-N 323.418 2.654 0 50 DFAA C[C@@H]1CN(C(=O)c2ccnc(NC(=O)C3CC3)c2)CCC1(F)F 290994530 SSZBFJAVTOJBCI-SNVBAGLBSA-N 323.343 2.547 0 50 DFAA COc1ccc(C(C)C)cc1-c1cn([C@H](C(N)=O)C(C)C)nn1 91871912 DIMPKHFXFLECEZ-INIZCTEOSA-N 316.405 2.760 0 50 DFAA CC1(C)CC(CC(=O)N[C@@H](CO)c2ccccc2)CC(C)(C)N1 97733053 AXUBJPQHLYFLSP-INIZCTEOSA-N 318.461 2.783 0 50 DFAA CN(Cc1cnc(N)nc1)C(=O)CC12CC3CC(CC(C3)C1)C2 91476730 ORYWMEWLCRJKGU-UHFFFAOYSA-N 314.433 2.624 0 50 DFAA CCCn1cc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)c(C)n1 91656000 CJFAZBKYNIDJFK-OAHLLOKOSA-N 315.421 2.502 0 50 DFAA CC[C@]1(CO)CCCN(C(=O)NCCc2ccc(F)cc2)C1 91651074 KABJQRQTLFDXJL-KRWDZBQOSA-N 308.397 2.562 0 50 DFAA CCc1nc(C)sc1C(=O)N1CCN(C(C)C)[C@@H](CC)C1 91519159 FOCQLLUOGPAISV-ZDUSSCGKSA-N 309.479 2.959 0 50 DFAA COc1ccc([C@@H]2CN(Cc3coc(C)n3)C[C@H]2N(C)C)cc1 91914658 SMLZACHVTHSXAN-ZWKOTPCHSA-N 315.417 2.521 0 50 DFAA COC[C@@H](NC(=O)Nc1ccccc1SC)c1ccnn1C 244866476 VWWDJHYIIJRCRO-GFCCVEGCSA-N 320.418 2.651 0 50 DFAA COc1cnc(CN2CCCC[C@H]2c2nccs2)cc1O 244741834 NXUWPWKCRMAGBE-LBPRGKRZSA-N 305.403 2.980 0 50 DFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1[nH]c(C)nc1C 621955246 ZSTYJZUIJCBVED-HNNXBMFYSA-N 312.417 2.768 0 50 DFAA CCCn1[nH]c(=NC(=O)Cn2ccnc2-c2ccccc2)cc1C 1940196666 YQSJVUAKNSEENQ-UHFFFAOYSA-N 323.400 2.526 0 50 DFAA O=C1C[C@H](C(=O)NCc2ccc3ccccc3n2)C2(CCCC2)O1 299794956 KKPKYCAHGUUPGG-OAHLLOKOSA-N 324.380 2.727 0 50 DFAA CCN(C(=O)c1cccc(-c2ccsc2)c1)[C@H]1COC[C@@H]1O 299757983 MCTXGUXVLWBPIY-HOTGVXAUSA-N 317.410 2.637 0 50 DFAA C[C@@H](NC(=O)c1ncoc1C1CC1)c1nncn1C1CCCC1 299765127 WJWJSWFNCLBTHR-SNVBAGLBSA-N 315.377 2.750 0 50 DFAA Cc1nnc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)o1 299777344 KKMRPAFZDGACKG-UHFFFAOYSA-N 307.781 2.515 0 50 DFAA Cc1cccc(-c2nn3c([C@H]4CCCN(C)C4)nnc3s2)c1 823771457 LVFJTXOZBSVKQC-ZDUSSCGKSA-N 313.430 2.970 0 50 DFAA CCOC(CN(CC)C(=O)Nc1cccc2c1CCO2)OCC 585136172 UQEMHZWBFIAQMX-UHFFFAOYSA-N 322.405 2.874 0 50 DFAA OCCn1nc(COc2ccc(F)cc2)nc1[C@@H]1CC=CCC1 670446884 XGHHXUABTRWDED-CYBMUJFWSA-N 317.364 2.812 0 50 DFAA CC(C)C[C@@H](C(=O)O)N1CC[C@H](n2ncc3ccccc32)C1 952852312 NYRPNZZNZCDPTB-HOCLYGCPSA-N 301.390 2.782 0 50 DFAA CN(C)C(=O)[C@H]1CCCN(C(=O)CC(C2CCC2)C2CCC2)C1 952994851 VIYNSGPIOCWECN-INIZCTEOSA-N 320.477 2.920 0 50 DFAA Cc1cccc(CNC(=O)NCc2ccc3c(c2)CC(=O)N3C)c1 1875276939 PAOIONPJJQPYGP-UHFFFAOYSA-N 323.396 2.513 0 50 DFAA Cc1nccc([C@H](C)NC(=O)Nc2c(C)noc2C2CC2)n1 1875277828 HSFVHEOFFAGINX-QMMMGPOBSA-N 301.350 2.842 0 50 DFAA O=C(O)[C@@H](c1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 1875323440 IYPGMXXYQQDWAB-LXZKKBNFSA-N 307.365 2.578 0 50 DFAA Cn1nc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)cc1O 888906243 ZYLNKFLBKLMIQV-CABCVRRESA-N 313.401 2.972 0 50 DFAA C[C@H]1CN(C(=O)Cc2cc(F)cc(Cl)c2)C[C@]1(O)C1CC1 1565506295 ACQKHZDJTCOBRP-MGPLVRAMSA-N 311.784 2.641 0 50 DFAA COCc1nc(C)c(C(=O)N2CCC[C@]3(CCCOC3)C2)s1 408007522 DLDIZGRBMBXSKW-INIZCTEOSA-N 324.446 2.631 0 50 DFAA Cc1cccc2[nH]cc(CCNC(=O)N[C@@H]3CCCC[C@H]3O)c12 185364133 ZQFHBMMWVSVABL-GDBMZVCRSA-N 315.417 2.622 0 50 DFAA Cc1cc(C(=O)N(C[C@H]2CCCN2)C2CC2)c2ccccc2n1 186560739 BELZJYLJGCZVSU-CQSZACIVSA-N 309.413 2.900 0 50 DFAA CCOc1cc(CNCc2cc(C)nn2C)c2c(c1)C[C@@H](C)O2 585081229 LSFCVRNRNDBJRT-CYBMUJFWSA-N 315.417 2.740 0 50 DFAA Cc1nnc(NC(=O)c2cccc([C@H]3CCCN(C)C3)c2)s1 585114087 XMXRTHXXGTYQCG-AWEZNQCLSA-N 316.430 2.908 0 50 DFAA CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(F)c2)nc1 680949540 WBDLZVUZXPUIPV-HNNXBMFYSA-N 320.389 2.966 0 50 DFAA CCc1ccc(C(=O)N2CCSC3(CCOCC3)C2)c(O)c1 189832461 GWYPGHBHIJQCCZ-UHFFFAOYSA-N 321.442 2.693 0 50 DFAA C[C@H]1CCC[C@H](NC(=O)Nc2cnn(-c3ncccn3)c2)CC1 190015177 GGHWWPBMOJIFIK-STQMWFEESA-N 314.393 2.753 0 50 DFAA COc1ccc2c(c1)OCCC[C@H]2NCCOc1cccnc1 195561630 QASBNVWDXFSJEG-QGZVFWFLSA-N 314.385 2.973 0 50 DFAA Cc1nccc(NC[C@H](O)COc2ccc(C(C)(C)C)cc2)n1 1252746084 BBGNZKYSOVNQRP-HNNXBMFYSA-N 315.417 2.934 0 50 DFAA COc1ccnc(CN(C[C@@H]2C[C@H]3CC[C@H]2C3)OC)c1OC 795213850 ZXWAHKIVZWWUFI-IHRRRGAJSA-N 306.406 2.898 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2)o1 390452 UMOIVCZIFXKXBX-OAHLLOKOSA-N 312.325 2.748 0 50 DFAA C[C@H](Oc1ccc([S@@](C)(=N)=O)cc1)C(=O)N1CCCCCC1 1615588882 UIKABWFYDFAHQG-XMHCIUCPSA-N 324.446 2.892 0 50 DFAA CCOC(=O)C(CC)(C(=O)OCC)c1nc2ccccc2o1 2173513 AWPZNBVBSLBEML-UHFFFAOYSA-N 305.330 2.602 0 50 DFAA COc1ccc([C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 5723098 XMIULYVRDUZRCB-MFKMUULPSA-N 309.362 2.777 0 50 DFAA C[C@H]1CN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 16662251 RPWQXDQJMQKTLU-HLLBOEOZSA-N 321.461 2.833 0 50 DFAA CC(C)C(=O)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1 5070622 WBOCERQBMRTAGL-CYBMUJFWSA-N 313.806 2.640 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CSCc1ccccc1)C(=O)O 1640072 IFVORPLRHYROAA-LBPRGKRZSA-N 311.403 2.898 0 50 DFAA biogenic,in-vitro Cc1cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)on1 113094196 PSQFAALOLALOPB-UHFFFAOYSA-N 313.401 2.720 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2c(C)nn(C)c2C)C1(C)C 122110262 RZRGSENENFONPT-CVEARBPZSA-N 303.450 2.934 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)O 237671308 VWCKFAMUKVOQHR-KBPBESRZSA-N 305.374 2.700 0 50 DFAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3cccnc3)ccc21 12324442 DNSIHGBFVUADTK-UHFFFAOYSA-N 307.353 2.977 0 50 DFAA O=C(NCc1ccc(Cn2cccn2)cc1)N1CCC[C@H]2C[C@@H]21 806426170 YNTDTJAOTQGOJS-IRXDYDNUSA-N 310.401 2.625 0 50 DFAA COc1nn(C)cc1NC(=O)N1CCC[C@H]1c1ccc(O)cc1 931053807 VICFYXIHQIWELS-AWEZNQCLSA-N 316.361 2.503 0 50 DFAA O=C(NCc1ncccn1)NCc1ccccc1CC(F)(F)F 858618860 HSTURLFHWBXHJM-UHFFFAOYSA-N 324.306 2.581 0 50 DFAA CCOC[C@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1 408518245 XUKHLMLQTJIPMR-ZETCQYMHSA-N 309.218 2.949 0 50 DFAA CC1(C)CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)CC(C)(C)N1 2325769886 JMWIJUPZPGYWIU-UHFFFAOYSA-N 312.417 2.679 0 50 DFAA O=C(c1cccn2ccnc12)N1CCCC[C@@H]1C1CCOCC1 2325791573 QMYQMYZVZNUQOG-MRXNPFEDSA-N 313.401 2.756 0 50 DFAA COC(=O)[C@@H](C)[C@H](C)NC(=O)C1(c2cc(C)cc(C)c2)CC1 2325792826 OYEDJORFXVVXPV-KBPBESRZSA-N 303.402 2.649 0 50 DFAA COc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 119627 MRHNWTODGOYUBO-NSHDSACASA-N 315.325 2.830 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 172918 XYUCULVKSMHHFJ-UHFFFAOYSA-N 316.382 2.989 0 50 DFAA COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccs1 202277 VYDAZAKNQNRIFR-LBPRGKRZSA-N 322.411 2.571 0 50 DFAA CCOC(=O)C1CCN([C@H](C)CCc2ccc(O)cc2)CC1 221536 AKTIDMIWTYMAEB-CQSZACIVSA-N 305.418 2.988 0 50 DFAA CCCCS(=O)(=O)Nc1nc2ccc(OC)cc2s1 6706621 YDDOWVMHFKKGQS-UHFFFAOYSA-N 300.405 2.847 0 50 DFAA Cc1ccccc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 20998792 HVLQAWNCFLQCHO-IBGZPJMESA-N 302.462 2.806 0 50 DFAA Cc1ccc2occ(CN3CCN4CCC[C@@H]4[C@H]3C)c(=O)c2c1 22078386 QDQPHCMTLITCIU-RHSMWYFYSA-N 312.413 2.770 0 50 DFAA CCCN(CC(=O)Nc1ccccc1NC(C)=O)CC1CC1 65456021 UEMRYSXCCWDROR-UHFFFAOYSA-N 303.406 2.706 0 50 DFAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(CN2CCCC2)o1 67675126 QVFCZQDJEJPAPL-CQSZACIVSA-N 306.406 2.517 0 50 DFAA Cc1c(NC(=O)[C@@]2(C)CCCCN2)cnn1-c1ccccc1F 423832396 XXQQLLWJGSKTHY-QGZVFWFLSA-N 316.380 2.791 0 50 DFAA c1ccc(Cn2cccn2)c(CN2CC[C@]3(CCCNC3)C2)c1 67919896 ZJILIBONAJUJJG-IBGZPJMESA-N 310.445 2.507 0 50 DFAA C[C@H](CCn1cccn1)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 253425517 OMXMUVPICXUACX-OLMNPRSZSA-N 316.424 2.836 0 50 DFAA CCc1ccsc1C(=O)N1CCC[C@H]1c1nc(N(C)C)no1 253433433 WUCWOVSUKUWEEH-NSHDSACASA-N 320.418 2.737 0 50 DFAA C[C@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1nccs1 215612544 MQYVCUCEAIUWGO-LBPRGKRZSA-N 319.430 2.826 0 50 DFAA O=C(Cc1cccc(N2CCCC2=O)c1)Nc1ccc(F)cn1 495082717 JODKJOURQJYKKR-UHFFFAOYSA-N 313.332 2.529 0 50 DFAA Cc1ccnc(NC[C@@H]2CCN(Cc3cnn4ccccc34)C2)c1 371372936 JBXXLMLZJQJZBF-INIZCTEOSA-N 321.428 2.972 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 376092793 MVEKHSUOWJPQJH-IBGZPJMESA-N 321.380 2.628 0 50 DFAA CC(C)[C@@H]1N(C(=O)c2cn(CC3CC3)nn2)CC12CCCC2 333306483 CVVBXLWVWPAKOM-HNNXBMFYSA-N 302.422 2.729 0 50 DFAA Cn1cc(NC(=O)N2CCC(OCc3ccccc3)CC2)cn1 76060861 JQZZEMBRFUUKKL-UHFFFAOYSA-N 314.389 2.633 0 50 DFAA CSc1ccc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)cc1 72411222 WQWZKYAHTHKTFL-MRXNPFEDSA-N 306.431 2.825 0 50 DFAA Cc1ccn2cc(Cn3cnc4ccc(F)cc4c3=O)nc2c1 43027801 YPDAXQSNZCENIF-UHFFFAOYSA-N 308.316 2.540 0 50 DFAA Cc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc(O)n1 132770896 ULRWIBWPURIRSB-UHFFFAOYSA-N 324.380 2.831 0 50 DFAA Cc1nc2cc(C(=O)N3CCC[C@@]3(C)C(=O)O)ccc2s1 426513724 QPMGCJGATNKZOV-HNNXBMFYSA-N 304.371 2.684 0 50 DFAA Cn1nc(-c2ccccc2Cl)nc1NC(=O)C1CCOCC1 292606020 QUTFBBRHMWSTPC-UHFFFAOYSA-N 320.780 2.501 0 50 DFAA C[C@@H]1CN(C(=O)c2scc3c2CCCC3)C[C@@]1(O)C1CC1 92001719 ADNCAIGXEQHRQZ-DIFFPNOSSA-N 305.443 2.860 0 50 DFAA Cc1cc(CN(C)C(=O)NCCCc2scnc2C)on1 426503330 OZVOWRSWDGETRF-UHFFFAOYSA-N 308.407 2.522 0 50 DFAA Cc1ccc2nc(C(=O)N(C)CCC[C@H]3CCCO3)cn2c1 91321755 IHIJRMBBNZIGFS-AWEZNQCLSA-N 301.390 2.674 0 50 DFAA Clc1ncnc2c1nc(Br)n2[C@@H]1CCCCO1 95627679 ZRHRGBOVIJMVGW-LURJTMIESA-N 317.574 2.941 0 50 DFAA O=C1CC[C@@H](CN2CCc3[nH]c4ccc(F)cc4c3C2)CCN1 294951012 MLFRPFNABIDQFK-GFCCVEGCSA-N 315.392 2.581 0 50 DFAA CCc1ccc(NC(=O)NCc2nc(CSC)no2)cc1 96148419 RXZBIFYWURJHKZ-UHFFFAOYSA-N 306.391 2.817 0 50 DFAA CCN(Cc1nc(COC)no1)C(=O)N[C@@H](C)c1ccsc1 534634162 CDHMCGYLQAIFNE-JTQLQIEISA-N 324.406 2.570 0 50 DFAA C[C@@H](CCn1cnc2ccc(Cl)cc2c1=O)N1CCCC1 584903502 FPJJGEMIPLOEMG-LBPRGKRZSA-N 305.809 2.924 0 50 DFAA CNc1nc(C)ccc1C(=O)N(C)Cc1ccc(F)c(F)c1 585134469 VJMGIKIXDDGEMX-UHFFFAOYSA-N 305.328 2.982 0 50 DFAA CCn1nc(CC(N)=O)nc1[C@@H](c1ccccc1)C1CCCC1 670444881 VUMPTIIIMSVDMC-KRWDZBQOSA-N 312.417 2.648 0 50 DFAA Cc1ccc(NCCCNC(=O)c2cnc3c(c2)CCCC3)nc1 670462923 ZMFJHWLGHYKSOQ-UHFFFAOYSA-N 324.428 2.896 0 50 DFAA COc1ccccc1[C@H](O)CN[C@H](C1CCC1)[C@H]1CCOC1 864097462 WJKNNRPQIGZYCF-YXJHDRRASA-N 305.418 2.523 0 50 DFAA COCCCC1(CNCCNC(=O)c2ccccc2F)CCC1 864088841 JOMOFLYIUIQSFS-UHFFFAOYSA-N 322.424 2.742 0 50 DFAA Cc1cccc([C@@H](CC(=O)O)NC(=O)[C@H]2Cc3ccccc32)c1 864230179 SKKNIVUBCGOQFX-DLBZAZTESA-N 309.365 2.967 0 50 DFAA Nc1nnc([C@@H]2CCCN(Cc3ccc4cnccc4c3)C2)o1 952994301 YXADQABNIBYUFA-OAHLLOKOSA-N 309.373 2.580 0 50 DFAA C[C@H]1OCC[C@]1(F)C(=O)Nc1ccc(-c2nncs2)cc1 1875276106 PBXPLUBOIYHAEF-YMTOWFKASA-N 307.350 2.661 0 50 DFAA Cn1ccc2cc(S(=O)(=O)Nc3cnn(C4CC4)c3)ccc21 1875280913 GJLLMEVWNBDATK-UHFFFAOYSA-N 316.386 2.511 0 50 DFAA CCC(CC)(CNC(=O)c1ccc([S@@](C)(=N)=O)cc1)OC 1775999281 HQVXZZNDWQFDSA-NRFANRHFSA-N 312.435 2.657 0 50 DFAA CCOc1ccc(CN(CC(OC)OC)C(=O)[C@H]2C[C@H]2C)cc1 1775993933 ONBBVYQKYASCRH-CJNGLKHVSA-N 321.417 2.689 0 50 DFAA CC(C)[C@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@H]1C(=O)O 1565525694 KLLQCIJQHPGKII-CABCVRRESA-N 307.365 2.574 0 50 DFAA CC[C@@H](NC(=O)Cc1ccncc1)[C@H](O)c1c(F)cccc1F 272468595 YVBKNKLPMJJXHA-PBHICJAKSA-N 320.339 2.531 0 50 DFAA COc1ccc(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)cc1 169974251 NREDEMBDZSNINP-INIZCTEOSA-N 316.382 2.724 0 50 DFAA C[C@H](NC[C@@H](C)[S@](C)=O)c1ccccc1Br 170062542 HVGVWGDVXSOYOS-LSYCYVAJSA-N 304.253 2.867 0 50 DFAA C[C@H]1CN(C(=O)CCc2cnn(C)c2)c2cccc(Cl)c2O1 189864713 AYHIRCWFBGUNAF-NSHDSACASA-N 319.792 2.820 0 50 DFAA Cc1noc(-c2ccccc2)c1C(=O)N1CC[C@](C)(C(=O)O)C1 191048093 XJCXTKVAFBRJCL-KRWDZBQOSA-N 314.341 2.587 0 50 DFAA C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)C1CC1)C(=O)O 195551988 JYJWGZUPRYRRQL-LERXQTSPSA-N 305.349 2.641 0 50 DFAA NC(=O)c1ccc(CCc2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)cc1 656050705 GDYDOJFLUYIEQA-KFWWJZLASA-N 311.385 2.857 0 50 DFAA Cc1cc(C(F)(F)F)cc(N2CCC(n3ccnn3)CC2)n1 663763818 RKQXMAQTGVGOOC-UHFFFAOYSA-N 311.311 2.842 0 50 DFAA O=C(O)c1sc2ccccc2c1CNC(=O)C1CCOCC1 676019572 YWOXOFWUXWGNTM-UHFFFAOYSA-N 319.382 2.642 0 50 DFAA CC1(C)CCc2cccc(NC(=O)N3CC[C@H](CO)C3)c2O1 585123708 CYVMOHPXVOBSHH-LBPRGKRZSA-N 304.390 2.636 0 50 DFAA CC[C@H](C)NC(=O)c1ccc(Nc2cc(COC)ncn2)cc1 782140771 HMOZKIUCWDDGOF-LBPRGKRZSA-N 314.389 2.895 0 50 DFAA CCCCn1nc(C)cc1NC(=O)[C@H]1Cc2ccccc2CN1 1529160011 ZFHMXAUUFYVDIS-MRXNPFEDSA-N 312.417 2.645 0 50 DFAA Cc1cc(S(=O)(=O)N2CCCCC2)ccc1Br 172507 GKCILCLYIZSIPJ-UHFFFAOYSA-N 318.236 2.932 0 50 DFAA in-vitro CCC[C@H]1CC[C@H](C(=O)N(CCO)Cc2cnc(C)[nH]2)CC1 1704309593 YAWAAVDUOIBSHH-SHTZXODSSA-N 307.438 2.646 0 50 DFAA C[C@H]1C[C@H](c2nc(-c3cc(Br)no3)no2)CCO1 1616038991 VEZXCXCYAWAVFQ-NKWVEPMBSA-N 314.139 2.770 0 50 DFAA C[C@@H]1CN(CCNC(=O)C2=CCCCC2)Cc2ccccc2O1 12042070 OOQVYSANDBEJSY-OAHLLOKOSA-N 314.429 2.886 0 50 DFAA CN(Cc1nccn1C)C(=O)c1ccc2nc(C3CC3)oc2c1 12446584 JIVRMZCEUWDSQE-UHFFFAOYSA-N 310.357 2.711 0 50 DFAA O=C(c1cnsn1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12701591 FAPOGFMHMSPJSE-SNVBAGLBSA-N 324.356 2.533 0 50 DFAA Fc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 4748550 XYLZIBXFJNFXQN-UHFFFAOYSA-N 316.405 2.740 0 50 DFAA COc1ccccc1CC(=O)N1CCN(c2ccccc2C)CC1 6714978 SWSAXEPAWPRBMW-UHFFFAOYSA-N 324.424 2.895 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)/C(C)=C\c2ccccc2)C1 4952370 QULKEWYHXBVNPY-HECSCLNYSA-N 301.386 2.892 0 50 DFAA CC(C)(C)C(=O)Nc1ccc(I)cn1 2526493 APVMIAULAFHJDJ-UHFFFAOYSA-N 304.131 2.671 0 50 DFAA in-vitro C[C@@H](Sc1ccc(Cl)cn1)C(=O)NC[C@@H]1CCCO1 119746557 MWGJQEKOHVSKFT-KOLCDFICSA-N 300.811 2.511 0 50 DFAA CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccon1 130037284 JXVYYIRKLCZAJX-UHFFFAOYSA-N 321.764 2.704 0 50 DFAA Cc1cc(=O)c2cc(C(=O)NCCc3ccccc3)ccc2[nH]1 16625216 VYRTXLNIYFOSLC-UHFFFAOYSA-N 306.365 2.809 0 50 DFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc(F)cn1 358806073 IOROBTVQVFGUMA-ZUZCIYMTSA-N 301.321 2.542 0 50 DFAA COC(=O)c1nccc(Cl)c1CN1CCC(F)(F)[C@H](C)C1 585137961 DVSPSSCWUXEVAU-SECBINFHSA-N 318.751 2.999 0 50 DFAA COc1cc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)ncn1 930534396 BWLZIBFUNQHBFY-ZDUSSCGKSA-N 314.345 2.560 0 50 DFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccsc1 36477 ILNVYBKYGIPXER-UHFFFAOYSA-N 321.398 2.671 0 50 DFAA Cn1cnc2cc(CNCc3cnn([C@@H]4CC4(F)F)c3)ccc21 2325777573 MCYKIPNXNUYTTD-OAHLLOKOSA-N 317.343 2.640 0 50 DFAA Cc1ncc(C(=O)NCc2noc(-c3ccccc3)c2C)c(C)n1 2325819067 QCVAKAZIZZESEU-UHFFFAOYSA-N 322.368 2.987 0 50 DFAA COc1ccccc1NC(=S)NC(=O)c1cccc(F)c1 361278 MVHAZCZLRSFLRD-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA Cc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1 1270229 IASQNKIHLMNYGN-UHFFFAOYSA-N 312.421 2.882 0 50 DFAA O=C(CCc1ccc(F)cc1F)N[C@H]1CC[C@H](C(=O)O)CC1 2356164819 IAYOCNNCYLLRQA-AULYBMBSSA-N 311.328 2.657 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 6692950 WUEVXPVJRUPJLC-HZPDHXFCSA-N 302.418 2.985 0 50 DFAA Cc1cnccc1CC(=O)N[C@@H]1CCOc2ccc(F)cc21 225447409 AMVHGJAJVBKDNY-OAHLLOKOSA-N 300.333 2.712 0 50 DFAA COc1cc(NC(=O)CCC2CCCC2)cc(-n2cnnn2)c1 1012034 LOLOMNWJVUMOSO-UHFFFAOYSA-N 315.377 2.580 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)c1cccs1 20400168 LMXFHPZDMLYVBB-NSHDSACASA-N 318.398 2.822 0 50 DFAA Cc1nc2c(N[C@H](C)c3nc(-c4ccncc4)no3)ncnc2o1 63855480 KRBRVLGRTWSVCB-MRVPVSSYSA-N 323.316 2.544 0 50 DFAA Cc1cnn(C[C@@H]2CCCN2C[C@@H](O)c2cccc(F)c2)c1 229491542 UXLATPQNUYUQEL-DLBZAZTESA-N 303.381 2.529 0 50 DFAA Nc1ccc(-c2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)cc1 252494152 NMHHUJBCPCWLSD-LSDHHAIUSA-N 308.341 2.959 0 50 DFAA CCc1nc2cc(N[C@@H](CS(C)(=O)=O)C3CC3)ccc2o1 252492961 MYIXWMSIKPPJQK-ZDUSSCGKSA-N 308.403 2.625 0 50 DFAA CC(=O)N1CCCC[C@@H]1C1=CCCN(CCc2ccccn2)C1 65455110 KITUYJIRQWSDDP-LJQANCHMSA-N 313.445 2.657 0 50 DFAA CC[C@H]1CN(Cc2cc3ccc(F)cc3[nH]c2=O)CC[C@@]1(C)O 67947322 APACGTOJMBYNFK-KBXCAEBGSA-N 318.392 2.650 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 281553528 NGWKXWCZZCWYMW-XIRDDKMYSA-N 319.424 2.807 0 50 DFAA CCn1nccc1CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 253396725 FWKWENKZFVCQTQ-YOEHRIQHSA-N 321.371 2.532 0 50 DFAA CN(C(=O)c1ccnc(C2CC2)c1)[C@H]1CCO[C@@H]1c1cccnc1 328995290 WGCOPYAURXDDHN-ZWKOTPCHSA-N 323.396 2.956 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@H](C)N[C@H](C)C1 153631908 BYNBFGQNAIDCLC-PHIMTYICSA-N 301.365 2.505 0 50 DFAA COCCn1ccnc1CN(C)Cc1cccc2cccnc12 216367071 NOUKPGFMPKKJPW-UHFFFAOYSA-N 310.401 2.710 0 50 DFAA CC(=O)NCCn1ccnc1-c1ccc(OC(F)(F)F)cc1 71753767 BDSMRVWRKQOVQS-UHFFFAOYSA-N 313.279 2.585 0 50 DFAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2CCC(=O)O)n1 262114784 FPEGWBHXKSETOD-LSDHHAIUSA-N 321.421 2.697 0 50 DFAA Cc1ccccc1[C@@H](CC(=O)O)NC(=O)CC[C@@H]1CCCCO1 237583071 XFRRXGVLSYQYOC-GOEBONIOSA-N 319.401 2.976 0 50 DFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1sc(C)nc1C 77287902 LFUNJTDRVYOJKU-LBPRGKRZSA-N 310.419 2.708 0 50 DFAA CCOc1ccccc1C(=O)Nc1cccc2c1OCC(=O)N2 378021111 YIVMQZCQVWWLET-UHFFFAOYSA-N 312.325 2.669 0 50 DFAA COc1ccc2[nH]c(C(=O)NCCc3nc(C)cc(C)n3)cc2c1 220216434 HDPBUBQJBWULNS-UHFFFAOYSA-N 324.384 2.556 0 50 DFAA Cc1ccc(NCCCNC(=O)[C@@H](C)c2ccc(O)cc2)nc1 223024637 FPNHCLHZXJUFPF-AWEZNQCLSA-N 313.401 2.818 0 50 DFAA CC(C)n1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O 40388146 VCRAZYBXBHZKIY-UHFFFAOYSA-N 305.341 2.687 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)cc1 264570528 UIHWAGOEZFMSTA-SAZUREKKSA-N 300.402 2.797 0 50 DFAA CSc1ccc(CC(=O)N(C)Cc2nc(C3CC3)no2)cc1 222509361 QLQRLCDKFRYUAK-UHFFFAOYSA-N 317.414 2.870 0 50 DFAA Cc1ncsc1CCCNC(=O)c1cccc2c1OCCO2 220290933 VQKHPJBPNRFDRS-UHFFFAOYSA-N 318.398 2.585 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)N(C)[C@@H]2CCc3ccccc32)n[nH]1 178526247 FHLNQMDEESRIHH-YVEFUNNKSA-N 312.417 2.978 0 50 DFAA C[C@H](c1ccon1)N(C)C(=O)c1ccc(-c2ccncc2)nc1O 426489893 JKRYGUOFIZLZRI-LLVKDONJSA-N 324.340 2.670 0 50 DFAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 95508430 AARVXDUGERGLMX-LLVKDONJSA-N 314.414 2.983 0 50 DFAA Cc1cc(=O)n(C)cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 230189731 UGOZTKWIODIFBQ-BMGDILEWSA-N 323.396 2.544 0 50 DFAA CCN1CCC[C@@](C)(C(=O)N2CC(OCc3ccccc3)C2)C1 95376441 DCSRRJLIYHRJLG-LJQANCHMSA-N 316.445 2.536 0 50 DFAA C[C@@H](c1ccc(C(=O)NCc2ccon2)o1)N1CCCCC1 97301318 IJERVQOLOCQXOW-LBPRGKRZSA-N 303.362 2.745 0 50 DFAA CCC[C@]1(CO)CCCN(Cc2nnc(-c3cccnc3)o2)C1 91943034 RQRVYNPHQKPODX-KRWDZBQOSA-N 316.405 2.506 0 50 DFAA CNc1cc([C@H]2C[C@H](Nc3cnc4ccccc4n3)C2)ncn1 240936894 SFNSNHDNBOMQSM-HAQNSBGRSA-N 306.373 2.820 0 50 DFAA O=C(Cc1ccoc1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299742187 IMFKGBYKNUEHJO-YOEHRIQHSA-N 303.333 2.855 0 50 DFAA O=C(C[C@H]1C=CCC1)NCc1csc(-c2cnccn2)n1 534583447 NFLZKMFLWBNVFD-NSHDSACASA-N 300.387 2.573 0 50 DFAA O=C(NCCc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 263639981 QYNVSXPGUGFMQI-UHFFFAOYSA-N 320.620 2.975 0 50 DFAA CC(C)n1cc(NC(=O)NCc2nc(C(C)(C)C)cs2)nn1 299798694 RPPHURQPVBLOSE-UHFFFAOYSA-N 322.438 2.935 0 50 DFAA CCCN1CCC(NCc2ccc(-c3ncon3)cc2)CC1 670471893 ZGAPJQGVTADDNJ-UHFFFAOYSA-N 300.406 2.701 0 50 DFAA C[C@H]1C[C@@H](CO)CCN1Cc1cnc(-c2ccccn2)s1 952963357 GKKOOJHPTNBVDV-STQMWFEESA-N 303.431 2.798 0 50 DFAA C=CC(=O)N(Cc1nc(C)c(C)s1)[C@@H]1CCCN(CC)C1 1875382656 LASYCGXAHDAXTO-CQSZACIVSA-N 307.463 2.759 0 50 DFAA CN(C)C/C=C/C(=O)N[C@@H](CCC(C)(C)C)c1ccn(C)n1 1875379699 UWWBSGLFXBAVLT-NPQIQWPPSA-N 306.454 2.522 0 50 DFAA O=C(NC1(C(F)F)CCCC1)c1c[nH]c2ccccc2c1=O 1772128154 NBBBMHKSAOLOPS-UHFFFAOYSA-N 306.312 2.836 0 50 DFAA CN(CCc1nc2ccccc2[nH]1)c1cc(C(F)F)ncn1 894334810 HFBGLVPMSWOFGE-UHFFFAOYSA-N 303.316 2.969 0 50 DFAA Cc1nc(N(C)C[C@@H](O)c2cccnc2)c2c(C)csc2n1 895937617 VCJKPSLIBUAPAS-CYBMUJFWSA-N 314.414 2.873 0 50 DFAA Cc1nc2c(c(NCc3cccc(C(=O)N(C)C)c3)n1)CCCC2 272905181 QGZQOCXDZPQYCX-UHFFFAOYSA-N 324.428 2.978 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2cccs2)cn1 275245227 FTPKWQSBOPIZSR-CORIIIEPSA-N 319.430 2.920 0 50 DFAA Cc1c(NC(=O)c2cnn3cccnc23)cnn1C1CCCC1 278417819 BLFUDRUEGXDHNB-UHFFFAOYSA-N 310.361 2.602 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)NCc2ncoc2C)C12CCCCC2 170591733 LUPUFTJVWSBVOU-LSDHHAIUSA-N 321.421 2.910 0 50 DFAA O=C(OCCc1c[nH]nc1C(F)(F)F)C1[C@@H]2CCCC[C@@H]12 170655334 KNCWKRYDFUSMJT-NXEZZACHSA-N 302.296 2.950 0 50 DFAA CC(C)N1CC[C@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C1=O 170626972 ONOGIDAZUHWNRL-DZPQGLOJSA-N 318.461 2.718 0 50 DFAA CCc1c(C(F)(F)F)noc1NC(=O)c1cc(OC)ccn1 673084971 WFUMIVUVEHWAQT-UHFFFAOYSA-N 315.251 2.912 0 50 DFAA O=C(N[C@@H]1CCCOCC1)N1CCc2cc(Cl)ccc2C1 189793881 YAHPVKYKELGSHW-OAHLLOKOSA-N 308.809 2.977 0 50 DFAA COc1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c(OC)n1 677873011 CXNAPAATABQUGD-SECBINFHSA-N 318.377 2.571 0 50 DFAA O=C1CCCC[C@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)N1 193794426 PVBITEGSWPYJTG-GFCCVEGCSA-N 313.357 2.703 0 50 DFAA COc1ccc2oc([C@@H](C)NC(=O)c3n[nH]nc3C)c(C)c2c1 194055411 YXVYRWAZVHPGQO-SNVBAGLBSA-N 314.345 2.667 0 50 DFAA CSc1ccc2nc(N3CCCNC(=O)C3)cc(C)c2c1 1506430931 ZOWHUXUTXFIOIO-UHFFFAOYSA-N 301.415 2.591 0 50 DFAA COc1nccnc1N1CCC[C@H]1c1nc(-c2ccccc2)no1 1529146435 OQUAKGYMORXNJW-ZDUSSCGKSA-N 323.356 2.877 0 50 DFAA COc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1 1529105944 LAMSMJPZDWFZAW-WNKDZCFJSA-N 316.445 2.886 0 50 DFAA Cc1ccc(C(=O)N(C)C2(CN)CCC2)cc1C(F)(F)F 638263300 WAHNUVZSOCGBRQ-UHFFFAOYSA-N 300.324 2.967 0 50 DFAA CC(F)(F)C1(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)CC1 1603207713 GSOOXAMECNARHB-VXGBXAGGSA-N 309.312 2.851 0 50 DFAA Cc1c(C(=O)N(C)[C@@H](C)C(C)(C)O)ccc2cnc(C3CC3)n12 1615537857 LRQGCJGMNOFTCI-LBPRGKRZSA-N 315.417 2.752 0 50 DFAA CNCc1nnc(N2CCC(CCc3ccccc3)CC2)o1 1772704332 HSMPALVWNOJUHL-UHFFFAOYSA-N 300.406 2.638 0 50 DFAA O=C(O)c1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1 5002545 YZPLNVKUQQGHJJ-UHFFFAOYSA-N 301.685 2.839 0 50 DFAA Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2N)cc1C 16650873 MPNQYPQIKPADAU-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA Cc1cc(Cl)ccc1O[C@H](C)c1ccnc2nc(N)nn12 1401843 UOXAJOLQNFRWKE-SECBINFHSA-N 303.753 2.808 0 50 DFAA Cc1ccc(C(=O)NC[C@H](C)NC(=O)c2ccc(C)cc2)cc1 2937541 SEHWWADZRBSEGI-HNNXBMFYSA-N 310.397 2.852 0 50 DFAA O=C(O)Cc1cccc(F)c1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875249927 KDJMMYUDZZNZKA-AWEZNQCLSA-N 313.328 2.723 0 50 DFAA COc1ccccc1[C@H]1CN(C(=O)c2cccs2)CCN1 328586275 NNHVQRWWWSRLGE-CYBMUJFWSA-N 302.399 2.543 0 50 DFAA O=C(c1ccccc1Cl)N1CCC[C@@H](n2ccnn2)CC1 636183717 VWVYTYYOKXNPJZ-GFCCVEGCSA-N 304.781 2.799 0 50 DFAA CC(C)(C)c1n[nH]c(CN2CCO[C@H](c3cccc(F)c3)C2)n1 331497355 BTDVBSCTTUGJKD-AWEZNQCLSA-N 318.396 2.815 0 50 DFAA CCC1(CNC(=O)c2ccc(C(F)(F)F)[nH]2)CCOCC1 450008892 IWSXEBNPWAFKIR-UHFFFAOYSA-N 304.312 2.970 0 50 DFAA CNc1nc(C)cc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)n1 253393881 LCTDNSBVNBXVBO-JTQLQIEISA-N 316.327 2.630 0 50 DFAA C[C@@H](C(=O)NCCc1cn(C)c2ncccc12)c1cccc(O)c1 828493073 UBZKHTYSGVFXGQ-CYBMUJFWSA-N 323.396 2.741 0 50 DFAA Cc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)nn1C 767899814 OGZPBIHOPDHRMN-QGZVFWFLSA-N 324.469 2.758 0 50 DFAA Cc1nc(C)n(Cc2cn([C@@H](C)c3ccc(F)cc3C)nn2)n1 899736215 XUGLFKNDUFHIAO-NSHDSACASA-N 314.368 2.592 0 50 DFAA c1ccc(-n2cc(-c3nn4c(C5CC5)nnc4s3)cn2)cc1 20738082 OHZGATLBPVMTGV-UHFFFAOYSA-N 308.370 2.916 0 50 DFAA O=C(c1ccc(F)cc1)N1CC(n2cc(-c3ccccc3)nn2)C1 238936340 VNUAMXUPYQCTOE-UHFFFAOYSA-N 322.343 2.781 0 50 DFAA COc1ccccc1/C=C(/C(=O)N1CC[C@H](N)C1)c1ccccc1 152366730 MDJROUSCBUHNBU-NAVNFMRLSA-N 322.408 2.795 0 50 DFAA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 316115 RLIJBWVCXQSTRL-UHFFFAOYSA-N 312.435 2.748 0 50 DFAA Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)cc1Cl 611587 WJMNLFMWXMZTDU-RYUDHWBXSA-N 317.838 2.755 0 50 DFAA O=C(COc1ccc(Cl)cc1CO)Nc1ccccc1F 1078389 JFZOABQPNYHHHW-UHFFFAOYSA-N 309.724 2.989 0 50 DFAA COC(=O)c1ccccc1CN1CC[C@H](C)[C@H](n2ccnc2)C1 246124531 KNJZWOBEKLFZMC-WMLDXEAASA-N 313.401 2.753 0 50 DFAA O=C1COc2cc(Br)c(Br)cc2N1 6505260 UJDVLQNTJQYDOB-UHFFFAOYSA-N 306.941 2.543 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)cc1C 7452544 JPBJHLQRAVWZBZ-AWEZNQCLSA-N 309.369 2.690 0 50 DFAA CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccncc1 8989755 GTWWSLOMGBIBKM-UHFFFAOYSA-N 321.380 2.894 0 50 DFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1ccc(F)c(F)c1 55403434 JYUCWEXPMDCGOE-AWEZNQCLSA-N 320.339 2.773 0 50 DFAA Cc1noc(CSCC(=O)Nc2ccnn2[C@@H](C)C(C)C)n1 55413566 XDBKQQOVWMOZDI-JTQLQIEISA-N 323.422 2.663 0 50 DFAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCOC2)c1 55183384 QBXVLYYGVLYKTD-LBPRGKRZSA-N 324.808 2.797 0 50 DFAA O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1 100307052 UXWHIYXCQLBODU-LBPRGKRZSA-N 300.745 2.857 0 50 DFAA CCC(=O)c1ccc(OCC(=O)N(C)[C@H](C)c2ccon2)cc1 55254215 KPPWVFYFVDMBJS-GFCCVEGCSA-N 316.357 2.866 0 50 DFAA CCc1ccc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)o1 11950993 CXPOHYWMQJLGJH-QZTJIDSGSA-N 306.450 2.653 0 50 DFAA O=C(N[C@@H]1CCCC[C@H]1n1cccn1)[C@@H]1COc2ccccc21 229370720 LKRIDFVEMHIGMU-BZUAXINKSA-N 311.385 2.659 0 50 DFAA COC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(C)C 141591 IZPIKZGZWCGUHW-LLVKDONJSA-N 303.280 2.633 0 50 DFAA NC1=N[C@H](c2ccc(F)c(F)c2F)n2c(nc3ccccc32)N1 39404033 HRIXTRCTTNROEW-ZDUSSCGKSA-N 317.274 2.741 0 50 DFAA 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CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)NC(=O)N1 4810611 OKNNAPXYNDHESS-AWEZNQCLSA-N 315.304 2.685 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 6726177 ZZTUZFOPKDIVJK-CQSZACIVSA-N 302.418 2.739 0 50 DFAA Cc1noc(C)c1CCCn1ccnc1-c1cnn2cccnc12 1857684325 IYSWSJYZCBMKMK-UHFFFAOYSA-N 322.372 2.830 0 50 DFAA CO[C@H]1COC[C@H]1n1ccnc1-c1coc(-c2ccccc2)n1 1857730801 XWKWSJZRHOBDOL-CABCVRRESA-N 311.341 2.791 0 50 DFAA COc1ccccc1-c1cc(C(=O)Nc2onc(C)c2C)n[nH]1 1875248846 SHECUXMAKUCLPJ-UHFFFAOYSA-N 312.329 2.942 0 50 DFAA O[C@@H](CC1CCCC1)CN1CC[C@H](c2nc(C3CC3)no2)C1 328946353 BDYZBOLSLVTXJL-GJZGRUSLSA-N 305.422 2.678 0 50 DFAA Cc1cc(CS(=O)(=O)N[C@@H](C)c2c(C)cccc2C)no1 330538760 WXUFIUFHZIJNEQ-ZDUSSCGKSA-N 308.403 2.780 0 50 DFAA C[C@H](C(=O)N1CCC(C(=O)O)CC1)c1cc2ccccc2o1 237403843 OQSSRMBTWAMCJD-NSHDSACASA-N 301.342 2.860 0 50 DFAA COc1ccccc1C1(CN[C@H]2CCCNC(=O)C2)CCCC1 585140302 BZRDQTJXSWOFKT-HNNXBMFYSA-N 316.445 2.765 0 50 DFAA N[C@@H]1CN(C(=O)Nc2ccc(C3CC3)cn2)C[C@H]1c1ccccc1 904547169 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COc1ccc(CCNC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1OC 247698246 UFGLZDPANGENTA-WIHIRCLASA-N 315.413 2.655 0 50 DFAA C[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H](C)n1cccn1 248231929 LAKHBYZGBHYYKB-VVLHAWIVSA-N 318.465 2.603 0 50 DFAA CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)C(C)C)CC1 10010422 ZERXKDZATNFCHH-UHFFFAOYSA-N 323.824 2.603 0 50 DFAA Cc1ccc(CN(C)Cc2cnc(N3CCOCC3)s2)o1 65375760 SHDYSHJUSSNFRQ-UHFFFAOYSA-N 307.419 2.513 0 50 DFAA CN(C)C(=O)c1cccc(CN2CCC(=O)Nc3ccccc32)c1 118846466 RGMMWEFQQQNTJG-UHFFFAOYSA-N 323.396 2.737 0 50 DFAA O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 229880691 YTJFBJJHVLSTAS-KZNAEPCWSA-N 308.381 2.865 0 50 DFAA COc1ccc(OCCCN2CC(n3nc(C)cc3C)C2)cc1 1506398396 BGBIHAHRZMRTCW-UHFFFAOYSA-N 315.417 2.834 0 50 DFAA O=C(Cc1cccc2cccnc12)N1CCCC[C@@H]1c1ncon1 122694289 URDLEVJEFQHTIJ-OAHLLOKOSA-N 322.368 2.914 0 50 DFAA CCN1CCC[C@@H](CCNC(=O)c2c(C)[nH]c(C(C)=O)c2C)C1 67654760 DCLQBBSVZCIAEX-HNNXBMFYSA-N 319.449 2.686 0 50 DFAA OCc1cn([C@H]2CCCN(CCC3CCCCCC3)C2)nn1 329151751 BAAPRXZUDQZHOX-KRWDZBQOSA-N 306.454 2.768 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccsc1 32092235 UOJNCNSEHQXMAX-CQSZACIVSA-N 307.758 2.814 0 50 DFAA COC[C@@H](NC(=O)c1cc2ccccc2s1)c1ccnn1C 67447316 KMIQWBIWONHINR-GFCCVEGCSA-N 315.398 2.752 0 50 DFAA COc1ccc([C@H](C)Nc2nccnc2N(C)C)cc1OC 302206328 WKPGBXWIMAZRJN-NSHDSACASA-N 302.378 2.733 0 50 DFAA COc1ccc(F)c(F)c1CN1CCC[C@@H]1c1n[nH]c(C)n1 216060480 BJFAGZKBYPGGGF-GFCCVEGCSA-N 308.332 2.737 0 50 DFAA c1cc2c(cc1N1CCC(N[C@H]3C[C@@H]4OCC[C@H]34)CC1)CCC2 219250912 DJBNNZMBFFBRTF-AABGKKOBSA-N 312.457 2.911 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(NC[C@H](C)O)nc2)n1 72429237 MWRXMUYNWMYCDR-LBPRGKRZSA-N 310.357 2.900 0 50 DFAA CCCc1ncc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)s1 236976166 UYRIDWWVEXESQO-WOPDTQHZSA-N 322.430 2.954 0 50 DFAA COCc1ncsc1C(=O)N1CCCc2cccc(O)c21 285826484 ZRRMVCDVTWCFDV-UHFFFAOYSA-N 304.371 2.588 0 50 DFAA O[C@]1(C(F)(F)F)CCCN(Cc2cnc(C3CC3)nc2)CC1 459547876 OYQMBXHMBDHZMA-CQSZACIVSA-N 315.339 2.633 0 50 DFAA C[C@@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)N(C)C 77438209 UIRSFUZJAIJTJZ-ZDUSSCGKSA-N 300.406 2.903 0 50 DFAA COc1cccc(OC2CN(C(=O)CCC(F)(F)F)C2)c1 220007492 ZHSZYUAISQLLOE-UHFFFAOYSA-N 303.280 2.627 0 50 DFAA CCc1cc(C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cs1 17031279 MWUDZGVJVJLIDQ-NSHDSACASA-N 306.309 2.783 0 50 DFAA CCc1ncsc1C(=O)Nc1cccc(CCC(=O)O)c1 263459478 VIURKYQNDSFBKM-UHFFFAOYSA-N 304.371 2.975 0 50 DFAA CC[C@H](C(=O)O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 263559197 ASMLKDRZRUUIBX-UONOGXRCSA-N 314.389 2.514 0 50 DFAA O=C(NCCCSc1ccccc1)c1cn2cccnc2n1 47520914 XBDMLBAZNQUCTE-UHFFFAOYSA-N 312.398 2.642 0 50 DFAA CSc1ccc(CNc2cc([C@@H]3CCOC3)ncn2)cc1 426434392 AINWJKPSDNNJSE-CYBMUJFWSA-N 301.415 3.315 0 50 DFAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1c1cn[nH]c1 615902681 HDFNELIFJGMETJ-QGZVFWFLSA-N 321.384 2.881 0 50 DFAA Cc1nn(C)c(C(=O)N[C@H]2CCc3ccccc3C2)c1Cl 426689014 ASOFZBLHTCILBW-ZDUSSCGKSA-N 303.793 2.669 0 50 DFAA Cc1c(Cl)cc(C(=O)N(C)C[C@H]2COCCO2)cc1Cl 91846710 TXPOVIVYMLTRIM-NSHDSACASA-N 318.200 2.789 0 50 DFAA CC[C@@](C)(CCNC(=O)N1CCOCC1)c1ccccc1OC 426497056 BEEMJWOVRZMQEP-SFHVURJKSA-N 320.433 2.795 0 50 DFAA O=C(NCCCOC1CCCCC1)Nc1cccc2[nH]nnc12 97773206 GMPOBWWDTFPXCF-UHFFFAOYSA-N 317.393 2.819 0 50 DFAA Cc1[nH]nc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)c1C 293936616 NJJWEESUKVYAAR-QMMMGPOBSA-N 304.297 2.516 0 50 DFAA Cc1nc(N[C@H](CC(C)C)c2ncnn2C)c2c(C)noc2n1 95360602 JFRCEJYNRVKBGU-LLVKDONJSA-N 315.381 2.562 0 50 DFAA CN(CCn1ccc2ccccc21)C(=O)CCCc1cn[nH]c1 97480029 ZVDAKRKLRBIXAK-UHFFFAOYSA-N 310.401 2.846 0 50 DFAA Cc1cccc(=O)n1CCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 97784784 JKBGDAYPYSDBTP-DNVCBOLYSA-N 316.445 2.974 0 50 DFAA Cc1ncsc1CCC(=O)N1CCC[C@@]2(CCCO2)CC1 97602193 GNMKWQAOPIQLHB-MRXNPFEDSA-N 308.447 2.946 0 50 DFAA O=C(CSc1ccccn1)N[C@@H]1COC2(CCCCC2)C1 244708045 KMNXMDNQYCRMSG-ZDUSSCGKSA-N 306.431 2.782 0 50 DFAA C[C@H](NC(=O)c1ccc(=O)oc1)[C@@H]1[C@H]2CC[C@@H]3C[C@@H](C2)C[C@H]31 245310657 JKUIUOHKHIBIIS-MOSZYBRKSA-N 301.386 2.830 0 50 DFAA O=C(Nc1ccn2ccnc2c1)N1C[C@]2(CCCO2)[C@H]1C1CC1 297260745 XYUVQJQERUNHSI-NVXWUHKLSA-N 312.373 2.510 0 50 DFAA COc1ccc([C@@H](NC(=O)NCC2CC=CC2)C2CC2)cn1 624542568 PHTSQNGAMRMIHN-INIZCTEOSA-N 301.390 2.807 0 50 DFAA COCC1(CNC(=O)N2CCCC[C@@H]2c2nccs2)CC1 534659735 JYTKTLVNKQWBPP-GFCCVEGCSA-N 309.435 2.806 0 50 DFAA CC[C@](C)(CCNC(=O)C1(C)COC1)c1ccccc1OC 534576734 PQPKOYGCYIUIRL-QGZVFWFLSA-N 305.418 2.906 0 50 DFAA Cc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C(=O)O)C1CC1 534649940 NJBSVONDIJFVNC-NSHDSACASA-N 301.264 2.607 0 50 DFAA CCN(C(=O)NCCCc1ccccc1F)C1CCOCC1 534586366 SVJGFSPQRDBSCO-UHFFFAOYSA-N 308.397 2.969 0 50 DFAA Cc1ncsc1CCN(C)C(=O)Nc1ccc2c(c1)OCO2 827883309 IBSJPGQWGDLLIH-UHFFFAOYSA-N 319.386 2.887 0 50 DFAA CCn1c(C)cc2cc(NC(=O)[C@H](C)N3CCCC3=O)ccc21 823582585 LKNDHKWRLVQGGN-ZDUSSCGKSA-N 313.401 2.919 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 269171715 HVEMAMOGEOXFKD-QGZVFWFLSA-N 309.365 2.829 0 50 DFAA CN1CCCCC[C@H]1c1nc(-c2ccccc2)nn1CCCO 670472675 QZRBIJUXCZPNND-INIZCTEOSA-N 314.433 2.874 0 50 DFAA Cn1nccc1CN1CCC(c2nc3ccccc3n2C)CC1 670436526 DXKXXJIKJWQYTR-UHFFFAOYSA-N 309.417 2.686 0 50 DFAA COCCN1CC[C@H](CNC(=O)c2csc3ccccc23)C1 670440559 HHPXEUKBJUIPIJ-CYBMUJFWSA-N 318.442 2.599 0 50 DFAA C[C@H](O)c1nc2ccc(NC(=O)c3ccc4c(c3)CCO4)cc2[nH]1 952974387 INSNATCZGGWSNO-JTQLQIEISA-N 323.352 2.803 0 50 DFAA O=C(N[C@@H]1CCC[C@@H](OC(F)F)C1)c1cnnc2ccccc12 888092976 UDEZCPNFSXUOBC-GHMZBOCLSA-N 321.327 2.910 0 50 DFAA Cc1nc2ccccc2nc1N1CCC[C@@H]1c1ccc(N)nn1 1775959561 GOKCQGUMZUFBCD-OAHLLOKOSA-N 306.373 2.652 0 50 DFAA Cc1cc(C)cc(CN[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c1 1774204476 KICOUUJXEPGEJM-UPTPFMHGSA-N 303.402 2.805 0 50 DFAA CCc1c(C)cc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(=O)n1C 1565507210 MAFPQOWAMKDFIP-ZBFHGGJFSA-N 310.397 2.542 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(F)c(COC)c1 277130718 BFBOWNPGPZCDKN-GOEBONIOSA-N 309.381 2.794 0 50 DFAA CCc1nc(N)cc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 170598802 IAEWXORVGDMLFQ-UHFFFAOYSA-N 322.416 2.882 0 50 DFAA CCCC1CCC(N(C)S(=O)(=O)NCC(F)(F)F)CC1 170620368 XTTAXOSSTXGDFK-UHFFFAOYSA-N 316.389 2.674 0 50 DFAA CCCn1ccc(CNC(=O)c2cccc(C[S@@](C)=O)c2)c1 170614361 ZRNKIUMIGVQJLR-JOCHJYFZSA-N 318.442 2.707 0 50 DFAA COC(=O)c1cc(Cl)cc(NCc2cn3cccnc3n2)c1 170667670 JFTBPDGAIMZMEQ-UHFFFAOYSA-N 316.748 2.781 0 50 DFAA O=C(N[C@@H]1CCOc2ccccc21)c1nn[nH]c1-c1ccccc1 188878219 MPYOJSKJILREIP-CQSZACIVSA-N 320.352 2.725 0 50 DFAA CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2cnns2)C1 192362741 PEPPJAHEARBXLW-NSHDSACASA-N 311.455 2.560 0 50 DFAA Cc1nnc(CN(C)Cc2cccc(C(=O)O)c2Cl)s1 659805073 KZFPPJUDTUBQAV-UHFFFAOYSA-N 311.794 2.830 0 50 DFAA COCCN(C(=O)c1ccc(C(=O)O)cc1)[C@@H]1CC[C@H](C)C1 668300481 OGINONRRZHRDRA-SWLSCSKDSA-N 305.374 2.662 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc2ncccn2n1 1506401105 BYHITYFAXMCPNU-UHFFFAOYSA-N 323.331 2.622 0 50 DFAA Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 118403464 PNTNLXBVYHOZQI-CQSZACIVSA-N 315.327 2.931 0 50 DFAA CCOc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(C)o1 1615586538 OKXRFQLTJMRHAC-UHFFFAOYSA-N 323.370 2.643 0 50 DFAA O=C(CCn1c(=O)oc2ccccc21)N1CCc2ccccc21 4101725 FCUWSFPNYNCXPJ-UHFFFAOYSA-N 308.337 2.574 0 50 DFAA Cc1ccc(C2(O)CCN(Cc3ccn4nccc4c3)CC2)nc1 1775979199 YQBGZPZYNFTFNG-UHFFFAOYSA-N 322.412 2.521 0 50 DFAA Cc1cccn2ncc(C(=O)NCCCC[C@H]3CCCO3)c12 1772711467 UNEUGVRBPVDJGX-AWEZNQCLSA-N 301.390 2.722 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](CC)c2ccccc2)C1 5663326 BTVNYNOTJHDXSS-CVEARBPZSA-N 303.402 2.982 0 50 DFAA COc1ccc([C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 5721747 XMIULYVRDUZRCB-GXFFZTMASA-N 309.362 2.777 0 50 DFAA COC(=O)CC[C@H](C)N1CCc2[nH]nc(-c3ccccc3)c2C1 12314040 LUNYMBJEXAPOPO-ZDUSSCGKSA-N 313.401 2.777 0 50 DFAA COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1 4746841 GMRWKOYTLNXLAA-LLVKDONJSA-N 316.382 2.988 0 50 DFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)N1CC[C@H]2CC[C@H](O)[C@H]21 1857530308 SOQYFYOKMBKZSJ-SWRJLBSHSA-N 321.804 2.673 0 50 DFAA COC(=O)[C@H](C)c1ccc(NC(=O)c2nc(C)oc2C)cc1 408520962 CYZZYFVPJGGPCT-SECBINFHSA-N 302.330 2.820 0 50 DFAA CC(C)[C@@]1(CO)CCCN(Cc2cnn(C)c2C(F)(F)F)C1 339699538 AEWXJMAQTUQESW-AWEZNQCLSA-N 319.371 2.669 0 50 DFAA CCOc1cc(C)ccc1CNC(=O)c1cnn2ccc(C)nc12 151143399 GJLJQRFBSMJWII-UHFFFAOYSA-N 324.384 2.675 0 50 DFAA NCCC[C@@H](NC(=O)c1ccc2c[nH]nc2c1)c1ccccc1 391759122 HDHYYZFPRYWBBX-MRXNPFEDSA-N 308.385 2.773 0 50 DFAA O=C(O)Cc1cccc(C(=O)N[C@@H]2CCOC23CCCCC3)c1 907898635 LVAHATVTWSHMHB-OAHLLOKOSA-N 317.385 2.535 0 50 DFAA c1ccc(CN2CCC3(CCN([C@@H]4CCOC4)CC3)C2)cc1 375674162 SEVFXFFBWUWXKU-GOSISDBHSA-N 300.446 2.763 0 50 DFAA O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1nccs1 203071 CKKLEHAGLBGRPV-JTQLQIEISA-N 306.774 2.919 0 50 DFAA C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)c1ccc(C(=O)O)cn1 2325746276 IAAUMXAWUUOSOH-GXFFZTMASA-N 316.382 2.860 0 50 DFAA CC(=O)Nc1cccc(CC(=O)Nc2noc3c2CCCC3)c1 900787359 YIFGFRPGARYRST-UHFFFAOYSA-N 313.357 2.693 0 50 DFAA COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(O)c1 58167 YAGDAEMMGAKBIV-UHFFFAOYSA-N 302.326 2.843 0 50 DFAA O=C(C1CC1)n1cc(C(=S)N2CCOCC2)c2ccccc21 316411 VRCFYGKGMHDYLI-UHFFFAOYSA-N 314.410 2.699 0 50 DFAA O=C1N[C@H](c2cc3c(cc2Cl)OCO3)Oc2ccccc21 2219297 GJAVPKOQKOOIPD-HNNXBMFYSA-N 303.701 2.890 0 50 DFAA CCOc1cc(C=O)ccc1OCC(=O)N1CCC(C)CC1 6701131 XWCFMVBJKNQCEN-UHFFFAOYSA-N 305.374 2.535 0 50 DFAA CC(C)c1cc(N2CCN(CCc3ccccc3)CC2)ncn1 346629207 SEZLYPBRFAXPLS-UHFFFAOYSA-N 310.445 2.965 0 50 DFAA CC(C)Cn1ncc(C(=O)N[C@@H](CN)C2CCCC2)c1C1CC1 423936667 CVGXMMRURVMMLG-INIZCTEOSA-N 318.465 2.664 0 50 DFAA CCn1ncnc1CNC(=O)N[C@H](C)c1ccc(Cl)cc1 353177628 HRMLUTDHRWWQKB-SNVBAGLBSA-N 307.785 2.512 0 50 DFAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)cc1F 252452301 BBPXYAVJJFMBEZ-FZZIBODNSA-N 323.343 2.615 0 50 DFAA CC1=C(C(=O)N(Cc2ccsc2)CC(C)C)[C@@H](C)NC(=O)N1 67817785 FADRVEOKRCAILQ-LLVKDONJSA-N 321.446 2.708 0 50 DFAA C[C@H]1CN(Cc2ncc(C(C)(C)C)s2)C[C@@H]1N1CCOCC1 253429736 UPUQBVKEKSCTFK-KBPBESRZSA-N 323.506 2.593 0 50 DFAA O=C(NCCc1cccc(Oc2ccccc2)c1)[C@H]1CCCN1 216269858 LDQGNLXACHCDDN-GOSISDBHSA-N 310.397 2.890 0 50 DFAA C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1cnn(C)c1 72473007 VOCZIKIQWXMFQG-ZDUSSCGKSA-N 315.417 2.615 0 50 DFAA CC(C)c1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)no1 124529373 QUQOKMTVDKYBEV-CJNGLKHVSA-N 317.433 2.887 0 50 DFAA O=C(NCCn1cncn1)c1cccc(-c2ccc(F)cc2)c1 219138871 MUWDSMQRCQOLLL-UHFFFAOYSA-N 310.332 2.514 0 50 DFAA CN(Cc1c[nH]nc1-c1ccccc1)C(=O)COc1cccnc1 71708143 XANVNDDTSZZOSR-UHFFFAOYSA-N 322.368 2.509 0 50 DFAA Cc1noc(CN(C)Cc2ccc(CCC(C)(C)O)cc2)n1 72454442 SCVAATJFWJVJFI-UHFFFAOYSA-N 303.406 2.714 0 50 DFAA O=C(Nc1ccc2c(n1)CCC2)N1C[C@@H](O)C[C@@H]1c1ccccc1 333912425 FKPWHUXBCOMYJF-DOTOQJQBSA-N 323.396 2.910 0 50 DFAA Cc1noc(C)c1C[C@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)O 237512062 MQJQVCYHZAFNFR-SMDDNHRTSA-N 322.405 2.716 0 50 DFAA O=C(Cc1cc(F)cc(F)c1)N1CCC[C@H](c2ncc[nH]2)C1 77358101 WETCIXHYRLTDQO-LBPRGKRZSA-N 305.328 2.637 0 50 DFAA O=C(NCCc1ccncc1)N[C@@H]1COc2cccc(Cl)c21 378121805 XNTFVCYVTCHEMH-CYBMUJFWSA-N 317.776 2.710 0 50 DFAA CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1noc(C2CCC2)n1 495672534 KHGTUMVKDXOUBW-LBPRGKRZSA-N 322.409 2.561 0 50 DFAA Cc1cc(N[C@H](C)c2nc(-c3cccnc3)no2)n2nccc2n1 72453971 LJWYCRFQFJPPOX-LLVKDONJSA-N 321.344 2.656 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2c(C)coc2C)c1 284947439 JABVMEJPFGMDBE-ZBFHGGJFSA-N 315.369 2.853 0 50 DFAA COC[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 14970196 GIXTUKBSTNHLQE-LLVKDONJSA-N 307.781 2.858 0 50 DFAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H](CN)C2)c1 178577449 VHIMTTGODPIVRU-HUUCEWRRSA-N 304.434 2.693 0 50 DFAA CCc1ccc(CN(C)c2cc([C@H]3CCOC3)nc(C)n2)nc1 426719903 LVQGYLAXXFILPO-HNNXBMFYSA-N 312.417 2.883 0 50 DFAA CCc1nc(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)cs1 179200475 WKTAGKXJRYWSIB-KRWDZBQOSA-N 314.410 2.922 0 50 DFAA COCC1(NC(=O)c2ccc([C@@H]3CCCNC3)cc2)CCCC1 95365463 CDXIDTOTXYYPBI-QGZVFWFLSA-N 316.445 2.843 0 50 DFAA Cn1nccc1CCC(=O)N[C@H](c1ccccc1)c1ccco1 97546557 AZXKCNUQXTVLQQ-GOSISDBHSA-N 309.369 2.852 0 50 DFAA CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc2nncn2c1 180695675 QCNOFMOURNHFNS-CQSZACIVSA-N 302.378 2.796 0 50 DFAA CS[C@H](C)Cc1cn(CCn2nc(C)c(Cl)c2C)nn1 91364891 VASUWXFEMIIOBR-SECBINFHSA-N 313.858 2.739 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2[C@H](O)N1c1ccc(Br)cc1 243932708 BYHFUTIYFNBRMP-HWLKSRQQSA-N 320.186 2.552 0 50 DFAA C[C@@H](NCc1cc[nH]n1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 182641231 FBXMKIROBWYPPU-OCCSQVGLSA-N 308.426 2.677 0 50 DFAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCOCC1 299001680 OXJAYYUEICOCKG-UHFFFAOYSA-N 317.364 2.537 0 50 DFAA Cc1cc(Cl)cc2c(NC[C@H]3CN(C)CCO3)ccnc12 534651151 OQLZQDHEBHPWQW-ZDUSSCGKSA-N 305.809 2.939 0 50 DFAA CCc1ccc(O[C@@H](C)c2nnc(NC(=O)COC)s2)cc1 1940197960 DQLHXHMBKYOOPW-JTQLQIEISA-N 321.402 2.825 0 50 DFAA CC1(CNC(=O)c2ccc(N3CCCC3)c(Cl)c2)COC1 828152501 GXWZVKVYPWFDPX-UHFFFAOYSA-N 308.809 2.707 0 50 DFAA Cc1nc(N2CCC(O)(c3ccccn3)CC2)nc2c1CCCC2 670459605 OLTJUCSMHAFTMD-UHFFFAOYSA-N 324.428 2.547 0 50 DFAA C[C@H](Nc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCC1 1875256129 WIMUCXIASBIURP-VIFPVBQESA-N 301.312 2.960 0 50 DFAA Cc1cc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)ccc1F 1875289813 QYLGRDQPXQDIHX-MNOVXSKESA-N 317.364 2.809 0 50 DFAA c1cc(-c2nnc3n2CCCC3)ccc1OC[C@@H]1C[N@@]1C1CCC1 1875380210 IPIVQZGYASLNKD-HJPURHCSSA-N 324.428 2.897 0 50 DFAA CCOc1ccc(CN[C@H]2COc3c(cccc3OC)C2)cn1 952990085 FXOPYVAZLVBIJO-OAHLLOKOSA-N 314.385 2.582 0 50 DFAA COc1ccc(CCN[C@@H]2CCC(=O)N(CC3CC3)CC2)cc1 952974152 IWLNXCKESPFIBB-QGZVFWFLSA-N 316.445 2.618 0 50 DFAA CC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)c1ccc(O)cc1 952973469 OCYJCTQUOIHCQJ-QGZVFWFLSA-N 315.417 2.943 0 50 DFAA c1cnc2c(c1)CCC[C@H]2n1cc(CO[C@H]2CCCCO2)nn1 887424929 JUHHJSWYSQBLKA-CVEARBPZSA-N 314.389 2.642 0 50 DFAA CCc1oc2ccccc2c1C(=O)N1CC[C@@H](C(=O)N(C)C)C1 1412176130 COUKQXRKCRUYMG-GFCCVEGCSA-N 314.385 2.546 0 50 DFAA O=C(Cc1cnccc1C(F)(F)F)N1C[C@@H]2C[C@]2(C(F)F)C1 1776008229 WDGFGVPYXDCIDX-ZANVPECISA-N 320.261 2.757 0 50 DFAA Cn1c(SCC[C@@H]2COC(C)(C)O2)nnc1-c1cccnc1 408522209 FMHJFPNRKQGDQY-GFCCVEGCSA-N 320.418 2.511 0 50 DFAA CN1Cc2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2NC1=O 186156060 BLFISWJAXRHCIS-UHFFFAOYSA-N 321.340 2.793 0 50 DFAA O=C(NCc1ccsc1)N[C@H]1CCCO[C@@H]1c1ccncc1 275408717 SOBZRPSONNXGHP-LSDHHAIUSA-N 317.414 2.863 0 50 DFAA Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2cc(O)n(C)n2)c1 634364426 REDXSKYDQUAOKG-GOSISDBHSA-N 313.401 2.672 0 50 DFAA O=C1Cc2ccc(C(=O)Nc3ccc(-n4cccn4)cc3)cc2N1 187676517 UCOMDLAYEMIPCE-UHFFFAOYSA-N 318.336 2.619 0 50 DFAA CC(C)(C)c1cc(CN2C(=O)c3ccc(F)cc3C2=O)no1 278688574 ZEPNKIHRXHDGLC-UHFFFAOYSA-N 302.305 2.907 0 50 DFAA Cc1ccc(CN2C(=O)[C@H]3CCCN3C2=O)c(OCC2CC2)c1 170592701 MSNBHUWBZIAQQH-OAHLLOKOSA-N 314.385 2.710 0 50 DFAA Cc1cc(NCc2ccc(OCC3CC3)cc2)n(CCO)n1 190932992 FHJVZUSUSBLPEU-UHFFFAOYSA-N 301.390 2.585 0 50 DFAA O=C(c1cc2occc2s1)N1CCC[C@H]([C@@H]2CCNC2)C1 646385481 SDDLXJVWZBLDTQ-NEPJUHHUSA-N 304.415 2.956 0 50 DFAA COc1ccccc1-c1ncc(CN[C@@H]2CCOC2(C)C)cn1 648688314 GZKALIKFTMRNSG-MRXNPFEDSA-N 313.401 2.809 0 50 DFAA CN(C)[C@H](CNC(=O)Nc1ncccc1F)c1ccccc1 193915664 GQFHPVXYEGQQCL-CQSZACIVSA-N 302.353 2.645 0 50 DFAA O=C(c1cccn1Cc1cccs1)N1CCN2CCC[C@@H]2C1 195336608 NVEGHARNQORBKH-CQSZACIVSA-N 315.442 2.518 0 50 DFAA CC(C)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)CF 654831422 TZQHYOVXSGNCEV-LBPRGKRZSA-N 310.369 2.524 0 50 DFAA COCCN(C(=O)c1ccc(C(=O)O)cc1)[C@H]1CC[C@@H](C)C1 668300479 OGINONRRZHRDRA-DOMZBBRYSA-N 305.374 2.662 0 50 DFAA CC(C)Sc1nnc(NC(=O)CN2CCCCCC2)s1 1506423451 DXZQXLBRCRCFSO-UHFFFAOYSA-N 314.480 2.853 0 50 DFAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@H]1c1cccnc1 1506419409 BQJCLVQAZCJFDW-SFHVURJKSA-N 324.428 2.980 0 50 DFAA CSc1ccccc1NC(=O)CN(C)c1nnc(C)s1 225592429 CRDSFFMMNWSXPM-UHFFFAOYSA-N 308.432 2.643 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCCc1cn[nH]c1)C2 1704311575 CIZBXKGTQBFDRC-WBVHZDCISA-N 305.422 2.540 0 50 DFAA O=C(Nc1cccc(F)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 443643 FTTSMOKJWBQALQ-NSHDSACASA-N 316.307 2.956 0 50 DFAA Cc1ncc(Cl)c(NCCOc2cccc(C(=O)O)c2)n1 1772700958 HFJHSWALXYIFNQ-UHFFFAOYSA-N 307.737 2.628 0 50 DFAA COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 5732241 IHFBPDAQLQOCBX-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA biogenic,in-vivo CN(Cc1nc(Cc2ccccc2F)no1)C[C@@H]1CCCCO1 12075818 KGLLORHMBUMGMV-AWEZNQCLSA-N 319.380 2.800 0 50 DFAA CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccs1)C3 12653197 DNZBZTRFWBUNER-QMMMGPOBSA-N 316.411 2.820 0 50 DFAA CCCOc1ccc(Cc2c(O)nc(SC)nc2O)cc1 13590240 KMDKAFLVSNAEAE-UHFFFAOYSA-N 306.387 2.989 0 50 DFAA COc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2)c1 13675422 MDECSNVBFNJDOU-UHFFFAOYSA-N 323.389 2.745 0 50 DFAA Cc1cc(C(=O)NCc2ccc(F)cc2)c2c(C)nn(C)c2n1 14815115 VZOUQYXEKWYIBP-UHFFFAOYSA-N 312.348 2.654 0 50 DFAA COc1cccc(C=O)c1OCCCCN1C[C@H](C)O[C@H](C)C1 16488407 DBSGTOAWDDXOKI-GASCZTMLSA-N 321.417 2.776 0 50 DFAA O=C(N/C(=C\c1ccco1)C(=O)N1CCCC1)c1cccs1 2266626 PWTGIJPJCGHWIT-QBFSEMIESA-N 316.382 2.734 0 50 DFAA COc1ccc(NC(=O)COc2ccccc2OC)c(OC)c1 2651299 ZGFLCBUAAAGWLF-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA CC(=O)[C@@H](O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5167101 BPZSPAZBZFZZBN-NVXWUHKLSA-N 324.332 2.580 0 50 DFAA in-vitro O=C(O)CCc1cccc(-c2ccc([C@H]3CNC(=O)C3)cc2)c1 1875244621 WJFWUDDNFLJKCJ-QGZVFWFLSA-N 309.365 2.974 0 50 DFAA Cc1cc(C)c2cc(C(=O)N3CCC[C@H]3c3nncn3C)[nH]c2c1 120819702 UFUUYPCVCUVOLU-INIZCTEOSA-N 323.400 2.891 0 50 DFAA CCc1oc(C(=O)N(C)C[C@H]2CCc3nccn3C2)cc1C 328644367 ZEYDBHIZGKUOHR-CYBMUJFWSA-N 301.390 2.682 0 50 DFAA CC(C)c1noc([C@H](C)N(C)C[C@@H]2CCc3nccn3C2)n1 328631000 KAPLXANFTZFSRG-STQMWFEESA-N 303.410 2.645 0 50 DFAA C[C@@H]1COc2ccccc2CN1Cc1cn(C(C)(C)C)nn1 241135438 JPIQDJSLIGUHPV-CYBMUJFWSA-N 300.406 2.816 0 50 DFAA O=C(c1cccc2[nH]ccc12)N(C[C@H]1CCCO1)c1ccnnc1 906081514 HFWZWFPRYXELHE-CQSZACIVSA-N 322.368 2.784 0 50 DFAA C[C@@H]1C[C@H](NCc2nccs2)CN(C(=O)OC(C)(C)C)C1 401715370 GYJGGVQDVKBQNG-NEPJUHHUSA-N 311.451 2.878 0 50 DFAA COC(=O)c1cccc2c(CN3CCc4nc(C)[nH]c4C3)c[nH]c12 2325808307 OQOJOUIOROEGTI-UHFFFAOYSA-N 324.384 2.544 0 50 DFAA N[C@H]1CCc2cc(C(=O)N3C[C@@H](C(F)F)C4(CC4)C3)ccc2C1 2325808655 RJAXDANJOQLEAA-GJZGRUSLSA-N 320.383 2.620 0 50 DFAA COc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1O 187593 YBULROUUVZPJIH-GOSISDBHSA-N 315.369 2.653 0 50 DFAA CN(C)CCCOc1ccccc1I 2823472 VXTZVFSHSKQUNH-UHFFFAOYSA-N 305.159 2.622 0 50 DFAA COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccccc1 2852248 KSRMUAKQYVDUCZ-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA COCCCNCCOc1ccc(Br)cc1C 3003286 RQDMADYMJUSYAE-UHFFFAOYSA-N 302.212 2.762 0 50 DFAA COCCNC(=O)CSc1cc(C)c2cccc(C)c2n1 3381800 DHBCECUXJHADRW-UHFFFAOYSA-N 304.415 2.706 0 50 DFAA CC[C@H](C)N(Cc1cccc(Cl)c1)C(=O)c1c[nH]c(=O)[nH]1 55118886 TVWGGMMSXSTMCJ-JTQLQIEISA-N 307.781 2.797 0 50 DFAA C[C@H](NC(=O)CSCc1ccccc1Cl)c1nncn1C 55402926 FLTHAVKITZXMRG-JTQLQIEISA-N 324.837 2.579 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 134561074 NGNZYPSEFIQGNN-ZIAGYGMSSA-N 314.414 2.849 0 50 DFAA Cc1cccc(N(C)C(=O)c2cccc(Cn3ccnc3)c2)n1 346256544 UWFBZHRKEFYFGA-UHFFFAOYSA-N 306.369 2.911 0 50 DFAA COc1ccc([C@H](c2ccc(F)cc2)N2CCNCC2)cc1 22121136 GLVBLLWAMLAJTR-SFHVURJKSA-N 300.377 2.829 0 50 DFAA C[C@H](C(=O)N1CCCC1)N1CCO[C@@H](c2ccccc2Cl)C1 229575667 LJMHGYHIDLXHAP-CZUORRHYSA-N 322.836 2.724 0 50 DFAA O=C(CCN1CCO[C@@H]2CCCC[C@H]21)N1CCc2ccccc21 230136054 ICCDHXUPESLVLR-QZTJIDSGSA-N 314.429 2.609 0 50 DFAA COCC(C)(C)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 121231508 YJSRSKVRSINTLN-CYBMUJFWSA-N 306.406 2.523 0 50 DFAA COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(C(=O)O)c1 427696182 PEPNHLCSWIKAKA-UHFFFAOYSA-N 320.732 2.832 0 50 DFAA Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(F)cn3)C2)c1 123378546 YBOYNHNHNHUSQJ-ZDUSSCGKSA-N 303.341 2.595 0 50 DFAA CCn1nccc1CNC(=O)c1cc(-c2ccc(C)cc2)on1 2798466 CMIHYPIPKBOMJO-UHFFFAOYSA-N 310.357 2.796 0 50 DFAA Cc1ccc2nc(N3CCOCC3)c(-c3noc(C)n3)cc2c1 33318178 LZVIDVCBDQTXSU-UHFFFAOYSA-N 310.357 2.738 0 50 DFAA COC(=O)c1cc(C)sc1NC(=S)NCc1ccco1 6825606 RMLMQAPLGROHDD-UHFFFAOYSA-N 310.400 2.923 0 50 DFAA Cc1nc[nH]c1-c1nccn1Cc1cccc(-n2cccn2)c1 71756947 RKTWUIQZPRINDS-UHFFFAOYSA-N 304.357 2.816 0 50 DFAA Cn1cc(C[C@H]2CCN(C(=O)Nc3cc(F)cc(F)c3)C2)cn1 363327006 HOTRZWVDUBNYMA-LLVKDONJSA-N 320.343 2.795 0 50 DFAA CNC(=O)c1cc2cc(NC(=O)[C@@H]3CCC(F)(F)C3)ccc2[nH]1 360312226 ZOCKNPXLWIIUBT-SECBINFHSA-N 321.327 2.901 0 50 DFAA COc1ccc([C@H](O)CNC2CCC3(CCCO3)CC2)cc1 364802609 QHXXDLMGSGOYEG-IIIMJFFVSA-N 305.418 2.810 0 50 DFAA CCc1nccn1[C@H]1CCCN(C(=O)NCCc2ccco2)C1 605947057 QBPCSSCXUSINDI-AWEZNQCLSA-N 316.405 2.628 0 50 DFAA Cc1cccc(COc2cccc(C(=O)N3CC[C@@H](N)C3)c2)c1 237653580 XXFGFQLMIXNRCE-QGZVFWFLSA-N 310.397 2.747 0 50 DFAA C[C@@H]1CNC[C@H]1C(=O)NCc1ccccc1OCc1ccccc1 261728425 NYXZMPYNKSNAJI-CRAIPNDOSA-N 324.424 2.737 0 50 DFAA CCc1ccc(C(=O)N[C@H](C)c2nncn2C2CCCC2)[nH]1 219248020 XPEWHAVSUYNGJL-LLVKDONJSA-N 301.394 2.775 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)cs1 263402292 GVVLZBKATNDOJN-ZDUSSCGKSA-N 316.382 2.889 0 50 DFAA COCCc1nsc(NC[C@H](C)N(C)c2ccccc2)n1 176797731 MYBYJNNSVBOPNV-LBPRGKRZSA-N 306.435 2.664 0 50 DFAA C[C@H]1CC(=O)c2cc(C(=O)Nc3ccccc3F)c(=O)[nH]c2C1 49547591 DKNJOXQSPXBRJK-SECBINFHSA-N 314.316 2.531 0 50 DFAA Cc1ccc2[nH]c(CCCNC(=O)[C@H](O)CC(C)C)nc2c1C 222424920 XUKJMELGTAWWSM-OAHLLOKOSA-N 317.433 2.636 0 50 DFAA Cc1ccc2cc(C(=O)NCCc3cccc(O)n3)n(C)c2c1 426428240 GFDACELCEXMWQY-UHFFFAOYSA-N 309.369 2.560 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)NCC(C)(C)CN(C)C)c1 426433535 DEBUMOJOVLXUSF-OAHLLOKOSA-N 320.481 2.550 0 50 DFAA Cc1cc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)no1 91595979 UHXAJBRDHFKCNP-UHFFFAOYSA-N 324.319 2.615 0 50 DFAA COc1ccccc1CC1CCN(C(=O)[C@@H]2CC[C@H](N)C2)CC1 237143877 BFROAYOACGMQAT-SJORKVTESA-N 316.445 2.604 0 50 DFAA CCCn1ncc(C(=O)NCCCc2ccc(OC)cc2)c1C 91807866 REDPBXWQSIFTQN-UHFFFAOYSA-N 315.417 2.973 0 50 DFAA Cc1ccc(CN(Cc2ccncc2)C(=O)CNC2CC2)s1 97474866 YEUNWNAGJOXVPD-UHFFFAOYSA-N 315.442 2.732 0 50 DFAA Cc1nc2ccccc2nc1CN(C)Cc1n[nH]c2c1CCC2 97631995 PXMZUUFGGRWDIX-UHFFFAOYSA-N 307.401 2.782 0 50 DFAA O=C1COc2ccc(CN3CCC[C@H](C(F)(F)F)C3)cc2N1 294904156 MVXXAXWGLDIIGZ-NSHDSACASA-N 314.307 2.792 0 50 DFAA CN1CCC(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 97742938 SMFAIDJWAOYQCZ-CQSZACIVSA-N 315.339 2.533 0 50 DFAA N[C@H]1CC[C@@H]([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)CC1 244852544 UUHZPOGPSHXKMT-GUTXKFCHSA-N 310.401 2.816 0 50 DFAA C[C@H](NC(=O)CCN(C)CCC1(O)CCCC1)c1ccccc1 244795910 RPQZLVLHBMZQOV-INIZCTEOSA-N 318.461 2.881 0 50 DFAA C[C@@H](CN1CCC2(CCc3ccccc32)CC1)N1CCOCC1 244884163 YGPYISMNZHWBKF-KRWDZBQOSA-N 314.473 2.687 0 50 DFAA COc1ccc(Cl)cc1CN(C)C(=O)CCCn1cccn1 345046455 IBAYDGVTGADJSC-UHFFFAOYSA-N 321.808 2.984 0 50 DFAA Cc1cc(=O)cc(C(=O)N[C@H](CC(C)C)c2cccnc2)o1 299776121 KLTHAAAIBNPCFA-OAHLLOKOSA-N 300.358 2.860 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N[C@H](c1nccn1C)C1CC1 299775691 HDULWLNFMWUBAJ-AWEZNQCLSA-N 321.327 2.588 0 50 DFAA Cn1ccnc1SCC(=O)NCc1nc(C(C)(C)C)cs1 299795369 LCWRITYFTKVUDN-UHFFFAOYSA-N 324.475 2.583 0 50 DFAA CCN(CCOC)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299785507 SROSUUPJHCYJKL-KSZLIROESA-N 316.445 2.707 0 50 DFAA Cc1ncsc1CCC(=O)N(C)CCc1noc(C(C)C)n1 584904185 YBHMWRVXQDNTEG-UHFFFAOYSA-N 322.434 2.592 0 50 DFAA CN(Cc1cnccc1Cl)C[C@H]1CC(=O)N(C(C)(C)C)C1 670438285 XFVIGWLRXRSMTM-GFCCVEGCSA-N 309.841 2.814 0 50 DFAA Cc1nc(OC[C@@]23CC[C@@H](CO2)C3)nc(C)c1Br 1875324235 NKBLAQRRPJROPS-MFKMUULPSA-N 313.195 2.804 0 50 DFAA CCn1nc(C)cc1C(=O)N=[S@](C)(=O)c1ccc(F)cc1 952880171 UMBZRWNTBLIMQV-OAQYLSRUSA-N 309.366 2.648 0 50 DFAA C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)n1cc(Cl)cn1 1875253643 PIXUCUDPUJKUKL-GXFFZTMASA-N 305.765 2.738 0 50 DFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@H]1CCCOC1 952984446 VYRGVMRUIDZOGC-CYBMUJFWSA-N 315.373 2.512 0 50 DFAA O=C(c1cc2occc2s1)N1CCC2(CC1)C[C@H](O)CCO2 886113464 SAOFLJNMVJVEJH-LLVKDONJSA-N 321.398 2.640 0 50 DFAA CCc1ncnc(NCC(=O)Nc2c(C)cccc2C)c1F 270997204 XZMWMZGUQAIVAJ-UHFFFAOYSA-N 302.353 2.846 0 50 DFAA CCn1cc(NC(=O)c2cccc3c2OCC3(C)C)ccc1=O 278979137 JGFLZBDMPFLGDX-UHFFFAOYSA-N 312.369 2.791 0 50 DFAA COc1ccc(C[C@H](C)NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1OC 171513618 RFLRBSUOTODWIC-TUUVXOQKSA-N 315.413 2.963 0 50 DFAA CC(C)n1c(SC[C@@H]2CC3(CCC3)C(=O)O2)nnc1N(C)C 187982109 PYFQUQPGVQENOU-NSHDSACASA-N 324.450 2.503 0 50 DFAA Cc1ccc(-c2ncccc2NC(=O)NC2(CO)CC2)s1 189482034 CPVZNJKDDOTBDP-UHFFFAOYSA-N 303.387 2.765 0 50 DFAA Cc1cn(Cc2ccccc2)nc1NC(=O)Cc1c(C)n[nH]c1C 641705140 ZVXFABVHOOQGQE-UHFFFAOYSA-N 323.400 2.761 0 50 DFAA C[C@@H]1CC[C@H](CNC(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)O1 656314118 PWRUKZGPMJVBMA-DDHJBXDOSA-N 308.344 2.926 0 50 DFAA Cc1nc(N2CCCN(C(=O)C3CCC3)CC2)ccc1Cl 1506417146 OEWLFCQULXAXBC-UHFFFAOYSA-N 307.825 2.882 0 50 DFAA CO[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 316492 ROHXNJRSCCBYSP-OLZOCXBDSA-N 303.811 2.576 0 50 DFAA CC1(C)CN(C(=O)C2CC2)c2ncc(Br)cc2O1 1875325089 HOALIARNKQADCM-UHFFFAOYSA-N 311.179 2.758 0 50 DFAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1 378827 UXWHIYXCQLBODU-GFCCVEGCSA-N 300.745 2.857 0 50 DFAA Cc1onc(-c2cccs2)c1C(=O)N1CC[C@H](C(C)(C)O)C1 1615549573 RTDMDCKBABPTAZ-NSHDSACASA-N 320.414 2.945 0 50 DFAA COc1ccccc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 458762 DFIZGWGNVLLGGL-UHFFFAOYSA-N 324.336 2.601 0 50 DFAA OC1([C@@H]2CCCN2Cc2cnn(-c3ccccc3F)c2)CC1 1772811893 AJWSKKIHTJVRCE-INIZCTEOSA-N 301.365 2.501 0 50 DFAA CCc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1N 11693067 SDYMIJAYLMDDQF-UHFFFAOYSA-N 307.357 2.664 0 50 DFAA C[C@@]1(CCC(=O)N2CCC[C@@H](c3ccccc3)C2)CCC(=O)N1 14878803 CWIQVKSNMQYVLT-APWZRJJASA-N 314.429 2.842 0 50 DFAA CC(C)C(=O)N[C@H](NCc1cccnc1)C(Cl)(Cl)Cl 19316203 DTNVRUTVMOPKLV-NSHDSACASA-N 324.639 2.640 0 50 DFAA COc1ccc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1 19787558 OUWVYAIAJANVOS-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA Cc1cccc2nc([C@@H]3CCCN3CC3COCCOC3)[nH]c12 1857686754 GHDWLBAIRQMLAY-INIZCTEOSA-N 315.417 2.671 0 50 DFAA COc1cc(C(=O)Nc2ccc(O)cc2C)cc(OC)c1OC 92299 YGLRJCPVEXXIKM-UHFFFAOYSA-N 317.341 2.979 0 50 DFAA O=C(N[C@@H]1CCCCC[C@@H]1CO)c1c[nH]nc1-c1ccsc1 225442212 LNTOSYHVXPUGRN-BXUZGUMPSA-N 319.430 2.809 0 50 DFAA C[C@H](NC(=O)c1c(O)cccc1F)c1ccc2c(c1)CC(=O)N2 131458213 FKBHLRIYEDWRSI-VIFPVBQESA-N 314.316 2.517 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)[C@H]2CCO[C@H]21 245289555 CQDMIEBFJOKAEA-OXGONZEZSA-N 303.377 2.859 0 50 DFAA COc1ccc(C2(NCc3n[nH]cc3C)CCOCC2)cc1F 352863298 UKTNZSBHLWKWMR-UHFFFAOYSA-N 319.380 2.661 0 50 DFAA 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319.371 2.986 0 50 DFAA COc1cc(CNc2cc(S(N)(=O)=O)ccc2C)ccc1C 585118142 DKJUDIIBUOHPFZ-UHFFFAOYSA-N 320.414 2.572 0 50 DFAA CCCc1cc(NC(=O)NCc2cnc(Cl)s2)n(C)n1 585119664 OWIZFBYZMQFHEC-UHFFFAOYSA-N 313.814 2.804 0 50 DFAA CC(C)(C(=O)N1CCC[C@H]([C@H]2CCCNC2)C1)c1cccnc1 646377685 FOYZSFLEBBJKLG-HOTGVXAUSA-N 315.461 2.597 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)Nc3cnns3)C2)cc1 192323146 UCDHYIUGAVSJEY-LLVKDONJSA-N 304.375 2.568 0 50 DFAA O=C(Cc1ccc(-n2cccn2)cc1)Nc1ccc2c[nH]nc2c1 192639539 ZHTAJAITWPEXNL-UHFFFAOYSA-N 317.352 2.930 0 50 DFAA Cc1ccc(-n2cccn2)cc1NC(=O)[C@H](C(=O)O)C(C)(C)C 663049201 MUJNOMVGKQKEFR-CQSZACIVSA-N 315.373 2.866 0 50 DFAA O=C(NOC1CCCC1)[C@@H]1CCCCN1C(=O)c1ccccc1 775274833 AWTWSKCOBLXQSG-INIZCTEOSA-N 316.401 2.672 0 50 DFAA Cc1cc(CC(=O)N2CCC([C@H](O)c3cccs3)CC2)on1 1506413438 RLYCIDMJYVDTQP-INIZCTEOSA-N 320.414 2.559 0 50 DFAA CCCc1noc(CN2CCC[C@H](OCc3cccnc3)C2)n1 11938348 XKWJKXKKHJBJRP-HNNXBMFYSA-N 316.405 2.598 0 50 DFAA CNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 12137760 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1875272216 CYKPTZBVXDXIAS-ZHACJKMWSA-N 323.396 2.933 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1 952888172 LSDTZRBIHDCCQY-JLJPHGGASA-N 313.401 2.858 0 50 DFAA CC(C)CN1C[C@@H](c2noc([C@@H]3CC(C)(C)CO3)n2)CCC1=O 1875303489 AKPDEKDGRXBYRT-STQMWFEESA-N 321.421 2.919 0 50 DFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cncc(Cl)c3)cc2[nH]1 952873235 XRHJCUZICDJYTH-MRVPVSSYSA-N 316.748 2.917 0 50 DFAA Cc1ccoc1CN1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886055072 PMZVUZAELASGEQ-KRWDZBQOSA-N 315.417 2.698 0 50 DFAA O=C(OCc1ccccc1)N1CCc2c(cnnc2Cl)C1 1775955011 ITVXVJLSABCEQH-UHFFFAOYSA-N 303.749 2.825 0 50 DFAA C=CC(=O)NC1(c2nc(Cc3cccnc3)no2)CCCCC1 1776005179 CXVPZKWBFGCZLO-UHFFFAOYSA-N 312.373 2.517 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 277062172 ROMCKIKQFKLKAG-WDEREUQCSA-N 305.300 2.589 0 50 DFAA COc1ccc(CNc2ccccc2O[C@H]2CCOC2)cn1 408514258 KBCBOSWWHVNARJ-AWEZNQCLSA-N 300.358 2.870 0 50 DFAA O=C(NCc1nnc(S)n1C1CC1)C1CCCCCCC1 170639017 AFGLASSMJFAPAY-UHFFFAOYSA-N 308.451 2.878 0 50 DFAA 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COc1ccc(CN(C)C(=O)COc2ccccc2OC)cc1 6730124 BBDDGUCWAHKXFE-UHFFFAOYSA-N 315.369 2.741 0 50 DFAA O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H]2C[C@@]21CO 1857530515 JEHPZPMJUBJODA-SJKOYZFVSA-N 318.804 2.737 0 50 DFAA CCn1c(O)nc2cc(C(=O)N(C)Cc3ccc(C)o3)ccc21 665298535 XOSLMHNFAVPULZ-UHFFFAOYSA-N 313.357 2.935 0 50 DFAA Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC(C(C)(C)C)CC1 225576777 KICKRXPRBSUXDS-UHFFFAOYSA-N 319.449 2.604 0 50 DFAA CC1(C)[C@H](NC(=O)NCCc2cccc(F)c2F)[C@@H]2CCO[C@H]21 230154427 BBKXLDBLIJDHRS-NILFDRSVSA-N 324.371 2.620 0 50 DFAA Cc1noc(C)c1C(=O)N[C@@](C)(CC(=O)O)c1cccc(F)c1 448990989 AHSKRQIYLUYBCH-INIZCTEOSA-N 320.320 2.550 0 50 DFAA CC(=O)N[C@@H](CSc1ccnc2cc(Cl)ccc12)C(=O)O 238950816 ZRTZSWZQMGALDE-LBPRGKRZSA-N 324.789 2.570 0 50 DFAA Cc1cc(O[C@H](C)C(=O)N2CC3(CCOC3)C2)ccc1Cl 342000731 IKZAMVOQAOEBBU-GFCCVEGCSA-N 309.793 2.665 0 50 DFAA Cc1cc(N2CCN(C(=O)[C@H]3CC3(C)C)CC2)nc(C(C)C)n1 152763656 OLJCFUJABMVYOT-CQSZACIVSA-N 316.449 2.603 0 50 DFAA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1c(F)ccnc1F 585124577 IFTXQZZGGHRBMU-UHFFFAOYSA-N 320.221 2.522 0 50 DFAA Cn1ncc2ncc(-c3cnc(OCC4CC4)c(C(=O)O)c3)cc21 901115096 IVMZHVXBFMVZQL-UHFFFAOYSA-N 324.340 2.517 0 50 DFAA CC(C)CC1(C)CCN(C(=O)C[C@H]2C=CS(=O)(=O)C2)CC1 811532501 WFLGPWCQXLZMNM-CQSZACIVSA-N 313.463 2.610 0 50 DFAA CN(Cc1ccc2cnccc2c1)C(=O)CCc1nccn1C 2325770093 AKLADOMMJVJBRT-UHFFFAOYSA-N 308.385 2.560 0 50 DFAA Cn1nccc1C1(NC2CCN(Cc3cccs3)CC2)CC1 2325808767 RDVSVZGMGQSARN-UHFFFAOYSA-N 316.474 2.725 0 50 DFAA O=S(=O)(Nc1cnc(C2CCCCC2)nc1)c1ccoc1 2325809165 LBHXEGCEPFTWGH-UHFFFAOYSA-N 307.375 2.918 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(F)cc2)N1 187310 KUJITIQQDMJFKR-CVEARBPZSA-N 310.328 2.995 0 50 DFAA biogenic COC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1C 610462 MVFTUEBLNVGGPJ-UHFFFAOYSA-N 311.384 2.644 0 50 DFAA C[C@H]1CN(C2CC2)CCN1C(=O)c1conc1-c1ccccc1 2356169428 BKBJGFMXDTUQLU-ZDUSSCGKSA-N 311.385 2.650 0 50 DFAA O=C(O)CSc1nnc(-c2ccccc2Br)o1 6744357 CCBSYCXRUNECQD-UHFFFAOYSA-N 315.148 2.676 0 50 DFAA CCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C 7428388 YWBHZWHZTSUNBQ-UHFFFAOYSA-N 306.387 2.980 0 50 DFAA O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1CCCC1 55069886 BBQAYCGVWHXRAT-UHFFFAOYSA-N 321.852 2.521 0 50 DFAA CNc1ncccc1CN(CCOC)Cc1ccccc1F 55099836 URVDEVNKACSYHN-UHFFFAOYSA-N 303.381 2.911 0 50 DFAA CCN(CC)Cc1nnc2sc(-c3ccccc3F)nn12 65363967 NWLALQHWEYDMBU-UHFFFAOYSA-N 305.382 2.834 0 50 DFAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)CC1CCOCC1 347734549 HPEUQZWJYBSFCP-JZXOWHBKSA-N 309.450 2.735 0 50 DFAA Cn1ncnc1CCNC(=O)c1cccc(-c2ccccc2F)c1 20210901 PLIJTMCRDZCHHW-UHFFFAOYSA-N 324.359 2.594 0 50 DFAA Cc1cc(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)c(C)[nH]1 121620604 IUSOHOIPBUIVEI-SFHVURJKSA-N 314.385 2.593 0 50 DFAA CCn1cnnc1[C@@H]1CN([C@@H]2CCCc3ccccc32)CCO1 328629646 IKZDCJGFYDCYTM-SJORKVTESA-N 312.417 2.749 0 50 DFAA COc1c(C)cnc(Cn2oc(-c3ccccc3)nc2=O)c1C 253420601 YXVDVWHWPQTYGT-UHFFFAOYSA-N 311.341 2.572 0 50 DFAA O=C(O)c1cc(F)ccc1N1CCN(Cc2ccccc2)CC1 71670644 ULOYDKUTNHOZGG-UHFFFAOYSA-N 314.360 2.846 0 50 DFAA Cc1cc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)n(C)n1 333314047 SIYCGRQKRCPMCS-OAHLLOKOSA-N 318.421 2.542 0 50 DFAA CCCN(C(=O)[C@@H]1CCOC1)[C@@H](C)CC(=O)Nc1ccccc1 240871485 IKWMVEMKSLMWCR-LSDHHAIUSA-N 318.417 2.679 0 50 DFAA C[C@@H](ONC(=O)N1CC[C@H](c2nccn2C)C1)c1ccccc1 378112467 FETWAWJSCMNCQP-HIFRSBDPSA-N 314.389 2.612 0 50 DFAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cccnc1SC 77470746 IQPUJAWROGHRGQ-LBPRGKRZSA-N 322.430 2.751 0 50 DFAA O=C1CCN(C(=O)OCc2ccccc2)[C@H](C(F)(F)F)C1 35029287 QIDSGGVIXVGOFX-LBPRGKRZSA-N 301.264 2.919 0 50 DFAA CCOc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OC 72115567 TYPHKZNCYGHNQM-GFCCVEGCSA-N 315.373 2.610 0 50 DFAA CCc1oc(C(=O)N2CCSCC2)cc1CN1CCCC1 426387914 ZDXNKFZDFOKIEA-UHFFFAOYSA-N 308.447 2.627 0 50 DFAA COC[C@@H](NC(=O)c1cc(Cl)ccc1OC)c1ccccn1 223579499 WGUOCSJJVQSWCF-CQSZACIVSA-N 320.776 2.861 0 50 DFAA Cc1cccn2cc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)nc12 426551757 GGSRAISSQPWFKX-MRXNPFEDSA-N 321.380 2.936 0 50 DFAA CCc1ccccc1NCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239159584 MJSCFQBYOZURHK-WKLICJCCSA-N 322.408 2.672 0 50 DFAA COCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C 95524389 KPDIHXZEWARPCN-KRWDZBQOSA-N 316.445 2.503 0 50 DFAA CC(C)CC(O)(CC(C)C)c1cnn(C(=O)N2CCCC2)n1 95099955 GXBVPGCIMCIASQ-UHFFFAOYSA-N 308.426 2.622 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3nc(C)sc3C)C2)n1 244594152 DHKFLTPFVUCVHA-CQSZACIVSA-N 318.446 2.589 0 50 DFAA CCc1nn(C)cc1NC(=O)N1CC(C)(C)[C@H]1c1ccncc1 296788234 HINYHAYJLRJKGA-OAHLLOKOSA-N 313.405 2.993 0 50 DFAA O=C(c1cc(F)ccc1O)N1CCSC[C@@H]1c1nccs1 184166740 UCSHKUUHPFJLJB-LLVKDONJSA-N 324.402 2.918 0 50 DFAA CC(C)(CN1CCCCCC1)NC(=O)Cc1cccc(O)c1 534639493 RHJURFBONJTMTP-UHFFFAOYSA-N 304.434 2.706 0 50 DFAA COCCOCC(=O)NCc1sc2ccccc2c1Cl 299784076 HRSHYXJCIYXEOQ-UHFFFAOYSA-N 313.806 2.834 0 50 DFAA CSCc1noc(CNC(=O)Nc2c(C)cc(C)nc2C)n1 299760099 RKCOVRFKKZREIZ-UHFFFAOYSA-N 321.406 2.575 0 50 DFAA CCc1cc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cs1 299794941 LABXXEZWHKKCTF-GFCCVEGCSA-N 320.458 2.831 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 828296206 ZSLFXWADYIQPDL-ZAZJYDDPSA-N 324.163 2.826 0 50 DFAA COc1ccccc1N1CC[C@@H](Nc2ncc(Cl)cn2)C1 268211453 IFNFMIYIGKMJIR-GFCCVEGCSA-N 304.781 2.829 0 50 DFAA Cc1cnccc1N1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 584900088 BPBJNDQACUZERY-IKGGRYGDSA-N 311.429 2.641 0 50 DFAA CCO[C@@H](CCNC(=O)NCC1CSC1)C1CCCC1 585137281 QKDSSRHKMCQYCK-AWEZNQCLSA-N 300.468 2.634 0 50 DFAA CN(Cc1cc(-c2ccccc2)on1)C(=O)C[C@@H]1CCOC1 584890431 JMSBTXPRMQNSIJ-ZDUSSCGKSA-N 300.358 2.727 0 50 DFAA c1coc(CN2CCC(N[C@H]3COc4ccccc4C3)CC2)c1 670450637 WQDQPYFWVHROCI-QGZVFWFLSA-N 312.413 2.837 0 50 DFAA CC(C)(C)n1ncc(C(N)=O)c1NC(=O)c1ccc(Cl)cc1 1875388324 WTWUVXAXBJOQMD-UHFFFAOYSA-N 320.780 2.643 0 50 DFAA C[C@H](NCc1ncccc1O)c1cccc(N2CCCC2=O)c1 952845777 QYIUXQSSBKRUIL-ZDUSSCGKSA-N 311.385 2.765 0 50 DFAA C[C@@H]1CCN(c2cc(C3CCCCC3)ncn2)[C@@H](C(N)=O)C1 1875288104 NNWBVYUEJPWSBL-IUODEOHRSA-N 302.422 2.615 0 50 DFAA COC(=O)/C=C/CNC(=O)[C@@H](OC1CCCC1)c1ccccc1 1875273285 LPKAPUNXBASJFK-CRVDFBCUSA-N 317.385 2.532 0 50 DFAA Cc1ccc(-c2noc(CCC(=O)N3C[C@H]4CC[C@H]4C3)n2)cc1 1875271837 ZUKRAEOWRJKZOM-GASCZTMLSA-N 311.385 2.846 0 50 DFAA Cc1ccc2c(c1)C[C@@H](C(=O)N=c1[nH]oc3c1CCCC3)S2 1875406025 VDAJWMNHBIUZFA-HNNXBMFYSA-N 314.410 2.939 0 50 DFAA Oc1n[nH]c(CNC[C@H]2CC2(c2ccccc2)c2ccccc2)n1 952963686 LICAJBFAKYSUIM-MRXNPFEDSA-N 320.396 2.606 0 50 DFAA COC1(c2nc(-c3cccc(N4CCCC4=O)c3)no2)CCC1 273779413 RBDMLMKNCGWATC-UHFFFAOYSA-N 313.357 2.889 0 50 DFAA CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1nn(C)cc1C 412332388 CTWYHEUNAKNYRE-OAHLLOKOSA-N 301.390 2.960 0 50 DFAA O=S(=O)(N[C@@H](c1ccccc1)c1cccnc1)c1ccco1 188681359 FPEREQILIFTEBC-INIZCTEOSA-N 314.366 2.743 0 50 DFAA CCOc1cc(CNC(=O)[C@@H]2CCCO[C@H]2C)ccc1OC 191814331 RPQIPPLJFKTHJR-GXTWGEPZSA-N 307.390 2.525 0 50 DFAA CCN1CCN(C(=O)c2ncc(F)cc2F)c2ccccc21 192303153 FLCHSYWUVNQRQS-UHFFFAOYSA-N 303.312 2.847 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1-n1ccnn1 194979793 MWTXUPCNBKBXNC-JKSUJKDBSA-N 322.343 2.692 0 50 DFAA COc1cccc([C@H](NC(=O)CC2=CCCCC2)C(=O)O)c1 659177058 RZJDPFZMVMNRAY-INIZCTEOSA-N 303.358 2.828 0 50 DFAA Cc1nnc([C@H]2CN(Cc3cccc4[nH]ccc34)C[C@@H](C)O2)o1 668650078 USTVNAFTRSUEMN-BDJLRTHQSA-N 312.373 2.821 0 50 DFAA Cc1cc(N2CCn3nc(C)cc3C2)c2cc3c(cc2n1)OCO3 1506395943 BUYSLPHCOHGBEV-UHFFFAOYSA-N 322.368 2.797 0 50 DFAA Cc1cc(-c2cc3c(cc2OC(C)(C)C(=O)O)OCC3)cnn1 1615056508 ZQPPYCLAIMNBBH-UHFFFAOYSA-N 314.341 2.629 0 50 DFAA Cc1cc(Cl)ccc1OCCN(C)C[C@H]1CCC(=O)N(C)C1 1775982075 PVBZURHLSOFTGR-CQSZACIVSA-N 324.852 2.827 0 50 DFAA CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)O 12351363 BNSXKDBZQDOLAL-ZDUSSCGKSA-N 309.362 2.571 0 50 DFAA Cc1cc(N2CCC(Cc3ccccc3)CC2)c2nncn2n1 16622392 ZFUWSJZCKBSHHS-UHFFFAOYSA-N 307.401 2.892 0 50 DFAA Fc1ccc(-c2nnnn2-c2ccc(Br)cn2)cc1 168473464 BDPSPVHJQZYTFV-UHFFFAOYSA-N 320.125 2.626 0 50 DFAA CCOC(=O)C1CCN(C(=S)c2ccc(N(C)C)cc2)CC1 4622884 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CC(=O)N(C[C@H]1CCCN1Cc1cnc(C2CC2)s1)C1CC1 328655365 YGBGRDGWDVGPRC-OAHLLOKOSA-N 319.474 2.996 0 50 DFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C[C@@H]1CCCN1 155275808 URDSAZVNFWUDBN-HOTGVXAUSA-N 302.418 2.507 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnn(C)c2)C1 363715112 STMDUPKIOPGYME-LBPRGKRZSA-N 317.364 2.588 0 50 DFAA Cn1ncc2c(NC[C@@H]3CCCO3)nc(C3CCCC3)nc21 72424641 KZMKEHHXAOJFED-LBPRGKRZSA-N 301.394 2.612 0 50 DFAA C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2N)CCS1 370305477 KWAQSXSFJOGPLG-LBPRGKRZSA-N 313.426 2.908 0 50 DFAA O=C1CN(c2ncnc3sccc23)CCN1C1CCCCC1 32573441 VAIQFRDOXMDBPT-UHFFFAOYSA-N 316.430 2.673 0 50 DFAA Cc1nc(CC(=O)N2CCC[C@@H]2c2c(C)noc2C)cs1 72473575 OQZXQNLRXNWKRX-CYBMUJFWSA-N 305.403 2.963 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]1c1ccccc1 263005323 WSQUETUCYPNNME-CHWSQXEVSA-N 301.367 2.689 0 50 DFAA CCc1nccn1CCC(=O)N[C@@H](CC)c1cccc(C)n1 219001957 MYOJJXBHNDWYTC-AWEZNQCLSA-N 300.406 2.807 0 50 DFAA CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)[C@H]1CCO[C@@H]1C 241287522 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CCc1nc2ccccc2n1CCC(=O)NCC[C@@H]1CCOC1 426434825 IAEUUHMZZCBOHU-CQSZACIVSA-N 315.417 2.532 0 50 DFAA Cc1noc(C)c1CNC(=O)CC[C@@H]1CCCN2CCCC[C@H]12 95361319 OKENAQUXUCASPW-DOTOQJQBSA-N 319.449 2.952 0 50 DFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1CCCCCN1C 97698730 VTCBYYQXGHAWKN-QGZVFWFLSA-N 320.481 2.914 0 50 DFAA Cc1cccc(NC[C@H]2CCN(Cc3cccc4nccn34)C2)n1 179989142 BWMNFNLETLJUOD-MRXNPFEDSA-N 321.428 2.972 0 50 DFAA COc1ccc(-c2ncc(CN(C)Cc3nccn3C)cn2)cc1 97334311 LMGXWUKBEJGOEM-UHFFFAOYSA-N 323.400 2.518 0 50 DFAA c1nc(C2CCN(Cc3nc4c(s3)CCCC4)CC2)no1 97785127 RTMDWPVUOMMQPH-UHFFFAOYSA-N 304.419 2.785 0 50 DFAA Cc1ccc(C)c([C@@H](C(=O)O)N(C)CCn2ccnc2C)c1 95363159 BVVBRGHUFKECDA-INIZCTEOSA-N 301.390 2.566 0 50 DFAA C[C@@H]1CN(Cc2cnn(CC(F)F)c2)c2ccccc2NC1=O 294802914 WBWULHAZIQHBJB-LLVKDONJSA-N 320.343 2.743 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1cnc(SC)nc1)C2 95392498 ZEQDYIRNJMVNPM-DZGCQCFKSA-N 306.479 2.505 0 50 DFAA COc1cnc(CN2CCCC[C@@H]2c2nccs2)cc1O 244741833 NXUWPWKCRMAGBE-GFCCVEGCSA-N 305.403 2.980 0 50 DFAA Cc1cc2[nH]ncc2cc1NC[C@@H]1CCO[C@H]1c1ccnn1C 299742177 IJIRYXWCJSKDOT-YVEFUNNKSA-N 311.389 2.795 0 50 DFAA Cc1c(C(=O)O)sc2ncnc(NCCc3ccccn3)c12 299761961 SPHKMYSJUKWJCJ-UHFFFAOYSA-N 314.370 2.748 0 50 DFAA C[C@@H](c1ccccc1)c1cc(C(=O)N(C)Cc2ncc[nH]2)on1 299771825 VUZVOAXTHLXCLZ-LBPRGKRZSA-N 310.357 2.822 0 50 DFAA C[C@@H]1CC[C@@H](CCC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)O1 268955532 XJDJYPBDAWLEAP-BYCMXARLSA-N 323.364 2.805 0 50 DFAA CC[C@@H](NC(=O)c1cc(-c2cccn2C)[nH]n1)c1ccncc1 822662188 WCXOCCHGWSJGBB-CYBMUJFWSA-N 309.373 2.691 0 50 DFAA CN(CCN1CCCC1)C(=O)[C@]1(c2cccs2)CC1(C)C 584900529 WBHMSRJPGXKGJK-QGZVFWFLSA-N 306.475 2.970 0 50 DFAA O=C(N[C@H]1CCC[C@H]1C(=O)O)c1cccc(-c2ccccc2)n1 1875277895 MIASVGBKJGVLAD-HIFRSBDPSA-N 310.353 2.732 0 50 DFAA CCCc1cc(C(=O)Nc2cc3c(C)nn(C)c3nc2C)no1 1875276360 OBXUPKYQQFMRDF-UHFFFAOYSA-N 313.361 2.778 0 50 DFAA COc1ccc(NC(=O)c2occc2C)cc1C(=O)N(C)C 952976760 YAHQFLQUOOZJDH-UHFFFAOYSA-N 302.330 2.551 0 50 DFAA COc1ccccc1-c1nc(CN[C@]23CCC[C@@H]2NCC3)co1 1775962612 VTBXXATZOOPMQT-WMZOPIPTSA-N 313.401 2.724 0 50 DFAA CS[C@H](C)Cc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 274082989 ZETPWDUKOKBSPJ-VXGBXAGGSA-N 317.414 2.884 0 50 DFAA CN(Cc1cc(O)cc(F)c1)C[C@@H]1COc2ccccc2O1 186160459 XSNXSVYLMDCJJM-OAHLLOKOSA-N 303.333 2.803 0 50 DFAA O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CC12CCC2 675296181 XXZFMYZLZNHNGK-NSHDSACASA-N 314.307 2.829 0 50 DFAA CO[C@H]1CCC[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 170607681 NFRWWGXWSJDXNT-UWVGGRQHSA-N 302.296 2.788 0 50 DFAA COc1cnc(N(C)C[C@H]2CCCOC2)c(Br)c1 585118666 XVUVUBAWBZWPBF-SNVBAGLBSA-N 315.211 2.716 0 50 DFAA CCCc1occc1C(=O)N(C)Cc1c[nH]c(C)c(OC)c1=O 585128630 IRVRNZIOSSFDAZ-UHFFFAOYSA-N 318.373 2.510 0 50 DFAA CC(C)c1nocc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2F)C1 638348872 VDHHHVYUBQTSFQ-SWLSCSKDSA-N 317.364 2.504 0 50 DFAA O=C(Nc1ncc(Cc2ccccc2)s1)N1CCC[C@@H](O)C1 192733712 DPMBTZKNSDMMPU-CYBMUJFWSA-N 317.414 2.723 0 50 DFAA C[C@@H](Cc1ccc(F)cc1)NCc1nc([C@H]2CCCO2)n[nH]1 655797828 QSDODFWKZPNHFW-SMDDNHRTSA-N 304.369 2.516 0 50 DFAA c1ccc2sc(NCc3nc([C@H]4CCCO4)n[nH]3)nc2c1 656209322 SKADRPBCCSZBEP-SNVBAGLBSA-N 301.375 2.878 0 50 DFAA CC(C)N1C[C@H](CN2CC(Oc3ccccc3F)C2)CCC1=O 1775980260 WRBVHBSNSZZZHM-AWEZNQCLSA-N 320.408 2.536 0 50 DFAA O=C(NCc1ccccc1F)[C@H]1CC(Cc2ccccc2)=NO1 14882602 XRMVCORZZIGDHB-QGZVFWFLSA-N 312.344 2.830 0 50 DFAA Cc1cc(C)nc(SCC(=O)NCc2ccc(F)cc2)n1 16621959 RDPHVJQDUDOREI-UHFFFAOYSA-N 305.378 2.641 0 50 DFAA CC(C)(CO)CN[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 19299874 LMGDBAGAWIDJBJ-MRXNPFEDSA-N 310.869 2.913 0 50 DFAA Cc1cnc(NCc2cnn(C(C)C)c2)nc1-c1ccnn1C 19794722 DTTFKGMWDGADIH-UHFFFAOYSA-N 311.393 2.575 0 50 DFAA O[C@@]1(C(F)(F)F)CCCN(Cc2nc(C3CCCC3)no2)C1 407950692 DTSCMGJDBCSKNY-ZDUSSCGKSA-N 319.327 2.616 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cn(C)nc1C 328637415 VYDDUPJFEAWZNE-GFCCVEGCSA-N 318.446 2.686 0 50 DFAA Brc1ccc2c(I)n[nH]c2c1 14983465 POXUFQBYDQCUFO-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro C[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccccc1F)C1CC1)C(=O)O 252585624 JYJWGZUPRYRRQL-DDTOSNHZSA-N 305.349 2.641 0 50 DFAA O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1cc(F)cc2[nH]cnc12 152324404 TXIQKRAORGHKRW-YLQAJVPDSA-N 307.328 2.770 0 50 DFAA O=C(O)C[C@@H](c1ccccc1)C1CCN(Cc2cc[nH]n2)CC1 901599606 LWUQFTWKHFNQLO-KRWDZBQOSA-N 313.401 2.880 0 50 DFAA CCCc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc(O)n1 932795507 MWUSTXCIKIDOKI-OAHLLOKOSA-N 314.389 2.830 0 50 DFAA CC(C)Cc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)s1 934990607 MHIPAFOVYDFFBJ-LLVKDONJSA-N 303.431 2.957 0 50 DFAA O=C(NC1CC1)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 363307777 VWFKCGHRWRXIGP-LJQANCHMSA-N 313.445 2.847 0 50 DFAA CN(Cc1cc2ccccc2nc1O)C[C@H](O)c1cccnc1 2325716448 KKVJNWNDUANGNC-KRWDZBQOSA-N 309.369 2.501 0 50 DFAA C[C@H](NC[C@@H](CO)Cc1ccco1)C1=Cc2ccccc2OC1 2325773806 HGTGVCNFZDZWKI-GJZGRUSLSA-N 313.397 2.885 0 50 DFAA CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 249307 HNODGNXBMCQFJK-UHFFFAOYSA-N 321.398 2.919 0 50 DFAA Cn1ncc(Br)c1C(=O)NC1CCCCCC1 483232 XAXDGZRKQQTUCS-UHFFFAOYSA-N 300.200 2.635 0 50 DFAA CN(C)S(=O)(=O)c1ccc(NC(=O)Oc2ccccc2)cc1 1399395 VULSLSXXJSDXRB-UHFFFAOYSA-N 320.370 2.548 0 50 DFAA CC[C@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)OC 4056208 ZXFVADJEOCKHRY-AWEZNQCLSA-N 316.353 2.921 0 50 DFAA CCCCOc1ccc(I)cc1CO 4868178 KEDSBWDKUMKPAW-UHFFFAOYSA-N 306.143 2.962 0 50 DFAA Cc1ccccc1Oc1ncccc1CNC(=O)c1ccnn1C 12429490 CFTKALHWNPRVMN-UHFFFAOYSA-N 322.368 2.846 0 50 DFAA COc1ccc(-c2cnnc(N[C@H](C)Cc3cccnc3)n2)cc1 12436417 GTJDQFYUWFCJKH-CYBMUJFWSA-N 321.384 2.985 0 50 DFAA COc1ccccc1/C=C(\NC(=O)c1ccccc1C)C(=O)O 16156581 ZXWHPDUTVSGCJO-PTNGSMBKSA-N 311.337 2.859 0 50 DFAA CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 18241467 QRNVTWVBMDJUAE-GJZGRUSLSA-N 313.353 2.707 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)c1ccc2c(c1)OCCO2 20271371 DWXOZNJKPYFFHN-UHFFFAOYSA-N 321.336 2.896 0 50 DFAA CN(Cc1nc2ccc(F)cc2[nH]1)Cc1nc(C2CC2)no1 20352311 WHUYMDLMQBKAFV-UHFFFAOYSA-N 301.325 2.594 0 50 DFAA Clc1ccc(-c2nnc3sc(-c4cc[nH]n4)nn23)cc1 31809301 JLHOYUKRWVHCED-UHFFFAOYSA-N 302.750 2.896 0 50 DFAA O=C(O)CN(CC(=O)NCCC1=CCCCC1)c1ccccc1 34926512 IASXWVGPMGMZES-UHFFFAOYSA-N 316.401 2.584 0 50 DFAA COCCN(c1nc(C)nc2sccc12)C1CCN(C)CC1 63834742 KJQANRYLTRDLRD-UHFFFAOYSA-N 320.462 2.547 0 50 DFAA CC(C)N(Cc1cc2c(cc1Cl)OCO2)C[C@H]1CCC(=O)N1 65372643 ZXIGRGTYVLOCFL-GFCCVEGCSA-N 324.808 2.558 0 50 DFAA CC(C)=CC(=O)NC[C@H]1CCCN(Cc2nccn2C(C)C)C1 67965890 UXKHEEOXMQXBML-MRXNPFEDSA-N 318.465 2.758 0 50 DFAA COc1c(C)cc(C(=O)N2CCC[C@@H](N(C)C)CC2)cc1C 72134698 WDQNIGTVGODAAS-MRXNPFEDSA-N 304.434 2.868 0 50 DFAA Clc1nc(Cl)c2c(I)c[nH]c2n1 72267051 RIRSSBIXHXMTLS-UHFFFAOYSA-N 313.913 2.869 0 50 DFAA in-vitro O=C1CCCCCN1CC(=O)N1CC[C@H](c2ccccc2F)C1 77454941 GRQNWGODTYQJGJ-AWEZNQCLSA-N 318.392 2.544 0 50 DFAA CO[C@H]1CCCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 77712035 JMHNCNBBWLCDPN-AWEZNQCLSA-N 300.362 2.719 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)[C@H](C)CN2CCCC2)C1 82096155 OAIMLIIHEKJSQY-MRXNPFEDSA-N 316.445 2.625 0 50 DFAA CCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O 91547882 QSSASMGVUCCAMP-GOSISDBHSA-N 322.408 2.838 0 50 DFAA Cc1ccnc([C@@H](NC(=O)c2cn3ccccc3n2)C2CC2)c1 97447091 YZBJGZDBGQYVBM-KRWDZBQOSA-N 306.369 2.919 0 50 DFAA Cc1cc(C)n([C@H](C)CNC(=O)c2ccc(-c3cc[nH]n3)cc2)n1 97602258 KANRTRRXCQRXJM-CQSZACIVSA-N 323.400 2.881 0 50 DFAA O=C(NCCc1ccccn1)c1ccc([C@@H]2CCCO2)s1 97696233 RTQGTBZCANBJGX-ZDUSSCGKSA-N 302.399 2.967 0 50 DFAA O=C(Nc1ccc(F)cc1)C1CCN(Cc2csnn2)CC1 130201991 JPWZSOHDSMFGNS-UHFFFAOYSA-N 320.393 2.528 0 50 DFAA CN[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 132836204 AOGICOGITZGVRK-QMMMGPOBSA-N 305.180 2.957 0 50 DFAA O=C1CCc2cc(C(=O)Nc3ccc4[nH]ncc4c3)c(F)cc2N1 134738242 RNRUIPKFWYTALV-UHFFFAOYSA-N 324.315 2.839 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 156310914 FXXJPQUJJAPQQN-XJKSGUPXSA-N 302.418 2.675 0 50 DFAA Cn1nc(-c2cccs2)nc1NC(=O)c1ccncc1Cl 193235603 TUEITZWWVNMMAO-UHFFFAOYSA-N 319.777 2.844 0 50 DFAA COc1ccc(C)cc1[C@H](C)NC(=O)NC[C@H]1CC[C@@H](O)C1 195578206 WCHFGMNDXYEJPG-MELADBBJSA-N 306.406 2.525 0 50 DFAA Cc1ccnc([C@@H](NC(=O)Cn2nc(C)c(C)c2C)C2CC2)c1 215114718 DBQGKHQFPRHVIE-SFHVURJKSA-N 312.417 2.779 0 50 DFAA CCN(Cc1cc2c(cc1OC)OCCCO2)C[C@H]1CCCO1 219313855 XMPWRCMGFRWYFV-OAHLLOKOSA-N 321.417 2.857 0 50 DFAA CCc1nc([C@H](C)NCC(=O)N2C[C@H](C)C[C@@H](C)C2)cs1 221813751 CSKOPFKRCVAOLO-UPJWGTAASA-N 309.479 2.861 0 50 DFAA Cc1cc(C)c2c(c1)N(C(=O)C[C@@H]1CSCCN1)CCC2 237617806 NIYKQLPXQNWVNT-CQSZACIVSA-N 304.459 2.678 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)CCc1ccc(C(F)(F)F)cc1 238066775 RLJKXLXWMCHHPC-GFCCVEGCSA-N 315.291 2.714 0 50 DFAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]21 239184839 RBSLAGQYLSMPCD-DVYJOKAKSA-N 319.744 2.740 0 50 DFAA COCCN1C[C@H](Cc2ccc(C(=O)C3CCC3)cc2)CC1=O 244795327 REDDILNEWPQSAG-OAHLLOKOSA-N 315.413 2.707 0 50 DFAA COc1nccc(NC(=O)N2CCC[C@H]2c2cccs2)n1 276390038 AIWDTGDTWWALGT-JTQLQIEISA-N 304.375 2.916 0 50 DFAA Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2ccc(O)nc2)no1 278039327 XTZOUCJVLCJOGK-VIFPVBQESA-N 313.361 2.534 0 50 DFAA O=C(N[C@H]1CCOc2c(F)cccc21)c1snnc1C1CC1 290681864 HYNFGIWSESRVIK-NSHDSACASA-N 319.361 2.808 0 50 DFAA C[C@H](CC(N)=O)N(C)C(=O)c1cccc(-c2ccsc2)c1 299760830 XNGYSOAFKDJEMQ-LLVKDONJSA-N 302.399 2.751 0 50 DFAA O=C([C@@H]1CCCCC(O)=N1)N1CCC[C@@H](c2ccncc2)C1 328597228 GBAREJTYNYSSRZ-CABCVRRESA-N 301.390 2.687 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)NCC[C@H]2C[C@H]3CC[C@H]2O3)on1 333578636 JSSKUFWUTJCGML-LJISPDSOSA-N 319.405 2.787 0 50 DFAA O=C(NCCc1ccc(F)cc1)N1CCOCC2(CCC2)C1 363968558 QTTDSXDMBNIFLP-UHFFFAOYSA-N 306.381 2.580 0 50 DFAA Cc1ccccc1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 408473410 AZEWTVQATXALIT-NVXWUHKLSA-N 309.413 2.779 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(c2cnn(CC)c2)CC1 408474399 VEWVBJSENPEOAA-IAGOWNOFSA-N 319.449 2.814 0 50 DFAA OCC[C@@H](NCc1ccc(Cl)cc1F)C1CCOCC1 408514282 CORUUPBORXZEKK-OAHLLOKOSA-N 301.789 2.746 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)n1 408517290 FPPHKMAUSIVNBD-IYBDPMFKSA-N 324.428 2.672 0 50 DFAA CCC[C@]1(CO)CCN(C(=O)C2(c3cccnc3)CCCC2)C1 426140486 ZBROQFSRPVCBIZ-SFHVURJKSA-N 316.445 2.905 0 50 DFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnccc3Cl)[C@H]2C1 426475433 MZLRDFAZMXCCOX-CWRNSKLLSA-N 310.825 2.893 0 50 DFAA O=C(c1cc(C(F)F)[nH]n1)N1CC[C@H](Oc2ccccc2)C1 426730450 SNCVMFWUOCFGTE-NSHDSACASA-N 307.300 2.641 0 50 DFAA CCn1cc(CN2CCC3(CC2)OCCc2ccccc23)cn1 453574897 MUENIUBVVSRKGN-UHFFFAOYSA-N 311.429 2.967 0 50 DFAA Cc1ccc(CNC(=O)c2cc(COC(C)(C)C)on2)nc1C 458021251 YRFXNKYYXAVLHP-UHFFFAOYSA-N 317.389 2.932 0 50 DFAA CCn1nc(CNC(=O)[C@@]2(C)CCCCO2)c2ccccc21 534644693 AVNSBJLVCVHQOK-QGZVFWFLSA-N 301.390 2.632 0 50 DFAA CCc1nccn1CCC(=O)NC[C@H](C)c1nc(C)cs1 584892666 PBDNKTUJLYPXDU-NSHDSACASA-N 306.435 2.520 0 50 DFAA CCS[C@H]1CCCCN(C(=O)C[C@@H](C)N2CCCC2=O)C1 585132054 NKJQGWUXRZWFLO-KGLIPLIRSA-N 312.479 2.522 0 50 DFAA O=C1NC[C@H](c2nc([C@H]3CCCS3)no2)c2ccccc21 624527934 XDMKFHMFZULTBZ-NWDGAFQWSA-N 301.371 2.513 0 50 DFAA Cc1cncn1CC(=O)NCCCCCc1ccc(F)cc1 626527032 HTRDEXVLLPLVGC-UHFFFAOYSA-N 303.381 2.860 0 50 DFAA Cc1ccc2occ(CC(=O)N[C@H](CC3CC3)C(=O)O)c2c1 630159166 MTWDBIVJSAMMMQ-CQSZACIVSA-N 301.342 2.653 0 50 DFAA Cc1noc(C)c1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327250 BVMMVANXSPORES-QWHCGFSZSA-N 300.314 2.732 0 50 DFAA Fc1cncc(Cn2cc(CN[C@H]3CCc4ccccc43)nn2)c1 641074226 YTDQBGMRYVJWCG-SFHVURJKSA-N 323.375 2.638 0 50 DFAA Cc1nnsc1CNC[C@H](O)c1ccc(Cl)cc1Cl 819329760 XORRACBEGASCIY-NSHDSACASA-N 318.229 2.977 0 50 DFAA COc1ccc(Cc2nnc([C@]3(OC)CCOC3)o2)c(Cl)c1 886086528 WALNXHYFABEARY-HNNXBMFYSA-N 324.764 2.584 0 50 DFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCC[C@H]2C[C@H]21 890247941 IAMQJMOMNBXFOC-GVDBMIGSSA-N 310.401 2.818 0 50 DFAA CCc1ncc(CN2CCC[C@H](c3nnc(CC)o3)[C@@H]2C)cn1 952852879 NIJPGGAAZXSWDH-JSGCOSHPSA-N 315.421 2.753 0 50 DFAA O=C(c1cccnc1)N1CCC(N[C@H]2CCc3ccccc32)CC1 952983405 DMRBYMXMVQDNKR-IBGZPJMESA-N 321.424 2.963 0 50 DFAA CCCC[C@@H]1C=CCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 952990459 YVDDBGGKHRLHHY-OAHLLOKOSA-N 322.430 2.764 0 50 DFAA O=C(c1cccc(Oc2ccccc2)c1)N1C[C@@H](O)[C@H](F)C1 952990633 VLMSESSRGVJUCT-HZPDHXFCSA-N 301.317 2.634 0 50 DFAA CC(=O)N1C[C@@H]2CN(C(=O)c3cccc(C)c3Cl)C[C@]2(C)C1 993299700 RNDWROQTPFJRHO-DYVFJYSZSA-N 320.820 2.589 0 50 DFAA Cn1ccc2c(C(=O)N3CC[C@@H](c4cnccn4)C3)cccc21 1597496102 IBWKXGFNTDWVKZ-CYBMUJFWSA-N 306.369 2.598 0 50 DFAA Nc1ccnc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)n1 1615548717 OUJONLPNKNAMJE-GFCCVEGCSA-N 302.765 2.690 0 50 DFAA CC(C)c1ccc(OCCN(C)c2nnc(CN(C)C)o2)cc1 1772701185 CUPSFUISPKXEGD-UHFFFAOYSA-N 318.421 2.770 0 50 DFAA OC[C@@H](O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1772812146 BYGSPBJYPGEYAO-OAHLLOKOSA-N 322.405 2.519 0 50 DFAA O=C(Nc1nc(C2CC2)ns1)N1C[C@H]2C[C@@]2(C(F)(F)F)C1 1776007364 MXBDNCNRLYLIMY-RDDDGLTNSA-N 318.324 2.832 0 50 DFAA C=CC(=O)N(Cc1cc(C)c2ncccc2c1)CC1(O)CCC1 1875382474 CLFYBWONTQQDLY-UHFFFAOYSA-N 310.397 2.973 0 50 DFAA O=C(c1ccccc1-n1cnnc1)N1CCc2ccccc2CC1 2100557047 XFBKQEYOIZYSMI-UHFFFAOYSA-N 318.380 2.508 0 50 DFAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1conc1-c1ccccc1 2356169427 BKBJGFMXDTUQLU-CYBMUJFWSA-N 311.385 2.650 0 50 DFAA COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(OC)c1OC 151329 CECXTPIENKPXOC-INIZCTEOSA-N 314.341 2.567 0 50 DFAA C[C@H](CCc1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1 295048 WXPRLJXHPFPOGM-KDOFPFPSSA-N 311.381 2.964 0 50 DFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)NC(=O)N1 332999 FLLOHPIDVAAXKJ-MRXNPFEDSA-N 323.352 2.659 0 50 DFAA O=C(c1ccco1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 355338 FZHLZWPYJQQFIV-UHFFFAOYSA-N 314.429 2.862 0 50 DFAA COc1ccc(CNC(=O)[C@H](OC(C)=O)c2ccccc2)cc1 406483 WMMSZZPVOFQUCR-QGZVFWFLSA-N 313.353 2.616 0 50 DFAA COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(C)=O 790041 UYQBBLNJOQEBAE-UHFFFAOYSA-N 320.370 2.976 0 50 DFAA Cc1ccccc1COc1cccc([C@]2(C)NC(=O)NC2=O)c1 3147762 LTYKUCXAPSRSTE-SFHVURJKSA-N 310.353 2.629 0 50 DFAA Cc1cnc(CN(C)c2noc(-c3ccccc3)c2C(=O)O)[nH]1 2356158309 HMGSXFHQKSQMIA-UHFFFAOYSA-N 312.329 2.708 0 50 DFAA CC(=O)c1cc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)n(C)c1 2356169530 SWIDSHBNGWVNPF-RTBURBONSA-N 312.413 2.578 0 50 DFAA CC(C)NC(=O)Nc1ccccc1N1CCC(CN(C)C)CC1 225521771 QRPLXDOJPXOVAX-UHFFFAOYSA-N 318.465 2.995 0 50 DFAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCNC(C)(C)C2)cc1 225785598 KBPIJNJXJSVPNV-AWEZNQCLSA-N 316.445 2.839 0 50 DFAA COc1ccc(OC)c(N2C(=O)[C@@H]3CC(C)=C(C)C[C@H]3C2=O)c1 104732472 CNXYMRWSASQIAE-ZIAGYGMSSA-N 315.369 2.940 0 50 DFAA O=C(CCN1CCCCCCC1)NCCCc1cccnc1 55384598 CJFIHWMMZAFRCY-UHFFFAOYSA-N 303.450 2.787 0 50 DFAA Cc1cncc(C(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1 55199526 WLQYKZSVXQKCFS-QGZVFWFLSA-N 311.385 2.606 0 50 DFAA CCCCOc1c(CN[C@@H](C)c2nc(O)n[nH]2)cccc1OC 55132636 CMMGVTLZVUPNCV-NSHDSACASA-N 320.393 2.549 0 50 DFAA COc1ccccc1[C@@H]1C[C@@H]1NC(=O)[C@H]1Cc2ccccc2O1 248256133 SLMVNACPBGAOIA-RLFYNMQTSA-N 309.365 2.671 0 50 DFAA C[C@H]1CN(CCOCCOc2ccc3c(c2)CCC3)C[C@H](C)O1 20652889 AVOMUMFHTXAGQU-HOTGVXAUSA-N 319.445 2.680 0 50 DFAA Cn1ccnc1CN1CCC[C@](CO)(CCc2ccccc2)C1 15076970 DAKQWGVIHYFYSH-IBGZPJMESA-N 313.445 2.627 0 50 DFAA O=C1CCC[C@@H](Cc2nc(Cc3cccc(F)c3Cl)no2)N1 350077363 UNNNVCBEQVPLTB-JTQLQIEISA-N 323.755 2.664 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCc2nnc(-c3ccccc3)o2)n1 65382239 IBFWKICOWVGNIK-ZDUSSCGKSA-N 311.389 2.728 0 50 DFAA CCN(CCCN(C)C)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 252491772 LSPCBLNZIHNCRG-UHFFFAOYSA-N 315.421 2.882 0 50 DFAA Cn1cnc2c(C(=O)NC3(c4ccccc4F)CC3)ccnc21 353958633 AYPMOQCCTKHDGJ-UHFFFAOYSA-N 310.332 2.527 0 50 DFAA Cc1ccc(NC(=O)[C@@H](C)n2ncc3ccccc3c2=O)cc1 65364315 UHVBAHQUZLUNFU-CYBMUJFWSA-N 307.353 2.905 0 50 DFAA O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ncc(C3CC3)o2)C1 253395037 CFQHALFYBRXUQO-LSDHHAIUSA-N 302.349 2.999 0 50 DFAA CN(CC[C@H]1CCCCN1C)C(=O)c1cccc2cn[nH]c12 172838733 IQFCHASSNLZQJJ-CQSZACIVSA-N 300.406 2.509 0 50 DFAA c1ccc(-n2nc(-c3nc([C@@H]4CCOC4)no3)c3c2CCC3)cc1 120423816 AHXPBGZWVNMXQF-GFCCVEGCSA-N 322.368 2.915 0 50 DFAA CCC1(CC)[C@H](NC(=O)c2c(C)cc(C)nc2O)[C@@H](C)[C@H]1OC 253534470 KBSJNXCFXGOQAC-BPLDGKMQSA-N 320.433 2.974 0 50 DFAA O=C(NCc1cccs1)[C@H]1CC(c2ccc(F)cc2)=NO1 5029881 ZYNXPSOYYBCNPK-CQSZACIVSA-N 304.346 2.697 0 50 DFAA CN(Cc1ccccc1)C(=O)c1cccc(CN2CCOCC2)c1 30852967 AHIAZWVHIWDKGX-UHFFFAOYSA-N 324.424 2.791 0 50 DFAA O=C(NCc1ccc(-n2cnc3ccccc32)nc1)NC1CCC1 369109362 VBUDIQDAJVXXFV-UHFFFAOYSA-N 321.384 2.772 0 50 DFAA CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cncnc1N(C)C 331027195 XDVDLDIVLSFMEZ-IPYPFGDCSA-N 320.437 2.855 0 50 DFAA C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cnn2ncccc12 331884443 CHGUDBVZICGKFT-MWLCHTKSSA-N 312.295 2.532 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@@H]4CCN(C)[C@@H]4C3)c2c1 77438374 PAWHLMVFZZPINS-HNAYVOBHSA-N 323.440 2.882 0 50 DFAA COc1ccccc1/C=C(/C(=O)N1CC[C@@H](N)C1)c1ccccc1 237294395 MDJROUSCBUHNBU-CLEQQJOVSA-N 322.408 2.795 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CC[C@H](N)C[C@@H]2C)c1 237486213 OYCSUMAZIYQOEQ-HOTGVXAUSA-N 304.434 2.882 0 50 DFAA Cc1cc(C)c2nc(C)cc(C(=O)NCCCn3cnnc3)c2c1 77377562 PGAJWBYODHOOAX-UHFFFAOYSA-N 323.400 2.572 0 50 DFAA CSCCCN1CCC(Oc2ccccc2)(C(=O)O)CC1 72454433 PSXJZIPJBZYOSS-UHFFFAOYSA-N 309.431 2.738 0 50 DFAA CC1(C)CN(C(=O)NCc2coc3ccccc23)CC[C@@H]1O 287556914 KSPZLKWMDMMGGC-HNNXBMFYSA-N 302.374 2.735 0 50 DFAA CCCNC(=O)c1cccnc1-c1ccccc1C(=O)NCC 43005020 RXSOYUBQLLIBMO-UHFFFAOYSA-N 311.385 2.638 0 50 DFAA Cc1nnc(NC(=O)c2csc(NC3CCCC3)n2)s1 44890030 IENDZKZBRFYWJR-UHFFFAOYSA-N 309.420 2.910 0 50 DFAA Cc1ccc(N2C[C@H](C)N(Cc3cccc(C)n3)CC2=O)cc1 82137268 UAJMSEAAICEBAO-INIZCTEOSA-N 309.413 2.936 0 50 DFAA CCOc1ncccc1C(=O)NCCCn1ncc2ccccc21 220023022 DGBNLLBWQJZZQC-UHFFFAOYSA-N 324.384 2.650 0 50 DFAA CCCCc1nc(CN2CCCC[C@H]2C(=O)NC)c(Cl)[nH]1 191079742 URUPJRGOLGGOPG-LBPRGKRZSA-N 312.845 2.506 0 50 DFAA CC[C@@]1(CNC(=O)c2nc(C)oc2C)OCCc2ccccc21 293363372 MQPQIRCOHRYUIA-SFHVURJKSA-N 314.385 2.899 0 50 DFAA COc1ccc(/C=C/CN2CCC(c3ccnc(N)n3)CC2)cc1 97505902 MRJKZQIOWSVZDP-NSCUHMNNSA-N 324.428 2.960 0 50 DFAA CC(C)(C)N1C[C@H](C(=O)NCCCc2ccc(F)cc2)CC1=O 91625839 YRNGSHJJKYPPBZ-CQSZACIVSA-N 320.408 2.522 0 50 DFAA Cc1ccc(NC(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)cc1F 96154130 ASYVJXJVPWPWFU-AWEZNQCLSA-N 319.380 2.657 0 50 DFAA CC(C)c1nc(CN2CCCC[C@@H]2CCN2CCOCC2)co1 97602592 YDNGEVUQCCVHDO-QGZVFWFLSA-N 321.465 2.875 0 50 DFAA CCc1ocnc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 265840696 VRJMYZPUBVUQIW-AWEZNQCLSA-N 301.390 2.578 0 50 DFAA CCOC(=O)c1c(C)nc2c(cnn2-c2cccc(F)c2)c1N 616588218 CWWFEAXTOZAVCR-UHFFFAOYSA-N 314.320 2.627 0 50 DFAA O=C(CCN1CCC2(CCO2)CC1)NCc1cccc(Cl)c1 299790496 BPOFSDOVRBBYOY-UHFFFAOYSA-N 322.836 2.601 0 50 DFAA CCCn1nc(CC(C)C)nc1CCN1CCCCCC1=O 823033070 HETHWSZWXFQALX-UHFFFAOYSA-N 306.454 2.832 0 50 DFAA O=C(NCC1CCN(C[C@H]2CC=CCC2)CC1)C1CCOCC1 827763634 DNCMTAJIBCZSTP-KRWDZBQOSA-N 320.477 2.598 0 50 DFAA COc1ccc(Cc2nc([C@@H]3CCCCCN3C)n[nH]2)cc1 584892896 QXGIZQLAGUPUMG-HNNXBMFYSA-N 300.406 2.951 0 50 DFAA CC1(C)CC[C@@H](CO)N(Cc2ccc(N3CCCC3)nc2)C1 871596253 ADCWRWNMUQOLKC-INIZCTEOSA-N 303.450 2.665 0 50 DFAA Cn1cc(C[N@@]2C[C@H]2COc2cccc(Cl)c2Cl)cn1 1875378383 BIYHNZWKGXFDFJ-WLRWDXFRSA-N 312.200 2.990 0 50 DFAA CC(C)/C=C/c1cn([C@@H]2CN(C(=O)C3CC(F)C3)C[C@@H]2C)nn1 1875323526 KUIGZLGOUPQYCG-CTBHFIOMSA-N 320.412 2.715 0 50 DFAA CO[C@@H](Cn1c([C@@H]2CCCO2)nnc1N(C)CC1CC1)C(C)C 888100914 ABBYHWYCCDFIJY-GJZGRUSLSA-N 322.453 2.647 0 50 DFAA CNc1cc(N2CCC[C@H](Oc3ccccc3OC)C2)ncn1 893841944 LVTYRYAIVVTYPK-ZDUSSCGKSA-N 314.389 2.575 0 50 DFAA O=C(N[C@H]1CCOC12CCCCC2)N[C@@H]1C[C@H]1c1ccco1 895397447 WVLPYQHSHLTBHZ-NFAWXSAZSA-N 304.390 2.927 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@]1(C)C(=O)O 630307012 KOHIJANPDYPAPM-ZHSDAYTOSA-N 321.339 2.924 0 50 DFAA CCc1ncc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)s1 669435233 YZJPGECINDRTRE-LLVKDONJSA-N 316.382 2.924 0 50 DFAA C[C@H](C(=O)N[C@H]1CCO[C@@H]1c1cccnc1)c1cccs1 275503446 WBTDLOIDPIJXMX-CORIIIEPSA-N 302.399 2.893 0 50 DFAA Cc1cc(O)nc([C@@H](C)S(=O)(=O)c2ccc(C)c(C)c2)n1 276932923 RDPKMUMFCDJERH-GFCCVEGCSA-N 306.387 2.642 0 50 DFAA Cc1cc(O)nc([C@H](C)S(=O)(=O)c2ccc(C)c(C)c2)n1 276932927 RDPKMUMFCDJERH-LBPRGKRZSA-N 306.387 2.642 0 50 DFAA CC1(C)[C@H]2CC=C(COC(=O)c3cc(C(N)=O)cs3)[C@@H]1C2 170593100 JIGYONZERPYOND-RYUDHWBXSA-N 305.399 2.996 0 50 DFAA CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C)cc1 170616594 UKZCWVYGLCJCDD-CZUORRHYSA-N 320.433 2.705 0 50 DFAA O=C(Nc1cc(F)ccc1Oc1ccccc1)[C@H]1CNCCO1 187530864 QNPDQIWRVHQYBQ-MRXNPFEDSA-N 316.332 2.545 0 50 DFAA CC(=O)N/C(=C\c1cccs1)C(=O)OCc1nc(C)c(C)o1 585087363 KWVNSXWJUFSLTJ-QPEQYQDCSA-N 320.370 2.573 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)Nc1cc(O)c(F)cc1F 585088177 NRZOXZUSNQNENP-UHFFFAOYSA-N 316.304 2.524 0 50 DFAA CCC[C@@]1(COC)CCCN1C(=O)NCc1c(C)noc1C 193547991 ZWOGDPCVACBAGI-INIZCTEOSA-N 309.410 2.782 0 50 DFAA O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)c1cc(C2CC2)on1 653332656 GNYIVPNZGRLHGR-OLZOCXBDSA-N 312.325 2.595 0 50 DFAA COc1ccccc1OCCN1CCC(c2ccnn2C)CC1 195504101 YTCPRQAHEOQCEU-UHFFFAOYSA-N 315.417 2.687 0 50 DFAA Cc1nc(N)nc(N2CCC[C@H]2c2nc(C(C)C)no2)c1Cl 1529169342 WNJORXXKOYLGFC-VIFPVBQESA-N 322.800 2.869 0 50 DFAA O=C(c1ccccc1-c1ccccc1F)N1C[C@H](O)[C@@H](F)C1 1616122580 CIRJVUIELQNIDI-HOTGVXAUSA-N 303.308 2.648 0 50 DFAA CN(C)CCN(C[C@H]1CCOC(C)(C)C1)C(=O)c1cccs1 12384397 SZRBNPZUZWRXPI-AWEZNQCLSA-N 324.490 2.957 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(N)=O)cc1C 13327220 LXBRVNKBIZQZSN-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA CC[C@@H](C)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 19499924 YHFRPJSNJODYKE-CQSZACIVSA-N 322.449 2.629 0 50 DFAA Cc1nccc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)n1 1857730305 QCQJTXUBDJWGQQ-AWEZNQCLSA-N 314.389 2.549 0 50 DFAA Cc1cc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)ccc1F 1857741528 XAYZXCIRTJDGFA-QFHJOOASSA-N 318.436 2.675 0 50 DFAA O=C(O)C[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCC2 314506628 VGUUWWLAHXUBKO-MRXNPFEDSA-N 301.386 2.574 0 50 DFAA O=C(NC1(CC(F)(F)F)CC1)c1coc(-c2cccnc2)n1 606444660 GAJGEINGKNBOTK-UHFFFAOYSA-N 311.263 2.951 0 50 DFAA Cc1ccc(OCc2ccc(C(=O)N3CC[C@@H](N)C3)o2)c(C)c1 237791616 HDBSESKCKNWWAG-CQSZACIVSA-N 314.385 2.649 0 50 DFAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCc2ccon2)cc1 818024922 VMSLTAYWOCBFRI-SJORKVTESA-N 302.374 2.555 0 50 DFAA COc1ccc(NC(=O)Nc2cnn(C3CCC3)c2)c(OC)n1 930004156 AUEUWKOQJLRRHA-UHFFFAOYSA-N 317.349 2.664 0 50 DFAA O=C(NCc1ccn(C2CCCC2)n1)c1ccnn1C1CCC1 934962510 NHVLCGRZVQSEGC-UHFFFAOYSA-N 313.405 2.850 0 50 DFAA COc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1 4511390 GXFADDLMOWOAMI-UHFFFAOYSA-N 323.381 2.847 0 50 DFAA Cc1cc(O[C@@H](C)C(=O)O)c2c3c(c(=O)oc2c1)CCCC3 134418 OSMQHNUQCQAYSP-JTQLQIEISA-N 302.326 2.832 0 50 DFAA CN(C)CC(=O)N1CCc2ccccc2[C@@H](c2ccccc2)C1 375573 FTLHNJZHQOKKGP-LJQANCHMSA-N 308.425 2.765 0 50 DFAA COC(=O)Cc1ccc(NC(=S)N2CCCC[C@@H]2C)cc1 613395 QTQDFLDLDOQCBZ-LBPRGKRZSA-N 306.431 2.973 0 50 DFAA CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1C 620738 ADWUMUBDFDFWKG-UHFFFAOYSA-N 310.448 2.504 0 50 DFAA CC(=O)c1ccccc1OC[C@@H](O)Cn1cnc2ccccc21 810208 AXGSMDJKNBOFJL-AWEZNQCLSA-N 310.353 2.679 0 50 DFAA CCN(CC)CCOC(=O)c1ccccc1Br 1755101 WPZPFFHVCJCRKE-UHFFFAOYSA-N 300.196 2.948 0 50 DFAA C=Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 2880687 MQYZPMWNNJPQIA-UHFFFAOYSA-N 306.321 2.564 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(Cc3nc(-c4ccco4)no3)C[C@H]21 2356167640 WSOALAKWUPZZQE-AHIWAGSCSA-N 317.389 2.703 0 50 DFAA CC(=O)Nc1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 8992451 QDKYOGQWHAEXNZ-UHFFFAOYSA-N 311.341 2.856 0 50 DFAA CC(=O)Oc1c(C)cc(CN[C@H](C)Cc2cc(C)n[nH]2)cc1C 55099572 SMWHWFMSRGVECU-CYBMUJFWSA-N 315.417 2.981 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 246802516 BGJAKLNNECPBCC-JWURUJNWSA-N 308.422 2.689 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)CC(=O)O 59723800 IJMMECIIPUTJIH-QWHCGFSZSA-N 315.410 2.686 0 50 DFAA COc1cc(-c2noc(CCCc3ncc(C)o3)n2)ccn1 351053301 DLDFBIDHNZTHHN-UHFFFAOYSA-N 300.318 2.612 0 50 DFAA COc1ccc(NC(=O)CCN2CCO[C@@H]3CCCC[C@H]32)cc1 230133456 IAYPGHUYHKZSQG-IAGOWNOFSA-N 318.417 2.667 0 50 DFAA CC[C@H](NC(=O)c1occc1C)c1ccc(S(C)(=O)=O)cc1 67541857 CTQXESPSQNIANW-AWEZNQCLSA-N 321.398 2.873 0 50 DFAA COc1ccccc1OCCN1CCN(c2ccccc2)CC1 54956621 KRMCDFSQQNVCJH-UHFFFAOYSA-N 312.413 2.896 0 50 DFAA OCc1cn([C@@H]2CCCN(CCC3CCCCCC3)C2)nn1 329151752 BAAPRXZUDQZHOX-QGZVFWFLSA-N 306.454 2.768 0 50 DFAA CC(C)(C)n1cc(CNCc2ccc([Si](C)(C)C)cc2)nn1 253431749 XJGLIEZUEJMPSF-UHFFFAOYSA-N 316.525 2.868 0 50 DFAA O=C1N(CC2CC2)CCC[C@@]12CCN(c1ncccc1Cl)C2 72408420 DEEWFWQZGSGKSN-KRWDZBQOSA-N 319.836 2.964 0 50 DFAA COCCC[C@@H]1CCCCN1S(=O)(=O)c1ccsc1 77376228 VKVYLZNISTXBPZ-LBPRGKRZSA-N 303.449 2.718 0 50 DFAA CC(C)[C@H]1N(C(=O)c2cn(CC3CC3)nn2)CC12CCCC2 333306499 CVVBXLWVWPAKOM-OAHLLOKOSA-N 302.422 2.729 0 50 DFAA O=C1OCCN1c1cccc(-n2ccnc2-c2ccncc2)c1 77517636 DHLPYZIQAHUKGI-UHFFFAOYSA-N 306.325 2.891 0 50 DFAA CN1CCN(C(=O)c2cccc(C(=O)O)c2)[C@@H](c2ccccc2)C1 261616077 BREUEVOUJXBRGD-QGZVFWFLSA-N 324.380 2.514 0 50 DFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1 34685246 PKHHJECXXHOADW-DLBZAZTESA-N 306.365 2.945 0 50 DFAA biogenic O=C(O)CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 237952420 DCNAXGMZMYXAKC-KVEVGEHQSA-N 305.349 2.942 0 50 DFAA CC[C@@](CNC(=O)[C@H]1Cc2ccccc21)(C(=O)O)c1ccccc1 262985489 LHROAGQLVWCIOV-PXNSSMCTSA-N 323.392 2.875 0 50 DFAA Cc1cc(C)n(Cc2ccc(NC(=O)[C@H]3CC[C@@H](N)C3)cc2)n1 72422289 GNNJMABKMUGDIH-JKSUJKDBSA-N 312.417 2.614 0 50 DFAA Cc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1Cl 286142663 GMBHBCKNYFCMGD-NWANDNLSSA-N 323.820 2.650 0 50 DFAA CCOc1ccc(Cc2nnc(S)n2C[C@@H]2CCCO2)cc1 17055046 NASFPDFIWZUXBG-AWEZNQCLSA-N 319.430 2.735 0 50 DFAA Cn1ccnc1[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1 44858332 JTJWSFMSHUCUKC-MRXNPFEDSA-N 321.384 2.540 0 50 DFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CCC(F)(F)F)C1 223851405 KXKQCQMYRPZPPH-CQSZACIVSA-N 301.308 2.757 0 50 DFAA O=C(CSc1ccncc1)N[C@@H]1COC2(CCCCC2)C1 223576993 MODKJOLKAUOROJ-ZDUSSCGKSA-N 306.431 2.782 0 50 DFAA Nc1ncnc2cc(C(=O)NC[C@H]3CCCCC3(F)F)ccc12 615474546 XBCZASXQHQPVAE-LLVKDONJSA-N 320.343 2.767 0 50 DFAA CCN(Cc1ccccc1O[C@@H](C)C(=O)O)CC(F)(F)F 223232855 JSMGBIFZSICKLL-JTQLQIEISA-N 305.296 2.923 0 50 DFAA Cc1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)no1 46501196 ZJIIFSGBDHDZTB-CQSZACIVSA-N 302.330 2.793 0 50 DFAA CCOc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1C 95383501 PZYZFFNCOOHDJI-SFHVURJKSA-N 324.424 2.758 0 50 DFAA CN(C)CCN(C=O)C1c2ccccc2CCc2ccccc21 96028153 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Cc1cc(-c2noc([C@H]3CCOC4(CCC4)C3)n2)cc(=N)[nH]1 1875286357 RMZMLSQSHLNDOD-NSHDSACASA-N 300.362 2.669 0 50 DFAA Cc1cc(C(=O)N2CCCc3nc(Br)ccc32)no1 1332538127 DMZOBIXIVFOAOR-UHFFFAOYSA-N 322.162 2.734 0 50 DFAA COCc1nc([C@@H]2CCCCN2C(=O)c2oc(C)cc2C)n[nH]1 408473682 AVCDYQNBAGIHFG-LBPRGKRZSA-N 318.377 2.528 0 50 DFAA CCN1CC[C@H](NCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 221888639 WVHQVHABHLBNEB-HOCLYGCPSA-N 306.450 2.566 0 50 DFAA COc1ccc2c(c1)[C@H](C(=O)N[C@H](C)c1cn(C)nc1C)CC2 277239799 LPNIEERXGMJJFK-IAQYHMDHSA-N 313.401 2.644 0 50 DFAA COc1cc2ncc(=O)n(CCc3cccs3)c2cc1OC 170087048 DYQAKIONQDPGPH-UHFFFAOYSA-N 316.382 2.718 0 50 DFAA CC(C)Cn1nccc1C(=O)N1CCC(C)(N2CCCC2)CC1 633946957 AABMBDBASMWUPG-UHFFFAOYSA-N 318.465 2.630 0 50 DFAA CCNC(=O)N(C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 585138158 SAMOUYRZJJDPRV-UHFFFAOYSA-N 300.284 2.743 0 50 DFAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc2ccccc2c1 643847651 LSYBMKOSMYSNMV-GOSISDBHSA-N 313.353 2.546 0 50 DFAA COC(=O)c1cnc([C@H]2CCCN(Cc3ccn(C)c3)C2)s1 597251206 BTQTXBLOXDWZOO-ZDUSSCGKSA-N 319.430 2.648 0 50 DFAA C[C@]1(c2ccccc2)NC(=O)N(c2nc(C3CC3)cs2)C1=O 761029600 CQEMABZYOHPXCG-MRXNPFEDSA-N 313.382 2.992 0 50 DFAA Cc1cccc(CN(C)CN2C(=O)C(=O)c3ccccc32)c1C 793541387 CTTXRJMEUJWROD-UHFFFAOYSA-N 308.381 2.922 0 50 DFAA COC[C@H](C)N1C(=O)N[C@H]2C[C@@]1(C)Oc1c(F)cc(F)cc12 1615613033 PBSCAAXRRGYEBI-KKUKJKQGSA-N 312.316 2.565 0 50 DFAA C[C@@H]1CN(C(=O)c2c(N)cccc2F)C[C@H](CC(F)(F)F)O1 1615057624 VEVDSKHQEKSDJH-BDAKNGLRSA-N 320.286 2.590 0 50 DFAA O=C(Nc1ccc(Cl)c(Cl)c1)N1C[C@H]2C[C@@H](O)[C@H]2C1 1772807445 WRPVOMBKWIUJNN-VFWDIBGWSA-N 301.173 2.838 0 50 DFAA COc1ccccc1-c1c(C)nn2c(=O)c3c([nH]c12)CCCC3 5042451 XKTYOOXXNMFZOL-UHFFFAOYSA-N 309.369 2.885 0 50 DFAA O=C(COc1ccccc1Cl)Nc1ccc(O)cc1C(=O)O 5946089 ZPOSXRZXXBBNNN-UHFFFAOYSA-N 321.716 2.761 0 50 DFAA CSCC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 14981733 BUDZHIQECIAJKE-NSHDSACASA-N 300.374 2.731 0 50 DFAA c1ccc(-c2nc(-c3nccn3CC[C@H]3CNCCO3)co2)cc1 1857699508 WFUNGTUBLFSGNJ-HNNXBMFYSA-N 324.384 2.584 0 50 DFAA Cc1c(CNC(=O)[C@@H]2CCn3nccc3C2)oc2ccccc12 1857732641 ZAECELDAIYMFDV-CYBMUJFWSA-N 309.369 2.817 0 50 DFAA CC(C)C[C@H](NC(=O)c1ccc(F)c2ccncc12)C(=O)O 659761957 MZLXYTACOGBCCK-AWEZNQCLSA-N 304.321 2.603 0 50 DFAA COc1cc(C(=O)Nc2ccc(CN3CCCC3)cc2)on1 138506687 HDHYFWFZKDUIIZ-UHFFFAOYSA-N 301.346 2.531 0 50 DFAA CN(C)CCCCNC(=O)Nc1nc(-c2cccnc2)cs1 225519791 LKULLPNFKANCSF-UHFFFAOYSA-N 319.434 2.668 0 50 DFAA C[C@@H](NC(=O)c1cc(F)cc2cccnc12)C1CCOCC1 119647515 VQZZPUQXCSDRBR-LLVKDONJSA-N 302.349 2.919 0 50 DFAA Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc(C)c1OC(F)F 341790133 MVGDUTCLTPAWGG-CHWSQXEVSA-N 313.344 2.890 0 50 DFAA C[C@@H](NC(=O)N1CCC[C@@](C)(O)CC1)c1cccc(C#N)c1 390833726 MANBKYRUYDSJJB-CXAGYDPISA-N 301.390 2.566 0 50 DFAA CCn1ccnc1CNCCNc1ccc(C(F)(F)F)cn1 1204103578 KAHWKDQCAXRRSA-UHFFFAOYSA-N 313.327 2.519 0 50 DFAA CC(C)[C@@H](NCc1c(F)cncc1F)c1nnc2ccccn12 930236002 HGZKJEGIMRSYRQ-OAHLLOKOSA-N 317.343 2.889 0 50 DFAA O=C1N(Cc2ccccc2)CCC[C@@]12CCCN2Cc1cnc[nH]1 2100536873 CMIBOTOUBHCHPH-LJQANCHMSA-N 324.428 2.567 0 50 DFAA CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C1 2325764310 AXERRSJYUVYIOL-UKRRQHHQSA-N 303.406 2.701 0 50 DFAA C[C@]1(C(=O)O)CCCN1C(=O)c1cc(C(F)F)ccc1F 902114329 SMHCTJLRUFRMHE-CQSZACIVSA-N 301.264 2.843 0 50 DFAA CCCc1nnc(NC(=O)c2c(OC)cccc2OC)s1 148964 VBNWXLDMVYVFSH-UHFFFAOYSA-N 307.375 2.760 0 50 DFAA c1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1 426445 FZEOPLZOHPTAGZ-UHFFFAOYSA-N 302.341 2.823 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)CSc2ccc(C)cc2)C1 621674 KGESRECLOGIVIW-AWEZNQCLSA-N 321.442 2.889 0 50 DFAA CCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1 2999581 APBOHMWVYLIPFN-LGMDPLHJSA-N 324.380 2.602 0 50 DFAA O=C(Nc1nccs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 4520040 DZHRDBNQEYOOEJ-GFCCVEGCSA-N 317.370 2.513 0 50 DFAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1Cl 247705525 DFQZEXSRZOFQCM-FPMFFAJLSA-N 320.820 2.700 0 50 DFAA CN(CCc1ccccn1)[C@@H]1CCCN(c2ccccc2)C1=O 115570618 CINDNPZBGIZTGH-GOSISDBHSA-N 309.413 2.752 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(Cc3c(Cl)cncc3Cl)C[C@H]12 102006187 XQLJNLYTKJNCOS-RTCCRHLQSA-N 300.233 2.628 0 50 DFAA C[C@H]1C[C@H](C)CN(CCOc2ccc(CNN(C)C)cc2)C1 67612475 HWYXQONRPKTOFT-HOTGVXAUSA-N 305.466 2.610 0 50 DFAA O=C(COc1ccccc1Cl)Nc1cnc2n1CCCC2 67458365 VLJHMOSOQVIISR-UHFFFAOYSA-N 305.765 2.890 0 50 DFAA c1ccc(CCc2n[nH]c(-c3cccc(-n4cnnc4)c3)n2)cc1 65451879 DTBFWJFHFZAQAB-UHFFFAOYSA-N 316.368 2.838 0 50 DFAA O[C@@H]1CN(Cc2ccsc2)CC[C@H]1c1ccc2c(c1)OCO2 67755107 FJAULSZTEUJTBV-LSDHHAIUSA-N 317.410 2.827 0 50 DFAA Cn1nc(-c2ccco2)cc1NC(=O)c1cnn(C(C)(C)C)c1 252485736 HCMZSJHBWFBQLF-UHFFFAOYSA-N 313.361 2.884 0 50 DFAA COc1cccc(C2=NO[C@@H](C(=O)NCc3ccccc3)C2)c1 3957759 BFWUHZWSBYKMMJ-QGZVFWFLSA-N 310.353 2.505 0 50 DFAA biogenic COc1ccc(F)c(F)c1CN(C)CCc1c(C)n[nH]c1C 215403232 JGHQELWJDZGZCU-UHFFFAOYSA-N 309.360 2.988 0 50 DFAA COc1cccc(-c2cc(C(=O)NCc3cccnc3)on2)c1 6783084 VQFCDRAXPLPHTA-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA CSc1ccccc1CN1CCC(N2CCC[C@@H](O)C2)CC1 72474211 NAEAIXBBUKDQHW-QGZVFWFLSA-N 320.502 2.830 0 50 DFAA Cc1ccc(Cc2nc(CCNC(=O)OC(C)(C)C)no2)o1 495351709 HJYRFKASNQDZSL-UHFFFAOYSA-N 307.350 2.629 0 50 DFAA CC(C)CCC[C@@H]1CN(C(=O)c2c(O)cccc2O)CCO1 71748044 HEWOAHKLOGTKTF-CYBMUJFWSA-N 307.390 2.765 0 50 DFAA c1ccc(-c2noc(CCN3CCC[C@@H](c4ccn[nH]4)C3)n2)cc1 157610056 MYBQROZDNDIFNO-OAHLLOKOSA-N 323.400 2.882 0 50 DFAA O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@@H]1c1ccsc1 332903830 AKQILRSTLQAXND-DZGCQCFKSA-N 316.430 2.875 0 50 DFAA O=C(c1ccc(Cl)cc1O)N1CCC[C@H](c2ncc[nH]2)C1 77407068 DOJLDOAMRMRATB-JTQLQIEISA-N 305.765 2.789 0 50 DFAA O=C(O)[C@H]1CCO[C@H]1C1CCN(C(=O)CC2=CCCCC2)CC1 263097529 FDIJWTVBKUAJRE-RDJZCZTQSA-N 321.417 2.605 0 50 DFAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC1CCNCC1 237535634 UNJFQGGCHQLDJZ-CLCXKQKWSA-N 316.445 2.753 0 50 DFAA CNC(=O)C[C@H](C)N(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 71551786 UDTJQHJQVHKIQJ-QMMMGPOBSA-N 317.216 2.898 0 50 DFAA O=C(c1ccc2ccccc2c1O)N1CCCn2cncc2C1 72169710 SQPKJZCAGVARFY-UHFFFAOYSA-N 307.353 2.788 0 50 DFAA O=C(NCC1(N2CCCCC2)CCCCC1)C(=O)c1ccc[nH]1 242263280 XXPZHDXNWNKNKD-UHFFFAOYSA-N 317.433 2.502 0 50 DFAA CC1(C)CN(C(=O)NCC2(c3ccccc3)CC2)CC[C@H]1O 287070366 LAQNKATVINNVKQ-OAHLLOKOSA-N 302.418 2.521 0 50 DFAA NC(=O)c1sc2nc(-c3cccnc3)cc(C(F)F)c2c1N 44892524 XTYBDGAMIAHCTB-UHFFFAOYSA-N 320.324 2.977 0 50 DFAA COCCN1C[C@H](Cc2cccc(OC(F)(F)F)c2)CC1=O 223525741 UBCHRSCQPZXTGW-GFCCVEGCSA-N 317.307 2.623 0 50 DFAA COc1cc(F)c(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1F 162586599 VMCXCUSLSNBYPC-QMMMGPOBSA-N 324.331 2.758 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)N3[C@H]4CC[C@@H]3CNC4)c2c1 95504524 UZRWRVHALXMUIW-GASCZTMLSA-N 309.413 2.736 0 50 DFAA COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C)C2)cc1C(=O)O 237297143 AJACRCFPSJLABV-DGCLKSJQSA-N 305.374 2.836 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(OC(F)F)cc1 249982843 HFXMAWWKMBRQBS-RBJBARPLSA-N 323.295 2.749 0 50 DFAA Cc1scc(CCNC(=O)CCCN2CCCCC2=O)c1C 244701217 KCGNEKVSAAVSNO-UHFFFAOYSA-N 322.474 2.816 0 50 DFAA C[C@@H](C(=O)NC1CCCC1)N(C)Cc1ccc2nsnc2c1 252501969 UMSBFQVYBABASZ-NSHDSACASA-N 318.446 2.570 0 50 DFAA c1nc2c(n1[C@@H]1CCN(c3nc(C4CC4)ns3)C1)CCCC2 299740205 XAFBEBITJJOPAB-GFCCVEGCSA-N 315.446 2.942 0 50 DFAA Fc1ccc(Br)c2c1CN(Cc1c[nH]cn1)CC2 184329901 HBOOTSSBOFNJKY-UHFFFAOYSA-N 310.170 2.870 0 50 DFAA CC[C@@H](CN(C)C)NC(=O)N(Cc1cccc(OC)c1)C1CC1 534635526 FHBNTOIEPBOKST-HNNXBMFYSA-N 319.449 2.709 0 50 DFAA O=C(O)c1ccc(F)c2c1CN(CCC[C@@H]1CCOC1)CC2 629368354 WCHDLWJJCLDPKP-GFCCVEGCSA-N 307.365 2.699 0 50 DFAA O[C@H]1CN(Cc2cccc(Cn3cccn3)c2)Cc2ccccc21 828637900 NLENVGLOCHIPIG-FQEVSTJZSA-N 319.408 2.981 0 50 DFAA CCCc1nc(=NCCn2cncc2-c2ccccc2)s[nH]1 585139194 OZYHEYBUCZMLPB-UHFFFAOYSA-N 313.430 2.888 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 268950689 SNVRPHQBVZTFHO-LLVKDONJSA-N 307.777 2.695 0 50 DFAA COc1cc(Cl)cc(CN2CCO[C@H](C3CC3)C2)c1OC 670452044 BBIWSVURBSTHDR-HNNXBMFYSA-N 311.809 2.968 0 50 DFAA C[C@]1(O)CCCN(C(=O)NCc2cc3ccccc3s2)C1 270897719 IUZPGQOYWKIBBC-INIZCTEOSA-N 304.415 2.958 0 50 DFAA COc1ccc(CCc2nnc([C@H]3CCCOC3)o2)cc1F 886048349 XWQXFOMINRPLRB-LBPRGKRZSA-N 306.337 2.897 0 50 DFAA Brc1cccnc1-c1nnc([C@@H]2CCCOC2)o1 886084665 WUGKREKLUOQBOD-MRVPVSSYSA-N 310.151 2.788 0 50 DFAA O[C@H](CN1CCO[C@H](c2ccc(Cl)cc2)C1)C(F)(F)F 248447923 DIDPEIOWZKXWQP-NWDGAFQWSA-N 309.715 2.637 0 50 DFAA CCc1ccc(Br)c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 899833337 MSPBVIFZAGHIEW-BDAKNGLRSA-N 312.163 2.671 0 50 DFAA OCc1cc(C(F)(F)F)ccc1I 59796811 YSHVUTKATXCKBP-UHFFFAOYSA-N 302.033 2.802 0 50 DFAA in-vitro CCOC[C@@H]1CCN(c2cncc(OCC3CCCC3)n2)C1 185519115 CDTASXGFJIXWMW-OAHLLOKOSA-N 305.422 2.908 0 50 DFAA CSC[C@H](C)C(=O)N[C@H](C)c1cc(Br)no1 585130946 GTWPRXIZTTYWPZ-NKWVEPMBSA-N 307.213 2.613 0 50 DFAA CN(CCc1cnccn1)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 645049153 BTIOUZLGSJRHIY-LSDHHAIUSA-N 302.422 2.629 0 50 DFAA Cc1nc(CN[C@@H]2CCCC[C@@H]2OCc2ccccc2)no1 195570314 RWBYFJMBXHWAMN-CVEARBPZSA-N 301.390 2.996 0 50 DFAA C/C=C/CN1CCC[C@H](CNC(=O)c2cccc(OC)c2F)C1 1506422260 QUNDQXWEXSNKNW-RDFMZFSFSA-N 320.408 2.852 0 50 DFAA CCCOc1ccccc1-c1n[nH]c(SCC(=O)OCC)n1 5063544 NFYQTLXKYBIEEZ-UHFFFAOYSA-N 321.402 2.916 0 50 DFAA c1coc(CCNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 19741346 HCFKZGZYIDWQAZ-UHFFFAOYSA-N 311.341 2.731 0 50 DFAA Cn1cc(-c2c[nH]cc2C(=O)NCc2ccc(Cl)cc2)cn1 426579069 WTOOOVAPIIWWHT-UHFFFAOYSA-N 314.776 2.999 0 50 DFAA CN(CCc1ccccc1C(=O)O)Cc1ccc2c(c1)OCO2 322359788 GSRFLZOHDJWTTP-UHFFFAOYSA-N 313.353 2.788 0 50 DFAA COc1cc2c(cc1OC)CCN(Cc1c(C)n[nH]c1C)CC2 352754753 JRILLYSKIGSYGA-UHFFFAOYSA-N 315.417 2.645 0 50 DFAA CC1(C)[C@H](CNC(=O)c2ccccc2CCC(=O)O)C1(F)F 909987004 YKZUAQRKTSXJFZ-LBPRGKRZSA-N 311.328 2.725 0 50 DFAA CNC[C@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 179020471 VDQXSHHETLTTAJ-SNVBAGLBSA-N 301.217 2.604 0 50 DFAA Cc1cc(=N[C@@H](C)c2ccc3nc(C4CC4)[nH]c3c2)[nH]c(=N)[nH]1 2325767410 LSPVAGXPYLXJII-JTQLQIEISA-N 308.389 2.546 0 50 DFAA CS(=O)(=O)[C@H]1C[C@H](CN=c2cc[nH]c3ccc(Cl)cc23)C1 2325807404 XWLLSUFJVSQYAO-UMSPYCQHSA-N 324.833 2.545 0 50 DFAA S=C(Cc1cccc(Br)c1)N1CCOCC1 392592 SDHWDXZJMQHXGW-UHFFFAOYSA-N 300.221 2.651 0 50 DFAA COc1ccccc1N1CCN(C2CCN(C(C)C)CC2)CC1 207672 MYNSDSVKRCTOAI-UHFFFAOYSA-N 317.477 2.690 0 50 DFAA COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1OC 1052497 JMEMTZYJXZKPRO-NWDGAFQWSA-N 307.346 2.533 0 50 DFAA O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnccn1 1056036 ABYQWJAEJVXQBO-UHFFFAOYSA-N 313.748 2.627 0 50 DFAA Cc1cc2cccc(C(=O)N3CCC[C@]34CCCNC4=O)c2o1 2356139890 LQDKMCNRTCLVTC-SFHVURJKSA-N 312.369 2.626 0 50 DFAA C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(N)=O 2760936 WNDVWARXHDXAJK-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA CO[C@H]1CCCN(Cc2ccc(F)c(-c3cnn(C)c3)c2)C1 2356170222 VTSYBMLHKHEKHC-HNNXBMFYSA-N 303.381 2.837 0 50 DFAA CN(C)Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1 3819893 SEKJSSBJKFLZIT-UHFFFAOYSA-N 320.396 2.508 0 50 DFAA in-vitro CCc1cc(C(=O)OC)c(NC(=O)CN2CCCCC2)s1 6726412 BXUMPHDBCBGEAT-UHFFFAOYSA-N 310.419 2.522 0 50 DFAA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 6728631 CQASBORKJLTOCB-KCJUWKMLSA-N 324.229 2.839 0 50 DFAA O=C(CC1CCCCC1)NCCCNC(=O)c1ccc(O)cc1 225535396 YLUISLZCOFWSEN-UHFFFAOYSA-N 318.417 2.599 0 50 DFAA COC[C@@H]1CN(Cc2nc3ccccc3nc2C)CC(C)(C)O1 343707973 KLCAHONCNIJQKY-AWEZNQCLSA-N 315.417 2.564 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 112511312 INKAXOUGBFGJSR-DGCLKSJQSA-N 314.351 2.834 0 50 DFAA COC[C@H]1CCCN(C(=O)N[C@H](C)CCc2ccc(O)cc2)C1 113585758 GOTFBZHMKMPYKO-ZBFHGGJFSA-N 320.433 2.781 0 50 DFAA COc1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 100512611 CENDRMDHKCMYQR-UHFFFAOYSA-N 324.336 2.505 0 50 DFAA CN1CCC(CCNC(=O)COc2cccc(Cl)c2)CC1 65362003 IMKBWHGHRPLURG-UHFFFAOYSA-N 310.825 2.567 0 50 DFAA CCN1CCCC[C@@H]1CNC(=O)NCCc1ccccc1F 111434341 ZDORCQDZBSMDNX-OAHLLOKOSA-N 307.413 2.542 0 50 DFAA O=C(NC[C@@H](O)c1ccccc1)c1ccc(Br)cc1 191825 YEDYXMUOPFFPBD-CQSZACIVSA-N 320.186 2.913 0 50 DFAA O=C(N[C@@H](CO)CC1CCC1)C1(Oc2ccc(Cl)cc2)CC1 355513667 STFPHKNYAOPTOG-CQSZACIVSA-N 323.820 2.919 0 50 DFAA O=C(NCC1(CO)CCC1)Nc1ccc(OC(F)F)cc1 183027232 OQZJXKDDBDQVPG-UHFFFAOYSA-N 300.305 2.572 0 50 DFAA CC(C)CN1CC[C@H](C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)C1 253418025 GEVZIWRUEJEWAV-IXDOHACOSA-N 310.482 2.506 0 50 DFAA Fc1cccc(CN2CCN(C(=S)NC3CCCC3)CC2)c1 13768494 MKHRRTZAVIQZPG-UHFFFAOYSA-N 321.465 2.760 0 50 DFAA CC(=O)N1c2ccccc2C[C@H]1c1nc(-c2ncoc2C)no1 373209094 JVJZZQOJJWBSRR-ZDUSSCGKSA-N 310.313 2.683 0 50 DFAA Cc1cnc(N2CCC[C@H](Cc3nnc4ccccn34)C2)nc1C 373345926 HCCIADHYGUKRAO-OAHLLOKOSA-N 322.416 2.595 0 50 DFAA CC(=O)Nc1cccc(Cn2ncc(Cl)c(Cl)c2=O)c1 131293123 SMYMSXZBHHDZMX-UHFFFAOYSA-N 312.156 2.557 0 50 DFAA CCCOc1ccccc1NC(=O)N1CC[S@](=O)CC[C@@H]1C 240902758 IVENALRXPRJWPL-WHEQGISXSA-N 324.446 2.850 0 50 DFAA O[C@H](C[C@@H]1COCCN1CCc1ccncc1)c1cccs1 241383209 MTIRBACQKRTCGZ-HZPDHXFCSA-N 318.442 2.510 0 50 DFAA Cc1nc(-c2cccc(C(=O)N3CC[C@@](F)(CO)C3)c2)cs1 338747999 LDJNYQQTPVMWPT-INIZCTEOSA-N 320.389 2.665 0 50 DFAA CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2sccc2Cl)C1 285372797 CGGKAVUZGVAZJM-ZJUUUORDSA-N 314.838 2.778 0 50 DFAA O=C1CCCc2c(OCc3nnnn3-c3ccccc3)cccc21 177611788 RICWXFYQLOAGHX-UHFFFAOYSA-N 320.352 2.760 0 50 DFAA O=C(Cc1ccc(F)cc1F)N1CCC[C@H](CN2CCCC2)C1 20855031 HPJKWIVXRPSVOP-CQSZACIVSA-N 322.399 2.842 0 50 DFAA O=C1NCc2c(NCc3cnc([C@@H]4CCCO4)s3)cccc21 290121651 MCKRVHVRSIGKGT-AWEZNQCLSA-N 315.398 2.850 0 50 DFAA COc1ccccc1NC(=O)c1cc2c([nH]c1=O)CC[C@@H](C)C2 49551561 PCGMBHJUYKMEGL-LLVKDONJSA-N 312.369 2.761 0 50 DFAA CC(C)c1nnsc1CNC(=O)[C@H]1Cc2ccccc2S1 426612660 KGNJTPROWQZGDJ-GFCCVEGCSA-N 319.455 2.995 0 50 DFAA OCC1(CO)[C@@H](c2ccccc2)CC(O)C[C@@H]1c1ccccc1 20601806 DNJNKPXCPVDDLW-RTBURBONSA-N 312.409 2.680 0 50 DFAA CC(=O)c1cc(C(=O)NCCCc2ccc(Cl)cc2)[nH]n1 97527290 JAQZUMBTNXIKRE-UHFFFAOYSA-N 305.765 2.628 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)N2CCC[C@H]3CCC[C@H]32)n1 230109693 RLSVRVMRULSGIV-NUEKZKHPSA-N 304.438 2.863 0 50 DFAA Cc1nccn1[C@H](C)C(=O)NC1(c2cc(F)ccc2F)CC1 426545483 UQVMAKWTMSBVQI-SNVBAGLBSA-N 305.328 2.836 0 50 DFAA COCCCN1CC2(CCC1=O)CCN(Cc1ccco1)CC2 91551517 FRVIVDJDDYBEPA-UHFFFAOYSA-N 320.433 2.521 0 50 DFAA Cc1ccsc1CN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2=O 92028860 NZUUAZJXNXDRFE-LSDHHAIUSA-N 304.459 2.889 0 50 DFAA C[C@H](c1ncnn1CCc1ccccc1)n1cc(Cl)cn1 95382926 USRQLEAKUIHPDS-GFCCVEGCSA-N 301.781 2.980 0 50 DFAA Cc1cc([C@@H]2CCCCN2C(=O)c2cc(C)c(C)[nH]c2=O)no1 91665018 BJFOWAMJQORFPK-HNNXBMFYSA-N 315.373 2.656 0 50 DFAA CCCn1cc(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)cn1 91563139 LWVZIROOLYVSJP-QGZVFWFLSA-N 314.433 2.521 0 50 DFAA c1ccc(Cc2noc(CCNc3nnc(C4CC4)o3)n2)cc1 95364399 PUGBGIMINGIFAP-UHFFFAOYSA-N 311.345 2.575 0 50 DFAA COC(=O)Cc1cccc(-c2ccc(C(=O)OC)c(F)c2)c1 97756952 QOSSEGZPZWRIHW-UHFFFAOYSA-N 302.301 2.995 0 50 DFAA C[C@]12C[C@H](O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 247656159 PIXFHVWJOVNKQK-HZYIBVPSSA-N 306.446 2.930 0 50 DFAA COCCc1noc(CN2CC[C@H](c3ccccc3Cl)C2)n1 244626777 FSOGXZIUMWSURS-LBPRGKRZSA-N 321.808 2.901 0 50 DFAA CCc1cccc(CC)c1NC(=O)CCN1CC[C@@H](OC)C1 252490651 KYLYHHMLNIADHM-MRXNPFEDSA-N 304.434 2.861 0 50 DFAA CCOC(=O)/C=C/c1ccc2c(c1)C=C(C(=O)OCC)CO2 601014577 ZLAKAQWULNLMPA-SOFGYWHQSA-N 302.326 2.602 0 50 DFAA Cc1ncc(C(=O)NC2(c3cccc(Cl)c3)CC2)c(O)n1 534650003 IZCGKFXQHNETCQ-UHFFFAOYSA-N 303.749 2.563 0 50 DFAA CC1(C)C[C@@H](O)CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 449618899 MKELFUVQDUYVLI-KRWDZBQOSA-N 317.408 2.994 0 50 DFAA O=C(O)C(=O)Nc1c(C(F)(F)F)cccc1C(F)(F)F 498051071 KAEQSSXKVXBORV-UHFFFAOYSA-N 301.142 2.747 0 50 DFAA COC(=O)c1cc(CN2C(=O)CC3(CCCC3)C2=O)c(C)s1 268085667 RCNIXEAGWKIPRH-UHFFFAOYSA-N 321.398 2.662 0 50 DFAA C[C@@H](C[S@@](C)=O)Nc1ccc(-c2ccccc2Cl)nn1 864091250 AIEMZSPBAKAHHF-WVDJIFEKSA-N 309.822 2.976 0 50 DFAA CC(C)(C)C1(NC(=O)NCc2nc(C(F)F)no2)CCC1 1875334934 KWKCGQVZCAEMDY-UHFFFAOYSA-N 302.325 2.775 0 50 DFAA Cc1cc(=N[C@@H](CCO)C2CC2)[nH]c(N(C)c2ccccc2)n1 1875361086 PMNICKNXZPUTPJ-INIZCTEOSA-N 312.417 2.548 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 873281404 IOZGWAFWIVBUMF-BONVTDFDSA-N 318.352 2.810 0 50 DFAA Cc1nnsc1[C@H](C)NCCc1nn(C)c2ccccc12 1875285068 BUALSNCGMLXLFQ-JTQLQIEISA-N 301.419 2.627 0 50 DFAA Cc1cccc(C)c1NC(=O)NC1CC(O)(C(F)(F)F)C1 952880009 AUMCMNCUSYRSQH-UHFFFAOYSA-N 302.296 2.881 0 50 DFAA O=C(CCc1cn[nH]c1)N[C@@H]1CCC[C@H]1OCc1ccccc1 952871701 BTKWCVPXZFEMFP-IAGOWNOFSA-N 313.401 2.596 0 50 DFAA CN(C)C(=O)Sc1cccc(NC(=O)C2(O)CC(C)(C)C2)c1 1775991304 JYYKJORJKJYCGU-UHFFFAOYSA-N 322.430 2.950 0 50 DFAA Cn1cncc1[C@@H]1C[C@H]1c1nc([C@H]2COc3ccccc3O2)no1 1775999301 IPWMYNIZBUXFJV-UEKVPHQBSA-N 324.340 2.587 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(Cl)cn1 275359297 AWLPIXXOWGWSCT-GXFFZTMASA-N 307.785 2.536 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1CNc1ccnc(C2CC2)n1 275407961 CXJXYDCUJOHSEA-XJKSGUPXSA-N 313.405 2.760 0 50 DFAA Cn1cc(CCc2nc(Cc3ccc(Cl)cc3)no2)cn1 109611268 PRNXUSOMLQDVNO-UHFFFAOYSA-N 302.765 2.833 0 50 DFAA Cc1c[nH]nc1C(=O)N1CC(OCc2cccc3ccccc23)C1 669607139 ZOFASTLDPTXULR-UHFFFAOYSA-N 321.380 2.913 0 50 DFAA Cc1cc(C)n(CCN2CCC(Oc3ncccc3F)CC2)n1 278285205 KKQXDAUTDWVMGL-UHFFFAOYSA-N 318.396 2.577 0 50 DFAA CC[C@]1(CO)CCCN(C(=O)CCc2ccccc2OC)C1 170601367 LOZBUTPOZWDRPR-SFHVURJKSA-N 305.418 2.639 0 50 DFAA COCc1ncc2c(n1)CCN(CCc1ccc(F)c(F)c1)C2 639912081 KIKOQGMCBWSYSM-UHFFFAOYSA-N 319.355 2.502 0 50 DFAA C[C@@]1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)CCOC1 585124540 HKHJZJQCWRIXRF-GOSISDBHSA-N 322.368 2.990 0 50 DFAA O=C(C[C@H]1NC(=O)c2ccccc21)NCC1(c2ccccc2)CC1 585131906 JOXCCHNRMIKMQN-QGZVFWFLSA-N 320.392 2.709 0 50 DFAA O=S(=O)(NC[C@@H]1Cc2ccccc21)c1ccc2c(c1)CCC2 193983335 GGLKUXATFYRPTG-INIZCTEOSA-N 313.422 2.794 0 50 DFAA C[C@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)cn2)CC1 194884226 FNKMZKVNZCXOMT-AWEZNQCLSA-N 318.421 2.572 0 50 DFAA Cc1cnn(CC(C)C)c1NC(=O)CCC(=O)NC1CCCC1 1506396317 GMNQUSYEPXNHOQ-UHFFFAOYSA-N 320.437 2.625 0 50 DFAA CNCc1nnc(N2CCC[C@@H](c3ccc(Cl)cc3)C2)o1 1772710388 USBMHCMCZQNZOQ-GFCCVEGCSA-N 306.797 2.826 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1 5862887 ZYBWYFVUVSNISR-JTQLQIEISA-N 318.760 2.845 0 50 DFAA COC[C@H](C)NC(=O)CCc1nnc(CCC2CCCCC2)o1 12385685 YEUDZVVNHVOLFY-ZDUSSCGKSA-N 323.437 2.666 0 50 DFAA CN1CCC(N2CCC[C@H](NC(=O)CC3=CCCCC3)C2)CC1 12708278 ICNROTYRCRAHFS-KRWDZBQOSA-N 319.493 2.552 0 50 DFAA COc1ccccc1CN1CCN(C(=O)c2cccs2)CC1 19831418 XNFUTTJOPVPKJC-UHFFFAOYSA-N 316.426 2.715 0 50 DFAA CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)OC)ccc12 453951 PZDNOCKWPMEYFI-NSHDSACASA-N 304.342 2.994 0 50 DFAA C[C@@H](c1ccccc1F)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229922798 XIIUMJVFILEFTG-NWDGAFQWSA-N 316.380 2.588 0 50 DFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCCC[C@@H]1C(F)F 332624925 DDUGAXQUKBSQJT-CYBMUJFWSA-N 320.343 2.591 0 50 DFAA CO[C@@]1(C)C[C@H]1NC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 662087538 BWJHKPKOAFGPGO-FMKPAKJESA-N 324.808 2.600 0 50 DFAA COc1c(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)nn1C 134119968 VWYRZQPDPWOEIX-MNOVXSKESA-N 305.344 2.948 0 50 DFAA O=C(c1cccc2c1OCO2)N1CC[C@@H](Cc2ccncc2)C1 374679188 MWUMKPRGKLQIBK-AWEZNQCLSA-N 310.353 2.515 0 50 DFAA CCn1ccnc1CNc1nccn2nc(C(F)(F)F)cc12 385324564 JFNYWIPOZVNPRF-UHFFFAOYSA-N 310.283 2.577 0 50 DFAA Cn1c(CN=c2[nH]c3cccc(F)c3s2)nc2cccnc21 2325878908 AAONAIUTZVNKDU-UHFFFAOYSA-N 313.361 2.751 0 50 DFAA C[C@H](Cc1cccnc1)NC[C@@H](O)COc1ccc(Cl)cc1 934237956 FOXZRRZWKSKJMJ-CZUORRHYSA-N 320.820 2.696 0 50 DFAA CC(C)(C)n1nccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 248701159 FHQWHGMEOCPIQL-MRVWCRGKSA-N 318.421 2.717 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 139384 QFRSUAYVIOTVCF-UHFFFAOYSA-N 305.359 2.893 0 50 DFAA Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1C 255744 DUWGMLBXRMUSFM-CYBMUJFWSA-N 322.364 2.927 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)NCc1nc(-c2ccccc2)no1 1061950 OVJHZLWMGSWTAW-CYBMUJFWSA-N 323.352 2.820 0 50 DFAA O=C(NCCC1=CCCCC1)C(=O)NCc1ccccc1Cl 2869086 VXXBQNPNWAKORA-UHFFFAOYSA-N 320.820 2.963 0 50 DFAA aggregator Cc1noc(C)c1CN1CCC[C@@]12CCCN(C(C)C)C2=O 2356164304 NXQHYVJIERGUQQ-KRWDZBQOSA-N 305.422 2.657 0 50 DFAA CCOc1cc(S(=O)(=O)n2ccnc2CC)ccc1Cl 4385840 JFVWODRZOYUMFU-UHFFFAOYSA-N 314.794 2.735 0 50 DFAA Cc1ccc(-c2nc(CNC(=O)[C@H]3CCCO3)cs2)cc1 6699968 JKCXEBQFRUJQEZ-CQSZACIVSA-N 302.399 2.914 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccn1 8715879 ALUGCYSTRXFOGY-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA COc1ccc2nc(CCN(C)c3nc(C)cc(C)n3)[nH]c2c1 67727284 SWFWQAOGNLTZGO-UHFFFAOYSA-N 311.389 2.657 0 50 DFAA O=C(Nc1cccc(-c2cnn[nH]2)c1)c1n[nH]c2ccccc12 346884632 VCNSIEVZZANZEI-UHFFFAOYSA-N 304.313 2.600 0 50 DFAA CCn1cnc2c(Oc3ccc(-n4cccn4)cc3)ncnc21 348232736 ZQUAWSBHVFCHLJ-UHFFFAOYSA-N 306.329 2.824 0 50 DFAA Cc1ccc(N2CC[C@@H](N(C)CCC3CCOCC3)C2=O)cc1 120597523 AZBJPSHYOPALJB-GOSISDBHSA-N 316.445 2.849 0 50 DFAA C[C@@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@@H](C)S1 230275593 DPSOSDJIIVAFLP-NFAWXSAZSA-N 306.431 2.838 0 50 DFAA O=C(CCc1cscn1)Nc1ccc2nc(S)[nH]c2c1 121757782 RYFCLQIRQZXMDH-UHFFFAOYSA-N 304.400 2.879 0 50 DFAA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc(CO)o1 65423109 WZFSACSSRRBZLD-HNNXBMFYSA-N 303.406 2.722 0 50 DFAA COCCOCC(=O)Nc1cc2sc(C)nc2cc1Cl 253429869 IRMJGMAOEPVDKM-UHFFFAOYSA-N 314.794 2.860 0 50 DFAA COc1ccccc1C(=O)n1nc(-c2ccco2)nc1SC 619673 FLJAMCIHLYTQCT-UHFFFAOYSA-N 315.354 2.957 0 50 DFAA Nc1c(F)cc(Cl)cc1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 253408073 UPDNSTSGPKISOE-MFKMUULPSA-N 312.772 2.749 0 50 DFAA Cc1cn(-c2ccc(F)cc2)nc1C(=O)NC1(C)CCOCC1 282265280 HKPDYPRLQBYLML-UHFFFAOYSA-N 317.364 2.619 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C(=O)N1CCCO1 155682716 ULSLXHQVCLWGKS-STQMWFEESA-N 312.410 2.624 0 50 DFAA COc1cc(Cl)ccc1CNC(=O)[C@@H]1C[C@H]1C1CCNCC1 368104240 DCDWWMIGFHTFTK-LSDHHAIUSA-N 322.836 2.601 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 156450438 VBANRYOBOFSYGZ-DZGCQCFKSA-N 319.424 2.625 0 50 DFAA Cc1nnc2ccc(NC[C@@H]3C[C@]34CCCc3ccccc34)nn12 370473061 RHXNJBKCUFGMBH-HNAYVOBHSA-N 319.412 3.139 0 50 DFAA COc1cccc(CCC(=O)N2CCC[C@H]2c2ncc[nH]2)c1F 370576631 UWBBSJPTXXDPSK-ZDUSSCGKSA-N 317.364 2.854 0 50 DFAA Cc1cnc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc1N 71751827 DNHXMYCBHVGAPF-CYBMUJFWSA-N 304.781 2.599 0 50 DFAA O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1ccncc1O 215801181 ZMHRCRUFORMBBT-KRWDZBQOSA-N 323.327 2.841 0 50 DFAA CCc1noc(C)c1NC(=O)Nc1cccc2c1OCCO2 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Cc1nc[nH]c1CNC(=O)C1(N2CCCCC2)CCCCC1 426534325 AZKUMRWOZJNICD-UHFFFAOYSA-N 304.438 2.523 0 50 DFAA O=C(NCC12CCCN1CCC2)c1ccc([C@H]2CCCO2)s1 91694059 NFZYVJCBLWEZRQ-CYBMUJFWSA-N 320.458 2.958 0 50 DFAA COCc1ccsc1C(=O)N1CCC[C@@H](c2nc(C)no2)C1 180833502 GBIXFHDGQUFJAW-LLVKDONJSA-N 321.402 2.606 0 50 DFAA CC[C@@H](O)Cn1nc(C2CC2)nc1CCN1CCCCCCC1 96148356 PGUJNGBAAJFPKL-MRXNPFEDSA-N 320.481 2.735 0 50 DFAA CN(Cc1cccc(C(F)(F)F)c1)c1nc(C(N)=O)cs1 432334350 GFZBJLFZGRWMEJ-UHFFFAOYSA-N 315.320 2.897 0 50 DFAA O=C(CCc1ccccn1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244873196 WLPKJIWLVBSEGD-QEORTHHSSA-N 316.426 2.704 0 50 DFAA CN1CCc2ncnc(N3CCC[C@H]3c3cccc(F)c3)c2C1 248098374 YYDYXTOSFXPDGH-KRWDZBQOSA-N 312.392 2.945 0 50 DFAA CCc1nc(CNC(=O)N2CC[C@H]2c2ccc(Cl)cc2)n[nH]1 297575856 TTXUAAPIZJBOEI-LBPRGKRZSA-N 319.796 2.677 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@H]12 257345524 ABAPPEYCWOHADP-XTBHVOJFSA-N 306.446 2.930 0 50 DFAA C[C@@H](Cn1cncn1)C(=O)NC(c1ccccc1)c1ccccc1 827628093 SNPDPFJVZVIMAT-HNNXBMFYSA-N 320.396 2.820 0 50 DFAA COc1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cn1 824747963 QIBLNVUABLECEB-UHFFFAOYSA-N 312.350 2.917 0 50 DFAA O=C(NCC1CCN(Cc2ccoc2)CC1)c1ccsc1 828196292 NAFLQGFZEFITGP-UHFFFAOYSA-N 304.415 2.983 0 50 DFAA Cc1cc(C)nc(Cn2cnc3cc(Cl)ccc3c2=O)n1 584893062 FITNQEZEDNLYQY-UHFFFAOYSA-N 300.749 2.505 0 50 DFAA CC1CC(C(=O)NC[C@H]2CCCCN2C(=O)C2CC(C)C2)C1 876308127 VPMXWPHOQHMTQW-QIWHZVNUSA-N 306.450 2.576 0 50 DFAA CCc1nnc([C@]23CC[C@H]2CCN3Cc2ccn(C(C)C)n2)o1 1875404620 OYQBOTHYQSZWEE-GUYCJALGSA-N 315.421 2.921 0 50 DFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCc3cnccc32)cn1 1875281068 NSXANAUSFUTQOY-UHFFFAOYSA-N 317.414 2.526 0 50 DFAA Cc1nn(C)c(F)c1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 1875271569 ZWHFAWYYXQMJLI-DZGCQCFKSA-N 315.392 2.961 0 50 DFAA Cc1c(N[C@@H](C)C2(O)CCOCC2)cnn1-c1ccc(F)cc1 1875284795 MUTYVACZYNLTCL-ZDUSSCGKSA-N 319.380 2.662 0 50 DFAA C=CC(=O)N(Cc1c(C)cccc1C)[C@H]1CCc2nc(C)nn2C1 1875381979 MSIBARVUYVKSHS-INIZCTEOSA-N 324.428 2.733 0 50 DFAA Cc1[nH]ccc(=NC(=O)NCC(C)(C)C2=CCOCC2)c1Cl 1345274311 IQOJYCBQGDPDHJ-UHFFFAOYSA-N 323.824 2.960 0 50 DFAA Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2Oc2cn[nH]c2)s1 1775987857 KNMSPHKKBXVVNR-OLZOCXBDSA-N 305.403 2.818 0 50 DFAA O=C(c1cncnc1)N1CCC(c2ccc(F)c(F)c2)CC1 274053924 ZCFLRCMPJNLSMN-UHFFFAOYSA-N 303.312 2.775 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCc2ccccc2C1 275436025 FNYGMJSLWCTZEI-SQNIBIBYSA-N 311.429 2.880 0 50 DFAA CCC(CC)(C(=O)NCc1nccs1)C(=O)OC(C)(C)C 585090292 HIEUCFNCORBASR-UHFFFAOYSA-N 312.435 2.907 0 50 DFAA CCCc1noc(Cn2c(=O)n(CCC)c3ccccc32)n1 109526463 DPCZXFAIAFWCTI-UHFFFAOYSA-N 300.362 2.597 0 50 DFAA Cc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)co2)cc1 110647710 RGZPSACDURFBRV-BZUAXINKSA-N 312.369 2.834 0 50 DFAA Cc1cccnc1CNC(=O)c1ncsc1C(F)(F)F 170091363 IPIQQNMJPSPTAO-UHFFFAOYSA-N 301.293 2.795 0 50 DFAA COc1ccccc1CCC(=O)N1C[C@H](C)O[C@H](C2CC2)C1 279444020 OXUNNTZZNXINSQ-GUYCJALGSA-N 303.402 2.654 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 163944 LCJDCYZTRRIDBL-JXMROGBWSA-N 317.366 2.894 0 50 DFAA COc1cccc([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)O)c1 225380559 MTRAGHZTOHIMMW-CVEARBPZSA-N 317.385 2.512 0 50 DFAA COCCC(=O)N1CCC[C@H](CCc2cccc(OC)c2)C1 11772495 PVFYNEYJYWABDY-MRXNPFEDSA-N 305.418 2.903 0 50 DFAA Cc1cc(S[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)ncn1 12000574 RQJAQDUSPTXIQP-SNVBAGLBSA-N 317.370 2.603 0 50 DFAA Cc1cc(O[C@H](C)C(=O)N2CCCN(C)CC2)cc(C)c1Cl 13323137 XSRJYZPDRGLYQQ-CQSZACIVSA-N 324.852 2.888 0 50 DFAA CN(c1cccc(NC(=O)C2CCCCC2)c1)S(C)(=O)=O 13716929 HULPIUIFGYJRBN-UHFFFAOYSA-N 310.419 2.601 0 50 DFAA Cc1ccc(C)c(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)c1 15453252 SPALTCKPQJUANN-AWEZNQCLSA-N 300.402 2.715 0 50 DFAA COc1cc(-c2nccn2CCCOc2cccnc2)ccn1 1857685916 ZSJFJZXGAYBHOP-UHFFFAOYSA-N 310.357 2.818 0 50 DFAA Cc1ccc2ncnc(N3CCc4[nH]nc(C5CC5)c4CC3)c2n1 1857695744 WCJXPLXZSHICTQ-UHFFFAOYSA-N 320.400 2.539 0 50 DFAA CSc1nc(O)cc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)n1 630030601 DNYAOUHMOMXXHO-WDEREUQCSA-N 323.462 2.983 0 50 DFAA CC[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C)C(=O)O)CC1 236981019 ZYXRSDVCOSTHDF-NHYWBVRUSA-N 312.360 2.507 0 50 DFAA CC[C@@H](C)[C@@H](NC(=O)N1CCC(C(=O)OC)CC1)C(F)(F)F 334102887 GFFGNIIVLMFARF-MWLCHTKSSA-N 324.343 2.558 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CCC[C@@H]3C(=O)O)c2)cc1 237735275 NEWPTQQHJYAPTK-MRXNPFEDSA-N 310.353 2.746 0 50 DFAA CC(C)[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(N)=O 130116383 HDAZFJZHYJQZAJ-JTQLQIEISA-N 322.714 2.599 0 50 DFAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(Cl)s2)C[C@@H]1O 1704340881 WMHWQIYWBTZNDJ-FZMZJTMJSA-N 317.838 2.839 0 50 DFAA Cc1c(C(=O)NC[C@@]2(C)CCCCO2)cnn1CCC(C)C 832483668 QDFVYYWFMGUQJW-QGZVFWFLSA-N 307.438 2.927 0 50 DFAA Cc1nnc(N2CCN(c3nc4cccc(C)c4o3)CC2)s1 1262707124 JFMRAHFFBFXRKC-UHFFFAOYSA-N 315.402 2.623 0 50 DFAA COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1OC 104416 IJFWNIHEWNVVEU-UHFFFAOYSA-N 301.346 2.558 0 50 DFAA O=C(Nc1cccc(NC(=O)N2CCCC2)c1)c1ncco1 2325796975 NJTNHUSWQIZZSG-UHFFFAOYSA-N 300.318 2.555 0 50 DFAA Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c(C)c1 557951 MKQLIZCKCSIPFM-UHFFFAOYSA-N 308.337 2.782 0 50 DFAA COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OC 305985 PZPBCMSMHYHUAT-UHFFFAOYSA-N 301.298 2.685 0 50 DFAA O=C(NC1CCCC1)c1cccc(I)c1 3093840 LDLVWNMKWKEXNI-UHFFFAOYSA-N 315.154 2.964 0 50 DFAA COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 4667008 LCCAMULFXUTFBA-GFCCVEGCSA-N 303.383 2.835 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 4744937 YTPFRTYSEJJDOZ-ZYHUDNBSSA-N 301.383 2.691 0 50 DFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1 5450914 YZRAGQGVCCTRCY-UHFFFAOYSA-N 323.352 2.774 0 50 DFAA COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1 6726026 PLBYZVFIVNRUAW-CYBMUJFWSA-N 305.399 2.876 0 50 DFAA CCOC(=O)c1cnn(-c2ccc(F)cc2)c1CN1CCCC1 12280927 XZLYKHIWDIVADP-UHFFFAOYSA-N 317.364 2.784 0 50 DFAA COCCCn1c(S)nnc1Cc1c(F)cccc1Cl 17053579 AQHJDAZRQNLNCS-UHFFFAOYSA-N 315.801 2.987 0 50 DFAA Clc1ccc(CN2CCC[C@H](N3CCOCC3)C2)s1 19841534 ZPIYLBOSGNMWAW-LBPRGKRZSA-N 300.855 2.698 0 50 DFAA OCC[C@H]1CN(Cc2cc(F)ccc2F)CCN1C1CCCC1 23360163 RRIBEWWYVDDHOG-KRWDZBQOSA-N 324.415 2.776 0 50 DFAA O=C(Nc1ccccc1)c1ncccc1I 34403788 DZJRPHHTMVPHBE-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA Cn1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)cn1 40283086 GNGPZOFOPFJVAB-UHFFFAOYSA-N 318.312 2.532 0 50 DFAA CCCC[C@H](N)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 55052831 OVVRFMZVBGTSON-AWEZNQCLSA-N 316.405 2.521 0 50 DFAA Cc1nc(N)nc(C)c1Cc1nc(C(C)C)nn1-c1ccccc1 65467457 BFCXNEXLMFYIQF-UHFFFAOYSA-N 322.416 2.971 0 50 DFAA CC[C@@H](O)C(=O)NCc1cccnc1Oc1c(C)cccc1C 67588097 DHEHEAABBBAQLX-OAHLLOKOSA-N 314.385 2.878 0 50 DFAA Cc1cccc(OCC(=O)NCc2cnc3c(C)cccn23)c1C 67742412 SCXNVERKOJTKPT-UHFFFAOYSA-N 323.396 2.955 0 50 DFAA CN(C)[C@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 72453956 ZLWQYVZQOTXHLU-SFHVURJKSA-N 304.478 2.916 0 50 DFAA Cc1nnnn1CCCN1CCCC[C@H]1CCc1cccs1 77302922 HPTRLCKAUVXITH-HNNXBMFYSA-N 319.478 2.920 0 50 DFAA CCCO[C@@H](C)C(=O)N1CCC(Oc2ccccc2OC)CC1 82161919 HZGHTBJCQLMMFB-AWEZNQCLSA-N 321.417 2.880 0 50 DFAA CC[C@@H](Cn1ccnc1)n1cc(-c2cc(C(C)(C)C)[nH]n2)nn1 91807910 XKXBXELQCXADHB-LBPRGKRZSA-N 313.409 2.814 0 50 DFAA COCCC[C@@H]1CCCCN1C(=O)c1ccc2nonc2c1 91933055 SBRMFANIQBOADG-ZDUSSCGKSA-N 303.362 2.644 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N1CCc2nc(N)sc2C1 92062514 XLWXJRQVTGLPNS-UHFFFAOYSA-N 322.459 2.812 0 50 DFAA Cc1cc(C2CCC2)nc(N2CCC3(CC2)OCCC[C@@H]3O)n1 95366886 LSNVBRMFOHUYPA-INIZCTEOSA-N 317.433 2.563 0 50 DFAA COc1cc(OC)cc([C@@H](O)CNc2cc(C(C)C)ncn2)c1 95376173 CHWFMRAXKXFCHX-INIZCTEOSA-N 317.389 2.763 0 50 DFAA NC(=O)NCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 117540889 OBVLZPYNLMZGLI-CQSZACIVSA-N 323.824 2.842 0 50 DFAA NC[C@H]1CCCN1C(=O)c1ccc(Br)cc1Cl 122332538 HYKBNNCFVLXAEG-SECBINFHSA-N 317.614 2.666 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCO[C@@H](c2cccs2)C1 122829674 GPVYCOIEOBFAMB-LLVKDONJSA-N 307.350 2.888 0 50 DFAA CN(C(=O)c1cc(Cl)cn1C)c1nc2ccccc2n1C 130168350 KQQRIKFGQGGITH-UHFFFAOYSA-N 302.765 2.842 0 50 DFAA Fc1ccccc1-c1n[nH]cc1CN[C@@H]1CCc2[nH]ncc2C1 152221466 UBDLQGUFDBZBFO-CYBMUJFWSA-N 311.364 2.586 0 50 DFAA O=C(NC[C@@H]1COCCO1)N1CCC[C@@H]1CC1CCCCC1 170601388 PMPFYBCJUCKODF-HZPDHXFCSA-N 310.438 2.546 0 50 DFAA O[C@@H](CN[C@@H](c1ccc(F)cc1)C1CCCC1)Cn1cccn1 180300226 SUBHINOISMJIFM-ZWKOTPCHSA-N 317.408 2.904 0 50 DFAA CSCC(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212142700 VIDCPYCCNFDXHZ-SJORKVTESA-N 315.438 2.880 0 50 DFAA O=C(CSc1ccccn1)NC[C@H]1OCCc2ccccc21 215812479 TXYFEIQZKINXHM-OAHLLOKOSA-N 314.410 2.604 0 50 DFAA CC1(C)C[C@@H](CN2CCCN(Cc3cccnc3)CC2)CCO1 216358527 NENGTLGFNJLDKY-KRWDZBQOSA-N 317.477 2.795 0 50 DFAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1COC2(CCCC2)C1 223722767 NPOWMNNTYCWGKH-CQSZACIVSA-N 317.385 2.566 0 50 DFAA CNc1snc(C)c1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 229768294 RXURYLZSPSEJLE-IJLUTSLNSA-N 324.494 2.589 0 50 DFAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(NC(N)=O)cc1 241231127 KSGDFMOMDKBSDU-UXIGCNINSA-N 301.390 2.970 0 50 DFAA O[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1cccc(F)c1 241965737 UVFUTHHQAXNHRV-KSZLIROESA-N 323.408 2.519 0 50 DFAA COC[C@H](c1ccccn1)N(C)Cc1nnc(-c2ccco2)o1 244796001 RRBDZNLEXNDESW-CYBMUJFWSA-N 314.345 2.544 0 50 DFAA C[C@H](NC(=O)N1CCC(c2c[nH]cn2)CC1)c1nccs1 253433635 ZOQIXEKJAFIQAS-JTQLQIEISA-N 305.407 2.516 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2C[C@@H](O)[C@@]2(C)CC[C@H](O)[C@H]12 257345764 IGDPHSMKMOOQGM-IQPNMTGTSA-N 308.462 2.722 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc([C@H]2CCOC2)c1 270525184 AGWPQJGSAWGHLC-YTQUADARSA-N 323.392 2.579 0 50 DFAA COc1ccccc1Cc1noc(CC2CCN(C)CC2)n1 290212212 OVFZZORCMJLXCM-UHFFFAOYSA-N 301.390 2.553 0 50 DFAA CN(C(=O)c1csnn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C 290305233 CMLNMUZHLKQLRQ-KBPBESRZSA-N 317.414 2.856 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](N)C1 299749222 JMTGVUYXOWVDHE-YCPHGPKFSA-N 302.418 2.876 0 50 DFAA CC(C)[C@@H](NC(=O)CCc1csc(N)n1)c1cccnc1 299787859 SBMMERFKMBUCFT-CQSZACIVSA-N 304.419 2.566 0 50 DFAA Cn1cnnc1[C@@H]1CN([C@@H]2CCc3c(Cl)cccc32)CCO1 328646949 SYDKISMUZUMCJQ-CABCVRRESA-N 318.808 2.529 0 50 DFAA Cc1cn2c(CN(C)C(=O)c3ocnc3C)c(C)nc2s1 340559770 DBIJPKYAELIDGC-UHFFFAOYSA-N 304.375 2.581 0 50 DFAA Cc1nc([C@H]2CCCCN2C(=O)c2cc(C(C)C)n(C)n2)no1 363348981 MJOAXANDBGVVAV-CYBMUJFWSA-N 317.393 2.602 0 50 DFAA c1cc([C@@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)ncn1 374704845 ZBXBGFINXQEXQJ-CQSZACIVSA-N 324.432 2.660 0 50 DFAA O=C(CCc1ccc(O)nc1)N1CCO[C@H](C2CCCCC2)C1 376087817 ZXBPHUMPGYVSHC-INIZCTEOSA-N 318.417 2.528 0 50 DFAA COc1ccc(N(C(=O)C[C@H]2CCCC(=O)N2)C(C)C)cc1F 377286977 BWHOWSLTSXONIU-GFCCVEGCSA-N 322.380 2.635 0 50 DFAA O=C(O)C1(NC(=O)C2(Nc3ccccc3)CCCC2)CCC1 426504180 ZCVWZLZNKBPJIM-UHFFFAOYSA-N 302.374 2.535 0 50 DFAA CC(C)[C@H](Oc1ccccc1)C(=O)NCc1cncn1C1CC1 426550437 MDFRRVSHRDAHOS-KRWDZBQOSA-N 313.401 2.938 0 50 DFAA C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cncc(Cl)c1)C[C@@H](C)O2 451387606 DYNDTFWUDSIIHY-XHBSWPGZSA-N 324.808 2.534 0 50 DFAA CO[C@@H](C)CNC(=O)N(C)CCn1c(C)cc2ccccc21 534583450 RPFKKISBKSREPQ-AWEZNQCLSA-N 303.406 2.626 0 50 DFAA CCc1nc(C)c(CNC(=O)c2cc3cc(C)ccn3n2)s1 534644830 VHVUSAYVIZHIMK-UHFFFAOYSA-N 314.414 2.900 0 50 DFAA CCN1CCC(CNC(=O)c2cc3cccnc3s2)CC1 584212676 FIVDTVTZRVCZLI-UHFFFAOYSA-N 303.431 2.758 0 50 DFAA Cc1ccc2c(=O)n([C@@H](C)c3c(C)nn(C)c3C)cnc2c1C 584887109 PUGLWUYQYRUUEL-AWEZNQCLSA-N 310.401 2.973 0 50 DFAA O=S(=O)(CC[C@@H]1CCc2ccccc21)NCc1ccoc1 585115700 PICSAYFJHVSIMS-HNNXBMFYSA-N 305.399 2.819 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCN23)cc1 585121914 GCDJGCPSTSDFPR-MSOLQXFVSA-N 315.461 2.746 0 50 DFAA CC(C)[C@@H](Nc1ccnc(CSc2ccccc2)n1)C(N)=O 585132882 CZYNLYVBHQMLKI-OAHLLOKOSA-N 316.430 2.691 0 50 DFAA O=C(O)c1csc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 585134076 CVGXVUYRVIEFSI-LBPRGKRZSA-N 320.414 2.904 0 50 DFAA CC(F)(F)c1ccc(C(=O)N[C@@H]2CCc3cncn3C2)cc1 644806544 QUPSMTQCPOPTMO-CYBMUJFWSA-N 305.328 2.740 0 50 DFAA COc1ccc2c(c1)OCCN(Cc1ccc(C(=O)O)s1)C2 652446715 UIQFFQFCUXXFOK-UHFFFAOYSA-N 319.382 2.850 0 50 DFAA COc1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c(OC)n1 677873012 CXNAPAATABQUGD-VIFPVBQESA-N 318.377 2.571 0 50 DFAA O[C@H](CN[C@H]1CCCOc2c(F)cccc21)c1ccc(F)cn1 819214413 QQPMSYSNIUTLTL-GOEBONIOSA-N 320.339 2.897 0 50 DFAA O=C(N[C@]12C[C@H]1COC21CCC1)c1cccc2cc(O)ccc12 887124047 OSRKATLTMRDTNN-ORAYPTAESA-N 309.365 2.987 0 50 DFAA Cc1nnc(N2CCC(c3nc4c(s3)CCC4)CC2)nc1C 896233445 SVKIUCBCKGDOPV-UHFFFAOYSA-N 315.446 2.818 0 50 DFAA Cc1ccc(Cc2nnn(C[C@@H]3C[C@H](C)O[C@H](C)C3)n2)cc1 901535573 GWTMTIUHPZBACB-FOLVSLTJSA-N 300.406 2.776 0 50 DFAA Cc1ccc(CNC(=O)c2ccc3c(c2)N[C@@H](C)CC(=O)N3)o1 913715495 HECZRYYRVMGDRT-JTQLQIEISA-N 313.357 2.661 0 50 DFAA Cc1ccc([C@H]2COCCN2C(=O)c2cnn(C3CCC3)c2)o1 933040194 GGBMAWQFCQRJIJ-OAHLLOKOSA-N 315.373 2.723 0 50 DFAA CN1CCC[C@H](CCc2nc(COc3cccc(F)c3)n[nH]2)C1 952872841 FEEOBQSARSSUGI-CYBMUJFWSA-N 318.396 2.797 0 50 DFAA Cc1cccc(N2CCC(Nc3cnc(C(=O)O)cn3)CC2)c1 1506413771 VMBZHJKTPAIXLV-UHFFFAOYSA-N 312.373 2.564 0 50 DFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)COc3ccccc3)C[C@H]2C1 1529167335 KCCXIIDMCBWJCL-WNKDZCFJSA-N 316.445 2.643 0 50 DFAA CCCCN(CC(=O)Nc1ccn(C)n1)Cc1ccsc1 1529172779 ICVYZCZLKZBNLO-UHFFFAOYSA-N 306.435 2.722 0 50 DFAA N[C@H]1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C[C@@H]1O 1565514434 UWQHKMOEYJYKNF-ROUUACIJSA-N 316.376 2.512 0 50 DFAA CCOc1ccc(CN2CC[C@H]([C@@H]3CCCO3)[C@H]2C(=O)O)cc1 1616036604 ZBFGEPDMNAIIJV-IKGGRYGDSA-N 319.401 2.539 0 50 DFAA O=C(COc1cccc(N2CCC2=O)c1)NC1CCCCCC1 1616042104 IRGYPGSTFMKXCE-UHFFFAOYSA-N 316.401 2.641 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(CC(=O)Nc1ccccc1)C2 1704341553 WYNMHEWAUREPBR-SJLPKXTDSA-N 302.418 2.906 0 50 DFAA CC1(C)Cc2cc(C=Cc3ncc(C(=O)O)c(O)n3)ccc2O1 1857533195 PPYXVOZBEASQQV-UHFFFAOYSA-N 312.325 2.764 0 50 DFAA O=C(NCCc1cccc2cccnc12)C12CC(CN1C1CC1)C2 1875300733 ORKQOLSJIUNQAT-UHFFFAOYSA-N 321.424 2.520 0 50 DFAA Cn1c(=NCc2ccnc(OC3CCCC3)c2)[nH]c2ccncc21 1875305532 WCCDEZYILLIZMH-UHFFFAOYSA-N 323.400 2.719 0 50 DFAA Cc1sc(CNC(=O)c2ccc(C3CC3)cc2)nc1C(=O)O 1875392348 BLTDANHZISKVQP-UHFFFAOYSA-N 316.382 2.957 0 50 DFAA O=C(c1cncnc1)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782322 NWNCEHDDARNIOV-UHFFFAOYSA-N 317.776 2.814 0 50 DFAA CCc1ccc(-c2ccc(C(=O)N3CCC(N)CC3)cn2)cc1 2325796858 XJXWMENDZRXREK-UHFFFAOYSA-N 309.413 2.874 0 50 DFAA C=CC(=O)N1CCC2(CC1)C[C@H]2N(Cc1ccsc1)C(C)=O 2325885640 IZPIZZADXUEIEW-OAHLLOKOSA-N 318.442 2.664 0 50 DFAA COc1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 207344 YCUYKOHSKRWUTF-MRXNPFEDSA-N 315.325 2.994 0 50 DFAA biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)CC1 264600 ZJHUKDCXBYBGFY-UHFFFAOYSA-N 303.811 2.769 0 50 DFAA O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1nc[nH]n1 339516 NPHPIJIORMAIJL-UHFFFAOYSA-N 305.750 2.834 0 50 DFAA CCOc1ccc(NS(=O)(=O)c2cccc(OC)c2)cc1 463418 GRADIMPQOQZWSX-UHFFFAOYSA-N 307.371 2.895 0 50 DFAA O=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1 467286 FRRPHOKFQBNERL-UHFFFAOYSA-N 313.426 2.523 0 50 DFAA Cc1nnc(SCC(=O)N2N=CC[C@@H]2c2ccccc2)s1 539555 RKALPKWGLHODNU-GFCCVEGCSA-N 318.427 2.898 0 50 DFAA Cc1cc(CNC(=S)NCc2ccc(Cl)cc2)nn1C 609595 SXDMETYZLZKRIT-UHFFFAOYSA-N 308.838 2.546 0 50 DFAA COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 2349962 RPOAVCQMTPTJRX-UHFFFAOYSA-N 300.265 2.880 0 50 DFAA CN(C)CCCNC(=S)Nc1cccc(C(F)(F)F)c1 2817449 MGUGOCVSCZWBOB-UHFFFAOYSA-N 305.369 2.944 0 50 DFAA Cc1ccnc2c(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cccc12 100591000 OMDOANCHDHLPKH-GVAFMPQTSA-N 304.349 2.855 0 50 DFAA Cc1cnc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)cn1 115128948 BQEGFSOFNBNWFS-UHFFFAOYSA-N 305.341 2.803 0 50 DFAA CCCCN(Cc1ccco1)C(=O)[C@H](C)Cn1nc(C)nc1C 55393110 KZZSQEHYZLIVRQ-CYBMUJFWSA-N 318.421 2.953 0 50 DFAA CCOc1cccc(CN(CCO)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 55328041 ZVEJNRZYKUKOKE-UWWQBHOKSA-N 315.413 2.618 0 50 DFAA CC(=O)N[C@@H]1C(=O)N(CCCOc2ccccc2)c2ccccc21 101099094 PPUJWXRLGSTSLO-SFHVURJKSA-N 324.380 2.680 0 50 DFAA O=C(CCNCCc1ccccn1)N1CCCc2ccccc21 65526214 SOOLBALARSAYIK-UHFFFAOYSA-N 309.413 2.583 0 50 DFAA CC(=O)c1cccc(-n2cnnc2CCc2ccccc2O)c1 67878390 VYTIVXZKOSRDQE-UHFFFAOYSA-N 307.353 2.961 0 50 DFAA Cc1cc([C@H](C)NC(=O)N2CC[C@@H]([C@H](C)O)C2)cc(C)c1F 230107331 ABOJBWAFUDCISY-MELADBBJSA-N 308.397 2.916 0 50 DFAA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1nc(C(C)(C)C)n[nH]1 331756319 AQQWXJWHGBIHEQ-WFASDCNBSA-N 314.433 2.926 0 50 DFAA COc1ncccc1C(=O)N1CCO[C@@H](CC2CCCCC2)C1 12714181 NBUSFVAVSYCKBU-HNNXBMFYSA-N 318.417 2.902 0 50 DFAA C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 252513290 YAZHQDHTCWXUQY-MOIQIXESSA-N 314.429 2.951 0 50 DFAA Nc1ccnc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 282375235 FNWHGAFDKROXLK-JTQLQIEISA-N 300.328 2.613 0 50 DFAA Cc1cccc2ncnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)c12 253432384 YIBGDQDSAMBZGH-KBXCAEBGSA-N 313.401 2.713 0 50 DFAA CC[C@@H]1CN(CCc2ccc(F)c(F)c2)CCN1CCOC 152050076 VLCZSWAQGVAWHL-OAHLLOKOSA-N 312.404 2.550 0 50 DFAA Cc1cc(CNC(=O)N[C@H](C)c2cccc(C)c2C)n(C)n1 284349736 YGXXUQRKXQAVOF-CQSZACIVSA-N 300.406 2.906 0 50 DFAA O=C1C[C@H](C(=O)N2CCC[C@H](c3ccncn3)C2)c2ccccc21 14993323 NKGRYLQLDGFBHT-BBRMVZONSA-N 321.380 2.553 0 50 DFAA CCc1cnc(N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)nc1 71763353 ZQAAIGBFBRXWPV-INIZCTEOSA-N 316.449 2.512 0 50 DFAA Cc1cc(C)c(C(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)o1 237463808 AKBXMIUWWPFLQZ-VIFPVBQESA-N 308.359 2.851 0 50 DFAA Cc1cc(N2CCC[C@@H]2Cn2nc(C)nc2C)nc(C2CC2)n1 369371274 UPTMDULPOIAJEP-OAHLLOKOSA-N 312.421 2.540 0 50 DFAA Cc1ccc(CN2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)c(C)c1 371472040 XVPLBMQGHBMZMW-IPMKNSEASA-N 302.462 2.987 0 50 DFAA O=C(C1CCNCC1)N1CCC[C@H](Oc2ccccc2Cl)C1 237927892 RWIDRAIZDGQORM-AWEZNQCLSA-N 322.836 2.709 0 50 DFAA Cc1cc(OCc2ccccc2)nc(N2CCC[C@@](C)(O)C2)n1 450415889 CXMVLLLILOOJQV-GOSISDBHSA-N 313.401 2.715 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72423515 MRTOQOZSULAJRT-MRXNPFEDSA-N 305.418 2.641 0 50 DFAA Cc1cc(Cn2ccnc2-c2cc3ccc(F)cc3[nH]c2=O)on1 71750785 AAVKJJADYSBZFL-UHFFFAOYSA-N 324.315 2.875 0 50 DFAA C[C@H]1C[C@H](C(=O)O)CN(Cc2ccc(OC(F)F)c(F)c2)C1 263107995 YDVPGMRBKLNBSA-ONGXEEELSA-N 317.307 2.970 0 50 DFAA CCOc1cc(CN2CC[C@@H](O)C2)ccc1OCC=C(C)C 216011232 HEUBQSHJEUEOEI-MRXNPFEDSA-N 305.418 2.997 0 50 DFAA COc1ccc(NC(C)=O)cc1-n1ccnc1-c1ccncc1 72422743 MSKPLEAKYKSWMM-UHFFFAOYSA-N 308.341 2.901 0 50 DFAA C[C@H](Oc1cccc2ccccc12)C(=O)N1CCC[C@@H]1C(=O)O 263534270 NVRIHIZFLMDGKI-SWLSCSKDSA-N 313.353 2.683 0 50 DFAA O=C(C[C@H]1CCCOC1)N1CCC(Cc2cccnc2)CC1 426549886 GXJWOIPWTZZFLY-QGZVFWFLSA-N 302.418 2.679 0 50 DFAA Cn1ncnc1[C@H](NC(=O)c1cc2ccccc2cc1O)C1CC1 220451272 LRZDWQKQZUKNDO-MRXNPFEDSA-N 322.368 2.555 0 50 DFAA O=C(NC1CC1)c1ccnc(CC[C@@H]2COc3ccccc3O2)c1 223719756 DIWFMKWCYHJABD-MRXNPFEDSA-N 324.380 2.746 0 50 DFAA O=C(NCc1ccc(F)cc1)N1CCC[C@](CO)(CC2CC2)C1 91665224 FNVBBUCCTAGMNA-SFHVURJKSA-N 320.408 2.910 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCCC(=O)N2)ccc1-c1ccncc1 293746774 LUBAXKVSKYWYEQ-MRXNPFEDSA-N 309.369 2.664 0 50 DFAA COc1cccc([C@H]2CCN2C(=O)NCCCC(C)(C)CO)c1 426373605 KWZWCUPSQAIIKM-MRXNPFEDSA-N 320.433 2.950 0 50 DFAA C[C@H]1CCC(C)(C)N1C(=O)NCc1nccc(C(F)(F)F)n1 922881756 QJONPCVZMSXWTB-VIFPVBQESA-N 316.327 2.968 0 50 DFAA CCCN(Cc1nccn1C)C(=O)[C@@H](C)n1ccnc1C(C)C 95519597 GKFDRGYULIKGLV-CQSZACIVSA-N 317.437 2.740 0 50 DFAA CC(C)C[C@H]1CC(=O)N(Cc2cc3ccccc3n(C)c2=O)C1 95522578 ZOBGDDRHAYKWOG-AWEZNQCLSA-N 312.413 2.933 0 50 DFAA CCc1ccc([C@@H]2COCCN2C(=O)c2ncoc2C2CC2)o1 294994831 LQMQQPBPEJCWOA-ZDUSSCGKSA-N 316.357 2.921 0 50 DFAA CN(Cc1noc(C2CC2)n1)[C@H](/C=C/c1ccccc1)C(=O)O 95378991 QBXMKDHHXJXCOK-DNGMOHDESA-N 313.357 2.545 0 50 DFAA CC1(C)CN(Cc2nnc(-c3cccc(F)c3)o2)CC[C@]1(C)O 91665232 BBUKGBMRBVLXRT-KRWDZBQOSA-N 319.380 2.859 0 50 DFAA O=C(C[C@@H]1CCCN1C(=O)CCn1cccn1)c1ccccc1 268003318 NMCQJQYQSJXOFD-INIZCTEOSA-N 311.385 2.537 0 50 DFAA CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)c2c(noc2C)C[C@]1(C)O 245256952 UNPRVHNJQVGCOX-BBWFWOEESA-N 303.333 2.766 0 50 DFAA CC[C@H](C)[C@@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)OC 245312015 RTJRJJAYQDFMTN-VBNZEHGJSA-N 318.417 2.951 0 50 DFAA Cn1ccc(C(=O)NCC2(c3cccc(F)c3)CCCC2)n1 534653714 WTEJZEPFFFHRMD-UHFFFAOYSA-N 301.365 2.801 0 50 DFAA CN(C)C(=O)c1ccc(NC[C@H](c2cccs2)N(C)C)nc1 264838670 GHOZVXDQDRSMRO-CYBMUJFWSA-N 318.446 2.560 0 50 DFAA CN1CCCN(C(=O)c2cccc(-c3nccs3)c2)CC1 299781227 UCQRTVKTLMHJTA-UHFFFAOYSA-N 301.415 2.588 0 50 DFAA CC(C)c1cccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c1 1875306125 UGDUPOVZGZBWGK-BYCMXARLSA-N 305.374 2.619 0 50 DFAA OC[C@@H]1CCCCN1CCCNCc1sccc1Cl 952979137 ZHUJERNAQPAIKQ-LBPRGKRZSA-N 302.871 2.728 0 50 DFAA Cc1nc([C@H](C)NCc2cnn(-c3ccccc3Cl)c2)n[nH]1 952871837 DQPDTZDMRGMPGY-JTQLQIEISA-N 316.796 2.803 0 50 DFAA CC1(CO)CCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 185695131 FAUOHLROUHQFFI-UHFFFAOYSA-N 312.360 2.928 0 50 DFAA Cc1cc(NC(=O)CNC(=O)C2CCCCC2)c(C)c(C)c1O 274776104 XVLFZGUXZIYCFI-UHFFFAOYSA-N 318.417 2.952 0 50 DFAA Cc1nc(C(=O)Nc2ccc(N=S(C)(C)=O)cc2)c(C)o1 585087762 OALYLXIIWSIAGF-UHFFFAOYSA-N 307.375 2.903 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2cccc3c2C(=O)OC3(C)C)CCO1 585085961 KWLPNXMSHHJUSY-NSHDSACASA-N 317.385 2.780 0 50 DFAA CCCN(Cc1nc(O)c2sccc2n1)Cc1nonc1C 1324734283 DYQAIVXRHFKJRA-UHFFFAOYSA-N 319.390 2.501 0 50 DFAA CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1 640875187 QMANPWJYDWYWFG-KURKYZTESA-N 316.445 2.528 0 50 DFAA Cc1cnc(N2CCC[C@H](n3cncn3)C2)c(Br)c1 194317797 NSGAQUYQJVWQCM-NSHDSACASA-N 322.210 2.586 0 50 DFAA Cc1n[nH]cc1CN[C@H](C)c1ncc(Br)s1 130140681 IGFWCUNBRNFAAQ-SSDOTTSWSA-N 301.213 2.788 0 50 DFAA Cc1ccc2nc(N3C[C@H]4COC[C@@H](C3)CN4C)cc(C)c2c1 1704311380 HCAJTORZMGNOJQ-CVEARBPZSA-N 311.429 2.618 0 50 DFAA Cc1ccc2c(C(=O)NCCCN(C)C3CCCC3)cnn2c1 1772708844 CTMSROWOEGNHBX-UHFFFAOYSA-N 314.433 2.637 0 50 DFAA O=C(NCc1cccn2nccc12)c1cccc(-c2cn[nH]c2)c1 1772814709 OUHOYSYAMBCBGT-UHFFFAOYSA-N 317.352 2.654 0 50 DFAA CCc1[nH]c2ccc(CNC(=O)CCN3CCCO3)cc2c1C 15062721 GNQJABHBYWQFCV-UHFFFAOYSA-N 315.417 2.682 0 50 DFAA O=C(CCN1CCCCO1)N1CCO[C@@H](CC2CCCCC2)C1 15065155 DOSXHWAYRSTVKT-KRWDZBQOSA-N 324.465 2.602 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(N3CCOCC3)nc2)n1 15073461 RLSRZSRXYXQOBU-UHFFFAOYSA-N 322.368 2.944 0 50 DFAA CC(C)(C(=O)N1CCC(n2cncn2)CC1)c1cccc(F)c1 134727905 NPNGZDOACQSZQK-UHFFFAOYSA-N 316.380 2.559 0 50 DFAA Cc1cc2c(cc1C)N[C@@H](CC(=O)NC1CCCCC1)C(=O)N2 8741844 DJTRCBMKSKXBFP-INIZCTEOSA-N 315.417 2.875 0 50 DFAA CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](OC)C2)CCO1 240912301 IXFLIMNDCQZLQS-OAGGEKHMSA-N 312.454 2.791 0 50 DFAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@H](C)OC[C@H]1C 248705847 HLXOJSVGPYIUGD-AGIUHOORSA-N 322.453 2.826 0 50 DFAA CCNC(=O)C[C@H]1CCCCN1Cc1nc2cc(F)ccc2o1 585081397 XEKQMTPVWRAEDR-CYBMUJFWSA-N 319.380 2.848 0 50 DFAA C[C@@H](NC(=O)Nc1ccc(OC2CCCC2)nc1)[C@H]1CCOC1 266373511 CJUCKTHIMPEVEO-OLZOCXBDSA-N 319.405 2.950 0 50 DFAA CCC1(CNS(=O)(=O)Cc2c(F)cccc2F)CCC1 164356878 SBXOUQBBOYAYAG-UHFFFAOYSA-N 303.374 2.965 0 50 DFAA Cc1csc(C[C@@H]2CCN(Cc3nc(C(=O)O)cs3)C2)n1 903935819 PATASSJRFPCQOC-JTQLQIEISA-N 323.443 2.671 0 50 DFAA NC(=O)c1cc(NC(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cs1 931629640 OIWHSUBOCUHLIC-DGCLKSJQSA-N 319.430 2.889 0 50 DFAA O=C(Nc1cnn(C2CCC2)c1)N[C@H]1CCOC12CCCC2 934299854 XLACCQVTUYEWNW-AWEZNQCLSA-N 304.394 2.831 0 50 DFAA O=C(NOC[C@H]1CCOC1)c1cc(-n2cccc2)ccc1Cl 935594924 ZFFICGJPSKZHRY-LBPRGKRZSA-N 320.776 2.829 0 50 DFAA O=C(O)c1cccnc1CN1CC[C@@]2(CCc3ccccc3O2)C1 851708848 MYMQSPPDEJFYBE-IBGZPJMESA-N 324.380 2.750 0 50 DFAA c1ccc2c(Sc3nnnn3C3CCOCC3)ccnc2c1 2325775351 ZXDVHCQQZRLEHE-UHFFFAOYSA-N 313.386 2.724 0 50 DFAA CCC(C)(C)c1n[nH]c(=NCC(C)(C)OCC(F)(F)F)o1 2325775505 AFZUZXPHTILPKY-UHFFFAOYSA-N 309.332 2.949 0 50 DFAA Cc1nc(C(=O)Nc2ccc(-n3cnc(C)c3C)nc2)cs1 2325824432 AUQJLJPEVREKIX-UHFFFAOYSA-N 313.386 2.901 0 50 DFAA CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(F)cc1)C(=O)N2 618299 HWRXKFIVZVBOJN-GOSISDBHSA-N 313.328 2.801 0 50 DFAA Cc1ccccc1O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 1066213 NBHXTJGLTDNYLV-CYBMUJFWSA-N 313.353 2.807 0 50 DFAA CCCc1cnc(C)nc1N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356155630 KNNCARLRPBTPIF-GOSISDBHSA-N 311.433 2.945 0 50 DFAA COc1cccc(C(=O)NC(=S)Nc2ccccc2F)c1 4682332 DOXPMIZXMOZWSX-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA Clc1ccccc1CNc1nc2ccccc2n2nnnc12 4922993 CDUSTEURFJZVCN-UHFFFAOYSA-N 310.748 2.938 0 50 DFAA CCCCNC(=O)CCCCSc1ncnc2nc[nH]c12 6379832 KPVYPBCTSMIGNE-UHFFFAOYSA-N 307.423 2.532 0 50 DFAA O=C(CSc1ncccn1)Nc1nc2ccccc2s1 6731358 GNMNTJBAGYIVML-UHFFFAOYSA-N 302.384 2.817 0 50 DFAA COC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2F)c1 10112245 UDTOMEPGQJNGBI-UHFFFAOYSA-N 323.345 2.554 0 50 DFAA CCN1CCCC[C@H]1CNC(=O)NCCc1ccccc1F 111434343 ZDORCQDZBSMDNX-HNNXBMFYSA-N 307.413 2.542 0 50 DFAA COc1ccc(-c2nc3cc4[nH]c(=O)[nH]c4cc3[nH]2)c(OC)c1C 55386864 UUHVKSHIMQSKNH-UHFFFAOYSA-N 324.340 2.725 0 50 DFAA COc1ccc(CN2CCc3[nH]cnc3[C@H]2C(C)C)cc1O 67967101 GFIDPKPDRSLQJG-QGZVFWFLSA-N 301.390 2.879 0 50 DFAA CCCOc1ccccc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C 67723610 PDTARMMDPLPBTG-LSDHHAIUSA-N 302.418 2.784 0 50 DFAA CN(Cc1cnc2ccccc2n1)C(=O)c1ncc(F)cc1F 20608291 GSNZQMAJQSFPHN-UHFFFAOYSA-N 314.295 2.575 0 50 DFAA COc1ccc(OCCN2CCC[C@H](Cn3ccnc3)C2)cc1 65435636 ZESZNWVWVNGYAU-INIZCTEOSA-N 315.417 2.683 0 50 DFAA CCOc1ccc([C@H](COC)NC(=O)c2ccccn2)cc1 252494713 OCNQREIQOHPUGD-INIZCTEOSA-N 300.358 2.598 0 50 DFAA O=C(CCn1ccnn1)N1CCCc2c1cccc2C(F)(F)F 425634883 PDWJYNPVHNODKJ-UHFFFAOYSA-N 324.306 2.666 0 50 DFAA O=C(CCN1CCO[C@H]2CCCC[C@H]21)Nc1ccccc1F 230198371 JDCYLWYEJICBOX-CVEARBPZSA-N 306.381 2.798 0 50 DFAA O=C(Cc1cccnc1)NCCCN1CCCc2ccccc21 67974654 ZSGPKNDWRBSHEN-UHFFFAOYSA-N 309.413 2.583 0 50 DFAA COc1ccnc(CC(=O)Nc2c[nH]nc2-c2ccccc2)c1 253397679 OEVGORWBBWXZDU-UHFFFAOYSA-N 308.341 2.662 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 331563615 JTSKCRFLNFIFHW-FZMZJTMJSA-N 322.311 2.518 0 50 DFAA Cc1cc(F)cc(NC(=O)NCc2nnc(S)n2C(C)C)c1 152918752 WCKMGRGYGLFFDB-UHFFFAOYSA-N 323.397 2.917 0 50 DFAA COc1ccc2c(c1)N(Cc1cnc3n[nH]c(C)c3c1)CCO2 361275253 IIDZMXJDWJAASQ-UHFFFAOYSA-N 310.357 2.674 0 50 DFAA CCCc1cc(N2CCN[C@@H](c3ccccc3)C2)n2nccc2n1 72127475 AOZPDPBJCVOTGQ-QGZVFWFLSA-N 321.428 2.833 0 50 DFAA Cc1csc(CCC(=O)N[C@@H]2CCCc3nc(O)ccc32)n1 333495364 NGJSSSHVBLZRIX-CYBMUJFWSA-N 317.414 2.679 0 50 DFAA COc1ccc([C@@H](C)CC(=O)N2CCC[C@H](C(=O)O)C2)cc1 128530916 IWWQHRVKSRABRZ-JSGCOSHPSA-N 305.374 2.512 0 50 DFAA C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 378426944 WXRDCQGNISDPMR-MAUKXSAKSA-N 316.445 2.534 0 50 DFAA C[C@@H](C(=O)NC[C@H]1CCCO1)N1[C@H]2CC[C@H]1c1ccccc12 245289652 DGNHKXUSTGUOKB-RMHZUWNSSA-N 300.402 2.562 0 50 DFAA Cc1cc(O[C@@H](C)C(=O)N2CC[C@@H](CN)C2)ccc1C(C)C 178586528 NENIOYYDGPVNJT-GJZGRUSLSA-N 304.434 2.693 0 50 DFAA Cc1csc([C@@H](C)C(=O)N[C@@H](CO)c2ccccc2C)n1 613218768 PGTVDTKVFJWVHM-JSGCOSHPSA-N 304.415 2.713 0 50 DFAA CCSc1nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n[nH]1 426533737 FQMOWYQADPXMHF-GFCCVEGCSA-N 318.446 2.977 0 50 DFAA Oc1ccc(OC(F)(F)F)cc1-c1ccc(-n2ccnc2)nn1 426538457 SQXFVSNHSFOJIE-UHFFFAOYSA-N 322.246 2.934 0 50 DFAA Cn1cc(Cl)c(-c2nc(CC3CC3)nn2CC(F)(F)F)n1 96151616 QYDUKMXYCBPZID-UHFFFAOYSA-N 319.718 2.847 0 50 DFAA Cc1cc(C)c(C(=O)NCCc2csc(C(C)C)n2)c(=O)[nH]1 91645126 OSCDPZRRZIVPHF-UHFFFAOYSA-N 319.430 2.544 0 50 DFAA Cc1nc(N(C)Cc2cc(C(C)(C)C)n[nH]2)c2c(C)noc2n1 95384141 LHZNMXYHAPSMDQ-UHFFFAOYSA-N 314.393 2.892 0 50 DFAA N[C@H]1CCN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 237924613 JVCPYIVCUBXJET-BQTOJVEASA-N 318.726 2.932 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)NCc3nnc(C)o3)c2c1 95378597 AGGZTLRLVKGLJV-UHFFFAOYSA-N 310.357 2.781 0 50 DFAA O=C(O)c1cc(I)cc(Cl)c1F 147554834 XEKLXXFYOXTQJZ-UHFFFAOYSA-N 300.454 2.782 0 50 DFAA CC[C@@H](NC(=O)Nc1ccc2cnn(C)c2c1)c1nc(C)c[nH]1 96160231 AUDSAXNVQHYORV-CYBMUJFWSA-N 312.377 2.878 0 50 DFAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCc2[nH]cnc2C1 96152994 JNSYOXDXTLWZGT-CQSZACIVSA-N 320.396 2.896 0 50 DFAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc(Cl)c[nH]1 244673794 HVQXZHLKNHCPBA-PLMOITTCSA-N 310.806 2.972 0 50 DFAA C[C@]12CC[C@@H]3[C@H]([C@@H]1C[C@H](O)C2)[C@H](O)C[C@H]1C[C@@H](O)CC[C@]13C 257345945 NJFDVXNNCYQDEC-WHZPNHCBSA-N 308.462 2.722 0 50 DFAA O=C(CCN1CC(c2ccccn2)C1)Nc1ccc2c(c1)CCC2 252482233 DBDMZOWAQIVTMU-UHFFFAOYSA-N 321.424 2.998 0 50 DFAA COc1ccc([C@@H](C)NC(=O)CCc2cccn2C)cc1F 534579732 CIUIVSJGMLLQHD-GFCCVEGCSA-N 304.365 2.983 0 50 DFAA COc1ccc(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)c(OC)c1 299791073 CPEFXYZZHGNXOA-JTQLQIEISA-N 319.361 2.701 0 50 DFAA CC(=O)c1c(C)nn(CCC(=O)NCC2=CCCCC2)c1C 299789369 YOTMVCJHAMYILW-UHFFFAOYSA-N 303.406 2.709 0 50 DFAA O=C1C[C@H](Nc2ncccc2Cl)CN1Cc1ccccc1 828247930 JEHUGDSCWHPAFW-ZDUSSCGKSA-N 301.777 2.948 0 50 DFAA Cc1nccn1C[C@@H](C)NCCc1nc2ccc(Cl)cc2[nH]1 584886874 CMOLTXQENVKZRM-LLVKDONJSA-N 317.824 2.942 0 50 DFAA Cc1csc(C(=O)N2CCC[C@H](C)S2(=O)=O)c1Cl 1875285323 JZQNJIKMADJDDO-QMMMGPOBSA-N 307.824 2.664 0 50 DFAA CC(=O)c1[nH]c2ccccc2c1C(=O)NCC1(CO)CCCC1 1875278320 PTYHQRFKEILZQO-UHFFFAOYSA-N 314.385 2.653 0 50 DFAA COc1ccc(Cc2c(C)nc(SCC(=O)O)nc2C)cc1 1875365055 ULPRRXJDHPVHGX-UHFFFAOYSA-N 318.398 2.870 0 50 DFAA O=C(N[C@H]1c2ccccc2CC1(F)F)[C@H]1CC(C2CC2)=NO1 1875312172 VJVNHVPJMYZUQB-KGLIPLIRSA-N 306.312 2.590 0 50 DFAA CC[C@H]1CCC[C@H]1C(=O)NS(=O)(=O)Cc1ccsc1 1875318861 XJFVOFOYQPLXLE-NWDGAFQWSA-N 301.433 2.520 0 50 DFAA CC(C)/C=C/c1cn([C@@H]2CN(C(=O)C3(CF)CC3)C[C@@H]2C)nn1 1875323768 SQWDMKYTMANNPX-GMOCUTOCSA-N 320.412 2.716 0 50 DFAA Cc1ccc2ccccc2c1S(=O)(=O)NC(C)(C)CC(=O)O 630418041 SHWJLKMIEMRYQQ-UHFFFAOYSA-N 321.398 2.680 0 50 DFAA O=C1CCCCCN1CCC(=O)N1CCC[C@H]1c1cccnc1 952972122 ZKRRPFRULFJASV-INIZCTEOSA-N 315.417 2.538 0 50 DFAA Cc1cc(S(=O)(=O)N(C)Cc2ncccc2C)c(C)s1 952962320 DEAFGFAIYGEFHW-UHFFFAOYSA-N 310.444 2.889 0 50 DFAA O=C(O)[C@@H]1CCCO[C@H]1c1cnn(CCOc2ccccc2)c1 886087879 CGDBQOKIWQIHAN-CVEARBPZSA-N 316.357 2.514 0 50 DFAA Clc1cccc(-c2nnc(N3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)o2)c1 894069177 XFSNBONIBDKZRB-IGQOVBAYSA-N 315.760 2.780 0 50 DFAA CCC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F 185822902 VMXMJLMPYBCZFP-JTQLQIEISA-N 315.291 2.783 0 50 DFAA C[C@]1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)CCOC1 585124541 HKHJZJQCWRIXRF-SFHVURJKSA-N 322.368 2.990 0 50 DFAA Cc1cc(-c2ncccc2NC(=O)[C@H](C)n2cncn2)cs1 186898670 WOPSNDRCBBJTID-NSHDSACASA-N 313.386 2.910 0 50 DFAA CC[C@H](C)Cc1c(C)sc2nc(SCCO)[nH]c(=O)c12 170625460 LLIITULQLIWGPO-QMMMGPOBSA-N 312.460 2.966 0 50 DFAA CCN(Cc1ccccc1)C(=O)Cc1nc2ccccc2c(=O)[nH]1 170610686 VLCUFSBVSXYYLV-UHFFFAOYSA-N 321.380 2.514 0 50 DFAA COC[C@H]1[C@@H](NC(=O)CCCCc2ccccc2)[C@H]2CCO[C@H]21 1074602323 TUOGRGVSJVYIFK-KCITZHQASA-N 317.429 2.566 0 50 DFAA Cc1cc(CN(C)C)cc(NC(=O)[C@H](C(=O)O)C(C)(C)C)c1 663043265 CXDUMFLJZJYSRB-CQSZACIVSA-N 306.406 2.742 0 50 DFAA COCC1(CNc2nc3cc(C(=O)O)ccc3n2C)CCC1 1506406497 QGRWHHVVLXZMKU-UHFFFAOYSA-N 303.362 2.500 0 50 DFAA CCCC[C@H]1C=CCN1C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 1506400967 LTEFDRGWQPNKJW-AWEZNQCLSA-N 311.385 2.736 0 50 DFAA Cc1nnc(NC(=O)C2=C(c3ccccc3)SCCO2)s1 12322940 ULTGOHXBHBYSCR-UHFFFAOYSA-N 319.411 2.917 0 50 DFAA O=c1/c(=C\c2ccccc2F)sc2nc(-c3ccccc3)nn12 16732068 HBBIQPJQGCJEMC-GXDHUFHOSA-N 323.352 2.505 0 50 DFAA COc1cccc(CN/C=C2\C(=O)Nc3ccccc32)c1OC 18031729 KNYWUTSCMULPNG-KAMYIIQDSA-N 310.353 2.787 0 50 DFAA O=c1[nH]c2ccc(Br)cc2c(=O)n1C1CCCCC1 18115698 ZRNVIHGRMZKKIT-UHFFFAOYSA-N 323.190 2.958 0 50 DFAA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2cc1O 18178495 QSDHDEWDUFYUCO-UHFFFAOYSA-N 319.320 2.967 0 50 DFAA CC(C)[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)O 4990909 VCXQKNIPWGMUER-GFCCVEGCSA-N 313.781 2.723 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 128551476 BJBYOMQKQJYRDV-LLVKDONJSA-N 315.291 2.571 0 50 DFAA C[C@H](NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1F)C1CCOCC1 252477984 ZBUWCNYVGHLYPI-XEGUGMAKSA-N 324.371 2.935 0 50 DFAA CNC(=O)CCCC(=O)N1CC2(CCCC2)c2ccccc21 155766592 YREGYBZICYMJRT-UHFFFAOYSA-N 300.402 2.761 0 50 DFAA CC(C)c1ccoc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 262871844 BKLUFYUODNXUBY-ZDUSSCGKSA-N 319.279 2.882 0 50 DFAA O=C(c1c(O)cccc1F)N1CCN(Cc2cccs2)CC1 163629193 PJGKBEMTDNWPAR-UHFFFAOYSA-N 320.389 2.551 0 50 DFAA CCC1(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)CCCCC1 910616391 JLMJKWTYGHFPNI-TXKKKEFDSA-N 323.433 2.876 0 50 DFAA Cn1cc(CNC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)nn1 935331345 VCSGUVAOVNEFDD-UHFFFAOYSA-N 311.389 2.524 0 50 DFAA C[C@H](NC1CS(=O)(=O)C1)c1cc(F)c(Cl)cc1Cl 379891913 GEEVWHJVPQEMAO-LURJTMIESA-N 312.193 2.580 0 50 DFAA COc1ccc(CC(=O)Nc2cccc(C(=O)O)c2)cc1OC 67922 RXUXFIUODVTDBH-UHFFFAOYSA-N 315.325 2.583 0 50 DFAA biogenic O=C(/C=C/c1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 192872 VEIUXPLIWZQBJT-VOTSOKGWSA-N 311.293 2.735 0 50 DFAA O=C1C[C@H](CO)CN1c1ccc(-c2ccc3ocnc3c2)cc1 2325861281 LCVINPPZRMASRZ-LBPRGKRZSA-N 308.337 2.840 0 50 DFAA Cc1ccccc1-c1nc(CN2Cc3c[nH]nc3[C@@H](C)C2)no1 931458093 PZQQGQCSIMRACO-LBPRGKRZSA-N 309.373 2.887 0 50 DFAA Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 31559 MOMWFYZCFGIGNC-UHFFFAOYSA-N 301.343 2.856 0 50 DFAA Cc1ccccc1NC(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 202691 DAQZCHOLHGHNIE-FZKQIMNGSA-N 317.385 2.824 0 50 DFAA biogenic COc1ccc(NC(=O)CSc2nccc(C)n2)c(OC)c1 419479 MRPCQXLCNQLYTD-UHFFFAOYSA-N 319.386 2.533 0 50 DFAA Cc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1C 802673 WIBMWVSRLZCNES-UHFFFAOYSA-N 324.490 2.891 0 50 DFAA CSc1ncc(CN2CCC(OC(F)(F)F)CC2)cn1 2356158000 VFRKEXMGVFGUJV-UHFFFAOYSA-N 307.341 2.699 0 50 DFAA CN(Cc1cnc(-c2ccco2)nc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356158953 GCJCEIJJIGDVDZ-GEEKYZPCSA-N 313.401 2.718 0 50 DFAA Cc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1C 3552945 BJRRRWPOIZXDHD-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 3889350 UGNXLOBQSOPLBJ-KBPBESRZSA-N 309.793 2.890 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 4141186 UHGGKIPHZIOAFJ-OAHLLOKOSA-N 318.373 2.666 0 50 DFAA CCOC(=O)[C@@H]1CCCCN1Cc1ccc(O)c(OCC)c1 6656543 ROEKIKRMXWNFIL-AWEZNQCLSA-N 307.390 2.709 0 50 DFAA CCc1nc(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)sc1C(=O)OC 225443323 SJEJXFYGWCGGOS-UUTMEEIUSA-N 320.414 2.723 0 50 DFAA CCN1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 20608762 HANXEDWDHMPAGM-OAHLLOKOSA-N 318.461 2.916 0 50 DFAA CCN1CCN(CCOc2cccc(C(F)(F)F)c2)CC1 20406502 IVGTUNYTCHKNIE-UHFFFAOYSA-N 302.340 2.722 0 50 DFAA O=C1C[C@@H](c2cccc3[nH]ccc23)c2c(nc3ccccn23)CN1 67725772 UOYNCLVNMPLCPO-AWEZNQCLSA-N 316.364 2.967 0 50 DFAA CC(C)(C)OC(=O)N1CCCN(C(=O)Nc2ccccn2)CC1 67539092 HVPVEUGPZNUXSL-UHFFFAOYSA-N 320.393 2.556 0 50 DFAA Cc1ccccc1[C@H]1CCN(CCN2Cc3ncccc3C2=O)C1 65532143 GDYPQDJTRDREHF-INIZCTEOSA-N 321.424 2.835 0 50 DFAA CCc1ncc(NC(=O)N2CCc3ccc(F)cc3C2)cn1 118990653 QDSTUVBBIUWPIZ-UHFFFAOYSA-N 300.337 2.768 0 50 DFAA CCN(C)c1ccc(CN2CC3(CCNCC3)C[C@H]2C)cn1 424385254 WETQJZNYKYIXBF-OAHLLOKOSA-N 302.466 2.502 0 50 DFAA COc1ncc(Cl)c(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 281718193 PBPABNFEMWUGCR-WCQYABFASA-N 323.755 2.590 0 50 DFAA Cc1csc(NC(=O)NC[C@H](c2ccnn2C)C(C)C)n1 252502398 UPTSIUKUXQMGGX-NSHDSACASA-N 307.423 2.746 0 50 DFAA CCOc1cc2c(cc1OC)[C@H](NC(=O)c1ccco1)CC2=O 1386575 XNJAHNGWDNGJEG-GFCCVEGCSA-N 315.325 2.744 0 50 DFAA COc1ccc(-c2nn(C)c3c2C(=O)C[C@H](C)C3)cc1OC 2561906 MKWZZJVPJCUJOR-SNVBAGLBSA-N 300.358 2.869 0 50 DFAA C[C@H](C(=O)Nc1cccc(F)c1)n1cnc2ccccc2c1=O 33550101 XDOKDPILEKULBR-LLVKDONJSA-N 311.316 2.735 0 50 DFAA COC(=O)C1=C(C)N(C)C(=O)C[C@@H]1c1ccc(SC)cc1 4784208 SIEKKIWFTSHCIY-CYBMUJFWSA-N 305.399 2.801 0 50 DFAA O=C(O)C1(n2ccnc2)CCN(c2ccnc3ccccc23)CC1 72432907 HZMOSFOJMOCYOM-UHFFFAOYSA-N 322.368 2.512 0 50 DFAA COc1ccccc1OC1CN(CC2CCN(C(C)C)CC2)C1 72141955 VMKDPYVSNXPPIA-UHFFFAOYSA-N 318.461 2.879 0 50 DFAA CSc1ccccc1[C@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 282793259 SJADGTLFZCHCKU-RWMBFGLXSA-N 306.431 2.706 0 50 DFAA COC(=O)c1ccc(N2CC[C@](F)(c3ccccc3C)C2)nn1 253394793 DSYSJYLLALOYEX-QGZVFWFLSA-N 315.348 2.647 0 50 DFAA Clc1cncc(N2CCCN(Cc3ccccc3)CC2)n1 253491197 LNBYZDRODMCVIA-UHFFFAOYSA-N 302.809 2.842 0 50 DFAA CCc1nnc(CNc2cc(-c3ccccc3)nc3ccnn23)o1 72145869 DLCAPCJJCQRAGQ-UHFFFAOYSA-N 320.356 2.954 0 50 DFAA C[C@H]1CC(C)(C)C[C@@](CO)(NCc2cn(C(C)(C)C)nn2)C1 359732495 QRPQXCRRALBHTG-GUYCJALGSA-N 308.470 2.700 0 50 DFAA CCn1ccnc1CN1CCN(c2ccc(F)cc2F)CC1 219455840 BMAGKXHJLHUDOB-UHFFFAOYSA-N 306.360 2.503 0 50 DFAA C[C@H](CNC(=O)OC(C)(C)C)c1noc(-c2ccncc2)n1 495359506 ZYXOQHRWOMOYKN-SNVBAGLBSA-N 304.350 2.760 0 50 DFAA CC(C)COc1cncc(N2CC[C@@]3(O)CCCC[C@H]3C2)n1 241371297 MMGXWGNQCGQBLE-YOEHRIQHSA-N 305.422 2.643 0 50 DFAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cc2c(F)cccc2[nH]1 263287048 YDJZDDMOZUTLAT-VHSXEESVSA-N 304.321 2.632 0 50 DFAA CNC(=O)CC1CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 71278801 ALTVQGXFFPWCTG-OAHLLOKOSA-N 322.474 2.948 0 50 DFAA Cc1ncsc1CCS(=O)(=O)N(C)C[C@@H]1CC=CCC1 333440477 PNHRCNMICWTYJF-CYBMUJFWSA-N 314.476 2.612 0 50 DFAA O=C(c1cc(F)cc2cccnc12)N1CCO[C@@H](C2CC2)C1 372474489 QYJJHZWUQJMJMC-OAHLLOKOSA-N 300.333 2.625 0 50 DFAA CC[C@@H](NC(=O)N1CCO[C@H](c2ccco2)C1)c1ccncc1 129162328 CWNJTWABAMFBFD-ZBFHGGJFSA-N 315.373 2.909 0 50 DFAA COc1ccc2sc(C(=O)N3CCC[C@H](N)C3)c(C)c2c1 158232687 CYLAWSUYAQHARF-NSHDSACASA-N 304.415 2.782 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)NCCCn3cnnc3)c2c1 77339077 JBFXSSQWJXRYGR-UHFFFAOYSA-N 323.400 2.517 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3nc(C)n4ccccc34)C2)n1 72435036 QNLVWFQNSURPJR-MRXNPFEDSA-N 309.417 2.903 0 50 DFAA COc1cc(SC)c(OC)cc1CN(C)Cc1cnccn1 215975347 YEURXERCBDTWEH-UHFFFAOYSA-N 319.430 2.848 0 50 DFAA OC1CN(Cc2ccccc2OCCCCN2CCCCC2)C1 215502245 JCFHRTFVJFTMGC-UHFFFAOYSA-N 318.461 2.508 0 50 DFAA COc1ccc2c(c1F)CC[C@@H]2NCc1nn(C)cc1Cl 453309904 FAUXQJJANDULIH-LBPRGKRZSA-N 309.772 2.998 0 50 DFAA CCC1(C(=O)NC2CCN(Cc3ccncc3)CC2)CCC1 175804959 MYCAEUUQUUMOJA-UHFFFAOYSA-N 301.434 2.743 0 50 DFAA CC(C)NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 40288256 UNZRLQDXASORII-UHFFFAOYSA-N 321.380 2.583 0 50 DFAA CC(C)n1ncc2cc(CN[C@H](CO)C3CCCC3)cnc21 289550920 OGHMFQAVLRFVHG-MRXNPFEDSA-N 302.422 2.653 0 50 DFAA O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1nc[nH]n1 179343962 WTUDOQCNIAAOIX-CQSZACIVSA-N 307.357 2.720 0 50 DFAA CCn1ccnc1CN1CCC(Cc2noc(C3CC3)n2)CC1 97156146 MHVAZFCKDFLPDG-UHFFFAOYSA-N 315.421 2.618 0 50 DFAA CCc1cc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)on1 97575062 GPHGBGWOXYSHOV-UHFFFAOYSA-N 320.352 2.850 0 50 DFAA Cc1cccc([C@@H](C(=O)NCCCc2ccncc2)N(C)C)c1 95364585 ONLABVSDKUEOEW-SFHVURJKSA-N 311.429 2.742 0 50 DFAA Cc1ccc(OC[C@H](O)CNC(C)(C)C)c2c1C(=O)CCC2 96028043 QJLMQFYWORQSFF-CYBMUJFWSA-N 305.418 2.642 0 50 DFAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ncccc2O)C1 95509843 MHODNYAVWOYIBB-ZDUSSCGKSA-N 314.389 2.584 0 50 DFAA CC[C@H](C)[C@@H](CO)NC(=O)CCn1ccc2cccc(OC)c21 230216796 YOJQUJWSDLYHCD-DZGCQCFKSA-N 318.417 2.563 0 50 DFAA Cc1nc(N[C@@H]2COC3(CCCCC3)C2)c2cnn(C)c2n1 95370047 CLSQESXSKBPVIS-LBPRGKRZSA-N 301.394 2.575 0 50 DFAA Cc1nc2ccc(C(=O)NCCc3cccnc3)cc2nc1C 91973852 ASEYYYCEQWANRW-UHFFFAOYSA-N 306.369 2.614 0 50 DFAA COc1cc(-c2ccc(CN(C)C)cn2)cc(OC)c1OC 97716891 ZUYJEURRAISCPV-UHFFFAOYSA-N 302.374 2.836 0 50 DFAA CCOC(=O)C[C@@H]1CCCCN1c1nc2c(s1)c(C)nn2C 95517171 KTVSGRMTSPJFME-NSHDSACASA-N 322.434 2.650 0 50 DFAA O=C1C[C@H](C(=O)NCCCc2ccco2)c2cc(F)ccc2N1 91679153 AWGMVGGVPRTWBG-AWEZNQCLSA-N 316.332 2.594 0 50 DFAA N[C@@H]1CN(C(=O)c2ccsc2)CC[C@H]1c1ccc(F)cc1 297293829 UZOGAIKILKJSML-LSDHHAIUSA-N 304.390 2.844 0 50 DFAA O=C(CN1CCCC[C@H]1c1ccccn1)NCc1cccs1 244763858 OWRVTULZNXCMDT-INIZCTEOSA-N 315.442 2.987 0 50 DFAA N[C@H]1C[C@H](c2cc(NCCCc3ccccn3)nc(C3CC3)n2)C1 244691590 JFLLWYAXOOMXER-SHTZXODSSA-N 323.444 2.998 0 50 DFAA CCc1noc(-c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)n1 263616080 GWGJESSGFLCWEW-CYBMUJFWSA-N 314.320 2.906 0 50 DFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CC[C@H](CO)C1 534653888 HTABXUAIKLRYMP-JTQLQIEISA-N 317.216 2.826 0 50 DFAA O=C1C[C@H](CN2CCOc3ccccc3C2)CN1c1ccccc1 299775542 DQEMMFIRKHNQEY-MRXNPFEDSA-N 322.408 2.934 0 50 DFAA Cc1cccc(N2CCC(NC(=O)c3c(C)ncnc3C)CC2)c1 825218726 PUYFDIDBZHCMAO-UHFFFAOYSA-N 324.428 2.801 0 50 DFAA C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(CO)CC1 864094594 ZLUMWLNCEZCODU-HBNTYKKESA-N 308.344 2.568 0 50 DFAA Cc1ocnc1C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 670469825 ONLJCIATDPVMRC-UHFFFAOYSA-N 318.764 2.875 0 50 DFAA Cc1cc(C)c2oc(N[C@@H]3C[C@@H](O)C34CCOCC4)nc2c1 685943020 QCTNHKOCDHGQBA-ZIAGYGMSSA-N 302.374 2.787 0 50 DFAA O=C(O)c1csc(C2CCN(C(=O)OC3CCC3)CC2)n1 952880975 XRMLUQFSUBPKJE-UHFFFAOYSA-N 310.375 2.710 0 50 DFAA C[C@H](O)CNC1CC(NC(=O)OC(C)(C)C)(c2ccccc2)C1 1875340567 IRZYNEKPNBITOI-UQHVZDHRSA-N 320.433 2.539 0 50 DFAA C[C@H]1Oc2ccc(Nc3cc(C(F)F)ncn3)cc2NC1=O 1458080536 BKANCMXFSWDQAW-SSDOTTSWSA-N 306.272 2.877 0 50 DFAA CC(C)(C)OC(=O)N1CCC(O)([C@H](N)c2ccc(F)cc2)CC1 958528362 NVBUYIQVRRSVHH-CQSZACIVSA-N 324.396 2.588 0 50 DFAA Cc1cc(-n2cccn2)ccc1CNCCc1c(C)n[nH]c1C 952870305 VOKVGNANJOLELG-UHFFFAOYSA-N 309.417 2.853 0 50 DFAA Cc1ncsc1C(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952968048 JMSRTXHJHPIYJF-MRVPVSSYSA-N 302.359 2.633 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(Br)s2)C[C@@H](C)O1 16603124 ISWYFNMJEUZRSF-HTQZYQBOSA-N 304.209 2.760 0 50 DFAA FC(F)(F)c1cccnc1NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961605 MPWGHLQDBDSHPC-SCZZXKLOSA-N 313.283 2.551 0 50 DFAA Clc1ccccc1N1CCN(CCN2C[C@@H]3CC[C@H]2C3)CC1 1565525612 DOASDPHPCHGNQP-CVEARBPZSA-N 319.880 2.946 0 50 DFAA COC[C@@H](C)CNc1ccc2nnc(-c3ccsc3)n2n1 185928631 BVSKMLQJPHRQCJ-JTQLQIEISA-N 303.391 2.547 0 50 DFAA CC1(C)Oc2ccc(NC(=O)N3[C@H]4CC[C@H]3CC(O)C4)cc2O1 110091409 WMUZJVNYTLNVGZ-RYUDHWBXSA-N 318.373 2.714 0 50 DFAA CCOC(C)(C)CNC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 187660737 PMGAPOOWTLURRM-CYBMUJFWSA-N 308.426 2.688 0 50 DFAA CCCCC1CCC(C(=O)NCc2cnc(C)nc2N)CC1 673477324 XUHXFAORIAFBTA-UHFFFAOYSA-N 304.438 2.980 0 50 DFAA C[C@@H](NCC1(c2c(F)cccc2F)CCCC1)c1nnnn1C 189808779 DCDZOCADOCIHDA-LLVKDONJSA-N 321.375 2.651 0 50 DFAA C[C@H]1c2cccn2CCN1C(=O)c1cc(N2CCCC2)ccn1 194389655 PBRLMOVVNRDZPQ-AWEZNQCLSA-N 310.401 2.700 0 50 DFAA C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[C@@H](CN(C)C)C1 195570418 QNIYBRWVCDOJQL-KEYYUXOJSA-N 301.434 2.513 0 50 DFAA Cc1cc([C@@H](C(=O)O)N(C)CCc2ccccn2)ccc1F 1506423841 XYKOINCNGWCQFJ-INIZCTEOSA-N 302.349 2.829 0 50 DFAA Cc1cc(=O)c(C(=O)N(C)Cc2cccc3cnccc23)cn1C 1506401353 CTOHQWNIYMOREZ-UHFFFAOYSA-N 321.380 2.514 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(Cl)cc3F)C[C@H]2O)n[nH]1 1529169293 TYYKVNMADWSHGX-MLGOLLRUSA-N 323.799 2.546 0 50 DFAA O=S(=O)(NCc1ccco1)c1ccccc1Br 7305965 QTHMFPXNYGPWSF-UHFFFAOYSA-N 316.176 2.521 0 50 DFAA in-vitro C[C@H]1COc2ccc(C(=O)NCc3nnc(C4CC4)s3)cc21 1615050156 QQUKONFHIJDJMA-VIFPVBQESA-N 315.398 2.841 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CC(N[C@H](CO)c1ccc(F)cc1)C2 1615605321 DOXXDZWLYNTUDS-OKZBNKHCSA-N 306.425 2.853 0 50 DFAA Cc1ncoc1C(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12315531 HQGUXRJRQWWGPY-AWEZNQCLSA-N 305.422 2.900 0 50 DFAA 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Cc1cc(C)c(N2CC[C@@H](NC(=O)c3ccco3)C2=O)c(C)c1 190581274 BBEPUPZFMTYPQK-CQSZACIVSA-N 312.369 2.740 0 50 DFAA CC(C)[C@H](CNC(=O)[C@@H]1CCOC[C@H]1C)Nc1ccccc1 193177206 QRQCYXHHODBHFQ-OIISXLGYSA-N 304.434 2.912 0 50 DFAA CCCCCOCC(=O)Nc1ccccc1[C@H]1CCC(=O)N1 585128967 SHCKQOTZZLGBIY-OAHLLOKOSA-N 304.390 2.783 0 50 DFAA Cc1cc(C2CCN(C(=O)CCCc3ccccn3)CC2)n[nH]1 679168079 VFAXXOJXTBZKLI-UHFFFAOYSA-N 312.417 2.842 0 50 DFAA CN(C(=O)c1cn(C)c2ccccc12)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529179464 BFEVCQSVNXKZAM-NMWPEEMBSA-N 312.413 2.800 0 50 DFAA CCc1nc(N2CCC3(CC2)OCCc2ccsc23)no1 1704313905 RVGPKXCDNKAVPO-UHFFFAOYSA-N 305.403 2.762 0 50 DFAA Cc1cc(C)c(NC(=O)Cn2cc(Br)cn2)c(C)n1 330539948 ZAKMMLZOSOPIND-UHFFFAOYSA-N 323.194 2.605 0 50 DFAA CN(C)c1cc(C(=O)N2C[C@@H]3[C@@H](CF)[C@@H]3C2)c2ccccc2n1 1615050185 VSHDLZYSKYTPOB-QKDCVEJESA-N 313.376 2.588 0 50 DFAA CN(C)Cc1nnc(NCCC2CCN(C3CCCC3)CC2)o1 1772704808 PRENXARYWZXEOJ-UHFFFAOYSA-N 321.469 2.588 0 50 DFAA CCn1cc(C(=O)Nc2ccc(O)cc2)c(=O)c2ccc(C)nc21 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Cc1cccc(Cn2nc(C)cc2NC(=O)c2cnccn2)c1 1431353 ZLKKPSZJCQHZMD-UHFFFAOYSA-N 307.357 2.591 0 50 DFAA C[C@H]1COCCN1c1ccc(Nc2ncc3cccnc3n2)cc1 2325792747 KFXKXSMUSNCOLR-ZDUSSCGKSA-N 321.384 2.994 0 50 DFAA CN(C(=O)c1ccc(-c2ccccn2)nc1)c1ccc(CN)cc1 2325857626 JIHDFVMNRQYTJD-UHFFFAOYSA-N 318.380 2.879 0 50 DFAA COc1cc2c(-c3ccc4c(c3)OCC(=O)N4)cn(C)c2cn1 2325865126 NYXKBGSAVFNDEI-UHFFFAOYSA-N 309.325 2.580 0 50 DFAA Cn1c(S)nnc1[C@H]1CCCN(C(=O)C2CCCCCC2)C1 110723509 DFAAXONMWMGFIN-ZDUSSCGKSA-N 322.478 2.780 0 50 DFAA COC(=O)Nc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cc1 6725829 DGVYBXZIZKMFBN-UHFFFAOYSA-N 314.407 2.672 0 50 DFAA CC(=O)c1ccc(NC(=O)C[C@@H](C)n2nc(C)nc2C)cc1 8714431 KXZMONWEWKIPOJ-SNVBAGLBSA-N 300.362 2.687 0 50 DFAA CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1nccn1C 227024174 QRVBMGXTGZKTEC-KRWDZBQOSA-N 324.469 2.839 0 50 DFAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C 248023280 JYSYMQNXAGAPHV-VBNZEHGJSA-N 313.401 2.662 0 50 DFAA CCc1noc(C)c1C(=O)N[C@H](C)c1nncn1C1CCCC1 20449990 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CC(C)(CO)CCCNC(=O)c1cccc(-c2cncnc2)c1 299788162 VRUDXKANORRUFC-UHFFFAOYSA-N 313.401 2.672 0 50 DFAA Cc1cc2ccccc2n1CC(=O)NC1CCC(C(=O)O)CC1 268921407 AYXRMCQPSWGMNF-UHFFFAOYSA-N 314.385 2.709 0 50 DFAA Cc1cccc([C@@H](CN)C(=O)N2CCC[C@@]23CCCSC3)c1 1875292666 PBXCYEYACNPYKV-AEFFLSMTSA-N 318.486 2.926 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)c1snnc1C)CO2 1875277256 NCVNXHAQGOWXKK-BXKDBHETSA-N 318.402 2.649 0 50 DFAA CC(C)C[N@@]1C[C@@H]1COc1ccc(N2CCCCC2=O)cc1 1875380843 BVWYQGOIZVIZFW-APWZRJJASA-N 302.418 2.923 0 50 DFAA C=CC(=O)N(Cc1cscc1Cl)[C@@H]1CC(=O)N(C2CC2)C1 1875388931 VWJFVEOLKYWILH-GFCCVEGCSA-N 324.833 2.679 0 50 DFAA O=C(O)[C@H]1N(C(=O)c2ccc3ncccc3c2)CC12CCCC2 1875271007 GAWJLWSUWJDVKB-OAHLLOKOSA-N 310.353 2.704 0 50 DFAA Oc1cc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)ncn1 892778412 WSJSMVDZNGMZBM-LJQANCHMSA-N 324.428 2.675 0 50 DFAA O=C(Cc1cnccc1C(F)(F)F)N1C[C@H]2C[C@]2(C(F)F)C1 1776008227 WDGFGVPYXDCIDX-RNCFNFMXSA-N 320.261 2.757 0 50 DFAA O[C@@H](CN1CCC[C@@H](c2ccncn2)C1)c1ccc(F)c(F)c1 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317.352 2.516 0 50 DFAA Clc1ccc(CN2CCC[C@]3(CCc4c[nH]nc43)C2)nc1 2356144489 AJGQHNFJRINPDF-INIZCTEOSA-N 302.809 2.938 0 50 DFAA CC(C)OP(=O)(OC(C)C)[C@@]1(O)C(=O)Nc2ccccc21 2978972 MTNDFRHQDPGGNR-CQSZACIVSA-N 313.290 2.827 0 50 DFAA CCCCn1ncc(C)c1NC(=O)Cc1ccc2c(c1)OCO2 55196749 JVWQTQDCBFKRLL-UHFFFAOYSA-N 315.373 2.902 0 50 DFAA Cc1noc(C)c1[C@@H]1CCCN1CC(C)(C)N1CCOCC1 67840110 WCYCEONRJXXYCU-HNNXBMFYSA-N 307.438 2.539 0 50 DFAA CCOc1cccc(CN2CCN(CC(C)C)[C@@H](CCO)C2)c1 23359383 PGUNDTDDZFZPQP-SFHVURJKSA-N 320.477 2.610 0 50 DFAA Cc1nc(C)c(C(=O)N(C)CCc2noc(C(C)C)n2)s1 67975378 ITNJSLFXYUKLSC-UHFFFAOYSA-N 308.407 2.581 0 50 DFAA O=C(CCn1ccc2cc(Cl)ccc21)N1C[C@@H](F)C[C@H]1CO 347406612 JWFJUVFSAUMMAW-KBPBESRZSA-N 324.783 2.616 0 50 DFAA CC(C)(N)C(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 67695693 MMYXUEDQFSJYOH-CQSZACIVSA-N 312.417 2.520 0 50 DFAA C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 136360567 WSSWVVAWUNCACH-VXGBXAGGSA-N 301.390 2.719 0 50 DFAA O=C(CCCc1nc(-c2ccco2)no1)NCc1ccco1 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324.789 2.548 0 50 DFAA O=C(NC1CCCCC1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 252539137 NTYRCTWJSGUNIO-BJJXKVORSA-N 303.406 2.526 0 50 DFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCc1ncc[nH]1 534638598 COLNDVAQWLGHNE-UHFFFAOYSA-N 319.474 2.770 0 50 DFAA Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)n[nH]1 377168710 PIPYGIYPJZRZKR-UHFFFAOYSA-N 322.324 2.761 0 50 DFAA Cc1n[nH]c(C(=O)NCC2(COc3ccccc3)CC2)c1Cl 299770260 QSPKKBQFJCLJIO-UHFFFAOYSA-N 319.792 2.961 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1 294397149 JBBZTCYJEKNSSO-UHFFFAOYSA-N 324.384 2.745 0 50 DFAA COCCn1ccnc1CN1CCc2ccc(F)cc2[C@H]1C 824466096 GNSVYGVJJUWNNP-CYBMUJFWSA-N 303.381 2.788 0 50 DFAA Cc1ccccc1OC[C@@H]1CCCN(Cc2nonc2C)C1 670448086 APXYBJFDQZODPB-OAHLLOKOSA-N 301.390 2.977 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](N)C2)[C@H](C)CO1 269208386 FQYCKMKLQHHQMH-CBZIJGRNSA-N 316.445 2.801 0 50 DFAA Cc1nc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)nn1C 1875292571 MJLONACZLPMUKC-ZDUSSCGKSA-N 318.808 2.624 0 50 DFAA 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JOVYQUBFGQTEOH-BBRMVZONSA-N 302.378 2.537 0 50 DFAA Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CCO)C1 952880989 DEJYHESKASQBIE-LBPRGKRZSA-N 320.824 2.734 0 50 DFAA O=C(c1cccnc1)N1CCC(N[C@@H]2CCc3ccccc32)CC1 952983406 DMRBYMXMVQDNKR-LJQANCHMSA-N 321.424 2.963 0 50 DFAA CN(Cc1ccc2ncccc2c1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565508635 QLPAXJNJIHKYRG-CABCVRRESA-N 312.369 2.694 0 50 DFAA Brc1ccn2c(I)cnc2c1 96029229 WPELESVVBWWDOP-UHFFFAOYSA-N 322.931 2.701 0 50 DFAA in-vitro OCCn1cc(Nc2cnc3cc(Cl)c(Cl)cc3n2)cn1 170073742 IMKNFFKVMZAOLB-UHFFFAOYSA-N 324.171 2.869 0 50 DFAA COc1cc(C(=O)N2CCc3ccccc3[C@H]2CO)ccc1F 170083995 HFAYRUUQTSOUGP-MRXNPFEDSA-N 315.344 2.566 0 50 DFAA CCN(CC)CCCSc1nc2nc(C)c(C)c(C)n2n1 170605586 MWNDYAVNNBDJNU-UHFFFAOYSA-N 307.467 2.874 0 50 DFAA COc1ccnc(CS(=O)(=O)Cc2ccccc2C)c1OC 170616685 BLRPGWMCAFNOFP-UHFFFAOYSA-N 321.398 2.522 0 50 DFAA O=C(C[C@@H]1C=CCC1)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCC1 634252085 WIHPJHDDUUCLFB-NCOADZHNSA-N 314.429 2.511 0 50 DFAA CC(C)c1nnc2n1CCN(Cc1noc3c1CCCC3)[C@H]2C 189529447 UIASKLGNAWJURQ-LBPRGKRZSA-N 315.421 2.845 0 50 DFAA Cc1ccccc1-c1noc(CN2CC[C@H](n3cccn3)C2)n1 643396970 KIMVQRMERMTTKG-AWEZNQCLSA-N 309.373 2.689 0 50 DFAA O=C(CCc1ccncn1)N[C@@H](c1ccccc1)c1cccnc1 191599147 KTNYGYDFBPNPTJ-IBGZPJMESA-N 318.380 2.710 0 50 DFAA O=c1ccc(C2CC2)nn1Cc1cc(F)ccc1OC(F)F 664029937 REQFTAKGCRDJHI-UHFFFAOYSA-N 310.275 2.910 0 50 DFAA Cn1cc(CNc2ccn(-c3ncccc3F)n2)c(C(F)F)n1 681131719 BBSOZHWIHLTQIJ-UHFFFAOYSA-N 322.294 2.690 0 50 DFAA CCc1noc(NC(=O)c2cc3c(nc2OC)CCC3)c1C 1529161454 KEBBQEDODPTXMS-UHFFFAOYSA-N 301.346 2.690 0 50 DFAA Cc1nc(CC(=N)NO[C@@H]2CCCc3cccnc32)cs1 1615055814 QCXSOASTUDEGCX-CYBMUJFWSA-N 302.403 2.965 0 50 DFAA CCN(CC)c1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 11753690 QYNWZNDRRNBRPN-INIZCTEOSA-N 318.465 2.532 0 50 DFAA CCCN1CCN([C@H](C)Cc2ccc(OC)cc2)CCC1=O 12150807 JECWPPYGEJILHS-OAHLLOKOSA-N 304.434 2.571 0 50 DFAA Cc1ccc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)nc1 1857687027 IHXCKQLLZLCBLP-UHFFFAOYSA-N 322.416 2.885 0 50 DFAA Cc1nccc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1C 1875251283 VOHBXXILZJXTHA-UYAOXDASSA-N 323.440 2.961 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 4248050 DMEKKZNAEXNYJV-UHFFFAOYSA-N 304.390 2.534 0 50 DFAA C[C@@H](Nc1nccc(C(F)(F)F)n1)[C@@H](O)Cc1ccccc1 120689255 HZYBIZWUUHDMCP-PWSUYJOCSA-N 311.307 2.899 0 50 DFAA COc1ccccc1CCN(C)C(=O)c1ccc(C(=O)O)s1 237151906 NAXBPJQWYVSWGS-UHFFFAOYSA-N 319.382 2.770 0 50 DFAA COc1ccccc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 238855124 QOAMKNSIXZGURH-YUTCNCBUSA-N 303.358 2.553 0 50 DFAA in-vitro Cc1c(CN[C@@H](C)c2cc(-c3ccccc3)nn2C)cnn1C 453165185 BFKUANUKYLNEHJ-ZDUSSCGKSA-N 309.417 2.980 0 50 DFAA CCc1cccnc1C(=O)N1CCN(c2cccc(C)c2)CC1 346371781 KZOPTDCMIVTZEY-UHFFFAOYSA-N 309.413 2.915 0 50 DFAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1coc2ccccc12 135301302 PWASFFWBSAVYGY-CYBMUJFWSA-N 322.368 2.622 0 50 DFAA Cc1noc(C)c1CN1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 251976068 DJQFFYCVKYTTBH-CVEARBPZSA-N 300.358 2.592 0 50 DFAA COc1cccc([C@@H]2C[C@H]2NC(=O)c2cnn(C3CCC3)c2)c1 821838722 JFFZKSNOMLCPNV-DLBZAZTESA-N 311.385 2.903 0 50 DFAA Cc1cc(C)nc(SC[C@@H](O)COCc2ccccc2)n1 52782 YMVYDDKAGHZYLM-HNNXBMFYSA-N 304.415 2.763 0 50 DFAA O=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)CCCC2 2325809605 NNKLTOATYSMGCK-UHFFFAOYSA-N 306.369 2.949 0 50 DFAA COc1nccc2c1CN(C(=O)[C@]1(C)C[C@H]1C(F)(F)F)CC2 2325816025 GNUKPJHDSKAXCI-BXUZGUMPSA-N 314.307 2.563 0 50 DFAA COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 29400 MXYLONMLUAHFOT-UHFFFAOYSA-N 311.790 2.827 0 50 DFAA Cc1nn(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc12 98798 CJNHFNZQWSPOMX-ZDUSSCGKSA-N 321.380 2.582 0 50 DFAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 202689 DAQZCHOLHGHNIE-UGSOOPFHSA-N 317.385 2.824 0 50 DFAA biogenic O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1 425649 LZIBMYOOOXZTNN-UHFFFAOYSA-N 309.281 2.718 0 50 DFAA O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCCC1 1068066 OXQCYOROSMTBCB-UHFFFAOYSA-N 306.316 2.780 0 50 DFAA COC(=O)c1nn(-c2cccc(C)c2C)c(Cl)c1C(=O)OC 2519842 MZRVEJFEVZDVNB-UHFFFAOYSA-N 322.748 2.716 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@H]21 2356165874 JAXGTNCGGXZKDS-LESCRADOSA-N 320.433 2.624 0 50 DFAA CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(OC)c1 2992136 CZYMOKWLWRPUBE-CYBMUJFWSA-N 306.406 2.966 0 50 DFAA O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1CCCO1 4804357 YUOYNCXHWHYFHZ-ZDUSSCGKSA-N 305.765 2.702 0 50 DFAA Cc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C 6698181 XBFOINSJYANICN-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 6741794 XEOBUSLELWJDNO-UHFFFAOYSA-N 314.297 2.831 0 50 DFAA COC[C@@H]1C[C@H](OC)CN1Cc1ncc(-c2cccc(F)c2)o1 344365348 LFRUVEJIAJDKCI-GJZGRUSLSA-N 320.364 2.716 0 50 DFAA CSCC[C@@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 55132028 UAXDJRGKXGIKFV-RDVIWEACSA-N 311.491 2.823 0 50 DFAA Cc1cccc(CSc2nnc(C3CCNCC3)n2C)c1 62152625 CWRCCSHRJGIGAZ-UHFFFAOYSA-N 302.447 2.883 0 50 DFAA O=C(c1ccc(OC[C@@H]2CCCNC2)cc1)N1CCCCC1 66323509 ZXNGXJBZBMRDSQ-OAHLLOKOSA-N 302.418 2.691 0 50 DFAA CCOC(=O)c1c(C)n(C)c2ccc(O[C@@H](C)C(=O)OC)cc12 96589 XRVSJLSOULINGX-NSHDSACASA-N 319.357 2.604 0 50 DFAA biogenic O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 187795 NMSSNEBLDWGZIO-NVXWUHKLSA-N 318.332 2.722 0 50 DFAA biogenic O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2cccnc12 1058263 RWFARSXVJSIOAK-UHFFFAOYSA-N 322.246 2.880 0 50 DFAA COc1ccc(F)cc1C(=O)Nc1cccc(-c2nc[nH]n2)c1 363353818 XDKXISYKBUTOIG-UHFFFAOYSA-N 312.304 2.872 0 50 DFAA O=S(=O)(NCc1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 71639576 UAZGQQCBJNVKQP-UHFFFAOYSA-N 304.415 2.629 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)c2ccccc21 328633092 SKNBFTULOQRFJS-SUYBPPKGSA-N 311.385 2.648 0 50 DFAA CCc1noc(C)c1CN(Cc1cccnc1)C[C@@H]1CCNC1 328602931 DFKRUEGRLWFZTD-MRXNPFEDSA-N 314.433 2.552 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCO[C@H](c2cccs2)C1 122829462 GPVYCOIEOBFAMB-NSHDSACASA-N 307.350 2.888 0 50 DFAA O=C(Nc1ccccc1OCC1CC1)N1CCN2CCC[C@@H]2C1 172587226 JXYUGCSRAWYTGF-OAHLLOKOSA-N 315.417 2.787 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 124356277 SYXKVXUDXDGPMA-HONMWMINSA-N 312.335 2.629 0 50 DFAA COc1ccccc1Cc1noc(-c2cn3ccccc3n2)n1 32529594 XLSRELIQUCIOPQ-UHFFFAOYSA-N 306.325 2.984 0 50 DFAA CC1(C)C[C@]1(C(=O)N1CCn2cncc2C1)c1cccs1 72128268 KJEAYVWSWOMBBF-MRXNPFEDSA-N 301.415 2.655 0 50 DFAA CCOC(=O)c1ccc(N[C@@H]2Nc3cc(C)nn3S2)cc1 13132472 QLRGAWGWXHRWHN-CQSZACIVSA-N 304.375 2.686 0 50 DFAA Cc1ccnc(NC[C@H]2CCN(Cc3cccc4nccn34)C2)c1 376832623 OBUQFPZEPJIWNO-MRXNPFEDSA-N 321.428 2.972 0 50 DFAA CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[C@H](C)C1 341787797 IAMXZACMJKSDDR-UHOFOFEASA-N 306.837 2.996 0 50 DFAA Cn1nnc2cc(C(=O)NCC(C)(C)C3CCCC3)ccc21 130844438 KRGGIBONZQFALN-UHFFFAOYSA-N 300.406 2.915 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 263220897 YUHRSJOOQBZLDL-LBPRGKRZSA-N 315.291 2.871 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)Nc1c[nH]nc1-c1ccccc1F 283769628 LONVQNFWKZZKOH-MNOVXSKESA-N 303.337 2.969 0 50 DFAA CC(C)c1nc(CN(C)Cc2ccc3nsnc3c2)no1 77356851 KZEKGFDZVFAEQM-UHFFFAOYSA-N 303.391 2.830 0 50 DFAA Cc1nc(C(C)C)ccc1CN1Cc2ccccc2C[C@H]1C(N)=O 338904032 BPUMPPCZNNTNRH-IBGZPJMESA-N 323.440 2.926 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 44137735 IPDHHWCHJZHKMH-LLVKDONJSA-N 300.399 2.911 0 50 DFAA CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccncc2F)n[nH]1 289213657 WUTLCNZZVPOMIQ-CYBMUJFWSA-N 317.368 2.830 0 50 DFAA Cc1cc(C)n([C@H](C)C(=O)N2CC(Oc3ccccc3C)C2)n1 82133532 TVKDHONPNIRYBW-OAHLLOKOSA-N 313.401 2.659 0 50 DFAA O=C(c1ccc2c(c1)CCCO2)N1CCC[C@@H](c2cc[nH]n2)C1 426470547 HAEXRILZRVEJOP-OAHLLOKOSA-N 311.385 2.755 0 50 DFAA CCOCCN1CCN(C(=O)c2ccc3oc(C)cc3c2)CC1 91411479 LKVGVCSBLWOCHI-UHFFFAOYSA-N 316.401 2.536 0 50 DFAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cscn2)C1 91808612 XEEZLLZRNVFOQU-HNNXBMFYSA-N 308.403 2.806 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1 180157665 LFRBUOBUUCTHJE-RISCZKNCSA-N 307.296 2.814 0 50 DFAA C[C@H]1CN(C(=O)Cc2n[nH]c3ccccc23)Cc2ccccc2O1 293856881 KDTMBRVYRBVGQZ-ZDUSSCGKSA-N 321.380 2.915 0 50 DFAA COc1ccc2c(c1)[C@H](C(=O)NCC1=CCCCC1)CC(=O)N2 91325936 MZRKZVFXQAMREW-OAHLLOKOSA-N 314.385 2.738 0 50 DFAA CC(C)C(=O)Nc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)ccn1 294591878 OCJMQNYNLCXWOJ-OLZOCXBDSA-N 303.406 2.794 0 50 DFAA Cc1nc(NC[C@H]2CCCN2C2CCCCC2)cc2nncn12 298531256 CKTTZDGIURTLCZ-OAHLLOKOSA-N 314.437 2.642 0 50 DFAA CCc1ccc(CN(C)Cc2nc(C(F)(F)F)no2)nc1 252482710 DMIBPLKMFQDYTL-UHFFFAOYSA-N 300.284 2.678 0 50 DFAA Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 264658203 YEYWGBCXMCPRBN-QGZVFWFLSA-N 301.434 2.765 0 50 DFAA Cc1nc2ccc(Cl)cn2c1CN(C)C[C@H]1CCCN1C 584901755 LWWSYMFYYOHVKZ-CQSZACIVSA-N 306.841 2.822 0 50 DFAA C[C@](O)(CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1CC1 270012168 FTVPTCDWYGFIIA-WBVHZDCISA-N 323.820 2.791 0 50 DFAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 65337426 SJIVVBIUXVKZDK-OLZOCXBDSA-N 301.308 2.860 0 50 DFAA in-vitro Cn1nc(C(=O)NC[C@H]2CCC(F)(F)C2)c2cc(F)ccc21 1875283780 FUFXZCSEXMVYEK-VIFPVBQESA-N 311.307 2.878 0 50 DFAA CN(CCC(=O)O)C(=O)c1cccnc1Nc1cccc(F)c1 1875263699 VTBTTZDGMDSNHS-UHFFFAOYSA-N 317.320 2.511 0 50 DFAA C[C@@H](CCc1ccccc1F)NC(=O)[C@H]1CC(C2CC2)=NO1 1875327612 BOGJWUOEFNQMJC-MEDUHNTESA-N 304.365 2.818 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1CCNC12CCC2 877003597 AQAPMJWJYRPXIE-SNVBAGLBSA-N 302.296 2.621 0 50 DFAA Cc1ccnc([C@H](C)NC[C@@H]2CCCO[C@H]2c2nccn2C)c1 886081877 AOHDCDJVVVEKNF-YQQAZPJKSA-N 314.433 2.942 0 50 DFAA CC(C)CC[C@@H](C)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1775961000 MDUMRKGCGKAGIL-NFAWXSAZSA-N 308.426 2.874 0 50 DFAA Cc1cnc(C(C)(C)NC(=O)[C@H]2COc3ccc(Cl)cc32)[nH]1 1775986584 DZDOEJOXCICEIZ-LBPRGKRZSA-N 319.792 2.899 0 50 DFAA O=C(Nc1cccnn1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1361301497 VHEJQMKLHJSDSX-NWDGAFQWSA-N 305.284 2.820 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1c2ccccc2O[C@H]1C 899785574 IBKIZOJHDFPGPK-OZVIIMIRSA-N 305.374 2.762 0 50 DFAA CCc1nc(CN2CCN(c3ccc(F)cn3)CC2)cs1 271820153 ZWRGXFGLTYPTJK-UHFFFAOYSA-N 306.410 2.562 0 50 DFAA OCC1(Cc2ccccc2)CCN(CCc2ccccn2)CC1 277622855 APDPTUIZMREAMP-UHFFFAOYSA-N 310.441 2.941 0 50 DFAA CNC(=O)CCCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 170601876 WSQJRKFUEJMLOX-OAHLLOKOSA-N 306.381 2.796 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)C12CCCCC2 187132029 ANJRVYXPCSZQBW-HZPDHXFCSA-N 319.449 2.813 0 50 DFAA Fc1ccc2ccc(CNCCCn3cccn3)nc2c1F 585086345 GGNKXRKXMNUWSL-UHFFFAOYSA-N 302.328 2.889 0 50 DFAA Cc1noc([C@@H]2COCCN2Cc2cc(Cl)ccc2F)n1 188484032 PRLPXLSNBAKGKT-ZDUSSCGKSA-N 311.744 2.744 0 50 DFAA Cc1ccc(-c2cc(C(=O)N(C)CC3(CO)CC3)[nH]n2)cc1C 189141933 HZVDONXGDJGJDZ-UHFFFAOYSA-N 313.401 2.538 0 50 DFAA CCN1CCN(C(=O)c2ccc(-c3ccc(C)nn3)cc2)[C@H](C)C1 648900747 CDTJTXNYIJMANL-OAHLLOKOSA-N 324.428 2.618 0 50 DFAA Cc1ccc([C@@H](C(=O)O)N(C)Cc2nncn2C(C)C)cc1F 1506409676 ZFNVESDEPYTIKD-HNNXBMFYSA-N 320.368 2.564 0 50 DFAA Cc1cc(C)cc(C(=O)N2CCC[C@@H](CN=S(C)(C)=O)C2)c1 1616038970 VELMWLURLVAYQV-HNNXBMFYSA-N 322.474 2.883 0 50 DFAA Cc1cc(C)c(-n2cccn2)c(CN2CCC[C@H]2C2(O)CC2)c1 1772803903 ACTWCGUXMKMKSA-KRWDZBQOSA-N 311.429 2.978 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)NCc1[nH]nc2ncccc12 1772819468 UVAHBOMHQZKEFD-CYBMUJFWSA-N 306.369 2.694 0 50 DFAA Cc1nc(NC[C@@H](CO)Cc2ccco2)c2ccsc2n1 1772706612 GIHGMWYLMSBRBV-NSHDSACASA-N 303.387 2.856 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(COCC(F)(F)F)o2)C[C@@H](C)O1 13153450 BHLNMIAQNJIKQH-AOOOYVTPSA-N 321.295 2.608 0 50 DFAA COc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 13331282 AHKDWBBTYOSVEE-UHFFFAOYSA-N 312.354 2.861 0 50 DFAA COc1cccc(CN2CCN(CC(C)(C)C)CCC2=O)c1 14993723 VJLUIUDXUSXEQH-UHFFFAOYSA-N 304.434 2.776 0 50 DFAA Cc1ccc2nc(SCC(=O)Nc3nnc(C)s3)[nH]c2c1 18227695 PVWVIBFBZAMDHR-UHFFFAOYSA-N 319.415 2.762 0 50 DFAA CCCN1CCC(N2CCN(c3cc(C)nc(C)c3)CC2)CC1 19840036 GCNGZBVTMDNDTN-UHFFFAOYSA-N 316.493 2.695 0 50 DFAA NC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCCCC1 154363815 KHXMPQBUNNLUQY-UHFFFAOYSA-N 316.445 2.513 0 50 DFAA COc1cnc(C)cc1-c1nc(CC(C)C)nn1[C@@H]1CCOC1 1857679047 DMWSFAKJRLZHDV-CYBMUJFWSA-N 316.405 2.817 0 50 DFAA Cc1cccc2nc([C@H]3CCCN3CC3COCCOC3)[nH]c12 1857686755 GHDWLBAIRQMLAY-MRXNPFEDSA-N 315.417 2.671 0 50 DFAA CCC[C@@]1(CO)CN(Cc2cc(F)ccc2Cl)CC[C@@H]1O 1857723667 QCMBTJJSDJMQOK-HOTGVXAUSA-N 315.816 2.825 0 50 DFAA COc1ncccc1CN[C@@H](CO)c1ccc(Cl)c(F)c1 225616208 MMDWUSWXJVKVLZ-AWEZNQCLSA-N 310.756 2.706 0 50 DFAA O=C(c1cscn1)N1CCC[C@H](c2ncc3n2CCCC3)C1 252506037 VXERENODKIDFDB-LBPRGKRZSA-N 316.430 2.696 0 50 DFAA O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@@H]1c1cn[nH]c1 154807479 XYCLBVJGWKLQCT-OAHLLOKOSA-N 305.328 2.984 0 50 DFAA C[C@]1(O)CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 373838396 YLLRVAOSABLNMC-WBVHZDCISA-N 324.465 2.815 0 50 DFAA Cc1nc(CNC(=O)c2cc[nH]c2C2CCC2)ccc1[C@@H](C)O 813506723 NBIKZIZJXJZZGR-GFCCVEGCSA-N 313.401 2.969 0 50 DFAA COc1cc(F)c([C@H](C)N[C@@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)cc1OC 925065293 NFORXFASNXBOSB-MMKQWMKDSA-N 321.392 2.917 0 50 DFAA CN(C)[C@@H](CNC(=O)NC1C2(CC2)C12CC2)c1ccsc1 2325761476 SHVZTUVKZJDEIT-LBPRGKRZSA-N 305.447 2.593 0 50 DFAA C[C@@H]1CCCc2c(C(=O)NCc3nc4ccccc4o3)cnn21 2325792936 WZGFGXOJCVURLT-LLVKDONJSA-N 310.357 2.852 0 50 DFAA C[C@@H](NC(=O)c1cncc2c(Cl)cccc12)[C@H]1CCN(C)C1 2325802315 ZBJYOWICIFCBSF-NEPJUHHUSA-N 317.820 2.958 0 50 DFAA O[C@H]1c2ccccc2OC[C@H]1NCc1cccc(-c2cn[nH]c2)c1 2325854311 XHKMOGMTVNHPLM-MJGOQNOKSA-N 321.380 2.661 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 553646 QYIFCIARMGNYOC-ZDUSSCGKSA-N 306.412 2.859 0 50 DFAA CNC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 7597203 CQZBAWBRYVTSPN-UHFFFAOYSA-N 312.369 2.681 0 50 DFAA Cc1ccc(C(=O)NCCOCC(F)(F)C(F)F)cc1F 225495659 QGFHQLUMXGBABJ-UHFFFAOYSA-N 311.250 2.781 0 50 DFAA CCCn1nccc1C(=O)N(Cc1ccsc1)[C@@H](CC)CO 55325687 GUHOEBNFZODBGO-AWEZNQCLSA-N 321.446 2.768 0 50 DFAA COc1cccc(SCC(=O)NCc2cccc(CO)c2)c1 175903084 CXDRITPDNVPLAP-UHFFFAOYSA-N 317.410 2.596 0 50 DFAA COc1cc(-c2ncc(F)c(N3CCCC3)n2)c(Cl)cn1 215678814 KTLZFTXTHSUAJR-UHFFFAOYSA-N 308.744 2.940 0 50 DFAA O=C(NCCC1=CCOCC1)c1ccc2nc(S)oc2c1 121325017 HABZHPXNUFNRHE-UHFFFAOYSA-N 304.371 2.583 0 50 DFAA CC(C)c1cc(C(=O)NCc2csc(N3CCCC3)n2)no1 65529503 ZEBWNSKUHCNZAQ-UHFFFAOYSA-N 320.418 2.785 0 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237409182 ABQSWNCUVLGTNN-PRHODGIISA-N 304.287 2.796 0 50 DFAA Cc1cc(CNc2ncc(C(F)F)cn2)cc(N2CCCC2)n1 450533032 SJDBYJVYWVPGBS-UHFFFAOYSA-N 319.359 3.330 0 50 DFAA CCCNC(=O)OC[C@H]1CCCCN1Cc1cncc(F)c1 287412542 OPFPUTDLDUDPSK-OAHLLOKOSA-N 309.385 2.711 0 50 DFAA O=C1CCC[C@H](Cc2nc(Cc3cccc(Cl)c3)no2)N1 289581351 GBKJGQPAKYZVTA-GFCCVEGCSA-N 305.765 2.525 0 50 DFAA CCCC[C@@H](CC)CN1CCC(Cn2cc(CCO)nn2)CC1 48246294 MQCOJVWHDRRJMT-MRXNPFEDSA-N 322.497 2.741 0 50 DFAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)Cc1cccnc1 82134048 JSKSALWZGWKMLS-QGZVFWFLSA-N 309.413 2.609 0 50 DFAA CC(C)Cc1cc(-c2nccn2-c2ccc(C(N)=O)cc2)n[nH]1 82134061 QMSWQTRXXZHDSV-UHFFFAOYSA-N 309.373 2.560 0 50 DFAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)NC1CCOCC1 95361453 XVYHBOKZAKBYNY-HNNXBMFYSA-N 315.417 2.845 0 50 DFAA O[C@H]1CCN(c2ccnc(-c3ccccc3C(F)(F)F)n2)C1 97413223 AIQNIRDKTUNKBV-JTQLQIEISA-N 309.291 2.733 0 50 DFAA CCc1cc(C(=O)NCCCSCc2ccco2)cc(=O)[nH]1 97759290 KFDFZQYHEKLELO-UHFFFAOYSA-N 320.414 2.584 0 50 DFAA CC(C)C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95496937 DZHJDEOIXSDVON-CYBMUJFWSA-N 318.446 2.750 0 50 DFAA Cc1cccc(CN2CCN(Cc3ccncc3C)[C@@H](C)C2=O)c1 244794972 QXIYFOROZDUPSP-KRWDZBQOSA-N 323.440 2.931 0 50 DFAA O=C1CC[C@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)N1 184383691 MDCJZYZKPKXTBN-MRXNPFEDSA-N 306.365 2.521 0 50 DFAA C[C@H](C(=O)Nc1n[nH]c(CCC2CCCC2)n1)n1cccc1 263587916 MUPKKEJHFXPFKL-GFCCVEGCSA-N 301.394 2.929 0 50 DFAA Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)nc1C 534651177 LJXJSKBNMOKFBK-QGZVFWFLSA-N 310.397 2.962 0 50 DFAA O=C(c1ccc(-c2cnn(CCO)c2)cc1)N1CCCCCC1 534649862 FLNDMQSGLKSFHI-UHFFFAOYSA-N 313.401 2.559 0 50 DFAA COCC1(C(=O)NCc2cc(-c3ccc(F)cc3)no2)CCC1 299795843 NCACTGNYYSRCMU-UHFFFAOYSA-N 318.348 2.914 0 50 DFAA Cc1cnc(CN2CCC[C@@H](c3nc4ccccc4n3C)C2)[nH]1 584898886 OORGKGZPZHVAPI-CQSZACIVSA-N 309.417 2.984 0 50 DFAA C[C@H]1CCc2c(sc3nc(-c4ncc(O)cn4)nc(O)c23)C1 585137091 HTRUUMLANFVWSV-ZETCQYMHSA-N 314.370 2.684 0 50 DFAA CCc1nccn1CCCNC(=O)c1ccc2c(c1)CCCO2 670458232 KPJNSILIVRJWRA-UHFFFAOYSA-N 313.401 2.591 0 50 DFAA C[C@@H]1CCN(c2cc(C3CCCCC3)ncn2)[C@H](C(N)=O)C1 1875288103 NNWBVYUEJPWSBL-DOMZBBRYSA-N 302.422 2.615 0 50 DFAA CC(C)(C)OC(=O)NCCCC(=O)N=[S@@](C)(=O)C(C)(C)C 952964743 WDVZWJUXYVRDPJ-NRFANRHFSA-N 320.455 2.714 0 50 DFAA COC(=O)[C@@H]1CCCc2cc(OC[C@@H]3C[N@]3CC3CC3)ccc21 1875385688 ZBQFORAGRYEZIS-CVAIRZPRSA-N 315.413 2.753 0 50 DFAA O=C(N[C@H]1c2ccccc2CC1(F)F)[C@@H]1CC(C2CC2)=NO1 1875312171 VJVNHVPJMYZUQB-KBPBESRZSA-N 306.312 2.590 0 50 DFAA CC(C)CN1C[C@@H](c2noc([C@H]3CC(C)(C)CO3)n2)CCC1=O 1875303488 AKPDEKDGRXBYRT-QWHCGFSZSA-N 321.421 2.919 0 50 DFAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)NC2CCCC2)o1 1875304441 KJYGQWHCBXHJJP-ZBEGNZNMSA-N 304.394 2.595 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)[C@@H](C)OCC(F)(F)F)CCO2 952845466 YFEVDQNTLIHJHT-LLVKDONJSA-N 317.307 2.683 0 50 DFAA CC[C@H]1CCCC[C@@H]1OCc1nc(C2CN(C(C)=O)C2)no1 1875280299 QVUYSTDRFIYJJM-JSGCOSHPSA-N 307.394 2.501 0 50 DFAA CN(Cc1cc(-c2ccccn2)no1)C(=O)C(C)(C)n1cccc1 952872628 PZWQMVHMZZZUIY-UHFFFAOYSA-N 324.384 2.932 0 50 DFAA COc1cnc(N(C)C(=O)c2oc(C3CC3)nc2C(F)F)nc1 1772128493 QRSTVLOFNVBRJI-UHFFFAOYSA-N 324.287 2.565 0 50 DFAA CC(C)c1ccccc1-c1nc([C@H]2CCS(=O)(=O)C2)no1 896008900 HRJCUWYFQUZCIK-NSHDSACASA-N 306.387 2.762 0 50 DFAA CC1(/C=C/C(=O)N2CCOC3(CCCCC3)C2)CCOCC1 408519538 IPIHBPFEEVUVLK-VMPITWQZSA-N 307.434 2.921 0 50 DFAA COc1csc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c1 220476026 JTGMRIPHCPWFJV-USWWRNFRSA-N 309.387 2.615 0 50 DFAA Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H](O)C(F)(F)F)s1 275176387 UKTSELLCHAWZJF-NSHDSACASA-N 318.320 2.705 0 50 DFAA Cc1cc(F)c(Br)cc1NC(=O)c1ccnn1C 191189697 CZNZWVIONIHAIN-UHFFFAOYSA-N 312.142 2.882 0 50 DFAA CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 192698293 WQFCRGAOHNFNNA-SFHVURJKSA-N 322.408 2.950 0 50 DFAA CC1(C)C[C@@H](NCc2ncc[nH]2)CCN(C(=O)OC(C)(C)C)C1 710366898 JJCSEHCYIWPIOH-ZDUSSCGKSA-N 322.453 2.925 0 50 DFAA CCC(CC)(CNC(=O)c1ccc2ccncc2c1)C(=O)O 652064328 LKGQFQQOIUJOIR-UHFFFAOYSA-N 300.358 2.856 0 50 DFAA Cc1cnc(OC2CCN(Cc3ccncc3Cl)CC2)nc1 653799794 AOUIFHZAFZHJKB-UHFFFAOYSA-N 318.808 2.877 0 50 DFAA CC(C)Sc1nnc(NC(=O)c2cc(C(F)F)[nH]n2)s1 1506421176 GCUAQMOFGFYMHA-UHFFFAOYSA-N 319.362 2.952 0 50 DFAA C[C@@H]1CCCN(C(=O)CCc2cc(Cl)cs2)[C@H]1CN 237494419 MMNWXLLQAQGAMZ-MFKMUULPSA-N 300.855 2.920 0 50 DFAA Cc1ccc2[nH]c(CN(CCO)Cc3[nH]cnc3C)c(C)c2c1 1772700454 DZGJNQZZACFXCO-UHFFFAOYSA-N 312.417 2.811 0 50 DFAA COc1cccc(C(=O)[C@H]2CCCN(Cc3cc(C)n[nH]3)C2)c1 12317435 BNHBDQHGOGNPLR-HNNXBMFYSA-N 313.401 2.822 0 50 DFAA COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccn2)cc1C 12420532 DNRDAIKLTXVHSK-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA N=c1cc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc[nH]1 1857704898 JZCXUQXGVUVTSR-JKSUJKDBSA-N 311.433 2.622 0 50 DFAA COCCn1nc([C@H](C)O)nc1-c1scc2c1CCCC2 1857713053 BFHJOHRZFNVYQY-JTQLQIEISA-N 307.419 2.585 0 50 DFAA CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 408055852 BFVRPIBBUZNRIE-MGPQQGTHSA-N 315.479 2.675 0 50 DFAA COc1ccc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)cc1 330032404 MPIQNVBKDBZHEN-INIZCTEOSA-N 318.398 2.520 0 50 DFAA c1cnc(-c2ccnc(N[C@H]3CCCC34CCOCC4)n2)cn1 333693216 MUYJZLAXXRECBA-HNNXBMFYSA-N 311.389 2.695 0 50 DFAA CCn1nnc(C)c1CN1C[C@H](c2ccccc2)O[C@H](C)C1 449021018 RYVSIBYNPJPRJS-CXAGYDPISA-N 300.406 2.568 0 50 DFAA C[C@H]1CCCC[C@H]1OCC(=O)NCc1cccc(C(=O)O)c1 344448195 TZTUDJIAQKVJRF-SWLSCSKDSA-N 305.374 2.596 0 50 DFAA COc1cncc([C@H]2CCN(C(=O)c3cc(Cl)cn3C)C2)c1 585087683 GQIIJWWDQAOQHT-NSHDSACASA-N 319.792 2.712 0 50 DFAA O=C(N[C@H]1CCCc2ccccc21)[C@H]1CC(c2ccccn2)=NO1 905070276 KPOVDYXHESILLJ-MAUKXSAKSA-N 321.380 2.768 0 50 DFAA CC(C)c1cc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)on1 906251669 QVXLDQCJZLTJEP-UHFFFAOYSA-N 321.283 2.675 0 50 DFAA O[C@@H](c1cc(F)ccc1F)C1CCN(c2ncc(F)cn2)CC1 840331200 JJYKHRRBELQZGA-OAHLLOKOSA-N 323.318 2.844 0 50 DFAA O=C1C[C@@H](CC(=O)Nc2ccc3ncsc3c2)CCCN1 2325776129 PTBHINDBEOZHTG-JTQLQIEISA-N 303.387 2.541 0 50 DFAA Cc1sc([C@@H](C)N)nc1C(=O)Nc1nc2ccccn2c1C 2325789320 JWTFQUCVQLLDIS-MRVPVSSYSA-N 315.402 2.680 0 50 DFAA COc1ccn2ncc(C(=O)Nc3ccc([C@H](C)N)cc3)c2c1 2325858347 JSHBAIXSJOHZAP-NSHDSACASA-N 310.357 2.615 0 50 DFAA Cn1c(CN[C@@H]2CC(C)(C)OC2(C)C)nnc1-c1ccccc1 132444137 SJGPACHQDAROOO-CQSZACIVSA-N 314.433 2.918 0 50 DFAA COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 96523 VDZZZOBGIZHNHT-LLVKDONJSA-N 304.173 2.921 0 50 DFAA CCCn1nnc(NC(=O)COc2ccc([C@H](C)CC)cc2)n1 561028 HDRDBOJENWTGCY-GFCCVEGCSA-N 317.393 2.614 0 50 DFAA Oc1ccccc1N1CCN(C(=S)Nc2ccccc2)CC1 620092 MBSXDJIBHMMWJO-UHFFFAOYSA-N 313.426 2.911 0 50 DFAA CCOC(=O)C1=NN[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 4677163 QMURMMKDJQPFOC-JKSUJKDBSA-N 322.364 2.544 0 50 DFAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(OC(C)C)c(OC)c1 343865792 GWKJDNNAXHSTRT-JKSUJKDBSA-N 323.433 2.718 0 50 DFAA CCc1nnc(NC(=O)c2ccc([C@@H]3CCCN3)s2)s1 23543348 ZTMXUISODJFHQF-QMMMGPOBSA-N 308.432 2.839 0 50 DFAA C[C@H](OC(=O)c1ccco1)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248379033 LKQAPZPUMIOBHZ-HTVCTNPSSA-N 305.374 2.766 0 50 DFAA c1ccc(-n2nnnc2SCCNCC2CCCCC2)cc1 10475420 CHSGUGISNUQPGG-UHFFFAOYSA-N 317.462 2.924 0 50 DFAA Cc1cc(NCCc2nnc(N)s2)nc(-c2ccccc2)n1 65432214 MCAVCDYTMVRPKW-UHFFFAOYSA-N 312.402 2.540 0 50 DFAA Cc1ccccc1N1CCN(Cc2ccc(CO)o2)[C@H](C)C1 65495396 GVXQZOZYJDGCAB-OAHLLOKOSA-N 300.402 2.791 0 50 DFAA c1cncc(-n2cccc2CN2CCC[C@H](Cn3ccnc3)C2)c1 65394986 RFYXJDISEMMLKA-KRWDZBQOSA-N 321.428 2.981 0 50 DFAA Cc1nnc(-c2cccc(-n3nc(C(=O)O)cc3C)c2)s1 67841693 ZSQZWYBOTGIWSI-UHFFFAOYSA-N 300.343 2.706 0 50 DFAA Cc1cc2cccc(C(=O)N(C[C@@H]3CCC(=O)N3)C(C)C)c2o1 67676025 FQFZEXKGHPLZEY-AWEZNQCLSA-N 314.385 2.870 0 50 DFAA COc1cccc(CNS(=O)(=O)c2ccc(SC)cc2)c1 64572440 FQDOUILXBXKUAE-UHFFFAOYSA-N 323.439 2.896 0 50 DFAA CN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)c1nc2ccccc2n1C 120302046 BTOZKCDSMWODDZ-ZIAGYGMSSA-N 306.369 2.735 0 50 DFAA C[C@@H]1CCCN1CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 252486559 LLDLQGCRQHEZQT-ZLDLUXBVSA-N 308.372 2.669 0 50 DFAA CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cn[nH]c1C 172384349 AUDNADVKEFWWAB-YGRLFVJLSA-N 307.781 2.878 0 50 DFAA CS[C@H](C)CNC(=O)Nc1ccc(Br)cn1 122124649 YQZQCTGJDARXPU-SSDOTTSWSA-N 304.213 2.717 0 50 DFAA COC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 2536613 OVOUTNXAAWPRPF-UHFFFAOYSA-N 300.236 2.725 0 50 DFAA CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)n(C)n1 2798460 NCEWBXVLNZTCPV-UHFFFAOYSA-N 307.737 2.503 0 50 DFAA CN1C(=O)[C@](O)([C@@H]2C[C@H](C(C)(C)C)CCC2=O)c2ccccc21 4557862 NOXDVAUQYFVDDK-BBEGDGIKSA-N 315.413 2.882 0 50 DFAA COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 7718853 HRMIUISNDCWUKE-UHFFFAOYSA-N 312.281 2.714 0 50 DFAA Cc1noc([C@@H]2[C@@H](C)OCCN2CCc2ccc(F)c(F)c2)n1 332003449 CDQBAMUDDMPXFE-BMIGLBTASA-N 323.343 2.661 0 50 DFAA O=C(c1ccncc1Cl)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282611141 RMPKLGGDLUGCAS-WFASDCNBSA-N 320.751 2.822 0 50 DFAA OC1(CN2CCCC2)CCN(Cc2ccc(Cl)cc2)CC1 215034293 IQLUBLQIHYIWAT-UHFFFAOYSA-N 308.853 2.763 0 50 DFAA Cn1cc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)cn1 173035427 ZBJQGDLUVUVDNN-UHFFFAOYSA-N 307.329 2.776 0 50 DFAA O=C(CSCc1cccnc1)Nc1n[nH]c2cc(F)ccc12 356812634 DDYCSTHCSVHEDT-UHFFFAOYSA-N 316.361 2.969 0 50 DFAA Cc1ncsc1CCC(=O)NCCC(=O)Nc1ccccc1 215472022 SYBHNGPSRDGWNM-UHFFFAOYSA-N 317.414 2.529 0 50 DFAA CCc1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)on1 216363674 SGMYGUDXOGUEEI-UHFFFAOYSA-N 309.373 2.721 0 50 DFAA COc1ccc(CCN2CCC[C@@H](N3CCCCC3=O)C2)cc1 363501200 UYSNRRXOKJJXLU-QGZVFWFLSA-N 316.445 2.715 0 50 DFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ncc(C2CCNCC2)s1 333335576 WZSQHCJUWBRBJQ-JSGCOSHPSA-N 323.462 2.610 0 50 DFAA CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)C1CCNCC1 237091201 KDZKTMJVTCXPII-RYUDHWBXSA-N 310.800 2.793 0 50 DFAA Cc1[nH]c2ccc(C(=O)N3CCC[C@@](F)(CO)C3)cc2c1C 367817450 YLSQHVQAPSXMRC-KRWDZBQOSA-N 304.365 2.721 0 50 DFAA COc1ccc(CN(C)C(=O)c2ccnc(OC(F)F)c2)cc1 448569837 DORQLRGGFZMQTF-UHFFFAOYSA-N 322.311 2.964 0 50 DFAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 237611542 RQDHUQVOAMWSQS-UHOFOFEASA-N 301.386 2.810 0 50 DFAA COc1ccccc1N1CC[C@@H](NC(=O)c2ccoc2C)C1 157010233 VIDROYQLTRFRLD-CYBMUJFWSA-N 300.358 2.605 0 50 DFAA CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1noc(C2CCC2)n1 495672533 KHGTUMVKDXOUBW-GFCCVEGCSA-N 322.409 2.561 0 50 DFAA O=C(O)[C@@H]1C[C@H]1c1ncc(Br)cc1Br 130023324 MXVXLWFKQJZHHK-PHDIDXHHSA-N 320.968 2.795 0 50 DFAA CC[C@H](NC(=O)COCC(F)(F)C(F)F)c1cc(C)ccn1 219268467 BWHVKBUNQOKVMQ-JTQLQIEISA-N 322.302 2.874 0 50 DFAA C[C@H](NC(=O)c1cnc2n1CCCC2)c1ccc(Cl)cn1 376278486 HIXPTZUFDOJTLZ-JTQLQIEISA-N 304.781 2.759 0 50 DFAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc[nH]3)C2)c1 77522777 NKYQNEZVMOYUSI-GFCCVEGCSA-N 300.358 2.662 0 50 DFAA COc1ccc(CCn2cc(C(=O)O)c3ccccc3c2=O)cc1 72220551 JYXLFTZGYWWJIG-UHFFFAOYSA-N 323.348 2.951 0 50 DFAA CNC(=O)c1ccc(CNC(C)(C)c2ncc(C)s2)cc1 175980695 RXLBTOCOTMJXRJ-UHFFFAOYSA-N 303.431 2.836 0 50 DFAA CC(=O)NC(C)(C)c1noc(-c2ccc3ccccc3c2O)n1 184868150 ROMREXCMUIYTPZ-UHFFFAOYSA-N 311.341 2.967 0 50 DFAA O=C(CC[C@@H]1CCOC1)NC1CCN(Cc2ccccc2)CC1 176629089 AMIPYBNOQSEABD-QGZVFWFLSA-N 316.445 2.584 0 50 DFAA Cc1nc([C@H]2CCCN2C[C@@H](O)c2ccccc2Cl)no1 222187242 YFIUNHHVKYIYLX-ZIAGYGMSSA-N 307.781 2.902 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)C1Cc2ccccc2C1)C1CC1 426383335 QXZGUELJYWGMEB-UHFFFAOYSA-N 323.440 2.943 0 50 DFAA CNC[C@H]1CCN(C(=O)c2sc(C)nc2-c2ccccc2)C1 178962269 CKNDAANXRKSYRB-CYBMUJFWSA-N 315.442 2.800 0 50 DFAA O=C(Nc1cccc2cn[nH]c12)N[C@@H]1COC2(CCCC2)C1 96153808 XENTWGWNLJFOAE-LBPRGKRZSA-N 300.362 2.786 0 50 DFAA CC(C)(C)c1csc(Cn2cc([C@@H]3CCCNC3)nn2)n1 95386795 QGIUZIAGFAGCQY-LLVKDONJSA-N 305.451 2.547 0 50 DFAA OC[C@H]1CN(Cc2ccc(Cl)s2)C[C@H]1CN1CCCC1 91781317 OYQLUJRUCVJFOZ-CHWSQXEVSA-N 314.882 2.538 0 50 DFAA CCN(Cc1cnn(CC)c1)C(=O)[C@H]1COc2ccccc2C1 95497011 MGYDKRLDKBKJAK-MRXNPFEDSA-N 313.401 2.503 0 50 DFAA CCOc1ccccc1CN1CCC[C@](CO)(CCOC)C1 92061684 FUMCULQJEMWVRX-SFHVURJKSA-N 307.434 2.696 0 50 DFAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cccn1C 91550473 VUUPAEPRGDAQEO-OAHLLOKOSA-N 300.406 2.615 0 50 DFAA CN(CCCNC(=O)[C@@H]1CCCCCN1C)c1ccccc1 95371735 AZNNZPBYQWONHT-KRWDZBQOSA-N 303.450 2.504 0 50 DFAA Cc1ncsc1CCNC(=O)N[C@H]1CCc2c(O)cccc21 297796406 DXMMJKJONKVBCX-ZDUSSCGKSA-N 317.414 2.686 0 50 DFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCc2c(F)cccc21 183749218 GSVJLODJWYTSOM-UHFFFAOYSA-N 322.343 2.674 0 50 DFAA CC(=O)N[C@H](C)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 534652380 JETDMMJDLYLAOB-GFCCVEGCSA-N 317.410 2.954 0 50 DFAA CC(C)(C)OC(=O)NC[C@H](c1ccccc1)N1CCOCC1 264762462 QDCSWXAMSBGSCR-OAHLLOKOSA-N 306.406 2.585 0 50 DFAA CCN(C)C1(CNC(=O)c2nn(C)c3ccccc23)CCCC1 534577288 AOSYEWFGMNEKAI-UHFFFAOYSA-N 314.433 2.568 0 50 DFAA CO[C@H](C)CNC(=O)N(C)CCn1c(C)cc2ccccc21 534583451 RPFKKISBKSREPQ-CQSZACIVSA-N 303.406 2.626 0 50 DFAA CCOCC(=O)Nc1cc(C)nn1Cc1cccc(Cl)c1 1940198088 MNEZRQBKUFQKEX-UHFFFAOYSA-N 307.781 2.868 0 50 DFAA CCCCn1ccnc1C1CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1 91440194 KHDMSRWPAFRMAN-JKSUJKDBSA-N 318.465 2.517 0 50 DFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 299757629 HZWDXEXTMVIODF-OAHLLOKOSA-N 313.401 2.660 0 50 DFAA CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)O)n1 725374692 FNLVOVPLBLWMRC-UHFFFAOYSA-N 317.139 2.889 0 50 DFAA CN1CCC(c2nnc3sc(-c4cccc(F)c4)nn23)CC1 823766037 VLUPQHWDSDGPFO-UHFFFAOYSA-N 317.393 2.801 0 50 DFAA CNC(=O)C1(C)CCN(CC[C@@H](C)CCCC(C)(C)O)CC1 670468808 WOKPAPQSXZTVGF-HNNXBMFYSA-N 312.498 2.802 0 50 DFAA c1coc(CN2CCC(NCc3ccc4nc[nH]c4c3)CC2)c1 670460073 BXHUQXVQGIYGAO-UHFFFAOYSA-N 310.401 2.910 0 50 DFAA CC(C)CCOc1ccc(CCNC(=O)c2ncc[nH]2)cc1 670469508 IEPZGSYCWSTXPR-UHFFFAOYSA-N 301.390 2.807 0 50 DFAA OC[C@]12CCC[C@@]1(F)CN(C[C@]1(c3ccccc3)CCOC1)C2 1875404643 POIGLQYFHBLGHW-GUDVDZBRSA-N 319.420 2.531 0 50 DFAA Cn1ncc2c(NCc3nncn3-c3ccccc3)cccc21 1875264294 QBHWYEVDTNKWAN-UHFFFAOYSA-N 304.357 2.766 0 50 DFAA COc1ccc(Cl)cc1-c1cc(N2CCC(O)CC2)ncn1 952970088 QMUNDPAYOUKVCI-UHFFFAOYSA-N 319.792 2.767 0 50 DFAA C[C@@H]1Cc2cc(NC(=O)CCN3CCCCCC3=O)ccc2O1 952975819 LMGHDEIYTYRMRS-CYBMUJFWSA-N 316.401 2.741 0 50 DFAA Cn1ccnc1[C@H]1CC[C@@](C(=O)O)(n2cnc3ccccc32)C1 1776004425 RQPFWNOOJUIYRR-YVEFUNNKSA-N 310.357 2.517 0 50 DFAA CCn1c(S)nnc1CCNc1ccc(C(F)(F)F)cn1 1776003868 BJSQKJABZHPNRQ-UHFFFAOYSA-N 317.340 2.655 0 50 DFAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@H]2C=C[C@@H]1C2 1565506646 MBSSMXVVSVVNOY-JQHSSLGASA-N 307.397 2.760 0 50 DFAA CCC[C@@H](N)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 170673691 GDJYNAHOXFNHHL-ZWNOBZJWSA-N 302.340 2.880 0 50 DFAA CC[C@@H](CSC)N(C)C(=O)Cn1ccc2ccccc2c1=O 279775666 GUYYCQSHPZYUTF-AWEZNQCLSA-N 318.442 2.602 0 50 DFAA C[C@@H](NCc1cnnn1C)c1ccc(C(F)(F)F)nc1Cl 585086133 KHTBBKLENYDRRB-SSDOTTSWSA-N 319.718 2.733 0 50 DFAA O=C1CCN(C(=O)c2cc(F)c(F)c(F)c2F)C2(CCC2)C1 585127162 RMXPBELZSBFDBI-UHFFFAOYSA-N 315.266 2.971 0 50 DFAA CN(C)C(=O)C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 191183063 LVRDPXBSWTXVHP-UHFFFAOYSA-N 316.445 2.776 0 50 DFAA Cn1c(NCc2cn(C(C)(C)C)nn2)nc2cc(F)ccc21 191559110 RMXPAUBBYOIXCE-UHFFFAOYSA-N 302.357 2.671 0 50 DFAA Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc3c[nH]nc3c2)c1 192682991 OOIUCQQBHIOFFC-GFCCVEGCSA-N 322.368 2.628 0 50 DFAA Cc1ncccc1CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 649661516 BQFZDQDUKPYACN-LJQANCHMSA-N 321.424 2.596 0 50 DFAA C[C@@]1(CNCc2ccnn2-c2ccncc2)CCO[C@H]1C1CC1 657438335 OZWKRNZSJZQJFX-ROUUACIJSA-N 312.417 2.562 0 50 DFAA CCc1ccc(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1704352295 BNZZLFJYSZTQDV-MOPGFXCFSA-N 324.424 2.560 0 50 DFAA C[C@H](c1cnn(C)c1)c1nc(C2(C(F)(F)F)CCC2)no1 1616038384 RZZUKYYODNLZSZ-MRVPVSSYSA-N 300.284 2.939 0 50 DFAA Cc1ncccc1CNC(=O)c1c(O)nc2ccccc2c1C 1631525904 RLTDUKCAHUTAHJ-UHFFFAOYSA-N 307.353 2.882 0 50 DFAA CN(C)C(=O)CC12CC3CC(C1)CC(CC(=O)N(C)C)(C3)C2 5073670 ZWPBZDBPCMFTSS-UHFFFAOYSA-N 306.450 2.530 0 50 DFAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C)c2)n1 5728034 QUNCMZUYJUMTGD-UHFFFAOYSA-N 317.414 2.762 0 50 DFAA Nc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccccc1 11690535 RGLYRHOLFCRZEV-UHFFFAOYSA-N 313.748 2.755 0 50 DFAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1C(C)C 12382855 ATWQLWMGPVBKSL-UHFFFAOYSA-N 320.414 2.692 0 50 DFAA CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(C)=O)CC1 16578599 XHNVVRSDMQZYBR-UHFFFAOYSA-N 323.824 2.747 0 50 DFAA Cc1cccc(CN2CCN(C(=O)Cc3ccccc3)CC2)c1 19789911 CKJURQPLBQMSJF-UHFFFAOYSA-N 308.425 2.882 0 50 DFAA O=C(O)c1ccc(N2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 19794874 SRNCTSPFTWSLHV-AWEZNQCLSA-N 309.321 2.507 0 50 DFAA Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nn1 412334219 ZRBYDUGUQPISQT-GFCCVEGCSA-N 313.323 2.980 0 50 DFAA C[C@H]1CCCN(C(=O)c2csc(-c3ccoc3)n2)[C@H]1CN 237663014 AAUCEBHPFATCFT-GWCFXTLKSA-N 305.403 2.603 0 50 DFAA Cc1ccc2c(CC(=O)N3CCC[C@H](C(=O)O)C3)coc2c1 237870803 FYFPKMIIXJDSNU-LBPRGKRZSA-N 301.342 2.607 0 50 DFAA NCC1([C@@H]2CCCCN2C(=O)c2ccc3[nH]ccc3n2)CCC1 1650412603 KSBFJHIOYQNRQT-INIZCTEOSA-N 312.417 2.687 0 50 DFAA CC(C)COc1ccccc1C(=O)Nc1ncc(CCO)s1 854482872 PNGROTGDKGNOMQ-UHFFFAOYSA-N 320.414 2.965 0 50 DFAA Nc1nnc(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc12 337943 GSOBPIULDMMNIA-UHFFFAOYSA-N 314.352 2.918 0 50 DFAA in-vitro Cc1nnsc1CNC(=O)c1csc(-c2ccsc2)n1 2325721179 VXSSWUTXEGOMLB-UHFFFAOYSA-N 322.440 2.962 0 50 DFAA O=C(OCCc1nn[nH]n1)[C@@H](c1cccs1)C1CCCCC1 2325779599 QYPAEFTWEAQEKE-CQSZACIVSA-N 320.418 2.711 0 50 DFAA N[C@@H]1CCCN(Cc2ccc(-c3cccc4c3CCC4)nn2)C1 2325796669 CAQSMMFMNDIULQ-OAHLLOKOSA-N 308.429 2.555 0 50 DFAA C[C@@H]1Cc2cc(C(=O)NCc3cccc4[nH]ncc34)ccc2CN1 2325820868 WXOCMFPCSCEMLP-GFCCVEGCSA-N 320.396 2.527 0 50 DFAA CN(C)CCc1ccc(C(=O)Nc2ccc3cccnc3n2)cc1 2325858754 ZJUCCHDXFGXRBP-UHFFFAOYSA-N 320.396 2.986 0 50 DFAA COc1ccc(-c2noc(C[C@H]3OCCc4ccccc43)n2)cn1 115179049 UBRPWGHEDPXJER-OAHLLOKOSA-N 323.352 2.997 0 50 DFAA COc1ccc(CCNC(=O)c2ccccc2F)cc1OC 137967 OTHIXCNUTWCGJJ-UHFFFAOYSA-N 303.333 2.815 0 50 DFAA COc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1OC 610919 QDLMSIZTNBDLKM-UHFFFAOYSA-N 314.341 2.700 0 50 DFAA biogenic Cc1c(Cl)cccc1NC(=O)C(=O)NCc1cccs1 2028744 BGYKRHPGGKJWPF-UHFFFAOYSA-N 308.790 2.965 0 50 DFAA COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(C)cc1 2961280 HLIGNADQIHUFDJ-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA O=C(CSc1ccccc1)Nc1ccc(O)c(C(=O)O)c1 4649255 QDJKQCPTNGZUSM-UHFFFAOYSA-N 303.339 2.821 0 50 DFAA O=C(c1cccc(-n2cnnc2)c1)N1CCCc2ccccc2C1 2356168255 WJKOUMYXLTWCOR-UHFFFAOYSA-N 318.380 2.856 0 50 DFAA O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1F 4839896 WKROZTZHGUIKAK-UHFFFAOYSA-N 324.714 2.873 0 50 DFAA COc1ccccc1-c1noc(CNC(=O)C2CCCCC2)n1 6660904 GTIMITXBBNEMFQ-UHFFFAOYSA-N 315.373 2.942 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)n1nc(C)cc1C 6746089 UXUDNRFIRJWTHD-UHFFFAOYSA-N 308.403 2.752 0 50 DFAA Cc1nc(C)c(COC(=O)Cc2ccc([S@@](C)=O)cc2)s1 225492998 ZFOUJSYHDCRYOF-OAQYLSRUSA-N 323.439 2.783 0 50 DFAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(Cc2ccon2)C1 343732374 BLYVGIVBSANHCL-JTQLQIEISA-N 314.311 2.807 0 50 DFAA O=C(NC[C@H]1CC[C@H](O)C1)N[C@H]1C[C@H](c2cccc(F)c2)C1 281600512 RKGDNBUTCIFCOW-MZGVZZPPSA-N 306.381 2.532 0 50 DFAA C[C@H](NC(=O)c1cccs1)C(=O)Nc1c(F)cccc1F 20284285 SJKABNOONUPEQM-QMMMGPOBSA-N 310.325 2.783 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](c2ccccc2F)[C@@H](C(=O)O)C1 54965230 LNANJBYDRSFKDR-NEPJUHHUSA-N 309.337 2.861 0 50 DFAA COC[C@H]1CCCN(C(=O)c2ccc(N(C)CC(C)C)nc2)C1 20204287 IIKXPSISFQDKHR-HNNXBMFYSA-N 319.449 2.672 0 50 DFAA Cc1nc(NCc2cccc(-c3nnn[nH]3)c2)cc(C(C)C)n1 65508042 MZCMWZFJJAYFTJ-UHFFFAOYSA-N 309.377 2.701 0 50 DFAA COc1ccc(CN2CC[C@@H](CCO)C2)c(Br)c1 347865263 ZMPCVPKKFLAGRW-NSHDSACASA-N 314.223 2.662 0 50 DFAA C[C@@H](Sc1ncnc2[nH]cnc12)C(=O)c1cc(F)ccc1F 118179219 JDDMSJJRJGUSBW-SSDOTTSWSA-N 320.324 2.995 0 50 DFAA O=C(C1CCC(F)(F)CC1)N1CCC2(CCNCC2)CC1 252487445 HWGWZPNWLKQFPW-UHFFFAOYSA-N 300.393 2.804 0 50 DFAA Cn1cc(-c2nc(CN3CCO[C@H]4CCCC[C@H]43)cs2)cn1 230257733 VQGNJTNSZIJXOC-CABCVRRESA-N 318.446 2.687 0 50 DFAA Cc1ccc([C@H]2CN(C(=O)N(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72459132 BJXNVNGBOVEOHL-KZNAEPCWSA-N 313.445 2.539 0 50 DFAA Cc1nnc(CN(C)Cc2ccc(OC(F)(F)F)cc2)o1 74235825 ULRJACRZQOMTQW-UHFFFAOYSA-N 301.268 2.909 0 50 DFAA COc1cccc(-n2cc(CNC(=O)c3ccc(C)cc3)nn2)c1 363175449 UIYNNKXLTRMIFX-UHFFFAOYSA-N 322.368 2.514 0 50 DFAA CC(C)c1n[nH]c(CN2CC3(CCOCC3)c3ccccc32)n1 330244379 KEZWSZZKOPLJIG-UHFFFAOYSA-N 312.417 2.997 0 50 DFAA CC1(c2ccccc2)CCN(C(=O)N[C@H]2CC[C@H](CN)C2)CC1 332133441 KMZDEHDPNZLSOT-RDJZCZTQSA-N 315.461 2.877 0 50 DFAA CC(=O)N1CCCCC[C@H]1C1CCN(CCC(C)(C)O)CC1 370167168 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CN(C)Cc1ccc([C@H]2CCCN2C2CCN(C)CC2)cc1 1506412495 DOIDFWJBHMDJEL-LJQANCHMSA-N 301.478 2.979 0 50 DFAA COCCN1CC[C@H](CNc2ccc(-c3ccccc3)nn2)C1 1506408221 VXUKTWBPPUGIEB-OAHLLOKOSA-N 312.417 2.524 0 50 DFAA CC[C@@H]1CN(C(=O)c2cc(Cl)cc(OC)c2)CC[C@]1(C)O 211546704 AMMQNKJLDOXMMF-WBMJQRKESA-N 311.809 2.972 0 50 DFAA CN(CCC[C@H]1CCCO1)c1ncccc1C(=O)N1CCCC1 1704277923 XGLCFZZHQQDFLS-HNNXBMFYSA-N 317.433 2.713 0 50 DFAA CC[C@@H](C)Oc1ccccc1OCCN1C(=O)NC(C)(C)C1=O 5065383 LFHDZSLDJYEGOI-GFCCVEGCSA-N 320.389 2.573 0 50 DFAA COc1ccc(CNc2ncccc2C)c(C(=O)O)c1OC 5198062 JVJFJRDUOGNXKI-UHFFFAOYSA-N 302.330 2.718 0 50 DFAA Cc1ccc(-n2nnc(C(=O)NCc3cccnc3)c2C)c(C)c1 12274797 UFPFLORPUIGPQL-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2F)CC1 14142050 RFQKWAKIXLZEEV-UHFFFAOYSA-N 323.368 2.910 0 50 DFAA C/C=C(\C)C(=O)N1CCC(=O)N(Cc2ccccc2C)CC1 14961614 KTEQSOSLZJRNOA-LNKIKWGQSA-N 300.402 2.522 0 50 DFAA C[C@@]1(CCC(=O)N[C@H]2CCCc3ccccc32)CCC(=O)N1 14989560 QYHFXIHHKJMBRQ-MAUKXSAKSA-N 300.402 2.629 0 50 DFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN(C)C 16605077 CJBPUKSLHZEBHV-UHFFFAOYSA-N 307.781 2.595 0 50 DFAA O[C@H](COC1CCCCC1)CN1CCN(c2ccccc2)CC1 19973633 OJTKYAINSUZXFS-SFHVURJKSA-N 318.461 2.519 0 50 DFAA Clc1ccc2c(=NCC3CC4(CCOC4)C3)[nH]cnc2c1 1857530886 NOIWKOCIQWBHHO-UHFFFAOYSA-N 303.793 2.934 0 50 DFAA CNC(=O)CC(=O)N1CCCCC[C@@H]1C=Cc1ccccc1 1857532532 RMGCRKHTCAHJES-MRXNPFEDSA-N 300.402 2.607 0 50 DFAA CN(Cc1ccc(OCC(=O)O)cc1)C(=O)C1CCC=CCC1 634803647 FMIBKKZITVXBNW-UHFFFAOYSA-N 317.385 2.855 0 50 DFAA Clc1ccc(CN2CC[C@@H](n3ccnn3)C2)c2ncccc12 639710216 UMONYVZYZHQJHH-CYBMUJFWSA-N 313.792 2.927 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@]3(C)CCO[C@H]3C)cc2)n1 331675303 QWPOFSVFWRHXIW-KBXCAEBGSA-N 313.401 2.786 0 50 DFAA Cc1ccc(SC[C@H](C)NC(=O)NC[C@H]2CC[C@@H](O)C2)cc1 248973995 SWKXMPSZBBRTQG-SOUVJXGZSA-N 322.474 2.936 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 249689789 JUWFYPVOUNGNPN-LSDHHAIUSA-N 316.401 2.504 0 50 DFAA Cc1cc(NC(=O)[C@@H]2COCCN2C2CCCC2)cc(C)c1O 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DFAA O=C1[C@H]2C[C@@H]2C(=O)N1CCOc1ccc(Oc2ccccc2)cc1 134809518 CVVAAFGDNULFEI-IRXDYDNUSA-N 323.348 2.863 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(F)cc2)CC1 20806896 UONFLWRPLUTSRT-UHFFFAOYSA-N 316.351 2.923 0 50 DFAA CCN(CC)c1ccc(NC(=O)[C@H](C)C2CCOCC2)cn1 119963080 JNLPJTZIDSDPBG-CYBMUJFWSA-N 305.422 2.929 0 50 DFAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1cccc(F)c1 252667386 CXXRXKGJYGVQCJ-DUBDDPSESA-N 306.337 2.535 0 50 DFAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cc2ccccc2[nH]1 328630825 QGDDWHJTEGJGES-CYBMUJFWSA-N 308.385 2.699 0 50 DFAA Cc1ccc(-c2nccc(N3CCC[C@@H](O)C3)n2)c2cccnc12 215899038 PNRXVTVIMWPCAP-CQSZACIVSA-N 320.396 2.961 0 50 DFAA O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1cccc(N2CCOCC2)c1 77504329 CULFKCAVJNIIMQ-WBAXXEDZSA-N 314.429 2.832 0 50 DFAA Cc1ccc(OC[C@@H](O)CN[C@@H](C)CC(F)(F)F)c(C)c1 32518048 XKTIWABYXSGJJR-STQMWFEESA-N 305.340 2.974 0 50 DFAA CC[C@@](C)(NC(=O)c1cc(Cl)c2ccccc2n1)C(=O)OC 253430617 XDKQMVHDPXHUKE-MRXNPFEDSA-N 320.776 2.960 0 50 DFAA 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C[C@H](NC(=O)CCS(=O)(=O)c1ccccc1)C1=CCCCC1 827989639 HQHHFMYWECODDC-AWEZNQCLSA-N 321.442 2.856 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)[C@H](C)CCc2ccccc2F)C1 269261216 JKXUFOHZLAIGPH-YCPHGPKFSA-N 306.425 2.980 0 50 DFAA CCn1nccc1[C@@H](C)Nc1ccc(C)c(N2CCNC2=O)c1 1875285213 GXSMVNNAGUTVAZ-CYBMUJFWSA-N 313.405 2.914 0 50 DFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3c(C)cncc3C)C2)o1 1775960629 WTVSIZJQDVKLMR-KGLIPLIRSA-N 314.389 2.531 0 50 DFAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)CCc1nc2ccccc2o1 1355364067 NIQQGDPWPPSUQW-DNVCBOLYSA-N 321.380 2.501 0 50 DFAA Cn1c2ccccc2c2cc(C(=O)N3C[C@H]4CCN[C@H]4C3)ccc21 1565526509 KTYPMGQCAIOGBA-PBHICJAKSA-N 319.408 2.765 0 50 DFAA Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)cn(C)c1=O 676073997 IXEOMUGWMIQUJV-UHFFFAOYSA-N 314.360 2.893 0 50 DFAA CCOC[C@@H]1CCN(C(=O)Cc2cnccc2C(F)(F)F)C1 408518130 VKXOENJIXMXMML-LLVKDONJSA-N 316.323 2.528 0 50 DFAA OCC1(CNc2nc3ccccc3n3cccc23)CCOCC1 408522734 CRQSMFZFECFTMI-UHFFFAOYSA-N 311.385 2.689 0 50 DFAA Cc1c(NCc2cnc(N(C)C)nc2)cnn1C1CCCC1 277816067 ZONUEKSJSDFLEE-UHFFFAOYSA-N 300.410 2.775 0 50 DFAA c1cnc(OC2CCCC2)c(-c2noc(Cn3ccnc3)n2)c1 278201582 VPOWHLQGNNCIQG-UHFFFAOYSA-N 311.345 2.698 0 50 DFAA Cc1ccc(-n2cc(NC(=O)NC[C@H]3CCCO3)cn2)c(C)c1 189669069 YREMIVMUQHOKDP-OAHLLOKOSA-N 314.389 2.790 0 50 DFAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)NCC(F)F 190628849 CPHUNFVWIHBDPL-UHFFFAOYSA-N 311.332 2.521 0 50 DFAA CCn1nccc1-c1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 656455948 QAGGZECGJPVLIY-INIZCTEOSA-N 322.416 2.609 0 50 DFAA c1cc(-n2nccc2CN2CCOC[C@@H](C3CCC3)C2)ccn1 668188856 QZVXYHUXWUOBRG-INIZCTEOSA-N 312.417 2.516 0 50 DFAA O=C(O)[C@H]1CN(CCC(F)(F)F)C[C@@H]1c1cccc(F)c1 216953829 LNXUDMOYTWKCCR-NEPJUHHUSA-N 305.271 2.878 0 50 DFAA CC[C@@]1(C)CCCN(C(=O)c2c(C)nc3ccc(OC)nn23)C1 1615044196 IYRMBJDLJIYQGD-KRWDZBQOSA-N 316.405 2.699 0 50 DFAA CCN(CC)CCCNc1nnc(CSc2ccncc2)o1 1772707366 YRAXLSNBZJQFAF-UHFFFAOYSA-N 321.450 2.901 0 50 DFAA O=S(=O)(c1ncsc1-c1ccccc1)N1CCCCC1 1775975946 MKMGRBRFDWDUAY-UHFFFAOYSA-N 308.428 2.985 0 50 DFAA CSCCNC(=O)c1cc(COc2c(C)cccc2C)on1 12385263 PAUSQQLEZVIGSJ-UHFFFAOYSA-N 320.414 2.963 0 50 DFAA CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCOCC1 19897568 JKDAXFRPGZZKLL-UHFFFAOYSA-N 320.776 2.902 0 50 DFAA Cc1ccc(-c2nccn2C2CCS(=O)(=O)CC2)cc1C 1857731303 PBLMHKNLHLUNHJ-UHFFFAOYSA-N 304.415 2.917 0 50 DFAA Cc1cn(CCn2ccnc2-c2ccc3c(ccn3C)c2)nn1 1857733738 WTAHUVHLCKIITQ-UHFFFAOYSA-N 306.373 2.642 0 50 DFAA O=C(COc1ccc(Cl)cc1)N1CCC([C@@H]2CCOC2)CC1 363768345 RBKWPGZKYSMWGW-CQSZACIVSA-N 323.820 2.994 0 50 DFAA Cc1ccc(Cl)cc1N(C)C(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 209111291 LGZWLFLQCTYAHK-RJYVHDGYSA-N 319.788 2.809 0 50 DFAA CN1CCCC(C)(C)[C@H]1CNC(=O)c1ncnc2ccsc12 614211206 ZTNJBNNAZBFDCL-GFCCVEGCSA-N 318.446 2.542 0 50 DFAA CCN1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@H](C)C1 262676381 SAQLQJUSLYCNRT-XYVMCAHJSA-N 317.477 2.511 0 50 DFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC[C@H](n2ccnn2)C1 823241419 YSMNVAUMXVPALR-NSHDSACASA-N 324.306 2.832 0 50 DFAA O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 4183524 IBIVFQFIQRCLLX-SECBINFHSA-N 311.300 2.789 0 50 DFAA c1ccc2c(Sc3nnnn3C[C@@H]3CCCO3)ccnc2c1 2325775291 SPPCAWFMXVNZER-NSHDSACASA-N 313.386 2.552 0 50 DFAA CC[C@H]1COC(C)(C)CN1C(=O)NC1CCC(C)(OC)CC1 2325786590 CNAOFSHEGZAPNJ-UUCFBXCCSA-N 312.454 2.933 0 50 DFAA COc1ccnc([C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)c1 2325802860 BLHLGDRBRUJGBZ-VXGBXAGGSA-N 310.344 2.842 0 50 DFAA N[C@H](CCNC(=O)N[C@@H]1C[C@H]1C1CCCC1)Cc1ccccc1 2325866373 IXMADDITAVPEHK-FGTMMUONSA-N 315.461 2.824 0 50 DFAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1C 77199 ACRUJCZHRBOLOV-UHFFFAOYSA-N 308.403 2.869 0 50 DFAA O=C(O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 331458 HTGYRHUXRYMVAM-MUWHJKNJSA-N 301.224 2.835 0 50 DFAA COC(=O)c1ccc(COc2ccc(CO)cc2OC)cc1 487708 PUAHVZMFDIFINF-UHFFFAOYSA-N 302.326 2.553 0 50 DFAA biogenic COc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1 4295527 BYOJTBSQSQIHQC-UHFFFAOYSA-N 324.340 2.712 0 50 DFAA c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 6742801 AJRZBLXWDTYESR-UHFFFAOYSA-N 311.414 2.544 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)Nc1c(F)cccc1F 10301962 DIPWMELRKWUNTN-UHFFFAOYSA-N 317.288 2.913 0 50 DFAA O=C(CCc1cccc(C(F)(F)F)c1)N1CCC[C@H]1CO 344078817 CFQAEKMULCAXHB-ZDUSSCGKSA-N 301.308 2.621 0 50 DFAA CSc1ncc(Cl)c(C(=O)Nc2nc(C)cs2)n1 9304002 DQARVFOCHCXFLH-UHFFFAOYSA-N 300.796 2.869 0 50 DFAA CCN(Cc1nccs1)[C@@H]1CCN(c2ccccc2)C1=O 135085892 CIEXERJKSNGVGS-CQSZACIVSA-N 301.415 2.771 0 50 DFAA CCc1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)ncn1 67490667 SARXJGQLVWZHNC-UHFFFAOYSA-N 323.375 2.943 0 50 DFAA COC(=O)c1cn(Cc2nc(-c3ccccc3C)oc2C)cn1 67881015 YGNIIEMAGHNKNP-UHFFFAOYSA-N 311.341 2.990 0 50 DFAA Cc1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)o1 20149373 XTXQAZVVMQPQRJ-MDZDMXLPSA-N 310.397 2.946 0 50 DFAA COc1ccc(CN(C)C[C@H](O)c2ccccc2)cc1OC 23280170 XYRNWNDDSBLCHE-INIZCTEOSA-N 301.386 2.869 0 50 DFAA Fc1ccccc1CN1CCC[C@@H](NCCCn2cccn2)C1 20450387 VMFKXCABEUUQKM-QGZVFWFLSA-N 316.424 2.667 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2[nH]c(C)cc2C)c1 331662124 TXAZWQNSISQIBM-GOEBONIOSA-N 314.385 2.588 0 50 DFAA CC(C)n1cc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)cn1 281658809 CEKXWBSSCCNWMR-IAGOWNOFSA-N 303.381 2.911 0 50 DFAA Cc1nc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)cs1 121755318 VUPJPXMDSNJUGR-KGLIPLIRSA-N 324.471 2.838 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 187790 NMSSNEBLDWGZIO-WBVHZDCISA-N 318.332 2.722 0 50 DFAA biogenic Cc1cc(C)n(C[C@@H](C)NCC(=O)Nc2ccc(F)cc2C)n1 67696619 UESWLGMCFIXSNA-CYBMUJFWSA-N 318.396 2.564 0 50 DFAA Cc1nn(C)c(C)c1NC(=S)N1CCc2ccccc2C1 6232677 WBEGOXBJTGKRQD-UHFFFAOYSA-N 300.431 2.792 0 50 DFAA O=C1CCCN1Cc1ccc(C(=O)N2CCCCCC2)cc1 33359552 NLPCGJRGBXDQKW-UHFFFAOYSA-N 300.402 2.825 0 50 DFAA Cc1nc2ccc(NC(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc2o1 155029698 DQNNQBOOXVNPGN-VIFPVBQESA-N 319.361 2.988 0 50 DFAA COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)cc1 71283272 GYSVAUNHAUEOQQ-GFCCVEGCSA-N 301.346 2.890 0 50 DFAA COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)CO)c1 363754043 ANMLWIGFPRDZND-MJGOQNOKSA-N 311.381 2.745 0 50 DFAA c1cnc(-n2cncn2)c(CNc2nccc(C3CCCC3)n2)c1 71751857 ROYZAGKLVYDZPN-UHFFFAOYSA-N 321.388 2.722 0 50 DFAA CCc1ccc(-n2cnnc2)cc1-n1ccnc1[C@@H]1CCOC1 77470973 NMGMOBTWFJKRDC-CQSZACIVSA-N 309.373 2.519 0 50 DFAA C[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@]2(CCO[C@H](C)C2)O1 451387603 DYNDTFWUDSIIHY-BFQNTYOBSA-N 324.808 2.534 0 50 DFAA O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccnnc1 372837228 IKZQZIXRPVPDGL-UHFFFAOYSA-N 317.255 2.717 0 50 DFAA Cc1nc(CNC(=O)N2CCC[C@H]2c2ccccc2C)no1 173549365 JQKAYTLLUUYBJE-AWEZNQCLSA-N 300.362 2.733 0 50 DFAA Cc1cnc(CNC(=O)[C@@]2(c3ccccc3F)CC2(C)C)cn1 215373854 UTNLIHJCQAIENY-SFHVURJKSA-N 313.376 2.908 0 50 DFAA Cc1cc(NC(=O)N2CC[C@H](C(=O)O)C2)ccc1C(F)(F)F 263099350 UKHZIZVBLTYQDO-VIFPVBQESA-N 316.279 2.952 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N[C@H]2CCCOC2)cc1 245305033 HRWDHORXOMUAKJ-BBWFWOEESA-N 303.402 2.758 0 50 DFAA COc1ccc(CCNC[C@H](O)COc2cccc(C)c2)cc1 71767432 JRDAGLGYTQXDRW-KRWDZBQOSA-N 315.413 2.576 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nncn1C1CC1 285893836 ROSHPAAPTUNPLF-UHFFFAOYSA-N 309.329 2.829 0 50 DFAA CCN(Cc1cc(OC)ccc1-n1cccn1)C[C@H]1CCCO1 220370146 WCDLSRXYFHLCLZ-QGZVFWFLSA-N 315.417 2.882 0 50 DFAA CCCC[C@H](CC)CN1CCC(Cn2cc(CCO)nn2)CC1 48246296 MQCOJVWHDRRJMT-INIZCTEOSA-N 322.497 2.741 0 50 DFAA OCCNc1ncnc2ccc(-c3cc(F)cc(F)c3)cc12 96163513 GNBWGFSARMKRDS-UHFFFAOYSA-N 301.296 2.979 0 50 DFAA COc1ccc(OCC2CCN(Cc3ncc[nH]3)CC2)cc1 97301357 FXANKROUBNQJRZ-UHFFFAOYSA-N 301.390 2.709 0 50 DFAA c1coc(CN2CCC(c3nc([C@H]4CCOC4)no3)CC2)c1 96166699 YITBEKAIJKBRSM-ZDUSSCGKSA-N 303.362 2.546 0 50 DFAA Cc1ccnc(NCC2(N3CCOCC3)CCCCCC2)n1 95380535 BNZDQDSRYMRDQZ-UHFFFAOYSA-N 304.438 2.622 0 50 DFAA CCc1nnc(N[C@@H]2CCN(C)C[C@@H]2Cc2ccccc2)o1 92021461 UWYVUKVYEUXYQK-LSDHHAIUSA-N 300.406 2.607 0 50 DFAA COc1cccc(-c2cc(-c3nc([C@@H]4CCOC4)no3)[nH]n2)c1 96149993 WSUZUZPJMFSOOG-LLVKDONJSA-N 312.329 2.639 0 50 DFAA O=C(O)Cn1nc(-c2ccco2)nc1[C@H]1CCc2ccccc21 97217682 ADKNPZVNNNWNBE-ZDUSSCGKSA-N 309.325 2.701 0 50 DFAA CN1CCC(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 97742937 SMFAIDJWAOYQCZ-AWEZNQCLSA-N 315.339 2.533 0 50 DFAA CC(C)Oc1cccc(CCNC(=O)C2(C)CCNCC2)c1 96141807 XBSMSDLHUUHRJW-UHFFFAOYSA-N 304.434 2.522 0 50 DFAA Cc1cnccc1NC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 181936947 STBRTMPKMBWYCG-ZDUSSCGKSA-N 305.378 2.728 0 50 DFAA COc1ccc(CN(C)C(=O)NCC2(OC)CCCC2)cc1 296502804 BTQOJNMSHOCHPK-UHFFFAOYSA-N 306.406 2.796 0 50 DFAA CC(=O)c1cc(CC(=O)NCCCOC2CCCC2)cs1 534591719 CQTUOOSAERLFQO-UHFFFAOYSA-N 309.431 2.959 0 50 DFAA CCN1CCC[C@H](NC(=O)c2ccccc2N2CCCC2)C1 534589035 UZQUSIWUTFCXPK-HNNXBMFYSA-N 301.434 2.501 0 50 DFAA CC(C)CC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1 821011617 BRTGMCFSSACVNH-KRWDZBQOSA-N 323.525 2.735 0 50 DFAA CCc1ccc(S(=O)(=O)NCc2cnc(C)c(C)c2)s1 823528989 OKNBIBZJWAXGJZ-UHFFFAOYSA-N 310.444 2.801 0 50 DFAA COc1ccc([C@H](NC(=O)CC(=O)O)c2ccc(F)cc2)cc1 1875261799 UUXLVPHVASWTFT-QGZVFWFLSA-N 317.316 2.515 0 50 DFAA Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 1875271570 ZWHFAWYYXQMJLI-HIFRSBDPSA-N 315.392 2.961 0 50 DFAA COCc1nc(C2([C@@H]3CCCO3)CC2)n(-c2ccc(F)cc2)n1 1875348260 KSJYWWZCQPASPS-AWEZNQCLSA-N 317.364 2.763 0 50 DFAA C=CC(=O)N1CCC(C(=O)NCC2CCC(CC)CC2)CC1 1875369508 SKQIOMNIWRKJRA-UHFFFAOYSA-N 306.450 2.744 0 50 DFAA COc1ccnc(N2CCC[C@H](c3nc4c(s3)CCC4)C2)n1 895674047 LEBXZRMNOHTYLW-NSHDSACASA-N 316.430 2.814 0 50 DFAA Cc1cnc(O)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2C)c1 1478929560 GMVWXPLOEZSQAT-JKSUJKDBSA-N 311.385 2.759 0 50 DFAA CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@@H](F)C2)cn1 408228664 YUGJMBAAMSAFGZ-LLVKDONJSA-N 300.399 2.592 0 50 DFAA Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3C=CCC3)C2=O)cc1 170611784 GSSQFBOGVIRBLL-DOTOQJQBSA-N 312.413 2.568 0 50 DFAA CCN1CCN([C@@H]2CCN(Cc3ccc(SC)cc3)C2)CC1 171530018 GCCLHZGPQVRAAP-QGZVFWFLSA-N 319.518 2.620 0 50 DFAA Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)sc2cccc(F)c12 188940101 OETJXZUFKMSXAO-JTQLQIEISA-N 320.389 2.699 0 50 DFAA Cc1nc(CC2CC2)sc1C(=O)N1CCOc2ccncc21 188956599 DWCYDLNNABESEK-UHFFFAOYSA-N 315.398 2.838 0 50 DFAA CO[C@@H](CNCc1nncn1-c1ccccc1)Cc1ccccc1 585116767 HSXRYQCBLOIROJ-GOSISDBHSA-N 322.412 2.615 0 50 DFAA O=C(NCCNc1ccccc1)c1cc(O)nc2ccccc12 735826247 FTMBCXQGAOJUAX-UHFFFAOYSA-N 307.353 2.782 0 50 DFAA CCN1C(=O)CCc2cc(Nc3ncnc4onc(C)c34)ccc21 192530242 ZVZKZVQIUNLKEU-UHFFFAOYSA-N 323.356 2.969 0 50 DFAA C[C@]1(CNCc2ccnn2-c2ccncc2)CCO[C@@H]1C1CC1 657438334 OZWKRNZSJZQJFX-QZTJIDSGSA-N 312.417 2.562 0 50 DFAA Cc1cc(C)n(-c2cccc(C(=O)Nc3cn(C)nc3C)c2)n1 1529197949 ZRVXKTMHQILTON-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA CC(C)CCN[C@@H]1CCO[C@@]12CCN(C(=O)OC(C)(C)C)C2 1616036598 YXUDQUIQBFYENF-RHSMWYFYSA-N 312.454 2.791 0 50 DFAA CNCc1nnc(NCCc2ccccc2OCCC(C)C)o1 1772708617 DCODQXFTEKWLOL-UHFFFAOYSA-N 318.421 2.869 0 50 DFAA Nc1ccc(N2CCOCC2)c([C@H](O)c2ccc(Cl)cc2)c1 16650302 JBUJBWSQCBZQCE-QGZVFWFLSA-N 318.804 2.841 0 50 DFAA C[C@@H](NC(=O)N[C@@H]1CSc2ccccc21)c1cnn(C)c1 408513028 LLGJHSSVJPOTHY-ZWNOBZJWSA-N 302.403 2.627 0 50 DFAA CCn1c(O)nc2cc(C(=O)N(C)Cc3occc3C)ccc21 615195559 KUNUATRWOCTJAR-UHFFFAOYSA-N 313.357 2.935 0 50 DFAA CC(C)C[C@H]1COCCN1C(=O)CCCc1nc(C2CC2)no1 122752406 JOCUAXVXZRLUQP-AWEZNQCLSA-N 321.421 2.543 0 50 DFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N(C)C3CCCC3)C2)n1 253395025 HCWINKNGVARRRI-OAHLLOKOSA-N 319.453 2.601 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)CCCN1CCC1(O)CCC1 396925089 UHHDOXONMFQVTP-QGZVFWFLSA-N 302.462 2.888 0 50 DFAA COc1cccc([C@H]2CN(CCC(C)(C)C(=O)O)CCO2)c1 859786437 KHKDSCSRAFEHCI-OAHLLOKOSA-N 307.390 2.569 0 50 DFAA C[C@@]1(C(=O)Nc2ccc3nc(-c4ccccc4)cn3c2)CCNC1 2325769193 TZOZBSFSYWLXDZ-LJQANCHMSA-N 320.396 2.939 0 50 DFAA CCc1ccc2c(c1)[C@](O)(CC(=O)c1cccs1)C(=O)N2 235904 YCQASDRTRIYQOE-MRXNPFEDSA-N 301.367 2.723 0 50 DFAA Cc1cccc(C)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 318812 GYUXCUIFCZNCRA-CYBMUJFWSA-N 322.364 2.927 0 50 DFAA CSc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 1439947 HSPDTGFYKLIAEF-KRWDZBQOSA-N 313.378 2.821 0 50 DFAA CC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1 2884751 VCUDGAYSKNHUEP-UHFFFAOYSA-N 308.341 2.801 0 50 DFAA O=S(=O)(NCc1cccnc1)c1ccc2cccc3c2c1CC3 4624108 WBHUISCBUUCYAA-UHFFFAOYSA-N 324.405 2.812 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 6152061 FYGMUKGYHICKNQ-INIZCTEOSA-N 308.381 2.982 0 50 DFAA Brc1nc(Br)n([C@H]2CCCCO2)n1 6158134 OUOQLEMKKVUYLC-RXMQYKEDSA-N 310.977 2.502 0 50 DFAA CSc1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 6702883 HYHITVNJWDSXGQ-UHFFFAOYSA-N 323.395 2.908 0 50 DFAA CCn1c(SCC(=O)NC2CC2)nnc1-c1csc(C)c1 6729113 JEKNYLJYZCNDJD-UHFFFAOYSA-N 322.459 2.706 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)N2[C@@H](C)CCC[C@H]2C)C1 6738324 QHSYJSINHKIVML-AHIWAGSCSA-N 316.401 2.978 0 50 DFAA CCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2N(C)C)cc1OCC 225555315 KNWJMVBCRGQIQP-GJZGRUSLSA-N 320.433 2.697 0 50 DFAA C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1F 20399244 IZNMIRAIROIMBK-SNVBAGLBSA-N 304.296 2.722 0 50 DFAA CC1(NC(=O)Nc2ccc(N3CCOCC3)nc2)CCCCC1 116485096 VUBNUVHNBYFBEV-UHFFFAOYSA-N 318.421 2.763 0 50 DFAA O=C(CC1CCCCCC1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 347150823 FSWJUSXILLHJQF-BRWVUGGUSA-N 309.450 2.735 0 50 DFAA Cc1ccccc1[C@H](C(=O)NCc1c(C)noc1C)N(C)C 65529676 IMLHWFWUNYIRRX-MRXNPFEDSA-N 301.390 2.519 0 50 DFAA CCCc1nnc(S)n1CC(=O)N[C@H]1CCCCC1(C)C 137273225 DWHZZTRKWHWKEW-NSHDSACASA-N 310.467 2.604 0 50 DFAA COC(=O)COc1ccc2occ(C(=O)c3ccccn3)c2c1 170622134 WJVNFUHQEYEANW-UHFFFAOYSA-N 311.293 2.611 0 50 DFAA COc1ccc(NC(=O)CCN2CCO[C@H]3CCCC[C@H]32)cc1 230133463 IAYPGHUYHKZSQG-SJORKVTESA-N 318.417 2.667 0 50 DFAA COc1cccnc1N(C)C(=O)Cc1cc(F)c(F)cc1F 121224720 KCZPJRUPTIPOSA-UHFFFAOYSA-N 310.275 2.713 0 50 DFAA Nc1nc(NCC2(c3ccccc3)CCCC2)c2cn[nH]c2n1 32551029 DSRKKIGPAUJJTM-UHFFFAOYSA-N 308.389 2.859 0 50 DFAA COCCc1noc(-c2ccc(-c3cccc4c3OCC4)nc2)n1 72122510 ZQONYHITXDDIBX-UHFFFAOYSA-N 323.352 2.922 0 50 DFAA O=C(CC1CCCCCC1)N1CCCC[C@H]1c1nc(O)n[nH]1 329208651 YTGFMZJEIXSPEF-ZDUSSCGKSA-N 306.410 2.924 0 50 DFAA CCc1ncc(S(=O)(=O)N2CC(C)(C)[C@H]2C2CC2)s1 329506751 IYGFIGRXPDKWLM-GFCCVEGCSA-N 300.449 2.515 0 50 DFAA O=C(CCn1cnc2ccccc21)NCCCOC1CCCC1 129339070 JLJKBAXWANSSFB-UHFFFAOYSA-N 315.417 2.892 0 50 DFAA O=C(Cc1noc2ccc(F)cc12)N[C@@H]1CCOC2(CCC2)C1 333165750 MSGCZDVPOUVYTG-GFCCVEGCSA-N 318.348 2.727 0 50 DFAA Cc1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 13324766 LOQARZOFDGXGBA-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA C[C@H](O)c1ccn(Cc2nnc(-c3ccc(Cl)cc3)o2)n1 128752223 TWOJRVGFPDYABO-VIFPVBQESA-N 304.737 2.688 0 50 DFAA CN1Cc2ccccc2[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 377039783 LCDGLQRITSATBN-INIZCTEOSA-N 322.368 2.586 0 50 DFAA O=C(c1ccc(O)cn1)N1CCC[C@H](Nc2cccc(F)c2)C1 72153909 LPAIROFYPNEXBG-AWEZNQCLSA-N 315.348 2.643 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N1CCC([C@H]2CCCOC2)CC1 378570899 LTSDNDZIJQPFAF-INIZCTEOSA-N 319.449 2.624 0 50 DFAA Cc1ccc(C)c(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1 379274766 NZNCEWDWNNQYEJ-DGCLKSJQSA-N 300.324 2.798 0 50 DFAA O=C([C@@H]1CCc2ccccc2C1)N1CCC(Cn2ccnc2)CC1 219794043 NOMKNILUGLQGAB-LJQANCHMSA-N 323.440 2.927 0 50 DFAA CCn1ccc2c(CN3CCO[C@H](CCOC)C3)cccc21 215476692 GSZRZUHVYQUOKR-MRXNPFEDSA-N 302.418 2.899 0 50 DFAA COc1cc(CNC(C)(C)c2nc(C)no2)c2c(c1)C[C@H](C)O2 341261530 UTLYAYMZMRUCRK-JTQLQIEISA-N 317.389 2.735 0 50 DFAA CCn1cc(C(=O)N2CCC[C@]2(C)C(=O)O)c2ccccc21 263382184 BNTFOIDNMIOVTA-QGZVFWFLSA-N 300.358 2.741 0 50 DFAA CCNC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C 14976648 AZUAUTXGMUHZBT-AWEZNQCLSA-N 319.453 2.936 0 50 DFAA CCOc1ccc(C(=O)N[C@@H](CC)c2cn3cccnc3n2)o1 221421879 MEWZSXJTUYHDPU-NSHDSACASA-N 314.345 2.602 0 50 DFAA Cc1cc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c2cccc(C)c2n1 82120668 IAIIOTMGQCLETK-NSHDSACASA-N 309.373 2.769 0 50 DFAA O=C1CCC[C@H](Cc2nc(Cc3ccc(F)cc3Cl)no2)N1 290165117 QWOGIPCYHJPZNS-LLVKDONJSA-N 323.755 2.664 0 50 DFAA Brc1cccc(C2(CNC3=NCCN3)CCCC2)c1 178779182 ROONLEFYIDHINI-UHFFFAOYSA-N 322.250 2.810 0 50 DFAA Cc1nn(C)c2nc(NCCC(=O)NC3CCCCC3)sc12 96152810 NNZQFOPOEZWTDW-UHFFFAOYSA-N 321.450 2.589 0 50 DFAA O=[n+]1c(-c2cccc(Br)c2)cn(O)c2c1CCCC2 334157385 DYRJMYUBCFRRTP-UHFFFAOYSA-N 322.182 2.948 0 50 DFAA Cc1nn(C)c2nc(N(C)Cc3nc(CC(C)C)no3)sc12 95516350 CIJBDQPTCKKCIK-UHFFFAOYSA-N 320.422 2.556 0 50 DFAA CCc1cc(C(=O)NCCCn2ccc3ccccc32)cc(=O)[nH]1 97679872 GIMUTTJECKFHBF-UHFFFAOYSA-N 323.396 2.712 0 50 DFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cccnc2OCC)C1 91440629 VHGJSAHBJUKYPA-QGZVFWFLSA-N 320.389 2.587 0 50 DFAA COc1cccc(-c2ccc(CN3CCN(C)CC3)cn2)c1F 97578659 DBTDMHSHXARRPK-UHFFFAOYSA-N 315.392 2.644 0 50 DFAA CSC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 97515029 ZJTZFAINSIIVLS-GFCCVEGCSA-N 316.426 2.743 0 50 DFAA Cc1ccccc1N1CC[C@H](CNC(=O)Cc2ccccn2)C1 244673603 HSFOQQAGDNDLIH-MRXNPFEDSA-N 309.413 2.575 0 50 DFAA Cc1nc(C(=O)Nc2cccnc2)nn1-c1cccc(Cl)c1 252492447 MMPSLPGMABNDPY-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA O=C(c1cc[nH]c1)N1CCC2(CC1)OCCc1ccsc12 352733678 YBIVZWGCSCNUOR-UHFFFAOYSA-N 302.399 2.780 0 50 DFAA Cc1ccccc1CN(CC(C)C)C(=O)N[C@H](C)C(=O)N(C)C 534592827 RWGVLWKKKUYQNC-OAHLLOKOSA-N 319.449 2.639 0 50 DFAA CCCCn1nccc1NC(=O)NC[C@@H](C)n1nc(C)cc1C 299766964 FPWZPIKIFZJEAR-CQSZACIVSA-N 318.425 2.879 0 50 DFAA COC[C@H]1CCCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)C1 824370206 LDDFBFHIHHNLJP-AWEZNQCLSA-N 310.482 2.818 0 50 DFAA CCc1[nH]nc2c1CN(C(=O)c1cc3sccc3[nH]1)CC2 584885961 DDHQABRSSVOFCM-UHFFFAOYSA-N 300.387 2.713 0 50 DFAA CCOc1ccc(OCc2nc([C@H]3CCCN(C)C3)n[nH]2)cc1 584888452 BZUPZAVMQZEDRW-ZDUSSCGKSA-N 316.405 2.592 0 50 DFAA O=C(c1ccnc(C2CC2)c1)N1CCN(c2ccc(O)cc2)CC1 679953334 DDQIOSRQTFLOHC-UHFFFAOYSA-N 323.396 2.627 0 50 DFAA CCN(C)C1(CNC(=O)[C@@H]2CC(C(C)C)=NO2)CCCCC1 670453088 MUJARHYOOWGPQD-HNNXBMFYSA-N 309.454 2.558 0 50 DFAA O=C(NC1CCC(O)(c2cccc(F)c2)CC1)c1cc(F)c[nH]1 1875254940 SYNBACLHRVARCA-UHFFFAOYSA-N 320.339 2.853 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2C[C@@H](C)Cc3ccccc32)CC1 1875365660 MIKIUSOWVZRLGN-AWEZNQCLSA-N 312.413 2.636 0 50 DFAA Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)/C=C/CN(C)C)c1 1875376089 ZDVICLQVKABZKO-KYIQILLBSA-N 316.445 2.919 0 50 DFAA CC(C)c1nc([C@H]2CN(C(=O)c3ccco3)C[C@@H]2C2CC2)n[nH]1 952849013 PXEANQQVZWJJKM-OLZOCXBDSA-N 314.389 2.787 0 50 DFAA CC(C)Oc1cccc(CCNC(=O)[C@H]2CC(C(C)C)=NO2)c1 952873271 YCNAVGRCTQBZOU-QGZVFWFLSA-N 318.417 2.933 0 50 DFAA O[C@H](CN1CCC[C@H](c2ccncn2)C1)c1ccc(F)c(F)c1 1363200171 OBKSUZKUNXIWLN-SUMWQHHRSA-N 319.355 2.668 0 50 DFAA CCc1cc(N2CCC(c3nncn3C(C)C)CC2)nc(C)n1 272806391 BNFDIWKZNQIVBY-UHFFFAOYSA-N 314.437 2.904 0 50 DFAA COc1cc2nc(N(C)CC3CCCC3)nc(N)c2cc1OC 301254727 QQDPWSOPVCZJTO-UHFFFAOYSA-N 316.405 2.856 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc2cc[nH]c12 275259678 BGQIQAUFGUUFIO-HOCLYGCPSA-N 324.384 2.644 0 50 DFAA Cc1noc(C)c1[C@@H](C)NC(=O)CCc1ccc(C(=O)O)cc1 170671428 PZSGADRHEBMKFU-SNVBAGLBSA-N 316.357 2.800 0 50 DFAA O=C(C[C@H]1CCCN1C(=O)c1cccc(O)n1)c1cccs1 279534228 WEUSFGIEMFKFKM-LLVKDONJSA-N 316.382 2.726 0 50 DFAA Cc1cc[nH]c1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 280507920 AIORAZZEIWGIDN-BXUZGUMPSA-N 306.312 2.549 0 50 DFAA Cc1cnccc1CC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C 187472774 JSNXOZVPKZOGDM-YJBOKZPZSA-N 310.397 2.921 0 50 DFAA CC(C)(C(=O)N1CCC[C@@H]([C@@H]2CCCNC2)C1)c1cccnc1 646377686 FOYZSFLEBBJKLG-HZPDHXFCSA-N 315.461 2.597 0 50 DFAA O=C(Nc1cc(C(=O)N2CCC(C3CC3)CC2)ccn1)C1CC1 646763428 XUMLSLISCKPDJF-UHFFFAOYSA-N 313.401 2.692 0 50 DFAA Cc1c(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)ccn1C 648469615 RBHMLNFGBMBLPU-UHFFFAOYSA-N 308.284 2.585 0 50 DFAA CCO[C@@H](CNC(=O)NCc1cscn1)c1ccccc1 193560178 XZZSLFQHUHHOCQ-AWEZNQCLSA-N 305.403 2.720 0 50 DFAA CC(C)N(C)c1cccc(NC(=O)N(CCO)CC(F)F)c1 193953060 LMTOPVGXMATELC-UHFFFAOYSA-N 315.364 2.623 0 50 DFAA COC(=O)CCc1csc(-c2ccc(N3CCCC3)nc2)n1 195231506 CGOOFTZSKYAEDD-UHFFFAOYSA-N 317.414 2.911 0 50 DFAA C[C@H](c1ccccc1)n1ccc(NC(=O)C[C@H]2CCCNC2)n1 655439540 ZBSAIFXBIUHQEF-HUUCEWRRSA-N 312.417 2.821 0 50 DFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCC1(O)CCCCCC1 657365940 GZMYLZQRWLEFSB-JKSUJKDBSA-N 321.465 2.563 0 50 DFAA COc1nc(C)cc(N(C)Cc2nc3c(s2)CCCC3)n1 679634763 ZAVMWWGFGXSZEE-UHFFFAOYSA-N 304.419 2.765 0 50 DFAA COC[C@@](C)(NS(=O)(=O)/C=C/c1ccccc1)C(F)(F)F 775208177 LFHFEBKCYANDJY-IDVQTMNDSA-N 323.336 2.544 0 50 DFAA COc1ccc(-c2nc(SC)ncc2C(=O)O)cc1OC 1506400598 OFVCQUCMNLXRIT-UHFFFAOYSA-N 306.343 2.581 0 50 DFAA Cn1c(C(=O)Nc2cnn3c2NCCC3)cc2cc(F)ccc21 1506421323 GXODGHVNIZBPML-UHFFFAOYSA-N 313.336 2.582 0 50 DFAA CC(=O)c1cnc(NCCCc2nc3ccccc3n2C)nc1C 1772705093 KFDYCUJTJZPFSV-UHFFFAOYSA-N 323.400 2.919 0 50 DFAA Cc1cc(N2CCN(Cc3ccn4nccc4c3)CC2)cc(C)n1 1772817796 XFXOWNTWHNKUHO-UHFFFAOYSA-N 321.428 2.668 0 50 DFAA OC[C@]12CCOC[C@H]1CN(c1nc3ccc(Cl)cc3s1)C2 1772707566 XHQJRYRBCVUZMV-MEBBXXQBSA-N 324.833 2.785 0 50 DFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)CC1 14627208 CTPSQCXDQJDCOH-UHFFFAOYSA-N 324.446 2.702 0 50 DFAA CN1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16603230 UGSBAGNVDQHGGL-UHFFFAOYSA-N 301.217 2.746 0 50 DFAA O=C(COc1ccccc1Br)NCc1ccccn1 17360095 YDKUWFATQAYMQH-UHFFFAOYSA-N 321.174 2.539 0 50 DFAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)NCc1ccon1 19537717 GKLWAHXYPLFJJF-UHFFFAOYSA-N 300.358 2.637 0 50 DFAA Cc1ccc2ccccc2c1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669776 GSNVASWTFOBJIR-FXAWDEMLSA-N 311.425 2.979 0 50 DFAA Cc1ccc(C)c(OCCCN(C)C[C@@H]2CCC(=O)N(C)C2)c1 1857704595 YVQLEBCQXIUVMO-KRWDZBQOSA-N 318.461 2.873 0 50 DFAA Cc1noc([C@@H](C)N2CCN(Cc3cccc(C)c3C)CC2)n1 121284439 ILICXAOHMQOHAP-OAHLLOKOSA-N 314.433 2.874 0 50 DFAA Cc1ccc([C@H](Cc2ccccc2)NCc2nnn(C)n2)cc1C 225622615 TUVFXZSNKPSRRP-SFHVURJKSA-N 321.428 2.901 0 50 DFAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1csc(CN)n1 237542946 RPJLJUXCABPRJT-CMPLNLGQSA-N 319.405 2.759 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 238078967 QYUVSTIMPWYAQF-AWEZNQCLSA-N 317.385 2.945 0 50 DFAA Cn1cc(-c2ccccc2)c(NC(=O)NCC[C@@H]2CCCO2)n1 252483114 DVIHJBDISGZUGB-AWEZNQCLSA-N 314.389 2.778 0 50 DFAA O=C(Cc1cncnc1)NCCc1c(Cl)cccc1Cl 253419331 HTABVNZJMYIKRB-UHFFFAOYSA-N 310.184 2.685 0 50 DFAA CCc1cccc2c1OCC[C@H]2NC[C@H](O)c1ccc(F)cn1 818997661 HYXWIAWFLNVGKY-WBVHZDCISA-N 316.376 2.930 0 50 DFAA COc1cc(C(C)C)c(S(=O)(=O)Nc2cnn(C)c2)cc1C 901848913 HXQWTYNAJJFTRN-UHFFFAOYSA-N 323.418 2.661 0 50 DFAA CN(C)CCOc1cccc(-c2ccc3c(c2)CCCNC3=O)c1 904776518 LZQVAGTXLZNYDC-UHFFFAOYSA-N 324.424 2.970 0 50 DFAA COc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1 53206 HZPLSRDMAKIJRU-UHFFFAOYSA-N 323.348 2.774 0 50 DFAA biogenic Cc1ccc2ccccc2c1Cn1cc(CN[C@@H]2CCOC2)nn1 2325772601 DRQJQVZRNDJCIA-MRXNPFEDSA-N 322.412 2.667 0 50 DFAA C[C@@H](NCC(C)(C)c1ccn(C)n1)c1cnc2ccccc2n1 2325773784 CRMBGGOOPYEZPJ-CYBMUJFWSA-N 309.417 2.992 0 50 DFAA O=C1c2cccnc2C(=O)N1c1ccc(Br)cc1 110506 CEJWBTRDANVADH-UHFFFAOYSA-N 303.115 2.645 0 50 DFAA CN[C@H]1CCCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 133625590 JQAUZFIXFDBQPH-INIZCTEOSA-N 320.408 2.576 0 50 DFAA O=C(NC(=S)NCc1cccnc1)c1cc2ccccc2o1 180570 KKCNEENPQLJWOA-UHFFFAOYSA-N 311.366 2.632 0 50 DFAA Cc1cccc(-n2ncc3c(N4C[C@@H](C)O[C@H](C)C4)ncnc32)c1 426482 BOVRQWUQMXMDLW-ZIAGYGMSSA-N 323.400 2.738 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 611335 KVXPPXDWVITJJU-RYUDHWBXSA-N 306.362 2.504 0 50 DFAA CCC[C@]1(C(=O)O)CCN(c2nccc3ccccc23)C[C@H]1O 2356154866 NIVIIQBLULXLRA-QAPCUYQASA-N 314.385 2.677 0 50 DFAA CC(=O)Nc1cccc(NC(=O)COc2ccccc2F)c1 6123517 ASOBTWMYMILIKW-UHFFFAOYSA-N 302.305 2.802 0 50 DFAA COC(=O)c1ccccc1NC(=O)C(=O)c1c[nH]c2ccccc12 6701375 FVQMPVIEBRMKEK-UHFFFAOYSA-N 322.320 2.776 0 50 DFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(C)c2)n1 7343763 XTZBPHWFXFYXRL-UHFFFAOYSA-N 317.414 2.680 0 50 DFAA CNC(=O)[C@@H]1CCCC[C@H]1Nc1nnc(-c2ccccc2)s1 225494697 MIXUXXKHJYVJBI-CHWSQXEVSA-N 316.430 2.922 0 50 DFAA CCc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1 8080007 JQCLUFJXKXPXCT-UHFFFAOYSA-N 300.333 2.757 0 50 DFAA CCCCOc1cc(S(=O)(=O)n2ccnc2)ccc1Cl 8714716 NMUGYBTVQWDWTD-UHFFFAOYSA-N 314.794 2.952 0 50 DFAA CN(C)c1nnc(CN2CCC[C@@H](c3ccccc3)CC2)o1 225676376 SGVUVGHXENZPGD-OAHLLOKOSA-N 300.406 2.905 0 50 DFAA O=C(CSc1nc2ccccc2[nH]1)NC1Cc2ccccc2C1 9356379 OISRFMWHWXHDCI-UHFFFAOYSA-N 323.421 2.939 0 50 DFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)Cc2ccncc2)C1 67562914 NMVXKCUTFIFSNG-SFHVURJKSA-N 323.440 2.571 0 50 DFAA Cc1cnc(C)c(N2CCCN(c3ccc(F)cc3)CC2)n1 302231628 SEODCUXTFUKFCZ-UHFFFAOYSA-N 300.381 2.949 0 50 DFAA O=C(c1cccc(Cn2ccnc2)c1)N1CC(CC(F)F)C1 425074811 GQTDHDLTKLRNJR-UHFFFAOYSA-N 305.328 2.659 0 50 DFAA CNc1ncc(CN(C)Cc2nc(-c3ccco3)oc2C)cn1 67742260 ICAITDIFXAZTNP-UHFFFAOYSA-N 313.361 2.707 0 50 DFAA CCC[C@@H](NCc1cc2c(cc1OCC)C[C@@H](C)O2)C(=O)O 123215899 LRYYSZTVOVBTGU-BXUZGUMPSA-N 307.390 2.752 0 50 DFAA COc1nscc1NC(=O)N1CCC([C@@H]2CCCO2)CC1 1366624079 RUBVRITXRZXPDB-LBPRGKRZSA-N 311.407 2.575 0 50 DFAA COC(=O)c1sc(NC(=O)[C@H](C)c2ccccc2)nc1C 473465 WLAFSKSWGROUMR-SECBINFHSA-N 304.371 2.980 0 50 DFAA CC(=O)c1cc(CN2CCN(C3CCSCC3)CC2)cs1 215292257 QTMUQNOPPPOGMA-UHFFFAOYSA-N 324.515 2.964 0 50 DFAA CC[C@@H](F)CN1CCC(O)(c2cc(OC)cc(OC)c2)CC1 328598938 PHLXROMJFWCXIX-CQSZACIVSA-N 311.397 2.735 0 50 DFAA CC(C)c1nc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)n[nH]1 253432111 IWKMJTSFIMVEIG-HIFRSBDPSA-N 300.406 2.890 0 50 DFAA CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CCCSCC1 253432896 PMYQNVZGFFHCHU-UONOGXRCSA-N 300.468 2.586 0 50 DFAA CCc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)n2nc(C)c(C)c2n1 72481017 ZAYRIWHORPSTFG-FUHWJXTLSA-N 322.412 2.979 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CC(F)(F)C[C@H]1CO 370407359 QDDHFXJBSLHMLT-LBPRGKRZSA-N 324.302 2.524 0 50 DFAA c1cnn(CCN(Cc2ccsc2)[C@H]2CC23CCNCC3)c1 262024260 ZIESKBSNTUVSPH-INIZCTEOSA-N 316.474 2.589 0 50 DFAA FC(F)(F)c1cccc(N2CCN([C@@H]3CCCNC3)CC2)c1 35835451 VCEBVQUNVRUVPC-OAHLLOKOSA-N 313.367 2.579 0 50 DFAA C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](O)Cc1ccccc1 373508519 KUMSVKOJBSNBFX-SNRMKQJTSA-N 309.409 2.995 0 50 DFAA Cn1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc2ccccc21 237712913 GJMVGNIHLQCRTP-CYBMUJFWSA-N 314.385 2.895 0 50 DFAA O=C(NC1(C(=O)O)CCCCC1)c1c(Cl)nc2ccccn12 237962706 KDXQKEDIAPTMAN-UHFFFAOYSA-N 321.764 2.505 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccn1 238079943 RRAPBYYCBDELQG-HNNXBMFYSA-N 312.325 2.563 0 50 DFAA CC(C)c1[nH]ccc1C(=O)N[C@H](CC(N)=O)C1CCCCC1 286286621 WFUVUEDLZZTCEN-CQSZACIVSA-N 305.422 2.692 0 50 DFAA O=c1[nH]nc(Cc2c[nH]c3ccccc23)n1-c1cccc(F)c1 71780013 UEZRGZXUMHKCMP-UHFFFAOYSA-N 308.316 2.772 0 50 DFAA COc1ccc(CN(C)c2nccc(-c3cn(C)nc3C)n2)cc1 48482787 KGZUTGCAKVBGRQ-UHFFFAOYSA-N 323.400 2.831 0 50 DFAA CC(C)n1cnc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 337271717 BUKQHDDMFDDTPH-IMJJTQAJSA-N 305.422 2.620 0 50 DFAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)o1 222330331 ILZWZALEYQLGJU-UKRRQHHQSA-N 317.341 2.606 0 50 DFAA Cc1csc([C@H](C)C(=O)N[C@@H](CO)c2ccccc2C)n1 613218771 PGTVDTKVFJWVHM-OCCSQVGLSA-N 304.415 2.713 0 50 DFAA CCCCc1cn(CC2CCN(C(=O)c3ccco3)CC2)nn1 48482826 NZIXVQWMLRDOQC-UHFFFAOYSA-N 316.405 2.766 0 50 DFAA O=C(c1ccc2c(c1)CCCO2)N1CC(Oc2ccccc2)C1 426386977 ACFJJVOTIFKCNI-UHFFFAOYSA-N 309.365 2.915 0 50 DFAA CN(C/C=C/c1ccccc1)C(=O)NC[C@H]1CCCCN1C 426517669 UQESGEUZUYOBBQ-VGMNTSGFSA-N 301.434 2.826 0 50 DFAA c1cncc([C@@H]2CN(Cc3nc4c(s3)CCCC4)CCO2)c1 97696266 KIZJNJZAYXWEFB-HNNXBMFYSA-N 315.442 2.990 0 50 DFAA Cc1ccn2cc(CNC(=O)[C@H]3COc4ccccc4C3)nc2c1 95501960 AYHHNFKEUTYTKE-OAHLLOKOSA-N 321.380 2.510 0 50 DFAA CCCCn1ccnc1[C@H]1CCCN(c2cc(C)nc(N)n2)C1 95522614 NGSWHXKKZUSOPK-AWEZNQCLSA-N 314.437 2.748 0 50 DFAA Cc1cc(C)c2c(NCc3noc(CC(C)C)n3)ncnc2n1 95355602 ZGIKTBYUTURKCN-UHFFFAOYSA-N 312.377 2.835 0 50 DFAA COc1ccc2c(c1)OC[C@H](C(=O)N(C)C1CCSCC1)C2 91846721 BHXIWOLCBFWOCJ-CYBMUJFWSA-N 321.442 2.600 0 50 DFAA Cc1ccc([C@H](C(=O)N(C)C2CCSCC2)N(C)C)cc1 95383911 QOGUUHACVUAOJC-MRXNPFEDSA-N 306.475 2.952 0 50 DFAA Cc1scc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1C 180206163 FIQDIZASIYTHDI-CQSZACIVSA-N 322.474 2.596 0 50 DFAA N[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H]1C1CC1 91460766 LEKQNSLCJGKNCP-NEPJUHHUSA-N 303.793 2.631 0 50 DFAA Cc1ccc(C)c(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 252522881 BISMYFWPFRCZSM-ZWOKBUDYSA-N 324.424 2.869 0 50 DFAA COc1ccccc1N1CC[C@@H](CNC(=O)N[C@@H](C)C2CC2)C1 299541496 AESRXVHIMOZYDQ-KBPBESRZSA-N 317.433 2.619 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCOc1ccc(F)cc1 299743542 OCCDXRINFYMWTQ-WQVCFCJDSA-N 307.365 2.922 0 50 DFAA CC(=O)c1ccc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)cc1 299798828 OTYDCPCOOFQTIA-OAHLLOKOSA-N 314.429 2.884 0 50 DFAA O=C(NCCc1cnc[nH]1)[C@@H]1CCCc2c1[nH]c1ccccc21 827755804 WRWFTYFSZWFWRD-OAHLLOKOSA-N 308.385 2.670 0 50 DFAA Cc1nonc1CN1CCC[C@H](COc2cccc(F)c2)C1 670439926 LYNMGVFQWSZULC-ZDUSSCGKSA-N 305.353 2.808 0 50 DFAA COC(=O)c1sc2nc(C)ccc2c1NC(=O)[C@@H]1CCCO1 863947018 GVGXZVBHOHPOIV-JTQLQIEISA-N 320.370 2.509 0 50 DFAA CC[C@@H]1CN(C(=O)NCc2cnc(Cl)s2)C[C@@H](C)O1 864095428 LBEIBRJWOZEECM-RKDXNWHRSA-N 303.815 2.505 0 50 DFAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 864382404 QWTMSHFQLFBBGO-SGJXGLNRSA-N 310.401 2.801 0 50 DFAA Cc1ccnc(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)c1 1875295879 TXJBBKHVLAFHGT-INIZCTEOSA-N 315.804 2.830 0 50 DFAA CN(c1cc(-c2nc(C3(N)CCC3)no2)ccn1)C1CCCC1 1875253274 KDUYADWJNZTMNJ-UHFFFAOYSA-N 313.405 2.848 0 50 DFAA O=C(NCC1CCCC1)NS(=O)(=O)c1cccc(Cl)c1 1875324571 DKUROTZUXJEPMC-UHFFFAOYSA-N 316.810 2.518 0 50 DFAA C=CC(=O)N(Cc1cc(F)cc(OC)c1)C[C@](C)(O)C1CC1 1875382068 POGQMBAKPWBPFA-KRWDZBQOSA-N 307.365 2.510 0 50 DFAA C=CC(=O)N(Cc1cccc(C)c1)C[C@](C)(O)C(F)(F)F 1875382653 LAEIPTRGYVZKFC-AWEZNQCLSA-N 301.308 2.823 0 50 DFAA N[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1ncnc2[nH]c3cc(F)ccc3c12 1875303762 LZQUNNCFVPHCGA-GAQJKIJGSA-N 311.364 2.788 0 50 DFAA C[C@H](C(=O)Nc1ccccc1CN1CCOCC1)n1cccc1 952868705 ROLZGGKHTNGGQP-OAHLLOKOSA-N 313.401 2.520 0 50 DFAA CC[C@@H]1C=CCN1S(=O)(=O)c1ccc2nc(C)sc2c1 952862710 PZNXPSTVXUTSLE-LLVKDONJSA-N 308.428 2.944 0 50 DFAA CCCCN(Cc1cccnc1)C(=O)[C@H](C)n1cc(C)cn1 952861713 IXWZCDUETWJPLU-HNNXBMFYSA-N 300.406 2.976 0 50 DFAA Cn1cccc1C(=O)N[C@H](CO)c1ccccc1C(F)(F)F 886560928 LOXCUMIXHRTHKU-GFCCVEGCSA-N 312.291 2.507 0 50 DFAA COc1ccc([C@H](C)[C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)cc1 888093251 WCSMEHJBBWVYDP-VXGBXAGGSA-N 315.417 2.886 0 50 DFAA CC(C)c1ncc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)[nH]1 1773094441 PPZUJHXFIPLGIT-GFCCVEGCSA-N 313.357 2.752 0 50 DFAA Cc1ccc(O)cc1C(=O)N1CCC[C@H]2c3[nH]cnc3CC[C@@H]21 1775987340 GVQPBLRNBFYRST-CJNGLKHVSA-N 311.385 2.758 0 50 DFAA Cc1nc(N)c2c(C)c(C(=O)N3C[C@@H](C)C[C@H]3C)sc2n1 1361929960 MODWMBXDVFFYFH-JGVFFNPUSA-N 304.419 2.761 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 91302980 GNEASONALBKLGH-KSSFIOAISA-N 316.401 2.527 0 50 DFAA in-vitro O=C(Nc1ccccc1-c1nn[nH]n1)c1cccc2c1CCC2 738192709 WPHFDCDZFUPVNH-UHFFFAOYSA-N 305.341 2.608 0 50 DFAA Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 110723505 DFAAXONMWMGFIN-CYBMUJFWSA-N 322.478 2.780 0 50 DFAA Cc1nc2ccccc2nc1SCCN1CCOC[C@@H]1C 170605576 WKACNVNTTMTSIT-LBPRGKRZSA-N 303.431 2.751 0 50 DFAA COc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)cc1F 187235306 KSHBIXOLPMCRPK-WQGACYEGSA-N 324.396 2.962 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)CCc2ccon2)[C@@H](C)CO1 669230094 VZENHPAMLCQZNP-WMLDXEAASA-N 314.385 2.904 0 50 DFAA CCN(CC)Cc1csc(NC(=O)[C@@H](C)CSC)n1 584906788 GZXIZARXZHHFTL-JTQLQIEISA-N 301.481 2.923 0 50 DFAA Cc1cccc(C)c1N(C[C@@H](C)N(C)C)C(=O)[C@H]1CCCO1 585125343 OSWJLGHOHLAPIK-HZPDHXFCSA-N 304.434 2.766 0 50 DFAA COc1cccc([C@@H]2CCN2C(=O)c2onc3ncccc23)c1 1772814234 PECKAASMRZSVON-AWEZNQCLSA-N 309.325 2.819 0 50 DFAA COc1ccc(-c2cnnc(NCCCSC)n2)c(OC)c1 12438178 ITTXGEDZZPMJGR-UHFFFAOYSA-N 320.418 2.721 0 50 DFAA CCCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 16602388 IZLBCEOUQUVRST-UHFFFAOYSA-N 309.413 2.997 0 50 DFAA Cc1cccc(C)c1OC1CCN(C(=O)[C@H]2CCC[C@H]2N)CC1 152226379 QTJDVNHFRBNZEP-DLBZAZTESA-N 316.445 2.801 0 50 DFAA CC(C)c1cc(CNCc2nn(C)cc2Br)on1 1875278139 CESIEXBNDLXIIR-UHFFFAOYSA-N 313.199 2.584 0 50 DFAA O=C(c1cc(F)cc2ccoc12)N1CCC[C@H]1c1ncon1 820113216 SHWIWFOZGMJCPG-LBPRGKRZSA-N 301.277 2.932 0 50 DFAA Cc1c(F)cccc1NC(=O)c1nn(C)c(=O)c2ccccc12 1431673 DKUAKKKZMQZTIY-UHFFFAOYSA-N 311.316 2.633 0 50 DFAA COC(=O)c1nc(-c2ccccc2)oc1N1C[C@H](C)O[C@H](C)C1 1857800205 CVJXQAAWGFTJDA-TXEJJXNPSA-N 316.357 2.742 0 50 DFAA COc1cc2ncnc(N3CC(c4cc[nH]n4)C3)c2cc1Cl 2325789578 ZNTFFUQYPXHBAE-UHFFFAOYSA-N 315.764 2.619 0 50 DFAA Cn1nc2c(c1C(=O)OC[C@@H]1C[C@H]3C[C@H]1[C@H]1C[C@H]13)CSCC2 2325790785 LBDWOULEZLSFAZ-IEECTRCBSA-N 318.442 2.658 0 50 DFAA CCOc1ccccc1N1C(=O)C[C@H](Nc2ccccc2)C1=O 63427 PMKUWJDHOWROOR-AWEZNQCLSA-N 310.353 2.829 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 122352 HGNMRYMGUGOATL-RYUDHWBXSA-N 310.419 2.597 0 50 DFAA COc1ccc([C@@H](O)Cc2nc3ccccc3n2C)cc1OC 233967 SXSAUFAZKRXJSY-HNNXBMFYSA-N 312.369 2.867 0 50 DFAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cnccn1 355977 ISEMFMWYQJMHNA-UHFFFAOYSA-N 305.359 2.530 0 50 DFAA Cc1nc(NC(=O)[C@H](C)c2ccccc2)sc1C(=O)N(C)C 475112 YHRYAJGCLLMPIT-SNVBAGLBSA-N 317.414 2.896 0 50 DFAA O=C(O)Cn1cc(C(=S)N2CCCCC2)c2ccccc21 555344 OWPVNMRKELWEJD-UHFFFAOYSA-N 302.399 2.887 0 50 DFAA CC(C)N(C(=O)Cn1c(=O)[nH]c2ccccc21)c1ccccc1 2502332 BELIMCBGHAPBSE-UHFFFAOYSA-N 309.369 2.771 0 50 DFAA C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccccc2)C1=O 4269200 JWYHVXCUFQZPFL-APPDUMDISA-N 310.378 2.960 0 50 DFAA CCOC(=O)c1c(C)nsc1NC(=O)c1ccccc1OC 6741974 GKXDWICMCCCQMG-UHFFFAOYSA-N 320.370 2.889 0 50 DFAA C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC[S@]1=O 225447479 OIPLZKXTAGEIAW-AYLIAGHASA-N 320.241 2.977 0 50 DFAA COCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 10155093 AOMPZGUGHVKHGF-GJZGRUSLSA-N 321.373 2.541 0 50 DFAA CN1CCC(NC(=O)CCCOc2ccc(Cl)cc2)CC1 54148149 YUPGZBDGSZUTAO-UHFFFAOYSA-N 310.825 2.709 0 50 DFAA CCOC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 20365244 JPNJWTSLHUDREJ-UHFFFAOYSA-N 311.691 2.912 0 50 DFAA O=C1NCCCc2[nH]c(-c3cccc(C(F)(F)F)c3F)nc21 65409639 GSFPZMARKTXMOU-UHFFFAOYSA-N 313.254 2.911 0 50 DFAA CCc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)no1 67674949 FHQJBQMXMJBOGC-UHFFFAOYSA-N 313.336 2.536 0 50 DFAA CC1(C)[C@H](NC(=O)C2(c3ccccc3F)CC2)[C@H]2CCO[C@H]21 230088064 XRQNHHNDYXBHPH-KCPJHIHWSA-N 303.377 2.787 0 50 DFAA CC1(C)CN(CC(=O)NC2CCCC2)CC[C@@H]1C(F)(F)F 252489351 JOQDHFTYSKLUGQ-LBPRGKRZSA-N 306.372 2.956 0 50 DFAA Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)nc(C)n1 328609058 CDPGFKQGWWTETL-NVXWUHKLSA-N 311.385 2.601 0 50 DFAA CCCCOC(=O)c1ccc(NC(=O)c2cnn(C)c2C)cc1 2761588 ZZRCXRMVENXPDD-UHFFFAOYSA-N 315.373 2.938 0 50 DFAA CC(C)n1ncc2c1C[C@@H](NC(=O)Nc1nccs1)CC2 253430919 OTDZQONAPDJCSU-NSHDSACASA-N 305.407 2.600 0 50 DFAA Cc1ncc(CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)n1C 215393371 XYXVSGJTFAQYJU-LBPRGKRZSA-N 301.390 2.693 0 50 DFAA CCOc1cccc2[nH]cc(CC(=O)N3CCOCC[C@@H]3C)c12 364607247 MFJACESHJTZWBQ-ZDUSSCGKSA-N 316.401 2.747 0 50 DFAA CSc1ncc(-c2nccn2Cc2nc(C(C)C)no2)cn1 72164843 HDDPIOUTOALDED-UHFFFAOYSA-N 316.390 2.617 0 50 DFAA COc1cc(C)c(CN2CCC[C@H](NC(C)=O)C2)c(C)c1C 215104743 DALWMFXKRLFSCS-INIZCTEOSA-N 304.434 2.721 0 50 DFAA O=C(O)[C@H]1CC12CCN(C(=O)C/C=C/c1ccc(F)cc1)CC2 262500071 YHZYPKRKCNCHFO-BGTMTDRBSA-N 317.360 2.942 0 50 DFAA O=C(NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2 75013712 LGOOYQNNIIZWSZ-UHFFFAOYSA-N 311.337 2.670 0 50 DFAA COc1cc(CNC(=O)c2cc[nH]c2C2CC2)cc(OC)c1O 242140869 WPZVKTJNXKUTNN-UHFFFAOYSA-N 316.357 2.545 0 50 DFAA CC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1nccs1 242183881 XCSAQJBKMXLIBY-XQHKEYJVSA-N 321.446 2.851 0 50 DFAA Cc1nnnn1CCCN1CCCC[C@@H]1CCc1cccs1 77302916 HPTRLCKAUVXITH-OAHLLOKOSA-N 319.478 2.920 0 50 DFAA CCc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)[nH]1 220031909 XUGGDLOTXSQGGA-HNNXBMFYSA-N 300.406 2.859 0 50 DFAA Cn1cc(C(=O)N2CCCCC[C@H]2c2ccco2)ccc1=O 135143556 RTIMIACCTWPEGX-AWEZNQCLSA-N 300.358 2.736 0 50 DFAA 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CC(=O)c1cc(CC(=O)N2CCC[C@@]3(CCOC3)C2)cs1 91595810 ITWKVEYQVRDCLP-MRXNPFEDSA-N 307.415 2.522 0 50 DFAA O=C(NC[C@H](c1ccccc1F)N1CCCC1)C1CCOCC1 97492458 FYPCUGIFBZAQCW-QGZVFWFLSA-N 320.408 2.505 0 50 DFAA C[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)O 237361200 LSUZITVZSYLOFO-CYBMUJFWSA-N 322.364 2.893 0 50 DFAA Cc1nc(-c2ccnc(-n3cnnc3)c2)n(C2CCCCC2)n1 96133199 GDXWZFOAQVWVGU-UHFFFAOYSA-N 309.377 2.734 0 50 DFAA Cc1nc(C)n(CCCNC(=O)Nc2ccccc2Cl)n1 96138846 FQXGBWZDOAUDNC-UHFFFAOYSA-N 307.785 2.760 0 50 DFAA c1ccc2c(c1)CC(N1CCCN(C[C@@H]3CCCOC3)CC1)C2 243932523 BWUXRTMPSAGIHJ-KRWDZBQOSA-N 314.473 2.588 0 50 DFAA CCn1nnc(C)c1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 295058137 UZYJYRCAXBWZCA-ZDUSSCGKSA-N 314.389 2.639 0 50 DFAA O=C(N[C@H]1CCCc2ccccc21)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 245227988 UVMZXUCARQBRNW-XPYWIHLFSA-N 313.397 2.927 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)CCCC(=O)O)cc1 299750780 OJAACGWVJLBNCM-RDJZCZTQSA-N 319.401 2.786 0 50 DFAA CCN(C)C1(CNC(=O)c2ccc(C)cc2OC)CCCC1 534583219 CUCPZPCPKIPXDX-UHFFFAOYSA-N 304.434 2.998 0 50 DFAA Cc1ccccc1-c1nc(Cn2ccn3nccc3c2=O)c(C)o1 263619487 YWUMILQRAZGSPC-UHFFFAOYSA-N 320.352 2.816 0 50 DFAA CC[C@@H](NC(=O)c1ccc(CSC)o1)c1ncnn1CC 299797170 PXDBBCWDWLHANE-LLVKDONJSA-N 308.407 2.635 0 50 DFAA CN1Cc2ccc(CN(C)C(=O)CCC(F)(F)F)cc2C1 584903631 HNTLKWXOXHNADV-UHFFFAOYSA-N 300.324 2.933 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCc2ccc(CN(C)C)cc2)n1 670449765 AOUVMNHIVSPQIE-HNNXBMFYSA-N 300.450 2.740 0 50 DFAA Cc1noc(C)c1CN[C@@H](C)c1cc(C2CCOCC2)nn1C 1875285262 IHPIPBLCYAOGAU-LBPRGKRZSA-N 318.421 2.770 0 50 DFAA C[C@@H]1CCCN(CCNC(=O)c2cccc([C@@]3(C)CCO3)c2)C1 1875274889 YDFSINKVGKVFMP-DNVCBOLYSA-N 316.445 2.784 0 50 DFAA CN(C)C/C=C/C(=O)N(C)Cc1cc(F)cc(C(F)(F)F)c1 1875376584 BSCZBXLBRVSHQR-SNAWJCMRSA-N 318.314 2.921 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@H]1CCNC12CCC2 877003595 AQAPMJWJYRPXIE-JTQLQIEISA-N 302.296 2.621 0 50 DFAA C[C@H](O)c1nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2[nH]1 952973628 HITWJVUHBHKGKP-JTQLQIEISA-N 313.332 2.937 0 50 DFAA CCc1nnc(S[C@@H]2CCCc3c(Cl)ccnc32)n1N 1364286469 XRIKSVBNZJAQMY-SNVBAGLBSA-N 309.826 2.772 0 50 DFAA CCc1cc(C(=O)O[C@H](C)c2cccc(OC)c2)cc(=O)[nH]1 170593198 OAMWIPMKWRGRQN-LLVKDONJSA-N 301.342 2.864 0 50 DFAA C[C@H](CCc1cccc(F)c1)C(=O)N[C@](C)(C(=O)O)C1CC1 170592085 KEBYNDDGFPIZKR-DIFFPNOSSA-N 307.365 2.764 0 50 DFAA CCn1c(S)nnc1[C@@H]1CCCN(C(=O)CCC2CCC2)C1 170653264 DYQOYJRWTSGURN-CYBMUJFWSA-N 322.478 2.873 0 50 DFAA CCCCO[C@H]1C[C@@H](N(C)C(=O)c2snnc2C)C1(C)C 170612303 OTKMNWSHCICCAV-NEPJUHHUSA-N 311.451 2.902 0 50 DFAA CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 221865134 WHLPXMIONBUQDM-MELADBBJSA-N 313.467 2.554 0 50 DFAA Cc1cncc(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1 189863547 QBIBYOZLTLDERR-UHFFFAOYSA-N 305.422 2.833 0 50 DFAA COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cnn(C)c1 191816492 BMGVGKRGRYRESS-SNVBAGLBSA-N 323.780 2.740 0 50 DFAA COc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1C 651955793 ZZWTYEMNFSPRJN-UHFFFAOYSA-N 300.406 2.507 0 50 DFAA CO[C@H](C)C(=O)N1C[C@@H](C)Oc2ccc(Br)cc21 195278371 XJLNKBGJPAOTPX-RKDXNWHRSA-N 314.179 2.598 0 50 DFAA OCCOc1cncc(-c2ccc(C(F)(F)F)cc2CO)c1 665211284 QZDHOMXNRYFSOM-UHFFFAOYSA-N 313.275 2.631 0 50 DFAA COc1ccccc1-c1noc([C@@H]2CCCN2c2ncccn2)n1 795705833 XOHRRDYSGVOOMF-ZDUSSCGKSA-N 323.356 2.877 0 50 DFAA CCCc1cc(CN(C)CC(=O)Nc2cccc(F)c2C)n[nH]1 1506427466 MRUBSSGRMDEVDY-UHFFFAOYSA-N 318.396 2.880 0 50 DFAA Cc1cccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)n1 1529191476 ZTTREMDQQFRDFA-WOJBJXKFSA-N 323.440 2.648 0 50 DFAA O=C(c1cccnc1N1CCc2sccc2C1)N1CCCC1 1529112285 JBOFSTSGLKVAJA-UHFFFAOYSA-N 313.426 2.942 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(c1ncc(C)c(N(C)C)n1)C2 1704300376 ULXUMNFRVNNYDW-PBHICJAKSA-N 304.438 2.637 0 50 DFAA COc1cccc(C2=NO[C@H](C(=O)N3[C@H](C)CCC[C@H]3C)C2)c1 5029488 BUEYRBXARZZARL-XNJGSVPQSA-N 316.401 2.978 0 50 DFAA O=C(c1ccco1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 11760103 RJTVRBXBFHTGQT-SFHVURJKSA-N 316.401 2.534 0 50 DFAA Cc1cc(CN2CCC[C@](CO)(CCc3ccccc3)C2)[nH]n1 11935120 SJBOTWBTMHTKMJ-IBGZPJMESA-N 313.445 2.925 0 50 DFAA CC[C@H]1CCCCN1C(=O)CCc1nnc(-c2cc(C)on2)o1 12298607 BSSWKAPVUPDRGD-LBPRGKRZSA-N 318.377 2.757 0 50 DFAA COc1cccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1 19773592 CPYWYBJAGNJGDT-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA NC(=O)[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccncc1 1857697903 AVNZJRORWXEXQH-NLWGTHIKSA-N 321.424 2.533 0 50 DFAA CC(C)[C@@H]1N(c2ccc(S(C)(=O)=O)cn2)CC12CCCC2 408456741 KWVDZQUNJPOZLC-HNNXBMFYSA-N 308.447 2.890 0 50 DFAA CCCS(=O)(=O)NC1CCN(Cc2cccc(CC)c2)CC1 241911255 UAYVLOMXWVXGQC-UHFFFAOYSA-N 324.490 2.543 0 50 DFAA CCOc1ncc(C(=O)N2CCc3ncsc3C2)cc1Cl 353860119 UXNZKKMJXNDSET-UHFFFAOYSA-N 323.805 2.789 0 50 DFAA O=C([C@H]1CCC(F)(F)C1)N1CCC(Nc2cccnc2)CC1 373547549 KUMKIFCXLRJSNE-LBPRGKRZSA-N 309.360 2.920 0 50 DFAA C=CC(=O)N(C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 858649481 YDPRGIBUWSEHJB-GOSISDBHSA-N 300.402 2.679 0 50 DFAA O=C(O)c1cc(CN2CCc3ccc(Br)cc32)on1 713324786 OOPCWLGPJOOBRD-UHFFFAOYSA-N 323.146 2.698 0 50 DFAA CO[C@@H](C(=O)O)C1CCN(Cc2c(F)ccc3[nH]ccc23)CC1 2325787951 DHSJBWAZYVBNJP-MRXNPFEDSA-N 320.364 2.619 0 50 DFAA Fc1cccc2c1[C@@H](N[C@@H]1CCc3n[nH]cc3C1)CCCO2 2325797561 FVHYSIWJWURIGU-DOMZBBRYSA-N 301.365 2.910 0 50 DFAA C[C@@]1(CNC(=O)c2nnc3c(F)cccc3c2O)CC=CCC1 2325842114 ONQFNLBYOVEAQY-QGZVFWFLSA-N 315.348 2.951 0 50 DFAA O=C(O)Cc1ccc(C(=O)N2CCC=C(c3cccnc3)C2)cc1 2325854307 XBJVECGRQKIMIP-UHFFFAOYSA-N 322.364 2.638 0 50 DFAA C[C@@H](C(=O)NCC12CCC(CC1)C2(C)C)N1CCSCC1 2325870311 SEWYGJZIRVSFAH-CBCUQQMYSA-N 310.507 2.756 0 50 DFAA C[C@H](NC(=O)c1cncc2ccsc12)c1nnc2ccccn12 2325878111 DXFCYCXBXMFIOP-JTQLQIEISA-N 323.381 2.830 0 50 DFAA Oc1cccc2sc(CN3CC[C@H](Cn4ccnn4)C3)cc12 895229757 WYNFTCHUOKBRDG-LBPRGKRZSA-N 314.414 2.721 0 50 DFAA O=C1CN(Cc2cccc(-c3cccnc3)c2)[C@@H]2CCCC[C@@H]2N1 245568767 VURVNAHODALGTO-RBUKOAKNSA-N 321.424 2.992 0 50 DFAA COc1cc2c(cc1OC)[C@H](c1ccccn1)N(C(C)=O)CC2 207130 XWTHHVZAFRUUTI-GOSISDBHSA-N 312.369 2.593 0 50 DFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCc1cccc(Cl)c1 476390 LYYAGVSPDZKKHJ-KBPBESRZSA-N 309.793 2.890 0 50 DFAA CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O 536246 MDKHZYCZJPDUOP-UHFFFAOYSA-N 323.352 2.586 0 50 DFAA CCCCOc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 2091778 YEYGRERVEUNNRU-UHFFFAOYSA-N 304.342 2.996 0 50 DFAA biogenic Cn1cc(-n2nc(-c3ccccc3)nc2[C@H]2CC[C@H](N)CC2)cn1 2356150136 NJFWSYJOSIFGEU-SHTZXODSSA-N 322.416 2.653 0 50 DFAA CC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 9479269 XJFKWUBWDAUIHH-UHFFFAOYSA-N 312.325 2.669 0 50 DFAA COc1cccc(CN(CCN(C)C)Cc2cncs2)c1 349408850 QMRGKAPFGNUIPF-UHFFFAOYSA-N 305.447 2.716 0 50 DFAA CCCN(Cc1cccc(OC)c1)C1CCN(C(C)=O)CC1 65536625 MPCOTAKJPVBNFI-UHFFFAOYSA-N 304.434 2.918 0 50 DFAA CC(C)c1cc(C(=O)NCc2ccccc2-n2ccnc2)on1 67895725 AMUZLNPCILIELN-UHFFFAOYSA-N 310.357 2.914 0 50 DFAA Cc1cc(NC(=O)NCCC2CC2)cc(N2CCN(C)CC2)c1 252488538 IULXHGHIHZXHES-UHFFFAOYSA-N 316.449 2.668 0 50 DFAA C[C@H]1CN(C[C@H]2CCCN2C(=O)NC2CCCCC2)C[C@@H](C)O1 229766989 ORIFNUMBOWWDTF-HLLBOEOZSA-N 323.481 2.602 0 50 DFAA Cc1nc(/C=C/C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cs1 316659415 XZSVTHCYNNIHTJ-KTRBRXNASA-N 314.366 2.680 0 50 DFAA CCn1nccc1C(=O)Nc1nc2ccc(OC)cc2s1 2761676 UABWUKORGHFPTB-UHFFFAOYSA-N 302.359 2.774 0 50 DFAA O=C1CC(=O)[C@H](n2cncn2)[C@H](c2ccc(Cl)cc2Cl)C1 4024111 POTMWLVOWGCTKN-SMDDNHRTSA-N 324.167 2.842 0 50 DFAA Cn1cc(N2CCC[C@H](Nc3ccc4[nH]ccc4c3)C2=O)cn1 174089167 PEPIXUHKTRWVBX-INIZCTEOSA-N 309.373 2.509 0 50 DFAA COc1cccc(NC(=O)N[C@H]2CCCc3nn(C)cc32)c1 283082672 VTOJJMQVGRZHPR-AWEZNQCLSA-N 300.362 2.628 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2cc3cc(F)ccc3o2)n1 328629998 IXZCLVFEJNSORO-TZMCWYRMSA-N 317.320 2.571 0 50 DFAA COc1ccc(C2(CNC(=O)C[C@H]3CCNC3)CCCC2)cc1 215615732 ZUDJZINMLUTJJC-OAHLLOKOSA-N 316.445 2.623 0 50 DFAA COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@H](c2ccn[nH]2)C1 173508657 PGFVLKDZMHBVHY-STQMWFEESA-N 308.426 2.502 0 50 DFAA Cn1ccnc1[C@H]1CCN(C(=O)Cc2cnc3ccccc3c2)C1 364750666 UJQNYKKYPBRDLP-INIZCTEOSA-N 320.396 2.527 0 50 DFAA CCn1c(C)nnc1N1CC[C@H](Oc2ccccc2Cl)C1 284366566 KXTRQGFSKMIKHN-LBPRGKRZSA-N 306.797 2.918 0 50 DFAA OC[C@H]1Cc2ccccc2N(Cc2ccc(-c3cc[nH]n3)o2)C1 367799601 SEVJVMWFNYQRBI-ZDUSSCGKSA-N 309.369 2.841 0 50 DFAA CCn1c(C(=O)N2CCC(C(=O)O)CC2)cc2ccccc21 237197218 GSAKDJNIDXEIKP-UHFFFAOYSA-N 300.358 2.598 0 50 DFAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cccn1C(C)C 218954431 HFXDYTOGXGUSAO-WBVHZDCISA-N 320.433 2.939 0 50 DFAA C[C@H](c1ccsc1)N1CCN(C(=O)CC[C@H]2CCOC2)CC1 129880147 LSGOBAYVSXWXHK-CABCVRRESA-N 322.474 2.770 0 50 DFAA O=C(NCCn1cncn1)c1cccc(Oc2ccccc2)c1 220421510 RZRKTDYSZYMXNX-UHFFFAOYSA-N 308.341 2.500 0 50 DFAA CC(C)(C)c1cnc(CNC(=O)Cc2ccc(C(=O)O)cc2)o1 263318724 IIGFJCYJERYIOD-UHFFFAOYSA-N 316.357 2.529 0 50 DFAA C[C@H](C(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)s1 178175674 ZCIRVQMJZSXJJP-QMMMGPOBSA-N 301.795 2.828 0 50 DFAA COC[C@@H](CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1)OC 617228056 BTLILXTWZNDINQ-CQSZACIVSA-N 304.390 2.566 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H](N)C2)c2ccc(Cl)cc2n1 96160086 NDQJTOGQPKSBQT-GFCCVEGCSA-N 303.793 2.760 0 50 DFAA COCCN1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2 91794172 YRALBPLQINBZNW-SFHVURJKSA-N 302.462 2.834 0 50 DFAA C[C@H](N)C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 162046317 WPEOYQUVJYOMDY-JTQLQIEISA-N 306.312 2.721 0 50 DFAA Cc1ccc(NCCCNc2nc3c(s2)c(C)nn3C)nc1 96138586 GVFJNQQDWLTAMH-UHFFFAOYSA-N 316.434 2.956 0 50 DFAA Cc1cccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1C 239274667 ANPKQPKERIPPSY-OZINRZGZSA-N 322.408 2.726 0 50 DFAA CCC[C@]1(CO)CCCN(C(=O)Cc2sc(C)nc2C)C1 91351054 PRKQZZKTAQFVSY-INIZCTEOSA-N 310.463 2.704 0 50 DFAA CC[C@H](C(=O)NCc1ccc(-n2ccnc2C)cc1)n1cccn1 92062395 AQZPYCPTPGOWJB-QGZVFWFLSA-N 323.400 2.645 0 50 DFAA Cc1cccc([C@@H](C(=O)NC(C)(C)CN2CCCC2)N(C)C)c1 95381972 GIVAYZRQBDBHHN-KRWDZBQOSA-N 317.477 2.588 0 50 DFAA Cn1ccc2ccc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cc21 95513229 CCDJYZFIODXEQQ-MRXNPFEDSA-N 308.337 2.734 0 50 DFAA COCCN(CC(=O)N(C)c1ccccc1)Cc1ccsc1 244608571 FEWWSYGBXADJRP-UHFFFAOYSA-N 318.442 2.860 0 50 DFAA Cc1ccn2c(=O)cc(CN3CCC[C@H]3c3ccco3)nc2c1 243901463 BBRQFGGCYDSMCY-HNNXBMFYSA-N 309.369 2.933 0 50 DFAA Cc1cc2c(cc1NC(=O)N(CCO)C1CCCCC1)OCO2 184206195 MAKUUTJUGNQVBT-UHFFFAOYSA-N 320.389 2.883 0 50 DFAA CC1(CNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)COC1 252489018 JDRINEJQXKVATC-INIZCTEOSA-N 320.408 2.505 0 50 DFAA COc1ccc([C@H]2Cn3nc(-c4nc(C)no4)cc3CO2)cc1 263615746 FAGPCHZHIKELTM-OAHLLOKOSA-N 312.329 2.522 0 50 DFAA O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@@H]1CC=CCC1 534661150 QGYQVXSEIZUFAA-SNVBAGLBSA-N 319.311 2.987 0 50 DFAA Cc1cccc(C(=O)N2C[C@@](O)(C(F)(F)F)c3cccnc32)c1 1875286367 RRKLSFDIQRYXQS-HNNXBMFYSA-N 322.286 2.800 0 50 DFAA Cc1nn(C(C)C)cc1C(=O)NC[C@@H](C(=O)O)C1CCCCC1 630267663 QMIMDQZJNSZSGL-CQSZACIVSA-N 321.421 2.783 0 50 DFAA CCS[C@H](C)C(=O)Nc1cccc(-c2nncn2C)c1C 952978462 ACGHUAFKDVRNKF-LLVKDONJSA-N 304.419 2.871 0 50 DFAA C[C@H](CNC(=O)/C=C/c1nc2ccccc2s1)N1CCCC1 952984935 YVUOHRRUXWWODV-MMQHEFTJSA-N 315.442 2.910 0 50 DFAA COc1ccc(NC(=O)[C@H](CCSC)n2cccc2)cn1 888103697 UFVRHLGPVRXOOX-ZDUSSCGKSA-N 305.403 2.825 0 50 DFAA Nc1ccc([C@H]2CCCN2Cc2nccn2-c2ccccc2)nn1 886071911 PKUUAKYLPZRBIB-MRXNPFEDSA-N 320.400 2.582 0 50 DFAA CN(C)c1n[nH]c(NC(=O)c2coc3ccc(Cl)cc23)n1 1183432243 JDZZXFPPKCIXJP-UHFFFAOYSA-N 305.725 2.523 0 50 DFAA Cc1cccc2[nH]cc(CCC(=O)NC[C@H]3CCC[C@@H]3O)c12 1775986475 UYQGEMSVSDFVPJ-CJNGLKHVSA-N 300.402 2.686 0 50 DFAA C[C@@H](NC(=O)Nc1cnn(C)c1)c1cc(F)ccc1N(C)C 1775993767 KAQCXZWEZIRUHM-SNVBAGLBSA-N 305.357 2.508 0 50 DFAA CCc1nc(N(C)C[C@@H](O)c2cccnc2)c2ccsc2n1 895934372 BMRABEUDLMHBKX-CYBMUJFWSA-N 314.414 2.819 0 50 DFAA CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccccn1)N1CCCCC1=O 86999138 YBLCBGMUBYXCLF-HOCLYGCPSA-N 317.433 2.686 0 50 DFAA CC1(C)COc2c(C(=O)N[C@@H]3CCC[C@@]3(C)CO)cccc21 408448095 ORUNBKHAQYQZNL-KDOFPFPSSA-N 303.402 2.638 0 50 DFAA Cc1ccc(CC(=O)N2CCN(C)Cc3cccnc32)cc1C 585122516 TUQRRERFGJVUMD-UHFFFAOYSA-N 309.413 2.720 0 50 DFAA O=C(O)c1cccc(CNC(=O)c2coc(Br)c2)c1 170045176 JTFOQLOPZFGBER-UHFFFAOYSA-N 324.130 2.670 0 50 DFAA Cc1cccn(Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c1=O 190379539 JBBDDPPQVKMVHS-JSGCOSHPSA-N 317.389 2.507 0 50 DFAA CC(C)=CCNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 190547477 ISJFMWNNYDVHNN-UHFFFAOYSA-N 318.345 2.771 0 50 DFAA N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C1 191328935 BRFJUQMLZAAPAF-HZSPNIEDSA-N 312.335 2.759 0 50 DFAA Cc1nc(N2CCCC2)ccc1Nc1ncnc2onc(C)c12 192500070 YYRXHNDVVCBBHW-UHFFFAOYSA-N 310.361 2.973 0 50 DFAA Cn1cc(NC[C@@H]2CCCO[C@H]2c2ccnn2C)c(C2CC2)n1 657473367 ZCLUJRAZZLSVCN-SUMWQHHRSA-N 315.421 2.611 0 50 DFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc2cc[nH]c2c1 1529092636 WJUDCNHACVOCKL-SJLPKXTDSA-N 321.380 2.550 0 50 DFAA Cc1ccnc(N2CCC3(CC2)OCCc2sccc23)n1 1704337920 IAFRBFMNRJIWBR-UHFFFAOYSA-N 301.415 2.915 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc3nc[nH]c3c1)C2 1704312216 FQAIGQWRAQNWDV-SJLPKXTDSA-N 313.401 2.984 0 50 DFAA CSC[C@H](C)c1nc(-c2cc(Br)nn2C)no1 1616041465 SPWMDDLCDOGPTF-LURJTMIESA-N 317.212 2.699 0 50 DFAA COc1ccc(CCNC(=S)NCc2ccco2)cc1OC 5060203 MYPIFQATZHLIIP-UHFFFAOYSA-N 320.414 2.504 0 50 DFAA Cc1cc(C)cc(NC(=O)CSc2nc(C)c(C)c(=O)[nH]2)c1 5155199 PDLKVXSOJNMREU-UHFFFAOYSA-N 317.414 2.734 0 50 DFAA CN(CCc1ccccn1)c1ncccc1CNc1ncccn1 11822149 INJCRNHKFSJVBO-UHFFFAOYSA-N 320.400 2.558 0 50 DFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)C=C(C)C 11873398 MHTCGBJVSJQYJP-UHFFFAOYSA-N 321.509 2.607 0 50 DFAA C[C@@]1(CCC(=O)N2CCC[C@H](c3ccccc3)C2)CCC(=O)N1 14878805 CWIQVKSNMQYVLT-LPHOPBHVSA-N 314.429 2.842 0 50 DFAA CCC12CN3CC(CC)(CN(C1)C3c1ccc(OC)cc1)C2=O 19323100 XFOIKPJYEBNGRH-UHFFFAOYSA-N 314.429 2.701 0 50 DFAA biogenic c1cc(Cn2cncn2)cc(-n2ccnc2-c2cnsc2)c1 1857692782 UHIPTVFOGHEQNK-UHFFFAOYSA-N 308.370 2.636 0 50 DFAA CNC[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc23)C1 237058906 MSIBORJQGKRQLJ-GFCCVEGCSA-N 317.820 2.960 0 50 DFAA C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2526276 QJYMOTAFFJDTAG-WCQYABFASA-N 309.362 2.570 0 50 DFAA in-vitro Cc1nc(CNC(=O)C[C@H]2CCCC(C)(C)C2)sc1C(N)=O 636158793 FOLWAPOLCQBOCP-LLVKDONJSA-N 323.462 2.773 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@H]2CCOc3ccccc32)cc1 238019402 GEGAVGKKYZLIOH-CQSZACIVSA-N 311.337 2.681 0 50 DFAA CC(C)c1noc(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1 155741177 KNUJKGHOYWSAJT-ZDUSSCGKSA-N 301.346 2.978 0 50 DFAA CCOc1ccc(S(=O)(=O)[C@@H](C)c2snnc2C)cc1 901546166 CSMHGWPAGKHNHB-JTQLQIEISA-N 312.416 2.780 0 50 DFAA CC(C)c1nn(C)cc1-c1noc([C@@]23CCCC[C@@H]2NCC3)n1 904724935 TYWPXVZBWIWSQN-SUMWQHHRSA-N 315.421 2.767 0 50 DFAA CCc1cccc(C(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)n1 913237691 VMBLQOQWIZNQNI-HNNXBMFYSA-N 309.369 2.847 0 50 DFAA Cc1ccccc1-c1ccccc1C(=O)N[C@H]1C[C@@H](C(N)=O)C1 823943518 YUFOURSNSQIVHX-OKILXGFUSA-N 308.381 2.656 0 50 DFAA CCN(C(=O)c1cc(Br)ccc1F)[C@H](C)C(=O)O 659776330 RBQHBAWZDHQNDQ-SSDOTTSWSA-N 318.142 2.523 0 50 DFAA c1ncc(CC2CCN(CCCOC[C@@H]3CCCCO3)CC2)[nH]1 2325771764 OGBSFYJSDOYRMZ-SFHVURJKSA-N 321.465 2.640 0 50 DFAA CN[C@@H](Cc1ccc(F)cc1F)c1cn(C[C@H]2CC23CC3)nn1 2325777185 LECCVQFFMROYNJ-DOMZBBRYSA-N 318.371 2.860 0 50 DFAA O=C(Cc1c[nH]c2cccnc12)NCc1ccc2c(c1)CCCN2 2325786478 PEIDDUUHTFMBIX-UHFFFAOYSA-N 320.396 2.780 0 50 DFAA CCN1C(=O)N[C@H]2C[C@@]1(c1ccns1)Oc1ccc(O)cc12 2325801712 SPUHXUOKKBBBEL-NHYWBVRUSA-N 317.370 2.570 0 50 DFAA CCC[C@@H](CO)n1cnc2c(N(C)C3CCCC3)ncnc21 2325815178 IBENEUJHSRLKIR-ZDUSSCGKSA-N 303.410 2.539 0 50 DFAA N=c1[nH]c(C2CC2)cc(=NCc2ccnc(-c3ccccc3)c2)[nH]1 2325858969 INHWLCHXXRYPIK-UHFFFAOYSA-N 317.396 2.863 0 50 DFAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 100686215 RZNRCIQHDLGKBF-VDUILEQBSA-N 320.414 2.707 0 50 DFAA CC(=O)Nc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1 105800 QKXBIDASIGZUTK-UHFFFAOYSA-N 323.304 2.971 0 50 DFAA CN(C)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 533564 QXBQXAVBLPGTFY-UHFFFAOYSA-N 322.397 2.981 0 50 DFAA CCOCc1nnc(NC(=O)CSc2ccccc2)s1 2191228 CEAQUIJPGSBKQW-UHFFFAOYSA-N 309.416 2.805 0 50 DFAA Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2)CC1 3882781 PNYAWDLCFIHXCO-UHFFFAOYSA-N 315.804 2.885 0 50 DFAA O=C(Cn1nnc2ccccc2c1=O)c1ccc2c(c1)CCCC2 4512000 CQVLXOCALXVIKE-UHFFFAOYSA-N 319.364 2.553 0 50 DFAA CC1=C(C)C[C@@H](C(=O)NCc2ccccc2F)[C@@H](C(=O)O)C1 6741726 PEJVPQAWKNAIBF-KGLIPLIRSA-N 305.349 2.889 0 50 DFAA Cc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1 10329262 DLGLWBUEOFSAFI-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA O=C(NCCc1c[nH]c2ccccc12)[C@@H]1COc2ccccc2O1 8765005 FSEBQUMDOVOTRW-SFHVURJKSA-N 322.364 2.667 0 50 DFAA biogenic CCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)O)c1 9230768 UXVVCRSJGCHRMC-UHFFFAOYSA-N 312.325 2.986 0 50 DFAA COc1ccc(C2(NC(=O)CCc3cscn3)CC2)cc1 344647554 XHPKWTUBKFTIMX-UHFFFAOYSA-N 302.399 2.890 0 50 DFAA CCCN(Cc1ccc(OC)cc1)C(=O)c1cnc(OC)nc1 55393538 YNECYTVNYSWQAO-UHFFFAOYSA-N 315.373 2.546 0 50 DFAA C[C@H](CCc1ccco1)NC(=O)c1cnc(-c2cccnc2)nc1 65387265 KLFIHOFBTYDRDB-CYBMUJFWSA-N 322.368 2.883 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 248781213 VTXWMMCOKOWZMP-NIFZNCRKSA-N 322.449 2.842 0 50 DFAA FC(F)(F)c1ccccc1OCCN1CCC2(CCN2)CC1 422637392 OOHHXRUOAZCECQ-UHFFFAOYSA-N 314.351 2.912 0 50 DFAA Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cccc2c1OCO2 472012626 ZFUGICSKOJMOJE-UHFFFAOYSA-N 313.309 2.983 0 50 DFAA CC(C)N(C)c1ccc(CNCc2ccc3c(c2)OCO3)cn1 252479225 BBQAXFYVHSMTNY-UHFFFAOYSA-N 313.401 2.945 0 50 DFAA CON(CC1CCOCC1)C(=O)[C@H](C)O[C@H]1CCC[C@@H](C)C1 252527939 DTYNPUZPOGLTNZ-YCPHGPKFSA-N 313.438 2.787 0 50 DFAA C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NCCCOC1CCOCC1 229835893 QIMFNAIROQJQAH-YCPHGPKFSA-N 312.454 2.696 0 50 DFAA Cc1cccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)n1 39380762 PKFCSULHQNWULM-LJQANCHMSA-N 317.477 2.591 0 50 DFAA COc1ccc(C2=NO[C@H](C(=O)NCc3cccs3)C2)cc1 5029155 CQVQGOPFOPTWHP-HNNXBMFYSA-N 316.382 2.566 0 50 DFAA CN1CCC([C@H]2CCN(c3ncnc4c(F)cccc34)C2)CC1 433778820 CGUSIXULXBIYNY-AWEZNQCLSA-N 314.408 2.937 0 50 DFAA C[C@@H]1CCOCCN1CCCc1nc(-c2ccccc2)no1 367663348 QGEWTACQAQMFBR-CQSZACIVSA-N 301.390 2.780 0 50 DFAA Cc1n[nH]cc1CN1CCOC[C@H]1Cc1c[nH]c2ccccc12 368519477 QLBDPVJCYWHYLF-MRXNPFEDSA-N 310.401 2.643 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1Cc1ccc(Cl)s1 337260469 PTAJODCZIVRERI-YNEHKIRRSA-N 301.839 2.763 0 50 DFAA C[C@@H](NC1CCC2(CC1)OCCO2)[C@@H]1COc2ccccc21 156920427 JCELRQFGQIDKIR-CJNGLKHVSA-N 303.402 2.826 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC(C)(C)O1 332669471 YYLNBEHXLSTTFB-LLVKDONJSA-N 316.401 2.556 0 50 DFAA CO[C@H](C)c1nc(CN(C)[C@H]2Cc3ccccc3[C@H]2O)cs1 241644659 PSNMMBFCLUIMKC-XFBWCDHKSA-N 318.442 2.941 0 50 DFAA O=C(CCc1ccc2c(c1)OCO2)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71760085 OEFLMQSXVPTPNC-GEEKYZPCSA-N 313.397 2.852 0 50 DFAA CC(C)n1nc(O)c2c1NC(=O)C[C@H]2c1cccc(F)c1F 72117455 SFKNHFZNRYNVRY-VIFPVBQESA-N 307.300 2.922 0 50 DFAA CCc1nc(N2CCN(CC)CC2)c2cc(CC)sc2n1 41090142 RBBJSAYCKBOWLY-UHFFFAOYSA-N 304.463 2.958 0 50 DFAA CCC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 497278803 SJMXEALXDTVMRR-KBPBESRZSA-N 310.438 2.892 0 50 DFAA Cc1cc(CC(=O)N2CCC3(CCC(N(C)C)CC3)CC2)no1 615445419 OSKWSCOIIFTXPU-UHFFFAOYSA-N 319.449 2.639 0 50 DFAA CSc1ncc(C(=O)N2CCC(c3ccncc3)CC2)cn1 82098381 MSUWBDCSZVMZEC-UHFFFAOYSA-N 314.414 2.613 0 50 DFAA COc1ccccc1CN1CCC[C@@H](c2nc(N(C)C)no2)C1 194935711 QQJHKFBLXMKWHT-CQSZACIVSA-N 316.405 2.524 0 50 DFAA CCn1nc(CNC(=O)[C@@H]2CCCCCN2C)c2ccccc21 95383231 CPAWZPNGFIRSAM-KRWDZBQOSA-N 314.433 2.547 0 50 DFAA CC(C)c1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)on1 91289325 UUKYXXDPXWBYTO-UHFFFAOYSA-N 324.384 2.973 0 50 DFAA Cc1cccc([C@H](C(=O)N(C)CCC2CCOCC2)N(C)C)c1 95370970 RJJBXVLDVTYYIP-GOSISDBHSA-N 318.461 2.873 0 50 DFAA CCc1nc(C)c(C(=O)NC[C@@H]2CCOc3ccccc3C2)o1 97522571 REPWQINYIXPLKP-CYBMUJFWSA-N 314.385 2.917 0 50 DFAA CCCN(Cc1nccn1C)C(=O)c1ccc(-c2cc[nH]n2)cc1 95367524 IQNRAASTIMPMGO-UHFFFAOYSA-N 323.400 2.863 0 50 DFAA C[C@H](O)c1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1 95520153 NVNJEJBURMEFFT-LBPRGKRZSA-N 318.808 2.510 0 50 DFAA C[C@]1(c2ccccc2)CCC(=O)N(Cc2nnc3n2CCCC3)C1 91665332 IQVBUVZIWJTKJW-IBGZPJMESA-N 324.428 2.695 0 50 DFAA CC(C)(C)N1C[C@@H](CNC(=O)c2sccc2Cl)CC1=O 244716041 LHHDLJSRSDDDDJ-SECBINFHSA-N 314.838 2.778 0 50 DFAA O=C(CC[C@@H]1CCCO1)N1CCC([C@H](O)c2ccccc2)CC1 298359130 RAQXEOKSKYXQDY-PKOBYXMFSA-N 317.429 2.918 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C[C@H](O)C2 257346131 RPSMMZVJXWXNQX-MAPDTAMCSA-N 306.446 2.930 0 50 DFAA COc1ccc(-c2cc(C(=O)Nc3ccccn3)n(C)n2)cc1 252478566 APOULSHZDQMCQU-UHFFFAOYSA-N 308.341 2.743 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)Nc1ccc2[nH]ncc2c1 299756819 HMHQRBQLYMKUOT-CQSZACIVSA-N 302.378 2.986 0 50 DFAA Cc1cc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cnc1C 584903071 FRGRJDBUFZGIPV-WMZOPIPTSA-N 317.433 2.535 0 50 DFAA Cc1ccc(Cl)cc1C(=O)NC1(C(N)=O)CCCCCC1 670473426 UOGZSCMXOMJHDP-UHFFFAOYSA-N 308.809 2.957 0 50 DFAA CCC(CC)NCCNC(=O)Nc1ccc(C)c(NC(C)=O)c1 864063009 VDPARZODKIJBOS-UHFFFAOYSA-N 320.437 2.853 0 50 DFAA O=C(Nc1ccc(OC[C@@H]2CCCCO2)cc1)c1ccnnc1 885938885 FPYXZGHFHFJITD-INIZCTEOSA-N 313.357 2.677 0 50 DFAA COc1ccccc1O[C@@H]1CCCN(c2nccn3cncc23)C1 893841614 CROJKGRHVASDRW-CQSZACIVSA-N 324.384 2.786 0 50 DFAA O=C(NC1CC1)c1c(F)c(F)c(Br)c(F)c1F 408522806 LYEPKOIYWVOJCT-UHFFFAOYSA-N 312.060 2.898 0 50 DFAA CCN(CC)C(=O)Cc1ccc(Nc2ncnc3[nH]ncc23)cc1 170607529 DEEWLYJYDUWMAD-UHFFFAOYSA-N 324.388 2.507 0 50 DFAA O=C(C(c1ccccc1)c1ccccc1)N1CC(=O)N(C2CC2)C1 279686460 SUSBXYBZDDFTLR-UHFFFAOYSA-N 320.392 2.609 0 50 DFAA CCn1nccc1[C@@H]1OCCC[C@H]1CN=c1cc[nH]c(C)c1 664204382 UXWDPFFAZGNSBM-WMLDXEAASA-N 300.406 2.608 0 50 DFAA CC1=C(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)OCCO1 1506398191 IKAXLGZLDWHNPX-HOCLYGCPSA-N 319.376 2.931 0 50 DFAA Cc1cccc(N2CCC(N[C@H]3CCCCNC3=O)CC2)c1C 1506425619 DJHTVBQLOSLDCJ-KRWDZBQOSA-N 315.461 2.531 0 50 DFAA Cc1nc(S(=O)(=O)N2CCC[C@@H]3C[C@@H]32)c(-c2ccccc2)o1 1615586534 OJIFWHNSNRZXGH-KGLIPLIRSA-N 318.398 2.823 0 50 DFAA Fc1cccc(-c2noc([C@@H]3CC[C@H](Cn4ccnc4)O3)n2)c1 1615613986 KIBHOLZBTNHBEA-KGLIPLIRSA-N 314.320 2.993 0 50 DFAA Cn1cc(CN2CCCc3c(Br)cccc3C2)nn1 1616021044 AGPBYCRSRMIRMU-UHFFFAOYSA-N 321.222 2.526 0 50 DFAA CC(C)Cc1ccc(C(=O)N2C[C@H]3CCCN3C(=O)[C@H]2C)cc1 1772707593 XMELBWVCTIFREP-RHSMWYFYSA-N 314.429 2.720 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1ccsc1 1857698313 LCSDMYHCYKUWKT-WOSRLPQWSA-N 307.415 2.925 0 50 DFAA Cc1nc(NC(=O)c2cnn(Cc3ccccc3)c2)nn1C(C)C 1875244861 XOODNQUTBYHNBP-UHFFFAOYSA-N 324.388 2.665 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cccn2C(C)C)n[nH]1 408469694 KKAOPSLVUXDWPJ-ZDUSSCGKSA-N 301.394 2.863 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cnc(C)s2)cn1 328639858 PSANNCZZERHWND-HIFRSBDPSA-N 319.434 2.618 0 50 DFAA COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(CN)o3)C2)cc1 237377662 WSHPGDLRBZJETF-OCCSQVGLSA-N 314.385 2.765 0 50 DFAA Cn1c(C(=O)NC2(C(=O)O)CCC2)c(Cl)c2ccccc21 237715567 MKSCNKYRXGYWPM-UHFFFAOYSA-N 306.749 2.569 0 50 DFAA C[C@H]1CN(c2ccccc2CN[C@@H]2CCC[C@H]2CO)C[C@@H](C)O1 245343863 WEKKKTHQGYHMKR-CIRFHOKZSA-N 318.461 2.551 0 50 DFAA Cc1nn2c(nc1=O)-c1ccccc1N[C@@]2(C)c1ccc(F)cc1 253433258 UPVMUZVRXZKFOB-GOSISDBHSA-N 322.343 2.899 0 50 DFAA CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C(F)(F)F)C1 66676 CZYMDNIAEOFTEI-NSHDSACASA-N 306.671 2.813 0 50 DFAA Cc1cc(NC(=O)NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 4576408 PJXIQFDHQWAUIK-UHFFFAOYSA-N 313.144 2.987 0 50 DFAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CC(C)(C)[C@H](O)C2(C)C)cc1 2325786695 TZBWIOADLTXCFR-UXLLHSPISA-N 317.429 2.807 0 50 DFAA COc1cc([C@H](C)O)cc(OC)c1OC[C@@H](C)N1CCCC1 2325804924 CWMYGTAEHGRYCR-OLZOCXBDSA-N 309.406 2.620 0 50 DFAA O=c1cnccn1CCCCOc1ccc(Br)cc1 902739645 RZQAMFSFVAAVQA-UHFFFAOYSA-N 323.190 2.865 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)O)cc1 180515 NBEQEBSHGJJJCM-STQMWFEESA-N 309.749 2.867 0 50 DFAA Cc1cc(C)cc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 255749 UGPJXIBBLHQGHT-CYBMUJFWSA-N 322.364 2.927 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)NC(=S)NCc1ccccc1 399695 XJPVBBYAUVZIDK-ZDUSSCGKSA-N 314.410 2.645 0 50 DFAA Cc1ccc(NC(=O)CSc2nnc(C)n2C)cc1Cl 421377 SJGHIMKZWKTCCJ-UHFFFAOYSA-N 310.810 2.816 0 50 DFAA COCCNCCOCCOc1ccc(C(C)(C)C)cc1C 3000685 GWJYDIVRKYDWOS-UHFFFAOYSA-N 309.450 2.924 0 50 DFAA CN1CCC[C@H]1c1ccc(C(=O)NCC2CCOCC2)s1 23251220 LXLIJWWWAYVJLM-ZDUSSCGKSA-N 308.447 2.671 0 50 DFAA C/C=C/C=C/C(=O)N1C(=O)C(=O)c2cc(Br)ccc21 4832808 DVAAKCDJJQBYNV-MQQKCMAXSA-N 320.142 2.637 0 50 DFAA NC(=O)C1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 6667472 WTXDRKKXTYJTMP-UHFFFAOYSA-N 306.409 2.955 0 50 DFAA CCN1C(=O)/C(=C2/C=CC=CN2C)N(c2ccccc2)C1=S 100302846 SYOFYJBFMAJQFG-CCEZHUSRSA-N 311.410 2.867 0 50 DFAA Cc1ccccc1CN1CC[C@@H](CNC(=O)Cc2cccnc2)C1 67947767 RGAMIUBDVOQBIY-SFHVURJKSA-N 323.440 2.571 0 50 DFAA CCOc1ccc2[nH]c(=O)c(CN3C[C@H](C)O[C@H](C)C3)cc2c1 67833591 ULLAXOBNKCNRIW-BETUJISGSA-N 316.401 2.536 0 50 DFAA CCC(=O)Nc1ccc(OCC(=O)N2CC=C[C@H]2CC)cc1 65407444 RPXVSPHDCSCJTA-CQSZACIVSA-N 302.374 2.591 0 50 DFAA COc1cccc(Cn2c(-c3sccc3C)n[nH]c2=O)c1 65427512 HMUGCFNREXHKHT-UHFFFAOYSA-N 301.371 2.665 0 50 DFAA C[C@@H]1C[C@H](NC[C@H](c2ccco2)N2CCCC2)CN1C1CC1 230174779 LVJHWRDJJGFDJF-HLLBOEOZSA-N 303.450 2.631 0 50 DFAA O=C(Nc1cccc(-n2cccc2)c1)N1CCN2CCC[C@@H]2C1 252533049 FUBXWAQQQCMPIZ-QGZVFWFLSA-N 310.401 2.789 0 50 DFAA O=C(CC(=O)N1CCc2ccccc21)N1CCc2ccccc21 3027921 PHEUSRFARQHWGC-UHFFFAOYSA-N 306.365 2.555 0 50 DFAA in-vitro F[C@H]1C[C@@H](CNC/C=C/c2ccccc2)N(c2cccnn2)C1 328631579 KRROVLLLXQRYEI-ALOLOFKDSA-N 312.392 2.696 0 50 DFAA O=C(NCCc1ccccc1)c1ccc(Cn2ccnc2)cc1 32912960 MSIBXYBHNXYHKQ-UHFFFAOYSA-N 305.381 2.904 0 50 DFAA CC(C)CCN1C[C@@]2(CCCN(Cc3ncc[nH]3)C2)CCC1=O 77298957 POFCZYXDADTASW-SFHVURJKSA-N 318.465 2.660 0 50 DFAA CC(C)(O)CN(C(=O)Nc1ccc(C(F)(F)F)nc1)C1CC1 332111719 FJVBEOREBQKTQR-UHFFFAOYSA-N 317.311 2.868 0 50 DFAA O=C(Nc1cnn(CC2CC2)c1)[C@@H]1C[C@]12CCOc1ccccc12 253430507 JPRVTVRFHKCJMH-LPHOPBHVSA-N 323.396 2.972 0 50 DFAA COC(=O)[C@H](CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 71769247 IIWOWYLMCKOVFI-CQSZACIVSA-N 312.321 2.945 0 50 DFAA CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cscc2C)C1 124303429 QBTIXEQMFORUCZ-LBPRGKRZSA-N 309.435 2.827 0 50 DFAA CC(C)N(CC(F)(F)F)C(=O)CN(C#N)c1cccc(F)c1 435663714 OYSFELIXRSQUEC-UHFFFAOYSA-N 317.286 2.912 0 50 DFAA C[C@H]1COCCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 363446059 FXEJTWLGUOFCDY-OAHLLOKOSA-N 302.418 2.785 0 50 DFAA O=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1c1cccc(F)c1 77471423 OMBQSCLCUDKZAO-HNNXBMFYSA-N 300.333 2.881 0 50 DFAA C[C@@]12CC3CC(NC(=O)c4ccc(O)nn4)(C1)C[C@](C)(C3)C2 36646334 QLFWPNKMJVYMCT-ZSAFCYILSA-N 301.390 2.661 0 50 DFAA CC1(C)C(CNC(=O)Nc2cccc3c2CCNC3=O)C1(C)C 333388948 ONAAIWRBVILKIX-UHFFFAOYSA-N 315.417 2.776 0 50 DFAA COC(=O)N1CCC(Sc2ncnc3ccccc23)CC1 39046925 BPNSIOLKDUUSLA-UHFFFAOYSA-N 303.387 2.953 0 50 DFAA COCc1nc(N(C)C/C=C/c2ccccc2)c2cnn(C)c2n1 72128309 XZZKFKOUIJPDRZ-JXMROGBWSA-N 323.400 2.659 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1O 72117375 CXVFHRILQQIYJB-CQDKDKBSSA-N 311.809 2.869 0 50 DFAA C[C@H](C1CCN(Cc2cc(CN(C)C)cs2)CC1)N(C)C 77356554 LUOCLSXIBBKZRZ-CQSZACIVSA-N 309.523 2.972 0 50 DFAA O=C(c1cccc(-n2cccn2)c1)N1CC(c2cccnc2)C1 77407307 FAFQOQQXKZDRIV-UHFFFAOYSA-N 304.353 2.507 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCC2(CCNCC2)CC1 72125398 VNFPHQBPLYKXRH-UHFFFAOYSA-N 310.873 2.602 0 50 DFAA O=C(c1c[nH]c(=O)[nH]1)N1CCCCC[C@H]1c1cccc(F)c1 222798378 INOWKMGEMJCZBU-AWEZNQCLSA-N 303.337 2.600 0 50 DFAA O=C(NCCCc1ccccn1)C1(N2CCCC2)CCCC1 222772034 NPVJGRSAYADPKK-UHFFFAOYSA-N 301.434 2.539 0 50 DFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)on2)C12CCC2 178127166 IQEZMTPNFCCYQP-CABCVRRESA-N 304.390 2.972 0 50 DFAA CCN1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 19352219 LSYRSEYAPVDKTB-UHFFFAOYSA-N 300.402 2.547 0 50 DFAA biogenic Cc1cc2ccccc2n1CCNC(=O)N(C)C[C@H]1CCOC1 426361825 RLWBEVGQRSFHKM-OAHLLOKOSA-N 315.417 2.628 0 50 DFAA Nc1nc(N2CCN(c3ccccc3F)CC2)nc2ccccc12 41146425 DDUVNXNRGGVYJM-UHFFFAOYSA-N 323.375 2.678 0 50 DFAA CCN1CCC[C@H]1Cn1ccc2c(OC)c(OC)ccc2c1=O 95382078 JDFKCXMWTNSZDK-ZDUSSCGKSA-N 316.401 2.503 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)c2ccc3nc(C)c(C)nc3c2)[nH]n1 95389265 NENPUOAEZQREMJ-JTQLQIEISA-N 323.400 2.639 0 50 DFAA Cc1nc[nH]c1CN1CCN(c2nsc3ccccc23)CC1 97370265 FFPLAQGFKKXAJX-UHFFFAOYSA-N 313.430 2.650 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(-c3cc[nH]n3)cc2)n1 95363696 ZGJAUOJVDYGBKX-ZDUSSCGKSA-N 323.400 2.709 0 50 DFAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)C[C@@H]1CCCN1C 97743267 VIMXZMHDXCNUTD-HNNXBMFYSA-N 306.454 2.524 0 50 DFAA CC(=O)Nc1nc(CN2CCC[C@@H]2c2cccn2C)cs1 181081357 IEQQDZAKFSMCMK-CQSZACIVSA-N 304.419 2.777 0 50 DFAA Cc1cccc(CN2C[C@H](CO)[C@H](CN3CCCCC3)C2)c1 91365260 WLJZMIXGECUOSY-RTBURBONSA-N 302.462 2.521 0 50 DFAA O=C(NCCCc1ccccn1)c1cccc(Cn2cccn2)c1 91793284 MEIZBKOFRVITAF-UHFFFAOYSA-N 320.396 2.689 0 50 DFAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CC(O)(CC)C1 622586759 KNNHWLHFLPGDIY-OAHLLOKOSA-N 305.418 2.951 0 50 DFAA Cn1cccc1C(=O)C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 355010817 CTLSHWYZZWLQSN-OAHLLOKOSA-N 310.397 2.860 0 50 DFAA CCCn1ccnc1CNC(=O)c1cc2cc(F)ccc2n1C 534642783 RRZJZXHHDRDMSD-UHFFFAOYSA-N 314.364 2.854 0 50 DFAA COCc1cccc(C(=O)NCc2nc(C(C)(C)C)cs2)n1 299770062 OPMKZJLLCNASEY-UHFFFAOYSA-N 319.430 2.912 0 50 DFAA CCC[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1nccn1C 299792994 HLFVBFVPWFHWLB-GFCCVEGCSA-N 323.828 2.544 0 50 DFAA Cc1nc(CNC(=O)Nc2cncc(F)c2)nc2c1CCCC2 299795869 MVXQVFHHDLOWIO-UHFFFAOYSA-N 315.352 2.520 0 50 DFAA O=C1NCC2(CCN(C(=O)c3csc4ccccc34)CC2)O1 584902634 LOZTVFWRHJQJOR-UHFFFAOYSA-N 316.382 2.616 0 50 DFAA C[C@@H](c1ncc(Br)cn1)S(=O)(=O)C(C)(C)C 585136560 KRDIXQWYCRQNOV-ZETCQYMHSA-N 307.213 2.513 0 50 DFAA CCc1noc(CN(C)Cc2ccc3cccc(F)c3n2)n1 670445205 CBQDREKRRTYHLW-UHFFFAOYSA-N 300.337 2.951 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 269287181 SOVOQGJWXDKOFM-ASEORRQLSA-N 308.372 2.654 0 50 DFAA C=CC(=O)NCCC(=O)N1CCC(C)(c2ccc(C)cc2)CC1 1875296979 XKLDIQGHABVEIU-UHFFFAOYSA-N 314.429 2.567 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(C)C[C@H]3CC[C@H]2O3)[nH]1 1875266402 FVUMNIZAZLNKNY-MZMPZRCHSA-N 310.401 2.638 0 50 DFAA F[C@]1(c2ccccc2)C[C@H]1Nc1ncnc2c1nnn2C1CC1 1875392325 UBWFGGGLLKQSHY-WBMJQRKESA-N 310.336 2.605 0 50 DFAA CC[C@@H]1C=CCN1S(=O)(=O)c1cc(Cl)ccc1OC 952984946 DALOTRPOOVTDNL-LLVKDONJSA-N 301.795 2.688 0 50 DFAA Cc1cccc2ncc(C(=O)N[C@@H](c3cnn(C)c3)C(C)C)n12 885417373 ODOSYESQAZVUEE-MRXNPFEDSA-N 311.389 2.503 0 50 DFAA CCO[C@@H](C(=O)NCCc1ncc(-c2ccccc2)[nH]1)C(C)C 1419409458 LFOMTBBZRVVXFY-QGZVFWFLSA-N 315.417 2.797 0 50 DFAA CC[C@@H](Oc1ccccc1C)C(=O)Nc1n[nH]c2c1COCC2 899253514 JQJKJTNYEBODGM-CQSZACIVSA-N 315.373 2.587 0 50 DFAA Cc1nc(CN2CC[C@H](NC3CCCCCC3)[C@@H](O)C2)cs1 1565514043 IOMLJQPDPQPZCV-IRXDYDNUSA-N 323.506 2.699 0 50 DFAA CCc1ccc([C@H](CO)NC2CCC3(CC2)OCCO3)cc1 170081342 GHWPXXHFOCLHHM-KRWDZBQOSA-N 305.418 2.558 0 50 DFAA Cc1c(C(=O)Nc2[nH]c(=O)ncc2F)cccc1-c1ccccn1 170605922 KBTXBAKQXYRZLD-UHFFFAOYSA-N 324.315 2.532 0 50 DFAA C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(O)c(C(=O)O)c2)C1 633138606 QSBJUTQBQHTHTE-JQWIXIFHSA-N 307.346 2.624 0 50 DFAA Cc1nc([C@@H]2CCN(Cc3cnc(C)n3-c3ccccc3)C2)n[nH]1 585116593 BXOZJMVHZIBETE-OAHLLOKOSA-N 322.416 2.597 0 50 DFAA Cc1nc(C)n(C2CN(C(=O)c3cccc(C(F)F)c3)C2)n1 647673003 DGEXEZZSNOVQLU-UHFFFAOYSA-N 306.316 2.530 0 50 DFAA CC[C@@H](NC1CSCCSC1)c1cn2cccnc2n1 1506402877 QDEABTKLXFMUDC-GFCCVEGCSA-N 308.476 2.619 0 50 DFAA CCn1ccc(CN2CCCN(c3ccc(F)cc3)CC2)n1 1506396732 NAKKGCAHLWWUNJ-UHFFFAOYSA-N 302.397 2.754 0 50 DFAA CC1=CC2(CCN(C(=O)c3cnc(O)c(Cl)c3)CC2)OCC1 1704335627 CJSDSUUFTPZHMS-UHFFFAOYSA-N 322.792 2.782 0 50 DFAA CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2)n2ncnc2N1 17832001 VUJDZDJISKXGRH-MRXNPFEDSA-N 323.400 2.580 0 50 DFAA Cc1ccc2ncnc(N3CC(c4nc5ccccc5[nH]4)C3)c2n1 1857675609 AXQNOWZXBQOPOD-UHFFFAOYSA-N 316.368 2.813 0 50 DFAA Cc1nc([C@H]2CCCCN2C(=O)c2ccoc2C2CC2)n[nH]1 408469307 CJZNFCYVZUCZHF-CYBMUJFWSA-N 300.362 2.951 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n[nH]1 331510165 FHQLWBNCCBMWKK-CZUORRHYSA-N 317.364 2.620 0 50 DFAA CC(C)[C@@H]1OCC[C@H]1C(=O)NCc1nccn1-c1ccccc1 252478067 ABXWTJBOWOQDCZ-WBVHZDCISA-N 313.401 2.550 0 50 DFAA O=C(c1cccnc1C(F)(F)F)N1CC[C@]2(CCCOC2)C1 375565810 PVMRFFYUIJCPRL-CQSZACIVSA-N 314.307 2.743 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(F)c1F 901576260 YEONZBKNKUUYDL-NSHDSACASA-N 311.328 2.990 0 50 DFAA CCc1occc1C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1262630142 SAEUKNUSUZEDEZ-QGZVFWFLSA-N 322.368 2.748 0 50 DFAA COc1cc(F)c([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c(F)c1 1857778152 HJULLLAFAPMEFU-LLVKDONJSA-N 317.288 2.624 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 864917398 IRSAMZMANPBBKZ-CVEARBPZSA-N 314.385 2.595 0 50 DFAA O=C(O)C1CCN(C(=O)c2cc3ccccc3cc2F)CC1 901428989 HGFPBXOJPYKTTM-UHFFFAOYSA-N 301.317 2.916 0 50 DFAA OCc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1F 245339510 UDBZXLLVWKPOAW-DJIMGWMZSA-N 305.393 2.755 0 50 DFAA COC(=O)c1cccc(NC(=O)c2c(OC)cccc2OC)c1 48272 FSUMVITZERSTFU-UHFFFAOYSA-N 315.325 2.743 0 50 DFAA COc1cccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)c1 367658 DCVZQYATKQILBF-UHFFFAOYSA-N 311.293 2.789 0 50 DFAA O=C(NN1CCOCC1)c1sc2cccc(F)c2c1Cl 1054605 NRXSYNMDOZXGQH-UHFFFAOYSA-N 314.769 2.671 0 50 DFAA CCOc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)cc1 2696517 HKFCRQTUIVOMQT-UHFFFAOYSA-N 315.373 2.958 0 50 DFAA CCNC(=O)C(C)(C)CNc1ncc(F)c(-c2ccsc2)n1 418887674 NCOLJCHUABWIRQ-UHFFFAOYSA-N 322.409 2.918 0 50 DFAA Cc1ncc(CN[C@@H]2CCCN(CC3CCCCC3)C2)n1C 22914184 RLAIRVAIJBCDDW-QGZVFWFLSA-N 304.482 2.863 0 50 DFAA CC[C@@H]1COCCN1C(=O)Cc1cccc(C(F)(F)F)c1 115305570 ADAQACDCBXHKQG-CYBMUJFWSA-N 301.308 2.885 0 50 DFAA CCN(CCN(C)C)Cc1cnc2c(-c3ccccc3)cnn2c1 67919990 QEQYOPSNAJHKAC-UHFFFAOYSA-N 323.444 2.780 0 50 DFAA Cn1cc(-c2n[nH]cc2C(=O)Nc2ccc3[nH]ccc3c2)cn1 435936752 ASQXJGAGQPAHDT-UHFFFAOYSA-N 306.329 2.544 0 50 DFAA COc1ccc(NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 229636157 DCWHGDATGBPTRG-KGLIPLIRSA-N 305.422 2.937 0 50 DFAA O=C(Nc1ccc(F)cc1)c1cn2c3c(cccc3c1=O)CC2 33088740 AUBMQCKPYAAYID-UHFFFAOYSA-N 308.312 2.949 0 50 DFAA O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 403566 FSVJFNAIGNNGKK-QGZVFWFLSA-N 312.413 2.535 0 50 DFAA biogenic,fda FCCn1ncnc1CN1CCC[C@H]1/C=C/c1ccccc1 253426049 FNLZAACWPRIFAG-FDMDGMSGSA-N 300.381 2.925 0 50 DFAA O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1ccc2c(c1)OCO2 4356445 DUKKSZLDZDKYFL-HUUCEWRRSA-N 317.385 2.837 0 50 DFAA biogenic CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cscn1 77425737 CIHGACOECSHMFD-UHFFFAOYSA-N 316.361 2.740 0 50 DFAA Cn1cnnc1[C@H]1CN([C@@H]2CCc3c(Cl)cccc32)CCO1 328646951 SYDKISMUZUMCJQ-HUUCEWRRSA-N 318.808 2.529 0 50 DFAA O=C(CCc1c[nH]c2ccccc12)NCc1ccc2nonc2c1 219573111 PHJJPLRDAZNGBH-UHFFFAOYSA-N 320.352 2.953 0 50 DFAA Cc1nc(C)n(CCCNC(=O)C23CC4CC(CC(C4)C2)C3)n1 219737922 SQLWIUMFQVEFQG-UHFFFAOYSA-N 316.449 2.618 0 50 DFAA Nc1nc(N[C@@H]2CC[C@@H](N)C2)cc(Sc2ccc(F)cc2)n1 71751566 MQWRYZUVOIOJKQ-GHMZBOCLSA-N 319.409 2.641 0 50 DFAA CC(C)c1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)on1 262190096 NGJOKFWTACFMJF-CYBMUJFWSA-N 314.341 2.622 0 50 DFAA Cc1ccc2cc(CN3CCC[C@H]3Cn3cncn3)ccc2n1 373690513 VXSRSQMUNNNCFK-KRWDZBQOSA-N 307.401 2.799 0 50 DFAA O=C(c1cccc2c1NCCC2)N1CCO[C@@H]2CCCC[C@H]21 71747194 LGNRDMURHOZTMO-HZPDHXFCSA-N 300.402 2.828 0 50 DFAA CCNc1ncc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cn1 71416148 NSMTZLGYVLKJKK-UHFFFAOYSA-N 323.400 2.937 0 50 DFAA NC(=O)c1cccc(NC2CCN(Cc3ccccc3)CC2)c1 237774366 BORYRCAPPVSJKD-UHFFFAOYSA-N 309.413 2.862 0 50 DFAA C[C@@H]1CN(C(=O)CCC2CCOCC2)c2ccccc2NC1=O 175219535 DASIDOOQJNZLLC-CYBMUJFWSA-N 316.401 2.815 0 50 DFAA COc1cccc([C@@H](O)C(C)(C)NC(=O)Cc2ccccc2)c1 44126151 ZSWPAIDKBOLHPO-GOSISDBHSA-N 313.397 2.866 0 50 DFAA COc1cc2c(cc1OC)CCN(C(=O)N1CC[C@@H](C)C1)CC2 336902701 CHRNEVQNHXYGAP-CYBMUJFWSA-N 318.417 2.566 0 50 DFAA CCC1(C)CN(C(=O)c2cnn(Cc3ccc(OC)cc3)c2)C1 291130928 WFAIAUUUNCBCAZ-UHFFFAOYSA-N 313.401 2.812 0 50 DFAA CC[C@@H](NC(=O)C1(c2ccc(OC)cc2)CC1)c1cnn(C)c1 220662035 VDBFQANWLDVHRH-MRXNPFEDSA-N 313.401 2.728 0 50 DFAA Cc1n[nH]c2c1[C@H](c1ccccc1Br)CC(=O)N2 46016713 OWWMDDMSKFRXHX-VIFPVBQESA-N 306.163 2.955 0 50 DFAA CC[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ncc(C)[nH]1 426368266 JJQCTTMFTXVHGA-OAHLLOKOSA-N 300.406 2.661 0 50 DFAA CN(CCC[C@H]1CCCO1)C(=O)NCCc1ccc(F)cc1 426595110 WXIJIFQEJFHVJF-INIZCTEOSA-N 308.397 2.969 0 50 DFAA Cc1nc2ccc(C(=O)N3CC(c4ccccn4)C3)cc2nc1C 95518192 UVHGLDMLWRDINI-UHFFFAOYSA-N 318.380 2.881 0 50 DFAA COCC1(NC(=O)Nc2cccc(-n3cccn3)c2)CCCC1 96141677 NTNHUPCTLHSYQT-UHFFFAOYSA-N 314.389 2.953 0 50 DFAA Cc1ccc(-c2noc(CCCN3CCCCCC3)n2)nn1 95502802 QAUFVBYDVHGRMA-UHFFFAOYSA-N 301.394 2.644 0 50 DFAA Cc1ccc(CN(C)CC(=O)N(C)C2CCSCC2)cc1 244795054 QYQWBMHRWWEDIN-UHFFFAOYSA-N 306.475 2.781 0 50 DFAA C[C@@H](NCCCN1C(=O)c2ccccc2C1=O)c1cccc(O)c1 181486898 UTZQGBLQCVLBBJ-CYBMUJFWSA-N 324.380 2.729 0 50 DFAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cccc2[nH]ncc12 299745375 YLYVIGBXQUDRDL-DLBZAZTESA-N 322.368 2.608 0 50 DFAA C[C@@H](NC(=O)N1CCN(c2cccnc2)CC1)c1ccsc1 534635551 CZUKVJFBXPKBGH-CYBMUJFWSA-N 316.430 2.736 0 50 DFAA Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](O)C3)c2)nc1C 534651176 LJXJSKBNMOKFBK-KRWDZBQOSA-N 310.397 2.962 0 50 DFAA COc1cccc(C)c1C(=O)NCCc1nc2ccccc2n1C 824795706 QULRBLZMMWYHQX-UHFFFAOYSA-N 323.396 2.863 0 50 DFAA Cc1nnsc1[C@@H](C)NCCc1cn2c(C)cccc2n1 1875284797 NANTWRDWDBVQSM-LLVKDONJSA-N 301.419 2.696 0 50 DFAA Cn1ccc2ccc(C(=O)N3CCCC[C@@H]3CC(=O)O)cc21 630159212 WUXGAOARYLMRHZ-CQSZACIVSA-N 300.358 2.648 0 50 DFAA Cc1nn(C)c(C)c1C(=O)N1CCN(C2CC2)c2ccccc21 186794276 QCGRQYWKEVBNMO-UHFFFAOYSA-N 310.401 2.666 0 50 DFAA CCn1nc(C)c(NC(=O)/C=C/c2ccc(OC)c(O)c2)c1C 170599151 NHLQUIXXEXVNFA-VQHVLOKHSA-N 315.373 2.886 0 50 DFAA CCc1cc(C(=O)N(Cc2cccc(F)c2)C2CC2)n(C)n1 635229328 NDOJHEULHNSQPT-UHFFFAOYSA-N 301.365 2.926 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1cn2ccnc2s1 188526764 AWMDBWNCJNHBQH-NEPJUHHUSA-N 307.419 2.719 0 50 DFAA O=C(NCC1CCc2ccccc2CC1)[C@H]1CC12CCNCC2 638456746 NJEGSXAZOYCSSA-GOSISDBHSA-N 312.457 2.688 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(Oc2ncccn2)cc1 190068775 IXVRRJPEIYOZLX-UHFFFAOYSA-N 323.356 2.790 0 50 DFAA C[C@H](O)C1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194275879 WWOHKGFRHAGPMG-JTQLQIEISA-N 305.403 2.921 0 50 DFAA CC[C@@H](C)n1nc(C)cc1NC(=O)Cn1nc2ccccc2n1 1529119878 NLAVINHBWDUPKY-GFCCVEGCSA-N 312.377 2.546 0 50 DFAA Cc1[nH]c(N)nc1C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 1772805704 PUXDYCSWEDIZQJ-LBPRGKRZSA-N 301.394 2.603 0 50 DFAA CSCC(=O)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 11783983 HIAXFXNXFACKFQ-AWEZNQCLSA-N 314.410 2.531 0 50 DFAA CCC(=O)N(C)C[C@H]1CCCN(CCc2ccc(OC)cc2)C1 12577868 JLVCBZAOZZHNMQ-QGZVFWFLSA-N 318.461 2.818 0 50 DFAA CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 13744498 WHUVLMAVFFXULN-ZDUSSCGKSA-N 324.446 2.844 0 50 DFAA CCC(CC)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 15083985 RGZIXQJUFHMPKM-UHFFFAOYSA-N 320.408 2.983 0 50 DFAA COc1ccccc1N1CCN(C2Cc3ccccc3C2)CC1 16663196 GAXWTMWUFMXDLK-UHFFFAOYSA-N 308.425 2.985 0 50 DFAA COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1OC 4526196 ITVFZVYVMHWJAY-QINSGFPZSA-N 311.337 2.639 0 50 DFAA Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2ccc(C)c(F)c2)on1 600922088 AWLIWFMUVKPNPT-SAHAZLINSA-N 324.377 2.706 0 50 DFAA Cc1ncc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)[nH]1 328640929 XQBHKUPWIMMFKV-LLVKDONJSA-N 304.419 2.675 0 50 DFAA Cc1ccc(C)c([C@@H]2CN(C(=O)C3CCNCC3)[C@@H](C)CO2)c1 237703534 GJRSARRCJWRNBP-YJBOKZPZSA-N 316.445 2.591 0 50 DFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 252001778 MRHHARHLKYVQDK-CVEARBPZSA-N 317.433 2.514 0 50 DFAA CCc1n[nH]cc1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 674736588 KPBCUSXYDIYIGE-UHFFFAOYSA-N 305.328 2.565 0 50 DFAA COCCOC1CCN(c2ccnc(-c3ccccc3)n2)CC1 265331939 MLRKJKNRQDIHJA-UHFFFAOYSA-N 313.401 2.775 0 50 DFAA CCc1ccccc1[C@H](CC(=O)O)NC(=O)N1CC=CCC1 2325794773 QPVITFMZQSPZPW-HNNXBMFYSA-N 302.374 2.736 0 50 DFAA NCc1ccoc1C(=O)N[C@@H]1CCO[C@@H](c2cccc(F)c2)C1 2325799370 QSFNEKCAKCELCK-HUUCEWRRSA-N 318.348 2.528 0 50 DFAA Cc1ccc(CCCC(=O)N2CC([C@@H]3C[C@H]3C(=O)O)C2)cc1C 2325812743 DPVACVCJIHLJJM-DLBZAZTESA-N 315.413 2.805 0 50 DFAA CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 307019 OZEFZSGYWUYGDW-UHFFFAOYSA-N 315.300 2.824 0 50 DFAA CCN(CC)CCc1nnc(NC(=O)c2ccccc2)s1 4940060 MXAOYNAKVFBWJF-UHFFFAOYSA-N 304.419 2.675 0 50 DFAA O=C(NCCc1ccccc1)[C@@H]1CC(c2ccccc2F)=NO1 6738464 LXYVAGXDTYPRHI-KRWDZBQOSA-N 312.344 2.678 0 50 DFAA CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccn1 7504690 VAGSACKPJUARSK-INIZCTEOSA-N 300.358 2.564 0 50 DFAA Cc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)c(C)c1 8240533 MZCWXEXKBXQQOQ-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA CCCC(=O)Nc1cccc(NC(=S)NC(=O)C2CC2)c1 9230104 NIOSZRDSUPKARC-UHFFFAOYSA-N 305.403 2.648 0 50 DFAA Fc1ccccc1CN1CCC[C@H](NCCCn2cccn2)C1 20450389 VMFKXCABEUUQKM-KRWDZBQOSA-N 316.424 2.667 0 50 DFAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(-c2ccco2)cc1 252500314 SRYRSEYFTLQEGZ-XHDPSFHLSA-N 313.357 2.593 0 50 DFAA CC(C)Cn1ccnc1-c1ccc(OCC(N)=O)c(Cl)c1 67842755 VWXVGMPLMRUYLQ-UHFFFAOYSA-N 307.781 2.724 0 50 DFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 215330 SPKTYROISMAOCH-SJORKVTESA-N 311.381 2.969 0 50 DFAA Cc1cc(C)n(C(=O)[C@@H](C)n2cc(Br)c(C)n2)n1 2776649 LEXYCUYZQKHWEU-SNVBAGLBSA-N 311.183 2.669 0 50 DFAA COc1cc([C@H](C)NCc2ccccn2)cc(OC)c1OC 127257642 JDMTZEAXMZINSF-LBPRGKRZSA-N 302.374 2.958 0 50 DFAA CC(C)(O)CN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 365280787 PKKRHFXWJQQOSG-QGZVFWFLSA-N 322.493 2.651 0 50 DFAA CN(C(=O)CC[C@H]1CCCOC1)c1nc2ccccc2n1C 120360261 YEZGXJJRMUCJPO-CYBMUJFWSA-N 301.390 2.743 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(=O)cc(C)o1 215554651 YFGZWHHSLUEXTM-HNNXBMFYSA-N 313.353 2.934 0 50 DFAA Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@H]4CNC[C@H]43)c2c1 77425039 AVHALKCGOSAZLK-WMLDXEAASA-N 309.413 2.594 0 50 DFAA CC(C)[C@H]1CN(CCCO)CCCN1Cc1ccc(F)cc1 71747550 RLBYINXSCCPVAY-GOSISDBHSA-N 308.441 2.740 0 50 DFAA COc1ccccc1C(=O)[C@@H]1CCCN(c2ccnc(C)n2)C1 71711985 SLQOWDUJROZHEW-CQSZACIVSA-N 311.385 2.893 0 50 DFAA CSCCN1CCN(Cc2ccc([C@@H](C)N(C)C)cc2)CC1 215842029 HUMCUICVSVLAIV-MRXNPFEDSA-N 321.534 2.790 0 50 DFAA O=C(c1ccc[n+]([O-])c1)N1CCC[C@H](c2ccc(F)cc2)CC1 378497346 QTBIKAAVDOMZIF-AWEZNQCLSA-N 314.360 2.869 0 50 DFAA COC[C@@H]1CN(c2ncnc3cccc(C)c23)CC(C)(C)O1 285098875 QMONTFXTSZEMCW-ZDUSSCGKSA-N 301.390 2.568 0 50 DFAA Cc1ccc2c(C)c(C(=O)N(C)C[C@@H]3COCCO3)oc2c1C 77301357 RREOWBAWLXSTRU-CQSZACIVSA-N 317.385 2.845 0 50 DFAA C[C@H](CCN1CCC(n2cc(CCO)nn2)CC1)CC(C)(C)C 48063507 KJUYQLBGBXSMDL-OAHLLOKOSA-N 322.497 2.912 0 50 DFAA COc1cccc(N2CCN(C(=O)[C@@]3(C)C[C@@H]4C[C@@H]4C3)CC2)c1 338558130 LIFSDRYHHUGDRD-CCWDJLKJSA-N 314.429 2.780 0 50 DFAA NC[C@@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 178523682 DFVMIPXJRPMPFJ-HNNXBMFYSA-N 310.397 2.540 0 50 DFAA CSCc1nc([C@H]2CN(Cc3ccccc3)CCO2)no1 20858270 BINLWYYEAFWCJX-CYBMUJFWSA-N 305.403 2.506 0 50 DFAA Cc1cc(-n2nc(C)nc2Cc2ccc(N(C)C)cc2)ccn1 97654037 YUEFWZBCGAVTGW-UHFFFAOYSA-N 307.401 2.936 0 50 DFAA Cc1cc(=O)c2ccccc2n1CC(=O)N1C[C@@H]2CCC[C@H]1C2 95524606 XISGVRXTJIPRGA-CABCVRRESA-N 310.397 2.711 0 50 DFAA CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2Cl)C1 91663944 GSKNLSSNVNOSAA-AWEZNQCLSA-N 317.838 2.513 0 50 DFAA COCC(C)(C)C(=O)NC[C@H](c1ccccc1F)N1CCCC1 97514313 ZAHNMIAGYQRZSR-MRXNPFEDSA-N 322.424 2.751 0 50 DFAA CC(=O)N[C@H]1CCN(C(=O)Nc2c(C)ccc(Cl)c2C)C1 96131856 NTSZPOLHLRWAFJ-LBPRGKRZSA-N 309.797 2.699 0 50 DFAA Cc1c(CNC(=O)COC[C@@H]2CCCCO2)oc2ccccc12 244626615 FPGUAPAJLLUUKP-AWEZNQCLSA-N 317.385 2.943 0 50 DFAA CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H](CN)C1 299739528 PSBOWVZTYPMRRE-GOEBONIOSA-N 304.434 2.775 0 50 DFAA Cn1ccnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 117179936 QJSNIPZXORSIFZ-UHFFFAOYSA-N 319.792 2.757 0 50 DFAA Cc1noc(C)c1CCC(=O)N1CC(OCc2ccccc2)C1 299779756 INUPFDKLYLKEQA-UHFFFAOYSA-N 314.385 2.652 0 50 DFAA COCCn1cnnc1[C@H](C)NCc1c(C)cc(C)cc1C 952868609 DDOFIVVZRYAUDF-HNNXBMFYSA-N 302.422 2.701 0 50 DFAA COC[C@H](C)NCc1cc(OC)c(OC)cc1Br 4685540 WBXAMWCECGIKIV-VIFPVBQESA-N 318.211 2.591 0 50 DFAA CCn1cncc1[C@@H]1CCCCN1C(=O)NC[C@]1(C)CCCO1 1775990316 LNCJNORLPPAEFA-YOEHRIQHSA-N 320.437 2.709 0 50 DFAA CCS(=O)(=O)c1ccccc1N(C)CCc1ccncc1 276261721 FUBQCGQASBNGFG-UHFFFAOYSA-N 304.415 2.554 0 50 DFAA Cc1n[nH]cc1CNC(=O)N1CCc2cc(Cl)ccc2C1 170610971 RHGHIDVDWSFYDZ-UHFFFAOYSA-N 304.781 2.639 0 50 DFAA COC(=O)c1ncn(CCc2cc(Cl)cc(Cl)c2)n1 194605381 NQJGPLCMRCTZOF-UHFFFAOYSA-N 300.145 2.614 0 50 DFAA O[C@@H](c1ccc(F)cc1)c1nccn1CCO[C@@H]1CCCCO1 194723199 PNTUTXUXSMRQNW-CVEARBPZSA-N 320.364 2.647 0 50 DFAA C[C@@H](N)[C@H]1CCN(C(=O)c2ccc(Nc3cccnc3)cc2)C1 659306229 MRUKSWFKDNDADI-HIFRSBDPSA-N 310.401 2.635 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1nc(-c2ccco2)no1 1506398275 AVNNAABDWVUCRA-ZDUSSCGKSA-N 314.345 2.544 0 50 DFAA Cc1cccn2ncc(C(=O)NCCCOC3CCCC3)c12 1772700754 DXKPQJOIRJOZTK-UHFFFAOYSA-N 301.390 2.722 0 50 DFAA CCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 5126713 BAFQCZXORSBGIF-UHFFFAOYSA-N 303.383 2.837 0 50 DFAA CCCCN(C)C(=O)[C@H]1CC(Cc2cccc(OC)c2)=NO1 12183683 RGJKKFATIKRARJ-MRXNPFEDSA-N 304.390 2.641 0 50 DFAA COCOc1cccc(C(=O)c2ccccc2OCOC)c1 19087685 XLPHWRBBAFKJIL-UHFFFAOYSA-N 302.326 2.883 0 50 DFAA COCOc1ccc(C(=O)c2ccccc2OCOC)cc1 19087690 RHAWLOFJURLKMZ-UHFFFAOYSA-N 302.326 2.883 0 50 DFAA Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2ccc(C)c(F)c2)on1 600922087 AWLIWFMUVKPNPT-RKFFSXRUSA-N 324.377 2.706 0 50 DFAA O=C(c1cc2ccccc2o1)N1CCC[C@@H](Cn2ccnn2)C1 125084476 XOXYFADQOHASQE-CYBMUJFWSA-N 310.357 2.577 0 50 DFAA C[C@H](NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1)C1CCOCC1 253371000 ZHXIMJSTYMFTMV-FNHZYXHNSA-N 316.445 2.611 0 50 DFAA C[C@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 20572463 XJQZFHHMHTUURG-QWRGUYRKSA-N 316.323 2.753 0 50 DFAA COC1(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)CCCCC1 367347721 MOMVWSHDQTWBBC-CQSZACIVSA-N 323.355 2.642 0 50 DFAA C[C@H](C(=O)O)c1cccc(NC(=O)c2cnn3c2CCCC3)c1 263351470 VQZVVEWGQSZJKP-NSHDSACASA-N 313.357 2.660 0 50 DFAA 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Cc1ccc(-c2noc([C@@H]3CNC[C@H]3c3cnn(C)c3C)n2)cc1 656558765 XUFFWPYAGSWHER-JKSUJKDBSA-N 323.400 2.558 0 50 DFAA Clc1ccc(N2CCCO[C@@H](CN3CCCCC3)C2)nc1 1506420829 BBEBBTWYILBPMN-HNNXBMFYSA-N 309.841 2.816 0 50 DFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccccc3C(=O)O)C[C@H]2C1 1529195720 ODTWTMJEYIIAAL-WNKDZCFJSA-N 316.445 2.935 0 50 DFAA O=C1CC[C@@H]2CN(C3CCCCCC3)CC[C@@H]2N1CCCCO 213133244 ZOOVTDOYZJHBNE-AEFFLSMTSA-N 322.493 2.795 0 50 DFAA CCCC[C@H]1CN(c2cc(C(N)=O)ccn2)C[C@@H](C(C)C)O1 1613881992 PPAGYSMYQRHWPO-GJZGRUSLSA-N 305.422 2.601 0 50 DFAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCCC3CCC(F)(F)CC3)C[C@@H]21 1615553608 HRYAELWGJOIQNL-RFQIPJPRSA-N 300.393 2.692 0 50 DFAA CC(=C\C(=O)O)/C(=C/c1ccc(Br)o1)C(=O)O 5004431 OYFRNRSXSAUPJE-NDWVUGOJSA-N 301.092 2.541 0 50 DFAA COC[C@H]1CCCN(Cc2nc(-c3ccc(OC)cc3)no2)C1 12075734 DHQGDBMTLVFTHE-ZDUSSCGKSA-N 317.389 2.604 0 50 DFAA CCc1cc2c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c2s1 17045982 FTRIBFHLIBCCPJ-UHFFFAOYSA-N 306.774 2.956 0 50 DFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)cc1 19237219 OHNLECUNSDFBQI-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA C[C@@H]1CCC[C@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 19831426 KUMRTRUSRFZJRG-SJORKVTESA-N 316.445 2.788 0 50 DFAA Cc1nc(O)c2c(n1)[C@@]1(CCCN(c3ccncc3F)C1)CC2 1857727072 KEGNZHZFWYZZDN-KRWDZBQOSA-N 314.364 2.509 0 50 DFAA C[C@@H](CNc1ncnc2c1ncn2C)c1ccc(F)cc1F 608095683 TUUCMBPRINARSH-VIFPVBQESA-N 303.316 2.857 0 50 DFAA O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1C[C@@H]2CCC[C@H](C1)C2O 241634562 PNLJWRQHWLTZRH-VDWCLKJHSA-N 306.450 2.758 0 50 DFAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1c(F)cccc1Cl 263479803 GBVPRKBTKAIBDH-VHSXEESVSA-N 313.756 2.733 0 50 DFAA O=S(=O)(c1cscc1C(F)F)N1CCc2ccncc21 903618428 JUNLQGJSLRRRLL-UHFFFAOYSA-N 316.354 2.832 0 50 DFAA CCn1cnc2c1CCN(C(=O)N[C@H]1CCc3ccccc31)C2 913966197 YKILSQISCQEJJZ-HNNXBMFYSA-N 310.401 2.658 0 50 DFAA c1ccc2oc(CSc3nnnn3[C@@H]3CCOC3)cc2c1 2325772732 WTCMTKLKLBXSKS-LLVKDONJSA-N 302.359 2.673 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 103788 QGRLIADDLJHMLU-MEBBXXQBSA-N 318.373 2.665 0 50 DFAA Cc1ccc(C[C@H]2C(=O)N(c3nc(C)cc(C)n3)C(=O)[C@@H]2C)cc1 612268 VNHPBAHRXUZUNO-GDBMZVCRSA-N 323.396 2.770 0 50 DFAA Cc1nc(N2CCN(C)CC2)c2c3c(sc2n1)CCCC3 2452468 GAHYHWFZCRIXAD-UHFFFAOYSA-N 302.447 2.630 0 50 DFAA c1cc(Nc2ccc(-n3cnnc3)nc2)cc(-n2cccn2)c1 2356148058 FPHFVJJECKLMSQ-UHFFFAOYSA-N 303.329 2.592 0 50 DFAA O=C(NCc1cccc2ncsc12)[C@@H]1Cc2ccccc2O1 2356159815 RGUKKRRQWPQGMG-HNNXBMFYSA-N 310.378 2.916 0 50 DFAA CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ccccc1 2857924 DTESANLGYTUAMU-GOSISDBHSA-N 324.424 2.800 0 50 DFAA CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCCC1 6726965 XKOKNSOCFZZCNS-UHFFFAOYSA-N 310.419 2.522 0 50 DFAA COc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 7504940 CBBSVCNLZDNXKI-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA COc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1F 8535083 ASGDTFCMGYZPKV-CYBMUJFWSA-N 319.376 2.884 0 50 DFAA CCOC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1C 225700180 ZKSNEOJBSWIXPD-VXGBXAGGSA-N 321.421 2.998 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(C(=O)O)CC1 55036528 VWPZJPAHGQAXGM-CYBMUJFWSA-N 319.401 2.902 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1/C(C)=C/c1ccccc1 9331958 PEONDIBDGXIWFJ-NKSUMMKUSA-N 300.358 2.608 0 50 DFAA NC(=O)c1cc(Br)cc(Br)c1Cl 20154659 KYDKACKCSSIVBD-UHFFFAOYSA-N 313.376 2.964 0 50 DFAA O=C(c1ccccc1O[C@@]12CCCN(CC1)C2)N1CCCC1 67458310 XRJCJNCWQKGMQC-SFHVURJKSA-N 300.402 2.540 0 50 DFAA CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 249764169 YEPIIIYXNUHLGP-AEGPPILISA-N 315.417 2.994 0 50 DFAA CCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](CC)c1ccccc1 151158494 SWUVBZGGUUJDFA-HUUCEWRRSA-N 312.417 2.985 0 50 DFAA CCC[C@H](NC(=O)N(C)C[C@@H]1CCC[C@H]1O)c1ccccn1 252511763 KJYKXRUGWXCDPC-CWRNSKLLSA-N 305.422 2.725 0 50 DFAA Cc1nc(-c2ccc(C(=O)N[C@@H]3CC[C@H](CN)C3)cc2)cs1 423747641 QNMONXKSCXRVCX-SWLSCSKDSA-N 315.442 2.976 0 50 DFAA CC(C)NC(=O)[C@H](C)N1CCO[C@@H](c2ccccc2Cl)C1 229577588 PSMCGUNTOQZASH-SWLSCSKDSA-N 310.825 2.626 0 50 DFAA O=C(c1ccc2[nH]ccc2c1)N(CCCO)Cc1ccccn1 358317900 ATWMYIXXWAFRGY-UHFFFAOYSA-N 309.369 2.588 0 50 DFAA CCc1cc(C(=O)N2N=C(C3CC3)C[C@@]2(O)C(F)F)cs1 204551 MQHBGNBQHOIMHY-CQSZACIVSA-N 314.357 2.876 0 50 DFAA COc1ccc(/C=C/S(=O)(=O)NCc2cccs2)cc1 1401988 ZLCCJQDMEHTUNZ-CSKARUKUSA-N 309.412 2.847 0 50 DFAA CCCn1c(SCC(=O)Nc2nccs2)nnc1C1CC1 6400302 NWYRXAHHRUZDSK-UHFFFAOYSA-N 323.447 2.753 0 50 DFAA Cc1ncsc1CCc1nn2c(CC(C)C)nnc2s1 71613808 BDXBPXXBHYYSBE-UHFFFAOYSA-N 307.448 2.934 0 50 DFAA C[C@](CO)(NC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 153255194 VQXIXAIAFDQILN-QGZVFWFLSA-N 320.389 2.868 0 50 DFAA CC(C)n1ncc2cc(CNC[C@@H]3CCCC[C@H]3O)cnc21 124259269 XRVZAUAWCKFOQM-GOEBONIOSA-N 302.422 2.653 0 50 DFAA c1ccc(CCCN2CCCN(C[C@@H]3CCCNC3)CC2)cc1 72454133 VGRWUKDHVGBNTC-HXUWFJFHSA-N 315.505 2.627 0 50 DFAA Cc1c([C@H]2CCCN2C(=O)Cc2c[nH]c3ncccc23)cnn1C 367284543 DRVBHSHVVRLHHC-MRXNPFEDSA-N 323.400 2.511 0 50 DFAA COc1ccc(F)cc1CNC1CCN(C(=O)C(C)(C)C)CC1 237171965 HLIWCDLHAAYOSG-UHFFFAOYSA-N 322.424 2.961 0 50 DFAA Oc1nc(/C=C/c2ccsc2)nc2c1cnn2-c1ncccn1 447036170 GCJSJQFTNCRPJX-NSCUHMNNSA-N 322.353 2.543 0 50 DFAA Cc1ccc2nc(C)c(C(=O)N3CC[C@@](C)(C(=O)O)C3)cc2c1 237898868 GKRFMJNNVWPKIB-GOSISDBHSA-N 312.369 2.788 0 50 DFAA Cc1ccc(SCCCN(C)C[C@]2(O)CCCNC2)cc1 72470286 PTNUWEOOIFSFLX-KRWDZBQOSA-N 308.491 2.524 0 50 DFAA CN(Cc1nccs1)C(=O)Nc1cnc(C(C)(C)C)nc1 175784833 GYRNVQIWYSFAHH-UHFFFAOYSA-N 305.407 2.895 0 50 DFAA Cc1[nH]nc(C2CC2)c1-c1ccc(S(=O)(=O)N(C)C)cc1 426527650 CVNQTERJWBDZAF-UHFFFAOYSA-N 305.403 2.513 0 50 DFAA C[C@@H](CNC(=O)CCc1ccc(F)c(F)c1)Oc1cccnc1 221242905 LNQJGLIGTWLFRY-LBPRGKRZSA-N 320.339 2.876 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)c2ccccc21 177470066 OLALJPPCHSFVDO-CYBMUJFWSA-N 317.291 2.722 0 50 DFAA CN(CCCOc1ccccc1F)C(=O)C[C@@H]1CCCOC1 426501864 OMPKRSIXQHZFCH-AWEZNQCLSA-N 309.381 2.870 0 50 DFAA Cc1nccn1C[C@H](C)CNC(=O)c1cc(O)ccc1Cl 289551476 KKLPKAXMMIHYBN-SNVBAGLBSA-N 307.781 2.617 0 50 DFAA COCc1cccc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)c1 177521463 JZMSUWHZAUQPHS-INIZCTEOSA-N 317.433 2.783 0 50 DFAA 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300.318 2.576 0 50 DFAA O=C(CCC1CC1)N1CC[C@@H](Cn2cc(C3CCCC3)nn2)C1 1875323578 MNCIQGOYIHPNNN-OAHLLOKOSA-N 316.449 2.974 0 50 DFAA Cn1ccc([C@@H]2C[C@H]2c2nc(N3Cc4ccccc4C3)no2)n1 1875320514 SCKSMASLPFCFHI-ZIAGYGMSSA-N 307.357 2.594 0 50 DFAA Cc1nc(C)c(CN=c2[nH]c(N(C)C)nc3ccccc23)s1 1875337669 YZNHTMZLJCBGBT-UHFFFAOYSA-N 313.430 2.803 0 50 DFAA CC(C)c1nc(CNCCc2nc(-c3cccnc3)no2)co1 952981013 TWJBRJVJDYFNTE-UHFFFAOYSA-N 313.361 2.575 0 50 DFAA Cc1cccc2ncc(C(=O)N[C@H](c3cnn(C)c3)C(C)C)n12 885417372 ODOSYESQAZVUEE-INIZCTEOSA-N 311.389 2.503 0 50 DFAA Cc1ccc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)o1 275321345 OTFCOYUGILEFRS-FFSVYQOJSA-N 317.389 2.585 0 50 DFAA Cc1cc(C)c2c(c1)N(C(=O)c1cnn3ncccc13)CCC2 170596611 VWTYBXZPEONJRC-UHFFFAOYSA-N 306.369 2.939 0 50 DFAA Cc1ccc2[nH]c(CN3CCS(=O)(=O)[C@H](C)[C@@H]3C)cc2c1C 408295456 UNZOSQRHYRASQH-UONOGXRCSA-N 320.458 2.792 0 50 DFAA Cc1noc(C)c1[C@H](C)NC(=O)CCc1ccc(C(=O)O)cc1 170671432 PZSGADRHEBMKFU-JTQLQIEISA-N 316.357 2.800 0 50 DFAA C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N1CCOCC2(CCOCC2)C1 221799562 VJRLXWZVJFTVHE-PMPSAXMXSA-N 324.465 2.650 0 50 DFAA O=S(=O)(NCc1ccoc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 585115524 FEMVREOCAQUUFS-MNOVXSKESA-N 311.325 2.820 0 50 DFAA CC(=O)Nc1cccnc1NC(=O)Cc1ccc2c(c1)CCC2 188850449 FBCMYOIEYWJBKM-UHFFFAOYSA-N 309.369 2.710 0 50 DFAA O=C(NC1(c2nc[nH]n2)CCC1)c1c[nH]c2cc(Cl)ccc12 684755977 ODFPQWYDUMCXPV-UHFFFAOYSA-N 315.764 2.749 0 50 DFAA CN(C(=O)CCC(=O)OC(C)(C)C)c1nc2ccccc2n1C 192356199 SICSFPZXVBIRMG-UHFFFAOYSA-N 317.389 2.658 0 50 DFAA Cc1noc(C)c1C[C@H](C)C(=O)Nc1cc(C(=O)O)ccc1F 195551240 KTEOATBUEODLPU-QMMMGPOBSA-N 320.320 2.946 0 50 DFAA C[C@@H](COc1ccc(F)cc1)NC(=O)c1c[nH]nc1C1CC1 195579244 MPFGAADPNGPLIH-JTQLQIEISA-N 303.337 2.624 0 50 DFAA C[C@H](C(=O)N(C)Cc1nc2ccc(F)cc2[nH]1)n1cccc1 1506408829 XUPSKYRBBPVRHB-LLVKDONJSA-N 300.337 2.723 0 50 DFAA Cc1ccc(NC2(C(=O)N3CC[C@H](O)C3)CCCCC2)cc1 1506398488 DQLUEOZYYXZTGB-INIZCTEOSA-N 302.418 2.703 0 50 DFAA C[C@@H]1COc2ccc(C(=O)NCc3csc(N(C)C)n3)cc21 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CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)O)o2)nc1 263146646 HCYPFXKFEQMYNB-UHFFFAOYSA-N 302.330 2.600 0 50 DFAA CO[C@]1(C)CCCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1 263576127 QAECDPMXBDPTCP-GOSISDBHSA-N 319.401 2.735 0 50 DFAA CCCN(CC(C)(C)O)C(=O)c1c(C(C)C)nn(C)c1Cl 267202638 YCCSDIALLAIMDA-UHFFFAOYSA-N 315.845 2.820 0 50 DFAA Cc1ccc(CN(CCO)C(=O)c2cc3c(C)cccn3c2)o1 935768896 XGRTVBUVDNUICY-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cc(Br)cs1 121781934 IHWATFLCQCQMEA-PSASIEDQSA-N 317.252 2.853 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@]3(F)CCO[C@H]3C)cc2)c1C 2325767748 PKDOLMROAIZXII-GUYCJALGSA-N 317.364 2.945 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC1CCC2(CC1)CC(N)C2 2325795352 AZKJEDDFSVVECA-JIGABRDPSA-N 318.465 2.686 0 50 DFAA O=C(N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2)c1ccc(Oc2ccncc2)cc1 2325796962 KXQZUIBTPZYUSZ-PSMGESJCSA-N 324.380 2.763 0 50 DFAA Cc1nc([C@H]2CCN(Cc3c(Cl)cccc3C(=O)O)C2)no1 903626948 KEBGJRJBKAWFCU-JTQLQIEISA-N 321.764 2.719 0 50 DFAA COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)c(OC)c1 201107 UJTKPRROZALPSD-UHFFFAOYSA-N 301.346 2.558 0 50 DFAA COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC(C)(C)C 279838 WSMQHHAMVMVTKK-AWEZNQCLSA-N 318.373 2.665 0 50 DFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@@H]1c1ccccc1 406592 KOCOKYLTDXXWMI-HNNXBMFYSA-N 301.342 2.569 0 50 DFAA O=C(Nc1cccc(O)c1)c1ccc(-n2cnnc2)cc1Cl 6703652 HGBWUOARVUVSMX-UHFFFAOYSA-N 314.732 2.879 0 50 DFAA Cc1ccccc1[C@H](O)CNC(=O)C1(C(=O)c2ccccc2)CC1 225581834 HETUZRIGOBUBTQ-QGZVFWFLSA-N 323.392 2.808 0 50 DFAA CCc1cnc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)nc1 67489592 JLINSMGUYFLTRM-MRXNPFEDSA-N 319.449 2.577 0 50 DFAA C[C@H](c1ccon1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 65396851 ZSCHAUBZZKELAG-CYBMUJFWSA-N 310.357 2.753 0 50 DFAA Cc1ncc(CN[C@H]2CCCN(CC3CCCCC3)C2)cn1 20205032 NWFPJCXPOLCWKV-SFHVURJKSA-N 302.466 2.919 0 50 DFAA C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccnc1 421636138 XHJORZDMIIAUIT-GXTWGEPZSA-N 304.390 2.664 0 50 DFAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1ccccn1 249693611 ODXGWPRWSXMZEK-ZWKOTPCHSA-N 315.461 2.880 0 50 DFAA CCN(CC1CCOCC1)C(=O)c1ccc(-c2cc[nH]n2)cc1 67833735 QDZGKQNQZKFHEX-UHFFFAOYSA-N 313.401 2.965 0 50 DFAA CCc1cnc(CCNC(=O)c2ccc([C@@H](C)N)cc2)s1 423428569 JMIZHBLMGBDKGN-LLVKDONJSA-N 303.431 2.698 0 50 DFAA CCC(CC)(CNC(=O)c1coc(C2CCOCC2)n1)OC 356007202 PAPPIKXEMDEOMM-UHFFFAOYSA-N 310.394 2.504 0 50 DFAA CN(C)c1cccc(CCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 253421356 VEMAZMIVHHMUIK-MSOLQXFVSA-N 316.445 2.855 0 50 DFAA COc1ccc(CC(=O)N2CCC(F)(F)[C@H](C)C2)c(F)c1 356828004 VZKCOCCNQAEWAE-SNVBAGLBSA-N 301.308 2.881 0 50 DFAA C[C@H](C(=O)N[C@H]1CCO[C@H](c2cncn2C)C1)c1cccs1 331536358 XCQHGHLAZBCGPK-OBJOEFQTSA-N 319.430 2.622 0 50 DFAA COc1ccc(C)cc1-n1ccnc1-c1cc2n(n1)CCCNC2 72473869 XQEPHOMDLSDCMM-UHFFFAOYSA-N 323.400 2.546 0 50 DFAA CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 154023165 OMKYCJSJGKNECO-GOEBONIOSA-N 302.418 2.642 0 50 DFAA Cc1cc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)no1 33270264 VUIRPTUVZNEQMO-OAHLLOKOSA-N 306.387 2.650 0 50 DFAA COCCn1ccnc1CN(C)Cc1ccc2ncccc2c1 216363968 JUXOJUOBZLEIDH-UHFFFAOYSA-N 310.401 2.710 0 50 DFAA C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1CC(=O)O 237392574 JEYFFZLYUVWBBX-IUODEOHRSA-N 305.374 2.848 0 50 DFAA CCC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)C1CCCC1 449191886 KUPUHSJFHGPCHX-HUUCEWRRSA-N 306.454 2.688 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 158205450 MTQNFBHTRNRNOC-CZUORRHYSA-N 322.453 2.640 0 50 DFAA O=C(CCC(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1 77438059 MLXJHPOPTLYKNQ-UHFFFAOYSA-N 321.730 2.726 0 50 DFAA Cn1cnc2cc(C(=O)NC[C@H]3CCOC(C)(C)C3)ccc21 457200572 FYOGHNFGXZUTMH-LBPRGKRZSA-N 301.390 2.508 0 50 DFAA O=C(O)[C@@H]1CCCN1Cc1csc(Cc2ccccc2)n1 262621102 DWNYQVORVRQUPN-AWEZNQCLSA-N 302.399 2.783 0 50 DFAA C[C@@H]1CN(CC(F)(F)F)CCN(c2noc(C(C)(C)C)n2)C1 450872811 OUNZSPQTLAWFQG-SNVBAGLBSA-N 320.359 2.688 0 50 DFAA C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCCc1cccs1 174899130 ZYYJDIWNIUCUJP-CXAGYDPISA-N 303.427 2.962 0 50 DFAA CC[C@](C)(NC(=O)c1ncn(C(C)(C)C)n1)c1nc(C)cs1 291557445 UDHTWJJKUUFCGX-HNNXBMFYSA-N 321.450 2.853 0 50 DFAA c1ccc(-c2nccc(NC[C@@H]3COc4ccccc4O3)n2)cc1 340595122 JOCUNRXNRWELEY-OAHLLOKOSA-N 319.364 3.396 0 50 DFAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@@H]2CC=CCC2)c1 263255026 VSPLBIHRFFMLLV-FZKQIMNGSA-N 317.385 2.858 0 50 DFAA CC(C)c1ccc(C[C@@H](C)NC(=O)N2CC[C@@H](C(=O)O)C2)cc1 263253471 PHBUSGLSBNRSTB-CZUORRHYSA-N 318.417 2.857 0 50 DFAA Cc1noc(C)c1C(=O)N1CCC[C@H](OCc2ccccn2)C1 82120627 GIAVLDBDGZZRHV-HNNXBMFYSA-N 315.373 2.508 0 50 DFAA CCOc1ccc(NC(=O)N(CC)Cc2nc(C)no2)c(F)c1 426383325 QBZZTZFPSPJQCJ-UHFFFAOYSA-N 322.340 2.970 0 50 DFAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccoc1C)C2 95382061 QQYUXTHUAOURTN-LSDHHAIUSA-N 316.401 2.617 0 50 DFAA COc1nc(NC[C@H]2CCOc3ccccc3C2)ncc1F 97716964 FHCWZQCUWQGFDL-NSHDSACASA-N 303.337 2.678 0 50 DFAA CC[C@@H](C(=O)N(C)Cc1ncc(C)c(OC)c1C)n1cccn1 91625727 QBQFDLLHUSMNGZ-HNNXBMFYSA-N 316.405 2.513 0 50 DFAA CCN(CC)C(=O)c1cccc(-c2ncc3ncn(C)c3n2)c1 1240049779 SBGCSOFWLGDKAZ-UHFFFAOYSA-N 309.373 2.512 0 50 DFAA O=C(NCCSCc1ccccc1)c1ccc2nccn2c1 91574763 QSZDCLOETDPQJB-UHFFFAOYSA-N 311.410 2.998 0 50 DFAA Cc1cccnc1NCCn1cc([C@@H]2CCOC(C)(C)C2)nn1 91461132 FVTJATSORJICCO-CQSZACIVSA-N 315.421 2.766 0 50 DFAA COc1ccc2c(c1)OC[C@H](Cc1ncc(C)c(N(C)C)n1)C2 92002823 FVDKRVQEFZGJQJ-ZDUSSCGKSA-N 313.401 2.653 0 50 DFAA O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)[C@@H]1C[C@H]2C=C[C@H]1C2 628776237 UJZUPPHVHCKNGL-DDUYRFODSA-N 311.360 2.967 0 50 DFAA CC(C)NC(=O)CCN(C)CCc1nc2cc(Cl)ccc2[nH]1 243900913 AXMXAYYEWJXXJF-UHFFFAOYSA-N 322.840 2.605 0 50 DFAA COCc1cc(CN2CC(N3CCCC[C@@H]3C)C2)ccc1OC 244734904 NNTQWHAECYZVKR-HNNXBMFYSA-N 318.461 2.900 0 50 DFAA COC(=O)c1coc(C(=O)N[C@H](c2ncc(C)s2)C2CC2)c1 185001995 SWUZBJHDBNMYJL-LBPRGKRZSA-N 320.370 2.712 0 50 DFAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C1CCOCC1 298734788 RGGINSZHSPGCKG-INIZCTEOSA-N 305.374 2.610 0 50 DFAA CNC(=O)C1(NC(=O)c2cc(F)ccc2Cl)CCCCC1 299787536 OUPPDKVSMILYSL-UHFFFAOYSA-N 312.772 2.658 0 50 DFAA Cc1cccc(C2(c3noc([C@H](O)c4cccnc4)n3)CC2)c1 1875276415 FCLKGJPBMIVWNO-OAHLLOKOSA-N 307.353 2.935 0 50 DFAA Cn1nc(C2CCC2)cc1C(=O)N[C@H]1C[C@H]2C[C@H]1CC2(F)F 1875297059 ASQMWRNTQWNTKS-TUAOUCFPSA-N 309.360 2.851 0 50 DFAA COC1(c2nccn2C)CN(c2nc3cccc(C)c3s2)C1 952993063 AXPKIANUAINIDL-UHFFFAOYSA-N 314.414 2.700 0 50 DFAA Cc1ccc(C)c(-c2n[nH]cc2CN[C@H](C)c2nncn2C)c1 952980454 JWCLEYVKQOLYCR-CYBMUJFWSA-N 310.405 2.673 0 50 DFAA Cc1cc(CC(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)on1 952969289 DIOQSNIIUPDLLN-LBPRGKRZSA-N 313.357 2.680 0 50 DFAA Cc1cc(CNC(=O)CCn2cnc3ccccc32)cnc1C 952972897 QLJNSCMKZWDFNI-UHFFFAOYSA-N 308.385 2.755 0 50 DFAA COC[C@H](O)CN[C@H](c1ccccc1)c1cccc2[nH]ccc12 888099051 ULHRLVAMAHXDJN-DNVCBOLYSA-N 310.397 2.854 0 50 DFAA Cc1nc2ccccc2nc1N1CCC[C@H]1c1ccc(N)nn1 1775959560 GOKCQGUMZUFBCD-HNNXBMFYSA-N 306.373 2.652 0 50 DFAA CC[C@@H](NC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1)C1CC1 895807755 SWWJMVZTLBICAN-HZPDHXFCSA-N 314.433 2.764 0 50 DFAA Brc1cc(I)c2nccn2c1 77011273 OKEMQQRZPHOOGS-UHFFFAOYSA-N 322.931 2.701 0 50 DFAA in-vitro CC1(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CCC1 170086509 OTAWXTRKWWKLSK-UHFFFAOYSA-N 321.387 2.750 0 50 DFAA CC1(C)CN(C(=O)c2ccc3[nH]ccc3c2)C[C@@]2(CCOC2)O1 279893069 ALROFNCQRBGWJC-GOSISDBHSA-N 314.385 2.578 0 50 DFAA COc1ccccc1CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)O)C1 171790200 GKFMCISAHYWIQS-QWHCGFSZSA-N 305.374 2.545 0 50 DFAA CCc1c(NC(=O)c2cccc(CO)c2)cnn1CC(C)C 585085551 UCDNPKKMYKBLOM-UHFFFAOYSA-N 301.390 2.846 0 50 DFAA CC(C)c1nnc2n1CCN(Cc1noc3c1CCCC3)[C@@H]2C 189529426 UIASKLGNAWJURQ-GFCCVEGCSA-N 315.421 2.845 0 50 DFAA O=C(c1ncc(F)cc1F)N1CC[C@@H](Nc2ccccc2)C1 192047625 LQXJTIDEFLZFKR-CYBMUJFWSA-N 303.312 2.686 0 50 DFAA O=C(Cc1ccsc1)NC[C@H]1CCCN(CC(F)(F)F)C1 646505165 ZWSHNDXLIXOUIP-GFCCVEGCSA-N 320.380 2.681 0 50 DFAA CC(C)(O)CN(C(=O)Nc1cc(C(F)(F)F)ccn1)C1CC1 192421798 NOUKTGKFKSYKGZ-UHFFFAOYSA-N 317.311 2.868 0 50 DFAA Cc1ccc(-c2ccc(C(=O)N[C@H]3CSC[C@H]3C)cc2)nn1 648390180 BDJQGQZYRXCMNE-BZNIZROVSA-N 313.426 2.933 0 50 DFAA CC(C)(Cc1ccccc1)C(=O)NCc1nc2cccnc2[nH]1 194223501 CDYRPUCLMXJONI-UHFFFAOYSA-N 308.385 2.843 0 50 DFAA O=C(O)[C@H]1C[C@@H](NC(=O)[C@H]2COc3ccccc32)c2ccccc21 653331328 PPKXYIMXNQPCTE-HRCADAONSA-N 323.348 2.592 0 50 DFAA CCc1onc(C)c1NC(=O)Nc1cccc(CC(=O)O)c1 669501890 YMHJRODGPVVZIX-UHFFFAOYSA-N 303.318 2.817 0 50 DFAA CCc1cc(N[C@@H](C)[C@H](O)c2ccc(O)cc2)n2nccc2n1 215561995 TVGTZCMUGZDMLQ-GTNSWQLSSA-N 312.373 2.531 0 50 DFAA CCCOc1ccc(C(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)cc1Cl 1772706184 AHQYHYYQGOYYFM-MBNYWOFBSA-N 309.793 2.582 0 50 DFAA CCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1O 5686453 IGWGXLHUJNBNQX-UHFFFAOYSA-N 317.732 2.932 0 50 DFAA CCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1 13717650 ILWSQTPVJOAOCN-UHFFFAOYSA-N 309.373 2.954 0 50 DFAA Cn1c(S)nnc1-c1cnn(-c2ccccc2)c1-n1cccc1 15923824 GYMMXAHMLFGWBW-UHFFFAOYSA-N 322.397 2.747 0 50 DFAA CCc1ccccc1NC(=O)c1nnn(-c2cccc(C)c2)c1N 16650047 HVOMNNBRDILAEO-UHFFFAOYSA-N 321.384 2.973 0 50 DFAA COc1ccc([C@H]2C[C@@H]2C(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1 1857532036 AYWYPVJKWWQKCH-GFOFROLCSA-N 303.402 2.825 0 50 DFAA CCC(=O)N[C@H]1CCCN(C(=O)c2cccc(Cl)c2C)C1 225589446 KUIBCRJAYQHYST-LBPRGKRZSA-N 308.809 2.779 0 50 DFAA NC[C@@H]1CC[C@@H](NC(=O)N2CCc3cc(Cl)ccc3C2)C1 332115076 CPJJETMPCVGDON-IAQYHMDHSA-N 307.825 2.535 0 50 DFAA CCc1nc(C)cc(NC[C@H]2CCN(CC(F)(F)F)C2)n1 241171002 KDLVWAXOKQXURW-LLVKDONJSA-N 302.344 2.644 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3ncccc3c2)C1 393330531 QWHAMOUQXMDIOW-GXTWGEPZSA-N 323.318 2.729 0 50 DFAA O[C@@H](CN1CC[C@H](OCc2ccncc2)C1)c1cccc(F)c1 805754045 VBJAALFOBGJWPR-ROUUACIJSA-N 316.376 2.545 0 50 DFAA CCn1nc(C(=O)Nc2c[nH]nc2-c2ccccn2)cc1C1CC1 907050403 KIKJGLTZKPRXGM-UHFFFAOYSA-N 322.372 2.818 0 50 DFAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)ncn1 930534395 BWLZIBFUNQHBFY-CYBMUJFWSA-N 314.345 2.560 0 50 DFAA Cc1ccc2cc(CN3[C@H]4CC[C@@H]3C[C@@H](CO)C4)c(O)nc2c1 2100540840 RNLLXXIPQQSSLD-FFGGFLGDSA-N 312.413 2.984 0 50 DFAA CC1(C)[C@H](C(=O)O)CCN1C(=O)c1cccn1C1CCCC1 2325778120 AMINZMJYSJJGQE-ZDUSSCGKSA-N 304.390 2.929 0 50 DFAA COc1ccc([C@H]2C[C@@H](NC(=O)C3(C)CC(C(=O)O)C3)C2)cc1 2325779000 ZXLYYOGYFGFTNX-OXRVWGQASA-N 317.385 2.558 0 50 DFAA CCn1c(CN2C[C@@H](CC(=O)O)C(C)(C)C2)nc2ccccc21 2325788320 YFDJDUYYMMVIEQ-CYBMUJFWSA-N 315.417 2.989 0 50 DFAA Cc1cnc(CCCC(=O)N2C[C@@H](CCN)c3ccccc32)o1 2325795114 GFTJOAQSFKUVQO-CQSZACIVSA-N 313.401 2.785 0 50 DFAA Cc1cc(CO)oc1C(=O)N1CCCC[C@H]1C1CCOCC1 2325810584 SJMIZXRHHDPYBN-HNNXBMFYSA-N 307.390 2.502 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3occc3CN)cc2)c1C 2325824689 MKFPAZXRCKTIAH-UHFFFAOYSA-N 310.357 2.793 0 50 DFAA O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccccc1 108851 JEUQSVWLOPCDJW-OAHLLOKOSA-N 312.394 2.806 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 315127 QZMQWQDHASURRK-UHFFFAOYSA-N 322.430 2.814 0 50 DFAA Cc1nn([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1C 469072 SHKKPWNIJOZJTN-AWEZNQCLSA-N 317.776 2.966 0 50 DFAA CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCC3 477109 OYDYPRXJDMJQQJ-UHFFFAOYSA-N 307.444 2.739 0 50 DFAA O=C(COc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 1055622 AXZPLSKCMNBDIO-UHFFFAOYSA-N 324.380 2.940 0 50 DFAA CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=S 2091504 DIMYFVJBNJDTGT-HNNXBMFYSA-N 313.426 2.822 0 50 DFAA biogenic Cc1cc(NCCO)nc(-c2ccc(Br)cc2)n1 2493738 DUKPGOOUJNUIOI-UHFFFAOYSA-N 308.179 2.619 0 50 DFAA in-vitro Cc1cc(Cl)cc(Br)c1OCCNC[C@H](C)O 2880937 UOLJLVGLVNKYNO-VIFPVBQESA-N 322.630 2.760 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(O)cc2)N1 2895992 OHWUOYUHWJMINH-HZPDHXFCSA-N 308.337 2.562 0 50 DFAA biogenic Cc1cccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c1 3607360 HVWYQFOOKYBPQC-ZDUSSCGKSA-N 313.353 2.807 0 50 DFAA CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 4113537 BXJRIVNYXGFZPA-AWEZNQCLSA-N 306.337 2.797 0 50 DFAA C[C@@H](CCCN(C)C)OC(=O)c1cccc(-n2cccn2)c1 225579654 LIYFVGVASBALFS-AWEZNQCLSA-N 301.390 2.759 0 50 DFAA Cc1ncc(CN[C@H]2CCCN(CC3CCCCC3)C2)n1C 22914189 RLAIRVAIJBCDDW-KRWDZBQOSA-N 304.482 2.863 0 50 DFAA CC(=O)CCc1ccc(OCCCCN2CCOCC2)cc1 20652755 SCABMOOTJGLPPY-UHFFFAOYSA-N 305.418 2.699 0 50 DFAA CCSCCNc1nc(-c2ccccc2)nc2c1CCNC2 67840526 LBURRWPDIYIJII-UHFFFAOYSA-N 314.458 2.954 0 50 DFAA Cc1cc(CO)oc1C(=O)N[C@@H]1COc2cccc(Cl)c21 366522707 DTFAXWUTBMWPRE-LLVKDONJSA-N 307.733 2.597 0 50 DFAA COCc1nc(CN2[C@H](C(=O)OC)C[C@@H]3CCCC[C@H]32)cs1 252514789 DVQAGTAMUNRZLR-YUTCNCBUSA-N 324.446 2.596 0 50 DFAA CN(CC12CC3CC(CC(C3)C1)C2)c1ncnc2c1CCNC2 67842294 JNRZVJCGTVZPDM-UHFFFAOYSA-N 312.461 2.775 0 50 DFAA Cc1nccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)n1 355365667 KASZAJCBBYSHSZ-ROUUACIJSA-N 308.429 2.711 0 50 DFAA FC(F)(F)c1cccc(N2CCN([C@H]3CCCNC3)CC2)c1 35835454 VCEBVQUNVRUVPC-HNNXBMFYSA-N 313.367 2.579 0 50 DFAA CC(=O)Nc1ccc(C(=O)NCc2csc(C)n2)cc1C 71762423 JYICNTQDZPJIAA-UHFFFAOYSA-N 303.387 2.648 0 50 DFAA O=C(CCOc1ccc2ccccc2c1)N1C[C@@H](F)C[C@@H]1CO 366020588 WBCZWAQCFHDRRK-JKSUJKDBSA-N 317.360 2.540 0 50 DFAA Cc1ccc([C@@H]2CCCN(CC(=O)NCC(F)(F)F)C2)cc1 363508781 RNEJANBQQZROHM-CQSZACIVSA-N 314.351 2.853 0 50 DFAA O=C(N1CCOCC1)N1CCCC[C@@H]1CCc1cccs1 72126575 SPKHSUAGNIQHKG-CQSZACIVSA-N 308.447 2.987 0 50 DFAA O=C(CCCn1cccc1)N1CC[C@](O)(c2ccc(F)cc2)C1 369238804 SJGVESXHSBAFCI-GOSISDBHSA-N 316.376 2.528 0 50 DFAA C[C@@H](CNC(=O)C1CCNCC1)c1nc2ccccc2s1 237525408 CYCFYLKJLQZLDH-NSHDSACASA-N 303.431 2.516 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 262569764 GHUKTESDDHIIAO-DGCLKSJQSA-N 314.351 2.834 0 50 DFAA CO[C@@H]1CCC[C@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 129884620 MBSCARRNJGLAHT-CHWSQXEVSA-N 301.308 2.932 0 50 DFAA Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)[nH]n1 71746730 WYBSHPWMKXAPJH-CQSZACIVSA-N 305.765 2.585 0 50 DFAA Cc1cccc([C@@H](NC(=O)N[C@@H]2CCN(C)C2=O)C(C)(C)C)c1 176290126 LBOLXOIGXUHYMV-HUUCEWRRSA-N 317.433 2.612 0 50 DFAA CCC[C@@H](NC(=O)CSc1ccccn1)c1nccn1C 222285501 ORTIVKFHZVQJHJ-GFCCVEGCSA-N 304.419 2.565 0 50 DFAA Cc1ccc(-c2noc(-c3cc4c(cc3C)OCCO4)n2)nn1 95500557 PJQFSTXPENGDCZ-UHFFFAOYSA-N 310.313 2.582 0 50 DFAA CN1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2[nH]ccc2c1 97547427 TWMOYMRBHHKOEK-IBGZPJMESA-N 319.408 2.841 0 50 DFAA C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@]1(O)C1CCC1 91690756 NQIJZZRICXPKPR-DIFFPNOSSA-N 309.356 2.517 0 50 DFAA CN(Cc1cccc(O)c1)C(=O)[C@H](c1cccc(F)c1)N(C)C 95357653 DWIUEDHYBOVEOD-KRWDZBQOSA-N 316.376 2.793 0 50 DFAA O[C@H]1CCCOC12CCN(Cc1ccc3occc3c1)CC2 95373600 FSJIMGCBFCRMQP-KRWDZBQOSA-N 301.386 2.939 0 50 DFAA Cn1ccc(-c2nc(C3CC3)nn2CCc2ccccc2)cc1=O 96164760 BFVAIDYIUXMSFH-UHFFFAOYSA-N 320.396 2.764 0 50 DFAA COc1ccc2[nH]c3c(c2c1)CN(C[C@H]1CCCOC1)CC3 244873167 WLEFXSAQPVDNNQ-CYBMUJFWSA-N 300.402 2.961 0 50 DFAA Cc1noc([C@H]2CCCCN2Cc2noc(-c3ccco3)n2)n1 252482700 DMEYQEXIHLSFDM-LLVKDONJSA-N 315.333 2.748 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 257346242 WARJRVLSUJRZKT-NXRPOSQOSA-N 306.446 2.930 0 50 DFAA O=C(NCc1csc2c1CCCC2)N1CCC(CO)CC1 534664688 LLCGILQCKMQMNC-UHFFFAOYSA-N 308.447 2.541 0 50 DFAA O=C(CN1CCCCCCC1)N1CCCC2(CCOCC2)C1 584901819 RXJXYFJMAKLJHO-UHFFFAOYSA-N 308.466 2.672 0 50 DFAA CC(C)c1noc([C@@H](C)NC(=O)c2onc3c2CCCC3)n1 670469541 XGTVFBQUPNKXSO-SECBINFHSA-N 304.350 2.551 0 50 DFAA COCC1CC(Nc2nc(-c3cccnc3)nc3c2CCC3)C1 866246502 TUAJKXZGSFEJLH-UHFFFAOYSA-N 310.401 2.864 0 50 DFAA COC(=O)c1ccnc(Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)n1 1875275823 VJEHQLORHNGKGT-WFASDCNBSA-N 324.384 2.996 0 50 DFAA Cc1nc2c(s1)[C@@H](NCc1noc3c1COCC3)CCC2 1875284649 DJFAXCQGUGMKJH-NSHDSACASA-N 305.403 2.679 0 50 DFAA Cc1csc(-c2ccc(S(=O)(=O)NC3(C)CC3)cc2)n1 1875266980 FPFCRRITRMMMHG-UHFFFAOYSA-N 308.428 2.949 0 50 DFAA CCc1ccc(CN(CC)C(=O)[C@H](C)Cn2cncn2)cc1 952969382 JELQMKUVTAIGEY-CQSZACIVSA-N 300.406 2.525 0 50 DFAA CC(C)=CCN1CCC[C@@H](CNC(=O)CCc2ccncc2)C1 952973440 NTDAPPIPQQFLEE-SFHVURJKSA-N 315.461 2.809 0 50 DFAA Cc1nnc(SCCCN[C@H](C)Cn2ccnc2C)s1 952966947 XRHGOXKKXKJDSH-SNVBAGLBSA-N 311.480 2.512 0 50 DFAA Cc1c(NC(=O)c2cc(C3CC3)no2)cccc1-c1nncn1C 952866819 FDBANGUFIXZZGM-UHFFFAOYSA-N 323.356 2.908 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(Cc2cc[nH]c2)C1 886079743 ZSCCHQFKUSVSBS-WBVHZDCISA-N 323.400 2.762 0 50 DFAA Cc1cccc2cc(C(=O)N[C@@H]3CCOC34CCOCC4)oc12 890437105 YPTSRUAPFRBUOY-OAHLLOKOSA-N 315.369 2.809 0 50 DFAA CCc1cc(N2CCC(Nc3nc(C)cnc3C)CC2)ncn1 273833435 GHJQGBIGDDYDIN-UHFFFAOYSA-N 312.421 2.527 0 50 DFAA Cn1cncc1CC(=O)NCC(c1ccccc1)c1ccccc1 186740075 ZNOKJNSGWRPJHS-UHFFFAOYSA-N 319.408 2.911 0 50 DFAA O=C(c1ccoc1C1CC1)N(C[C@H]1CCCO1)c1ccnnc1 585125684 BGDLVLKPGMULBZ-CQSZACIVSA-N 313.357 2.773 0 50 DFAA COc1cc(C(=O)NCCc2coc(-c3ccccc3)n2)ccn1 1325686725 RFSLMYGIIULJQS-UHFFFAOYSA-N 323.352 2.718 0 50 DFAA Cc1noc(C)c1CC(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1 191399257 AMSVWBIVBPYOJS-JTQLQIEISA-N 316.357 2.736 0 50 DFAA CC[C@H](C(=O)O)N1CCN(Cc2cccc3ccccc23)CC1 191426517 FVVIXBLKDIZKJD-GOSISDBHSA-N 312.413 2.821 0 50 DFAA CC1(C)[C@@H](O)C[C@H]1N=c1nc(-c2ccncc2)[nH]c2ccccc12 777808912 NTMBVHRCAQNZON-CVEARBPZSA-N 320.396 2.685 0 50 DFAA CSCC[C@H](NC1CCN(c2ccc(C)cc2)CC1)C(=O)O 1506412663 ZWCXZVDGACHGIR-INIZCTEOSA-N 322.474 2.760 0 50 DFAA Cc1nonc1CC(=O)N(C)CCCOc1ccccc1Cl 1506418836 UASIANYNZZOWFY-UHFFFAOYSA-N 323.780 2.501 0 50 DFAA CC[C@@H](NC(=O)CSc1nncn1C)c1ccc(C)c(C)c1 1506400306 CEADUZSWNQYSSE-CQSZACIVSA-N 318.446 2.792 0 50 DFAA Cc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c(Cl)c1 1704299303 IHLUJYXMKUCBJI-QZTJIDSGSA-N 322.880 2.927 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N2CC[C@H](O)C[C@@H]2C2CC2)c(C)c1 1772709767 MLAGEDFPPSXTKW-JKSUJKDBSA-N 323.458 2.536 0 50 DFAA COC(=O)c1sccc1NC(=O)COc1ccc(C)cc1 5746136 IKJGDNLLNFQAAB-UHFFFAOYSA-N 305.355 2.861 0 50 DFAA O=C(c1ccco1)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 11760096 RJTVRBXBFHTGQT-GOSISDBHSA-N 316.401 2.534 0 50 DFAA Nc1cc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)ccn1 12716846 BJOXXJZMBPXTSR-HNNXBMFYSA-N 316.449 2.581 0 50 DFAA CN1CC2(C1)CN(C(=O)C[C@@H](Cc1ccccc1)c1ccco1)C2 1857670844 FSLHLZSOQKNRTG-QGZVFWFLSA-N 324.424 2.770 0 50 DFAA COc1cc(C(=O)N2CCO[C@@H](C(C)C)C2)c2ccccc2n1 613312745 ZXPYIJOYTXEMQZ-MRXNPFEDSA-N 314.385 2.740 0 50 DFAA Cc1c(F)cc(Cl)c2c1CCCN2C(=O)[C@H](C)n1cncn1 332013898 YNBNAPGBCHEVOO-JTQLQIEISA-N 322.771 2.919 0 50 DFAA CCc1nnc(CN[C@H]2CCCC[C@H]2CC(F)(F)F)n1C 451297365 NWAXHQGHJUZMEA-QWRGUYRKSA-N 304.360 2.978 0 50 DFAA FC(F)Oc1cccc(CNc2nnc(-c3ccon3)s2)c1 340014101 JCRBQGFWUNUCIM-UHFFFAOYSA-N 324.312 3.407 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348252839 CATUFXLQPJURIO-KGLIPLIRSA-N 322.767 2.766 0 50 DFAA CN1[C@H]2CC[C@H]1CN(C(=O)NCC1CCC(F)(F)CC1)CC2 253398647 YTMPBURVWMIUTL-KBPBESRZSA-N 315.408 2.690 0 50 DFAA Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)s1 262926534 FPFSUKCEFDDGEK-AWEZNQCLSA-N 317.366 2.547 0 50 DFAA O=C(N=c1cc[nH]c2cccnc12)[C@H]1CCOC2(CCCC2)C1 905827641 QVVKOWYXSGOEGP-ZDUSSCGKSA-N 311.385 2.730 0 50 DFAA c1cc2c(cc1CN1CCC(C3CCNCC3)CC1)CCO2 1235702423 UTZDZZRWAIKUTB-UHFFFAOYSA-N 300.446 2.833 0 50 DFAA CCc1ncc(NC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cn1 930493299 NOZNGPQEMGQRAR-NSHDSACASA-N 306.410 2.754 0 50 DFAA O=C(COc1ccc(Cl)cc1Cl)NC[C@H]1CCCO1 37573 YOEYHZQQFRDZIX-SNVBAGLBSA-N 304.173 2.667 0 50 DFAA COC(=O)c1c(NC(=O)c2cc(C)on2)sc2c1CCCC2 9204270 ZIJIUSKCUDVKMP-UHFFFAOYSA-N 320.370 2.962 0 50 DFAA COCCc1nc(C[C@H]2CC[C@@H]2OC)n(-c2ccc(F)cc2)n1 2325849459 PXPVJCMIVAQWPK-DOMZBBRYSA-N 319.380 2.563 0 50 DFAA Cc1ccc(NC(=S)NC(=O)C[C@@H]2CC(C)(C)OC2=O)cc1 376744 OMIMSKLWXHHKQM-LLVKDONJSA-N 320.414 2.540 0 50 DFAA O=C(CSc1nnc(-c2ccccc2)o1)NCc1ccco1 421842 YZPKDCDYXTXRQV-UHFFFAOYSA-N 315.354 2.738 0 50 DFAA C[C@@]1(O)CCOC2(CCN(C(=O)CCc3ccsc3)CC2)C1 2356156805 RXIWBSIVHAGCRM-MRXNPFEDSA-N 323.458 2.603 0 50 DFAA O=C(CSc1cccc2cccnc12)NC[C@@H]1CCCO1 4699285 QNBGPURUPXRMHP-ZDUSSCGKSA-N 302.399 2.622 0 50 DFAA COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H]3CCC[C@@H]3N1CC2 4759858 GFMRLSXLFYOCEG-QEJZJMRPSA-N 301.386 2.745 0 50 DFAA COc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1 6553421 WOJHIVSVEUAZPR-UHFFFAOYSA-N 314.370 2.697 0 50 DFAA C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 6703981 XKIZHZXOPAMFAN-ZDUSSCGKSA-N 323.348 2.977 0 50 DFAA CSCC[C@@H]1NC(=O)N([C@H]2C[C@@]2(C)c2ccccc2C)C1=O 225557994 QECRDDCSLFUDFA-ZQIUZPCESA-N 318.442 2.699 0 50 DFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCCCNC1=O 8555804 DPWPMPRNAHEOPT-SMDDNHRTSA-N 314.351 2.895 0 50 DFAA CC[C@H](CO)N(Cc1cccs1)C(=O)c1cccnc1NC 55088497 BTVLBSZSYPPZEC-GFCCVEGCSA-N 319.430 2.598 0 50 DFAA c1ccc(-c2ncc(CN3CCN(CC4CCC4)CC3)[nH]2)cc1 20541877 NAERHMBJVPCLDF-UHFFFAOYSA-N 310.445 2.994 0 50 DFAA c1ccc(CCc2n[nH]c(CCn3nnc4ccccc43)n2)cc1 67740429 KNOGYEJJOLFRFP-UHFFFAOYSA-N 318.384 2.577 0 50 DFAA COc1ccc(-c2ccc(CN3CCN(C)CC3)cn2)cc1C 67650087 UESIXHUVQVNKHZ-UHFFFAOYSA-N 311.429 2.813 0 50 DFAA CC(C)c1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)no1 65429926 IMQHSILEJMYESA-ZDUSSCGKSA-N 300.358 2.874 0 50 DFAA C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCOCC1CC1 425143098 OHOGUJWDKBMYHG-LBPRGKRZSA-N 315.410 2.575 0 50 DFAA CCc1nc(C)c([C@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)[nH]1 67642205 SWVPRQNNQVZCKB-JTQLQIEISA-N 315.421 2.786 0 50 DFAA O=S(=O)(c1ccccc1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O 316372886 LTNVMLBVRRWSKR-BRWVUGGUSA-N 323.458 2.781 0 50 DFAA O=C1Nc2ccccc2CC[C@H]1N1CCC(N2CCCC2)CC1 252498586 RFOPZMUNQBWHEH-GOSISDBHSA-N 313.445 2.500 0 50 DFAA Cc1nc(CN(C)C(=O)CSCc2ccccn2)cs1 122663227 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O=C(NCc1ccoc1)N1CCCC[C@H]1CCn1cccn1 426521197 HYPVLRWDAGFSNI-HNNXBMFYSA-N 302.378 2.631 0 50 DFAA CSC[C@H]1CCCN(C(=O)NCCCc2c(C)n[nH]c2C)C1 426575047 PMKVYGKBJDGCIQ-AWEZNQCLSA-N 324.494 2.744 0 50 DFAA CCCn1ncc(C(=O)NCCSc2ccccn2)c1C 91593633 ITCWFWSZIMFTHV-UHFFFAOYSA-N 304.419 2.519 0 50 DFAA Cc1cccc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c1O 162842678 UWGSTMQBFFZZOZ-KRWDZBQOSA-N 311.381 2.944 0 50 DFAA CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(C(C)C)cc1 294442835 RAFRBIKYPQOZCC-IRXDYDNUSA-N 305.418 2.868 0 50 DFAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cccn1C 91550470 VUUPAEPRGDAQEO-HNNXBMFYSA-N 300.406 2.615 0 50 DFAA Cc1cc(CNC(=O)c2ccc3sc(C)nc3c2)n(C)n1 97655526 PNDKROMIXZOMOE-UHFFFAOYSA-N 300.387 2.577 0 50 DFAA Cc1cc(F)ccc1NC(=O)CN(C)CCN(C)C1CCCC1 244659590 HFJUOFIYWGZHMB-UHFFFAOYSA-N 321.440 2.879 0 50 DFAA c1ccc(CN2C[C@H](COc3ccccc3)OC23COC3)cc1 248127411 VPPSFZPHXKXTJX-GOSISDBHSA-N 311.381 2.693 0 50 DFAA CCc1nc(CN2CCC(O)(c3ccc(C)cn3)CC2)cs1 243893783 AUFHMTKVEDLPLV-UHFFFAOYSA-N 317.458 2.893 0 50 DFAA C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](c2ccccc2)C1 299370735 HZTOUIAXMYWMQN-UKRRQHHQSA-N 302.418 2.553 0 50 DFAA COC(=O)c1cccc(CS(=O)(=O)Cc2ccccc2)c1 263624655 SJNLLJBFRBGGFE-UHFFFAOYSA-N 304.367 2.588 0 50 DFAA O=C(O)c1cnc(CN2CCC[C@H](C3CCCCC3)C2)cn1 629363933 RJYWVTNVTHEXIO-AWEZNQCLSA-N 303.406 2.967 0 50 DFAA COc1ccccc1NC(=O)N1CCC[C@H]1Cn1cccn1 299761913 ZCXJXYJVLYUTCP-ZDUSSCGKSA-N 300.362 2.588 0 50 DFAA C[C@@H](Cc1ccsc1)NC(=O)CCN1CCCCCC1=O 827992492 UCZFJIJSCSWNCW-ZDUSSCGKSA-N 308.447 2.588 0 50 DFAA CC(C)C[C@H](CNC(=O)c1ncoc1C(F)(F)F)CC(=O)O 585134688 GLAYYCCMJZEGNW-QMMMGPOBSA-N 322.283 2.560 0 50 DFAA O=C(c1ccoc1)N1CCCN(Cc2ccc(Cl)o2)CC1 670466305 HUSJUZJXKGKQCU-UHFFFAOYSA-N 308.765 2.874 0 50 DFAA C[C@@H](CC1CC1)C(=O)NCCn1cc(-c2ccsc2)nn1 1875323530 KYBHKIRQSACWSI-NSHDSACASA-N 304.419 2.559 0 50 DFAA C[C@@H]1OCC[C@]1(C)C(=O)NCc1nc(C2CCCCC2)no1 1875320320 PCJVWKOUOJIRNO-ZBEGNZNMSA-N 307.394 2.549 0 50 DFAA COc1cccc(C)c1C(=O)NC1CCN(CCSC)CC1 952970964 UIEKTQMRBPZDEP-UHFFFAOYSA-N 322.474 2.561 0 50 DFAA CC(C)(O)[C@H]1CCCN(Cc2cnc(O)c3ccccc23)C1 1413049963 FWDNYOFMFKJKFC-AWEZNQCLSA-N 300.402 2.923 0 50 DFAA O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2ccsc2)C1 186575526 YFDUUGIITRWTQK-UHFFFAOYSA-N 320.345 2.960 0 50 DFAA CC[C@H]1CN(c2ccccc2)CCN1c1cc(C)nc2ncnn12 170596003 JKTNSIREWSQQOS-HNNXBMFYSA-N 322.416 2.538 0 50 DFAA CCO[C@@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)C1(CC)CC 170652941 DDFNXGKGYRZUBI-VXGBXAGGSA-N 313.829 2.829 0 50 DFAA Cc1ccc(-n2cc(NC(=O)NC3CCOCC3)cn2)c(C)c1 189641378 NIMVNUGQPYYBLH-UHFFFAOYSA-N 314.389 2.790 0 50 DFAA C[C@H](Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1nnnn1C 189874110 ZONDSHVTZRWNKC-LBPRGKRZSA-N 321.384 2.985 0 50 DFAA COc1ccnc(C(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)c1 191416350 PSQLGOQZABNJBN-LLVKDONJSA-N 314.341 2.606 0 50 DFAA C[C@@H](C(=O)NCc1ccc(-c2ncon2)cc1)c1ccc(O)cc1 1184285030 XJZSUJRPCBIJEB-GFCCVEGCSA-N 323.352 2.862 0 50 DFAA C[C@H]1COCC[C@H]1NC(=O)NCC(F)(F)c1cccc(F)c1 661068785 DRIWQTPILRYUTA-GXFFZTMASA-N 316.323 2.642 0 50 DFAA C/C(=C\C(=O)N1CCC[C@H]1Cn1ccnn1)c1ccc(F)cc1 794161403 PEZQPGGSMPHAAI-BYIUCRAPSA-N 314.364 2.512 0 50 DFAA Cc1cc(CC(=O)N2CCCC[C@@H]2CCn2ccnc2C)on1 1506340644 IOUXQVGOJHFEMI-OAHLLOKOSA-N 316.405 2.502 0 50 DFAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1c(O)ccc2ccccc12 213066594 IILVVIWQHLXDJD-HIFRSBDPSA-N 310.397 2.712 0 50 DFAA CCc1cc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)on1 219915401 MTTANHPQWCLISL-WBVHZDCISA-N 303.450 2.933 0 50 DFAA CCOc1cc(C)ccc1CNS(=O)(=O)c1ccsc1 352122701 HIYLEALMISSPIG-UHFFFAOYSA-N 311.428 2.934 0 50 DFAA O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCCCCC1 12054133 VZFWQKYELGVUKT-UHFFFAOYSA-N 318.808 2.996 0 50 DFAA CC(C)NCc1cccc(Oc2nnnn2-c2ccccc2)c1 12382639 QCGPXTMPBWOEJG-UHFFFAOYSA-N 309.373 2.953 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC(C)CC3)CC2=O)c(C)c1 15465719 MCZOHLUPBKBYRY-INIZCTEOSA-N 314.429 2.915 0 50 DFAA CC[C@]12COC(=O)N1CCN(Cc1cc(C)c(OC)cc1C)C2 1857674607 PUGKSRNLNXLGLA-SFHVURJKSA-N 318.417 2.729 0 50 DFAA O=C(c1ccncc1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857683144 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CC1(C)[C@H]2CCCN(C(=O)c3nnc4ccccc4c3O)[C@H]1C2 846563714 FFESHLISFUIOAW-FZMZJTMJSA-N 311.385 2.986 0 50 DFAA CN(C[C@H](O)c1cccc(Br)c1)[C@H]1CCSC1 225334431 LDRWGJYXFNRVBE-STQMWFEESA-N 316.264 2.920 0 50 DFAA O=C(COc1ccc(Cl)cc1Cl)N1CCSCC1 20607756 PNGWMLILUJSXSZ-UHFFFAOYSA-N 306.214 2.948 0 50 DFAA C[C@@H]1CC[C@H](Nc2ccc3c(c2)OCO3)[C@@H](n2cncn2)C1 2325708505 XOLXDTWGDGYIRG-XBFCOCLRSA-N 300.362 2.849 0 50 DFAA CCc1cc(=NCc2cc(-c3ccccc3)nn2C)[nH]c(C)n1 2325859295 URUVGNHBRWUDKV-UHFFFAOYSA-N 307.401 2.782 0 50 DFAA Cc1c(NC(=O)C(=O)N(C)Cc2ccsc2)ccc(F)c1F 2325869610 VYQNILGPNXJAGC-UHFFFAOYSA-N 324.352 2.932 0 50 DFAA CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 357622 BWKXAGKBHPXALU-UHFFFAOYSA-N 324.446 2.846 0 50 DFAA COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3)CC2=O)cc1 2866322 PUQBCSPRPYUPFF-AWEZNQCLSA-N 324.380 2.995 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1 6411140 GVXFPOQHKQCMNO-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA CCOC(=O)[C@H]1CCCN(CCCOc2ccc(F)cc2)C1 6701411 ATTSKDIFKYEZBL-AWEZNQCLSA-N 309.381 2.870 0 50 DFAA Cc1ccccc1N1CCN(CC(=O)NC2CCCCC2)CC1 55060346 WSYAJDMFISYYQZ-UHFFFAOYSA-N 315.461 2.566 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H]1c1ccccc1 250036864 BDABUOGLHDKJQH-UAGQMJEPSA-N 303.402 2.934 0 50 DFAA O=C(c1cc[nH]c1)N1CCCN(CCCc2ccccc2)CC1 68331231 FMBSTUPDALYGOQ-UHFFFAOYSA-N 311.429 2.795 0 50 DFAA Cc1nonc1CN(C)C(=O)c1[nH]c2ccc(F)cc2c1C 67868539 QCCXPWQYWDCTPT-UHFFFAOYSA-N 302.309 2.579 0 50 DFAA COC(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(O)c(F)c2)c1 67974324 KYXPRTFPBDDKEM-JTQLQIEISA-N 317.316 2.809 0 50 DFAA C[C@H](NC(=O)C1(C(=O)O)CC1)c1ccc(OCC2CC2)c(F)c1 119007682 UMPZIBFYEXYWNH-JTQLQIEISA-N 321.348 2.657 0 50 DFAA COCCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 20102741 KFUXWVSVTAWFCL-UHFFFAOYSA-N 324.852 2.705 0 50 DFAA CC(C)N(C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O 11817971 IMNGUMGEPRNSDV-SFHVURJKSA-N 310.482 2.651 0 50 DFAA Cc1ccc(C(=O)O)cc1NC(=O)c1ncoc1[C@H]1CCCO1 120237304 HOUTTXSJPBODCK-GFCCVEGCSA-N 316.313 2.785 0 50 DFAA CCc1cc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)n[nH]1 121223077 LEUVADAOABTPSW-UHFFFAOYSA-N 310.394 2.554 0 50 DFAA C[C@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c2ccccc21 328618690 DXJBXCUCBLCLGB-YLQAJVPDSA-N 311.385 2.648 0 50 DFAA CN(CCc1cnn(C)c1)C(=O)c1csc2c1CCCC2 215517228 FJTRORILVROKKN-UHFFFAOYSA-N 303.431 2.675 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2ccccc2O)CCCN1CC1CC1 71761563 BEDPPWGNUXNCRI-KRWDZBQOSA-N 316.445 2.975 0 50 DFAA Cc1nc2sccn2c1CN1CCC[C@@H](Cn2ccnc2)C1 72133267 JUVVVWXLEWZIJV-CQSZACIVSA-N 315.446 2.813 0 50 DFAA Fc1cccc(N2CCCC2)c1CN[C@H]1CCc2nc[nH]c2C1 377785737 QRSPLWRKAVLASR-ZDUSSCGKSA-N 314.408 2.796 0 50 DFAA Cn1nccc1S(=O)(=O)N1CCC[C@H]1CC1CCCCC1 372513997 QLZYSSAFHQVRGI-AWEZNQCLSA-N 311.451 2.544 0 50 DFAA C[C@H](NC(=O)/C=C/c1cccc(O)c1)c1ccc2c(c1)CC(=O)N2 128647359 XWQJTNFRWYGDAD-ZCRIDZFUSA-N 322.364 2.777 0 50 DFAA Cc1nc(-c2c[nH]c(C(=O)NCC[C@H]3CCCNC3)c2)cs1 237785800 AFJMFAWYENPVKG-GFCCVEGCSA-N 318.446 2.566 0 50 DFAA O=C(c1cc(Cl)[nH]c(=O)c1)N(CC1CCC1)CC(F)(F)F 158138871 KSANEKXPPRNRTR-UHFFFAOYSA-N 322.714 2.833 0 50 DFAA C[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)NC1CCCCC1 13961252 VXFHHFPPTCFZPO-SNVBAGLBSA-N 318.343 2.922 0 50 DFAA CC(C)c1ccc(C[C@H](C)NC(=O)N2CC[C@H](C(=O)O)C2)cc1 263253466 PHBUSGLSBNRSTB-BBRMVZONSA-N 318.417 2.857 0 50 DFAA CC1(C)CN(S(=O)(=O)c2ccoc2)Cc2ccccc2O1 288526508 ZJVSRMMTHKFNBN-UHFFFAOYSA-N 307.371 2.642 0 50 DFAA C[C@H](CN1CCC[C@H](N(C)CC(=O)O)CC1)c1ccc(F)cc1 263465896 CQGYXSLQDKSAQU-PBHICJAKSA-N 322.424 2.800 0 50 DFAA CSc1nc(C(=O)N(C)CCC[C@@H]2CCCO2)cs1 220581578 FTNPCTKBQMXGRC-SNVBAGLBSA-N 300.449 2.896 0 50 DFAA Cc1cccnc1CNc1cc(C2CC(N)C2)nc(C2CC2)n1 223483683 MMFAQTCKCXLYQM-UHFFFAOYSA-N 309.417 2.874 0 50 DFAA CCCc1nc(C(=O)N(C)CCc2noc(C(C)C)n2)cs1 91444869 KPJANEAQJPBZER-UHFFFAOYSA-N 322.434 2.917 0 50 DFAA Cc1nsc(NC(=O)NCc2cn[nH]c2-c2cccs2)n1 142525762 HGHVLPAKMKUDNP-UHFFFAOYSA-N 320.403 2.620 0 50 DFAA CN1CCC[C@]2(CCN(c3ccc(C(F)(F)F)cn3)C2)C1=O 91966522 WKFSSTURGSVKRF-CQSZACIVSA-N 313.323 2.549 0 50 DFAA COc1ccc(NC(=O)N2CCCCCCC2)cc1C(N)=O 97711635 HVTJJAAEMPFUEF-UHFFFAOYSA-N 305.378 2.592 0 50 DFAA CC1(C)CN(C(=O)c2cc(-c3ccccc3)no2)C[C@@]1(C)O 91320559 KFJXCQUQYMIYQU-QGZVFWFLSA-N 300.358 2.575 0 50 DFAA CCn1ncnc1[C@H](NC(=O)Cn1ccc2ccccc21)C1CC1 426387908 YMEMKNSGSFKPIW-QGZVFWFLSA-N 323.400 2.520 0 50 DFAA Cc1nc(C)c(S(=O)(=O)Nc2ccc3c(c2)COC3)s1 180090485 YZUGEHXTRJAPCN-UHFFFAOYSA-N 310.400 2.591 0 50 DFAA Cc1ccc2c(c1)[C@@H](NCC1CCS(=O)(=O)CC1)[C@@H](C)C2 181024890 NKLYUJFNYQZTGZ-GUYCJALGSA-N 307.459 2.643 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1nnc(-c2ccco2)o1 244796002 RRBDZNLEXNDESW-ZDUSSCGKSA-N 314.345 2.544 0 50 DFAA Cc1nccc(N2CCN(Cc3cccc(Cl)c3F)CC2)n1 184768887 MUWOFKNVTAMBCU-UHFFFAOYSA-N 320.799 2.900 0 50 DFAA O=C(NCc1cccc(CN2CCCC2)c1)c1cncs1 252489464 JRMZPMXCTZSJOC-UHFFFAOYSA-N 301.415 2.669 0 50 DFAA CN(Cc1cccc(C(=O)O)c1)Cc1noc(C2CCC2)n1 534651132 LIHVHFRXTWMJDI-UHFFFAOYSA-N 301.346 2.667 0 50 DFAA C[C@H](CN1CCN(C)CC1)NCC1(c2ccc(Cl)cc2)CC1 534590722 KMBLNJMYFSOFNT-OAHLLOKOSA-N 321.896 2.597 0 50 DFAA CCn1c(C)cc(C(=O)N[C@@H](c2nccn2C)C(C)C)c1C 534632216 ZZWACXQWEWKEDE-OAHLLOKOSA-N 302.422 2.985 0 50 DFAA O=C(NCCCc1ccco1)N1CCCC[C@@H]1CN1CCCC1 534575202 SZXKTDWZZLPKOG-MRXNPFEDSA-N 319.449 2.872 0 50 DFAA Cc1cc(C)c(NC(=O)NCCn2nc(C)nc2C)c(C)c1 299770057 OOJFAKMNZPOMOT-UHFFFAOYSA-N 301.394 2.642 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCOC2)ccc1NC(=O)C(C)(C)C 827778518 FAVXEIYRPIXDFF-GFCCVEGCSA-N 304.390 2.955 0 50 DFAA CC1(C)CC(CC(=O)N2CCC(CCO)CC2)CC(C)(C)N1 828743124 BMFLHCKGJJKPQQ-UHFFFAOYSA-N 310.482 2.554 0 50 DFAA C[C@](O)(c1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1)C(F)(F)F 1875381184 MQSNSXGIBCNKHR-KPHUOKFYSA-N 315.335 2.929 0 50 DFAA O=C(NCc1ccc2cc(O)ccc2c1)c1nc(C2CC2)no1 1875345145 TWCQTTGARWVEHN-UHFFFAOYSA-N 309.325 2.736 0 50 DFAA CCCn1cc(CNc2ccnc(Cc3ccccc3)n2)nn1 952991618 CCNJHZDBFLEUTH-UHFFFAOYSA-N 308.389 2.681 0 50 DFAA Cc1nc(SCC(=O)Nc2ncc[nH]2)n(CC(C)C)c1C 952994710 HREAQUKXASBDES-UHFFFAOYSA-N 307.423 2.610 0 50 DFAA CC1(C)CCc2onc(C(=O)N3CCCC[C@H]3CC(=O)O)c2C1 872718252 MHUJBWOYQLDATD-NSHDSACASA-N 320.389 2.659 0 50 DFAA O=C(Nc1ccc(F)nc1)c1ncc(OCC2CC2)cc1F 1875280531 TWGZHDUYGPXROR-UHFFFAOYSA-N 305.284 2.796 0 50 DFAA Cc1cc(C)n(CCNc2ncnc3cc(F)c(F)cc23)n1 1162143531 LLOYNBZUMQJNHG-UHFFFAOYSA-N 303.316 2.833 0 50 DFAA C=CS(=O)(=O)CCC(=O)Nc1ccc2oc(C)c(C)c2c1 952883217 YXILLFRHHXVSMN-UHFFFAOYSA-N 307.371 2.937 0 50 DFAA C[C@H](O)c1ncc(CNc2nc3cc(F)ccc3n2C)s1 1179810777 QJFBXLLVZPISGZ-QMMMGPOBSA-N 306.366 2.834 0 50 DFAA C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc(C(F)(F)F)n[nH]1 1776003844 IHUKPGQKDGQGQO-FFVOIRBGSA-N 311.373 2.626 0 50 DFAA O[C@@H]1CCCC[C@H]1NC1CCN(CCc2ccc(F)cc2)CC1 186788439 LFQQNXCCWACPSN-RTBURBONSA-N 320.452 2.726 0 50 DFAA Cn1c([C@H]2CCCN2c2ncc(F)cn2)nc2c1CCCC2 275621702 MJIPWNBPOFURGA-CQSZACIVSA-N 301.369 2.570 0 50 DFAA C[S@](=O)Cc1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 169987669 CFIFFWNHAFCHRN-QFIPXVFZSA-N 323.414 2.539 0 50 DFAA C[C@@H](NC(=O)[C@H]1CCC(=O)N1C)c1cc2ccccc2s1 189603714 BFVRZRRLVUIEOA-ZYHUDNBSSA-N 302.399 2.699 0 50 DFAA CCc1nnc(CN2CCc3cc(Br)ccc3C2)o1 192255895 QLVORNVXXIRVFW-UHFFFAOYSA-N 322.206 2.953 0 50 DFAA COc1ccccc1Cn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 664096399 OZEWGVCCGRFMPZ-HNNXBMFYSA-N 313.401 2.898 0 50 DFAA O=C1C[C@]2(CCN(Cc3cscn3)C2)Oc2ccccc21 585087178 NFJNWLMDRQFHHX-INIZCTEOSA-N 300.383 2.753 0 50 DFAA Nc1ccc(F)c(NC(=O)CCN2CCC(=C(F)F)CC2)c1 585116229 MRWMXEZWIBAGEA-UHFFFAOYSA-N 313.323 2.983 0 50 DFAA CCOc1ccc(CN2CC[C@H]([C@H]3CCCO3)[C@H]2C(=O)O)cc1 1616036608 ZBFGEPDMNAIIJV-ZACQAIPSSA-N 319.401 2.539 0 50 DFAA C[C@@H](CC(F)(F)F)N1CCC(c2ccn(C)c(=O)c2)CC1 1772819140 FVORTGREAMCTME-NSHDSACASA-N 302.340 2.906 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1ccc2c[nH]nc2n1 1775978078 MXEARYRLFSFDII-SNVBAGLBSA-N 313.386 2.530 0 50 DFAA CC(=O)NCCOc1cccc(-c2cnc3ccccc3n2)c1 1775980717 IJNLRDZOFDQGRI-UHFFFAOYSA-N 307.353 2.812 0 50 DFAA COc1cc(CN[C@@H]2CC(=O)N(CC(C)(C)C)C2)ccc1F 11698460 NKVUPJFFLWMXOM-CYBMUJFWSA-N 308.397 2.571 0 50 DFAA CCOc1cccc(CNCCO)c1OCc1ccccc1F 13729887 VLVLLUSYHKIEHQ-UHFFFAOYSA-N 319.376 2.885 0 50 DFAA c1cnc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1 19536372 WGLZLHIISCSIPH-UHFFFAOYSA-N 304.397 2.952 0 50 DFAA C[C@@H](O)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816391 XMVLHWRZPWCXRO-GOSISDBHSA-N 318.492 2.538 0 50 DFAA CC(C)(C)c1ccc2oc(N3CCN4CCOC[C@H]4C3)nc2c1 1857680385 LVDJGVPEQWMSDG-CQSZACIVSA-N 315.417 2.646 0 50 DFAA COc1ccc(CN2CCC[C@]3(CCc4c[nH]nc43)C2)cc1O 1857706811 RJHXAXNWQAGOKP-SFHVURJKSA-N 313.401 2.604 0 50 DFAA O=C(O)c1cc(Sc2ccc(O)c(C(=O)O)c2)ccc1O 4760059 DWMJRSPNFCPIQN-UHFFFAOYSA-N 306.295 2.645 0 50 DFAA in-vitro CCOc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 236915431 OOBMEAALNXZWSV-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA COc1ccc(-c2csc(CNC(=O)C(C)(C)N)c2)cc1 237291135 MVUOQIOITFVWTK-UHFFFAOYSA-N 304.415 2.777 0 50 DFAA COC[C@@H](C)C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 262945328 NXTZUDORGMVDFH-UKRRQHHQSA-N 322.474 2.501 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1noc([C@@H]2CCCO2)n1 496834782 LUQMNBPYYIGPDJ-NEPJUHHUSA-N 323.393 2.863 0 50 DFAA O[C@@H](CN[C@H]1CCOc2ccc(F)cc21)c1ccc(F)cn1 819048681 OSTOIURTOVKLOV-ZFWWWQNUSA-N 306.312 2.507 0 50 DFAA CC(C)(C)c1nc(Cn2cc(C[C@@H](O)C(C)(C)C)nn2)co1 900594268 ZNCAMGRMTUODKZ-CYBMUJFWSA-N 306.410 2.561 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1Br 375998 DUPYRBZNAGARFK-VIFPVBQESA-N 320.190 2.774 0 50 DFAA CNC(=O)c1ccc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)nc1 2325733957 CCCVCPQZVXOYRP-SWLSCSKDSA-N 313.376 2.963 0 50 DFAA O=C(N=c1[nH][nH]cc1C1CC1)Nc1cc(Br)ccn1 2325754759 IYFOBUOSYIDJBX-UHFFFAOYSA-N 322.166 2.511 0 50 DFAA CCn1nccc1CN1CCN(c2ccnc3ccccc23)CC1 2325771886 YHWFPBRIZRMXHK-UHFFFAOYSA-N 321.428 2.773 0 50 DFAA C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)[C@@H]1CNCC12CCCC2 2325778732 MLJFVKJHARNDOJ-WOPDTQHZSA-N 304.356 2.566 0 50 DFAA COc1ccccc1OC(=O)Cn1c(=O)sc2ccccc21 42301 RSNVVGVUOUIJCV-UHFFFAOYSA-N 315.350 2.677 0 50 DFAA Cc1cc(=O)oc2c3c(cc(OCC(=O)O)c12)OC(C)(C)CC3 2126848 HUCGRVDDOLCARB-UHFFFAOYSA-N 318.325 2.668 0 50 DFAA biogenic O=C(NCCCNC(=O)c1cccc(F)c1)c1cccc(F)c1 2898409 XRZIQOOIXFJFNE-UHFFFAOYSA-N 318.323 2.515 0 50 DFAA COc1ccc(OC)c2c(O)c(CN3CCCC3)c(C)nc12 8717353 CTQRZAITVBRFQD-UHFFFAOYSA-N 302.374 2.862 0 50 DFAA Cc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)cc1 10681997 RUISQFWPNLEBDO-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA CCc1noc(C)c1C(=O)N[C@@H](C)c1nncn1C1CCCC1 20449987 ZOLOUYOYXJTZQS-JTQLQIEISA-N 317.393 2.743 0 50 DFAA C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2CCCCc3ccccc32)C1 252486298 HZUBVICXMRBIBD-LXZKKBNFSA-N 302.418 2.866 0 50 DFAA CN1C[C@@H]2CN(c3ncc(Cl)cn3)C[C@H]2[C@@H]1c1ccccc1 252477393 NADNWASJJTXYGX-BMFZPTHFSA-N 314.820 2.869 0 50 DFAA O=C(N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1)C1(c2ccccc2)CC1 252511546 HWSBJUWEDHIAJQ-JQHSSLGASA-N 310.441 2.661 0 50 DFAA CC(C)CCN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 408159469 QXITUIXLVLGQMB-UHFFFAOYSA-N 318.417 2.792 0 50 DFAA Cc1cc(NC(=O)c2ccco2)n(-c2nc3ccccc3n2C)n1 22298972 SWNYBZGAZGPDNL-UHFFFAOYSA-N 321.340 2.913 0 50 DFAA COc1cccc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c1OC 67773107 YGTSBVVJDZHRMT-LBPRGKRZSA-N 317.389 2.877 0 50 DFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 67346 RVHIPMOQTHWTAO-CYBMUJFWSA-N 308.765 2.873 0 50 DFAA CC(C)c1nc(CN2C[C@H](c3ccccc3)OC[C@H]2C)n[nH]1 253432117 IWKMJTSFIMVEIG-UKRRQHHQSA-N 300.406 2.890 0 50 DFAA Cc1nn(C)c(C(=O)N[C@@H](C)CN(C(C)C)C(C)C)c1Cl 2781496 ZOWQAKNICKMDJB-NSHDSACASA-N 314.861 2.619 0 50 DFAA CNC(=O)c1cccc(CCNC(=O)c2ccc(C)c(C)c2)c1 121997039 FWLZCIFNWDTAGT-UHFFFAOYSA-N 310.397 2.636 0 50 DFAA COc1cccc([C@H](CC(=O)O)N2Cc3ccccc3C2=O)c1 5662024 UJSUOUOSPCOMNE-INIZCTEOSA-N 311.337 2.867 0 50 DFAA O=C(Cc1cccs1)N1CCCC[C@@H]1CCn1cccn1 77298003 VXEQJZWVYJSBHT-CQSZACIVSA-N 303.431 2.959 0 50 DFAA C[C@@H](c1nnc(O)[nH]1)n1ccnc1-c1coc(-c2ccccc2)n1 71764063 FUACWKACQXJLKU-JTQLQIEISA-N 322.328 2.638 0 50 DFAA CCCNCCNC(=O)COc1ccc(Cl)c2ccccc12 261851647 MLCJUYBHCMIJKI-UHFFFAOYSA-N 320.820 2.988 0 50 DFAA Cc1ccc2c(C)c(C(=O)N(C)C[C@H]3COCCO3)oc2c1C 77301360 RREOWBAWLXSTRU-AWEZNQCLSA-N 317.385 2.845 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)nn1 332253547 CQQYMJVOEGQXDD-GFCCVEGCSA-N 302.403 2.570 0 50 DFAA CSc1ccccc1C(=O)N(Cc1nccn1C)C1CC1 219880539 CJYPFONLGPKQSU-UHFFFAOYSA-N 301.415 2.947 0 50 DFAA CCN1CC[C@@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)C[C@H]1C 239352757 ADLBMWXQSMXSFM-CHWSQXEVSA-N 319.453 2.768 0 50 DFAA CN(Cc1cccn1C)C(=O)c1ccc(Cn2ccnc2)cc1 158628407 NERSINGZNQIJPD-UHFFFAOYSA-N 308.385 2.542 0 50 DFAA Cc1ccccc1COc1cccc(CC(=O)N2CC[C@@H](N)C2)c1 237753689 PSCLQYRXPALYHS-GOSISDBHSA-N 324.424 2.676 0 50 DFAA Cc1ccc(F)cc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F 288678552 UDKIKGXAUXHMMX-LLVKDONJSA-N 311.300 2.753 0 50 DFAA O=C(Nc1ccc2[nH]cnc2c1)[C@@H]1CC(=O)N(c2ccccc2)C1 40268338 DNWLKNNRBZEXPU-GFCCVEGCSA-N 320.352 2.555 0 50 DFAA O=C(O)[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc21 177481706 AOBXRZYARPWUHA-AWEZNQCLSA-N 306.321 2.997 0 50 DFAA Cc1csc([C@H]2CN(C[C@@H](O)c3ccccc3)CCO2)n1 222188928 LHSMCXJQBDEULT-HUUCEWRRSA-N 304.415 2.558 0 50 DFAA COc1cccc2c1CC[C@H]2NC(=O)c1ccc(C(=O)O)s1 263482588 AYFQBHGGRVELGV-LLVKDONJSA-N 317.366 2.872 0 50 DFAA C[C@@H](c1nc(C2CC2)no1)N1CCO[C@@H](c2nccs2)C1 222213700 TXSNFKIFIDJUEW-GXSJLCMTSA-N 306.391 2.538 0 50 DFAA CSc1cc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)ccn1 177900632 QQKWXSLUUMFMPU-UKRRQHHQSA-N 308.447 2.985 0 50 DFAA O=C(NC[C@H]1CCCC(F)(F)C1)c1nnc2ccccc2n1 291532545 KKRQSKDBLSRIHW-JTQLQIEISA-N 306.316 2.580 0 50 DFAA CNC[C@H]1CCN(C(=O)CCCOc2ccc(C)c(C)c2)C1 179029365 MOUKWEWBIDVNNB-MRXNPFEDSA-N 304.434 2.530 0 50 DFAA C[C@@H](c1ccc(-c2cnn(-c3nn[nH]n3)c2)cc1)N1CCCCC1 426503225 FZDDNMJJHFMZNB-ZDUSSCGKSA-N 323.404 2.599 0 50 DFAA Cc1cnc(C)c(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 82146348 XDMSAJCFBUVDDB-GOSISDBHSA-N 316.449 2.711 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)NCc1cc(C2CC2)on1 91694625 QWBPWPHNRSCMJM-UHFFFAOYSA-N 302.378 2.822 0 50 DFAA c1cncc(-c2ccnc(NCCc3ccc4c(c3)OCO4)n2)c1 96149329 OCSLJSFSLUTUHW-UHFFFAOYSA-N 320.352 2.922 0 50 DFAA c1ccc2c(c1)C[C@@H](CN1CC(N3CCCCC3)C1)CCO2 95510824 KRWUIGNVINROBL-INIZCTEOSA-N 300.446 2.798 0 50 DFAA c1cnc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc1 91907894 XKJBZJBWYAFJHS-MRXNPFEDSA-N 320.400 2.500 0 50 DFAA Cc1cc(C)c(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)cn1 95381182 DMHMUFPZOMKDJL-KRWDZBQOSA-N 315.392 2.757 0 50 DFAA COc1ccccc1[C@@H]1CCN(C(=O)c2cnc(C3CC3)nc2)C1 295778899 JDQXEJALZIXINL-CQSZACIVSA-N 323.396 2.992 0 50 DFAA COCc1noc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)n1 183066116 MYGMLHWDHNQVJC-JTQLQIEISA-N 316.361 2.664 0 50 DFAA O[C@]1(CN[C@H](c2ccncc2)c2ccc(F)cc2)CCSC1 183696910 FJBRFCCLEZDMGX-IRXDYDNUSA-N 318.417 2.768 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1F 299741557 GIDFMGQFDLHTGQ-ZDUSSCGKSA-N 311.328 2.753 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)N(C)Cc1ccccc1 534651134 NFKLYVOCLLKKLF-CYBMUJFWSA-N 301.394 2.591 0 50 DFAA CCNS(=O)(=O)c1ccc(Br)c2ccccc12 529281 HSOVADNMRMVYPG-UHFFFAOYSA-N 314.204 2.901 0 50 DFAA CC(C)(C)CC1(NC(=O)NC[C@@H](O)c2ccc(O)cc2)CC1 584904225 RVZQASKKOMKEQT-CQSZACIVSA-N 306.406 2.694 0 50 DFAA O=C(OCC1CCC2(CC1)OCCO2)c1ccc2nc[nH]c2c1 864085694 BOSBNUGKMRBHHC-UHFFFAOYSA-N 316.357 2.653 0 50 DFAA C[C@@H](CCn1cccn1)N1CCC(Oc2ccncc2)CC1 584891015 YKQDLGKUZPAKFH-HNNXBMFYSA-N 300.406 2.600 0 50 DFAA 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313.810 2.864 0 50 DFAA COc1ncc(C)cc1NC(=O)Nc1cc([C@H]2C[C@H]2C)n[nH]1 192275355 JMMWKNBQHGWDSY-ZJUUUORDSA-N 301.350 2.889 0 50 DFAA CCOc1nc(N[C@@H](CO)c2cccc(F)c2)ncc1Cl 651316973 AFFJITCLICRLTA-LBPRGKRZSA-N 311.744 2.813 0 50 DFAA CSCC1(CC(=O)Nc2cccc(-c3cn(C)nn3)c2)CC1 598399968 VEWPLXMEPGEBRG-UHFFFAOYSA-N 316.430 2.954 0 50 DFAA Cc1csc(=O)n1CCc1nc([C@@H]2CC2(Cl)Cl)no1 585120483 PXMLOOFLMWNKAT-ZETCQYMHSA-N 320.201 2.505 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3c(C)cccc3Cl)C[C@H]2O)n[nH]1 1529158567 GNUGIGJMBZWDMK-CXAGYDPISA-N 319.836 2.715 0 50 DFAA CO[C@@H]1C[C@H](C(=O)NC2(c3cccc(Cl)c3)CC2)CC[C@@H]1O 1704329719 BRNANXFTNBZTHL-BYCMXARLSA-N 323.820 2.621 0 50 DFAA CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCN[C@@H]1C1CC1 1615044401 BRSQSKHDILZRQZ-GDBMZVCRSA-N 308.372 2.701 0 50 DFAA c1ccc2c(CN3CCN4[C@H](COC[C@H]4C4CC4)C3)ccnc2c1 1615955894 UXNWAUHPINEYTL-PXNSSMCTSA-N 323.440 2.530 0 50 DFAA CCn1cncc1[C@@H]1CCCCN1C(=O)Nc1conc1C 1616035112 RIGLSNGXPCXRPJ-ZDUSSCGKSA-N 303.366 2.959 0 50 DFAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cc(O)ccc1F 1772706578 FIEQYTDXHNXVEO-LBPRGKRZSA-N 314.238 2.960 0 50 DFAA Cc1ccc(C(C)C)c(OCCSc2nc(N)cc(=O)[nH]2)c1 16527218 BMQWSOUEDILQQA-UHFFFAOYSA-N 319.430 2.955 0 50 DFAA CC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C 16652511 AXQJBJVRTXMCIQ-UHFFFAOYSA-N 300.406 2.764 0 50 DFAA CN(CC(C)(C)CO)[C@@H]1CCCN(Cc2ccccc2F)C1 19771137 RKPQRQBAZOGFNF-MRXNPFEDSA-N 308.441 2.740 0 50 DFAA C[C@@]1(C(=O)NCc2ccc3c(c2)CCCC3)CC12CCNCC2 1857704847 IDNFXIGMMZFSLM-IBGZPJMESA-N 312.457 2.961 0 50 DFAA CCc1cc(=O)oc2cc(O[C@H](C)C(=O)OC)c(Cl)cc12 315018 JGJCHLIMEIMQPD-MRVPVSSYSA-N 310.733 2.949 0 50 DFAA CCO[C@H]1C[C@@H](N2CCN(Cc3c(C)noc3C)CC2)C1(C)C 408518995 QQVZAFGBDGLQSM-SJORKVTESA-N 321.465 2.613 0 50 DFAA CC(C)(C)OCc1cc(C(=O)NC[C@@]2(O)CCCC2(C)C)no1 355817710 WIFCZOMBHAAXBA-KRWDZBQOSA-N 324.421 2.661 0 50 DFAA NC(=O)c1csc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 481751202 AAMQIIYZNCPCFA-MJHDQNEOSA-N 318.373 2.662 0 50 DFAA Cc1cnc(N2CCN(C(=O)c3cccc(F)c3)CC2)s1 265453390 LKAFRWVMWYUBEF-UHFFFAOYSA-N 305.378 2.553 0 50 DFAA COc1cnc(NC(=O)N[C@H](c2ccccn2)C2CC2)s1 931283416 BECJDTSFJSNVRL-LBPRGKRZSA-N 304.375 2.820 0 50 DFAA O=C1C[C@H](C(=O)NCCc2ccccc2)C2(CCCCC2)O1 32918 RDXFUIAZNDNHLE-OAHLLOKOSA-N 301.386 2.611 0 50 DFAA CCOC(=O)[C@@H]1NN=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 4523986 OGJZLTVZFUIVRC-NVXWUHKLSA-N 322.364 2.544 0 50 DFAA COc1cc2c(c(NC(=O)c3ccoc3C)c1OC)C(=O)OC2 12372516 PFHYNRPYBYAIBK-UHFFFAOYSA-N 317.297 2.528 0 50 DFAA biogenic,in-vitro CN(C)c1nnc(CN2CCc3ccc(C(C)(C)C)cc3C2)o1 2325735054 GYIFUTKVJFBVTG-UHFFFAOYSA-N 314.433 2.991 0 50 DFAA O=C(NC[C@H]1NCCc2ccccc21)c1ccc2cccnc2c1 2325767219 FVXXPJDTPUXJJZ-LJQANCHMSA-N 317.392 2.852 0 50 DFAA CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)OC2(C)C)n1cccn1 2325781028 DLZDKFSOWPFDGI-AWEZNQCLSA-N 313.357 2.878 0 50 DFAA CC(C)CO[C@@H]1C[C@H](NC(=O)c2cccn3nccc23)C1(C)C 2325854779 UILKJZBRLAWPOL-JKSUJKDBSA-N 315.417 2.904 0 50 DFAA CCN1C[C@H](NC(=O)c2cnccc2C(F)(F)F)C(C)(C)C1 975086427 VNKXWXHLBQGPNJ-LBPRGKRZSA-N 315.339 2.561 0 50 DFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 195116 XHMRHHURCAQZLY-ZDUSSCGKSA-N 308.765 2.873 0 50 DFAA O=C(Nc1nccs1)c1ccccc1NC(=O)C(F)(F)F 453404 KUCONTQVMKQBSF-UHFFFAOYSA-N 315.276 2.896 0 50 DFAA CCOCCc1nnc(NC(=O)Nc2ccccc2OC)s1 2219242 AHVLDFJMCAARGC-UHFFFAOYSA-N 322.390 2.770 0 50 DFAA COc1ccc(Cc2nn3c(C(F)(F)F)nnc3s2)cc1 4487484 HCZBCHAVMXJIMA-UHFFFAOYSA-N 314.292 2.804 0 50 DFAA COc1ccccc1NC(=S)NCc1ccc2c(c1)OCO2 8683661 HJSKHLNCDVQKAX-UHFFFAOYSA-N 316.382 2.911 0 50 DFAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843604 FFJJJIZDSXBDGT-HIFRSBDPSA-N 320.408 2.983 0 50 DFAA CCCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 55082772 KHWBIYWUKRVELN-JXMROGBWSA-N 301.434 2.827 0 50 DFAA COc1cc2c3c(c1)n(CC(=O)c1ccccc1)c(=N)n3CCC2 102196065 VGFXYMGJYNVVLH-UHFFFAOYSA-N 321.380 2.760 0 50 DFAA CC(=O)c1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)cc1 23312342 AUOVZNLTFWTMQI-UHFFFAOYSA-N 319.364 2.905 0 50 DFAA CCc1ccc([C@@H]2CC(=O)NCc3nc4sccn4c32)o1 65530450 CKXYTKMXMHTXDT-JTQLQIEISA-N 301.371 2.703 0 50 DFAA O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2[nH]ncc2C1 124475175 JGKDCNDCKIUQMZ-UHFFFAOYSA-N 309.291 2.556 0 50 DFAA NC(=O)COc1ccc2c(Cc3ccc(Cl)cc3)noc2c1 20745370 FNWGYOYDIUPPIS-UHFFFAOYSA-N 316.744 2.936 0 50 DFAA C[C@@H](c1ncn[nH]1)n1cnc(-c2ccccc2)c1-c1c[nH]cn1 67740356 LMIHLHUHOOWHHJ-NSHDSACASA-N 305.345 2.668 0 50 DFAA C[C@H](CCc1cccn1C)NC(=O)[C@H](O)c1ccccc1Cl 119538672 MKILYJNURKHLQE-MLGOLLRUSA-N 320.820 2.849 0 50 DFAA CC[C@]1(C(=O)Nc2cnn(-c3ccccc3F)c2C)CCCN1 423824847 KATPETYFDWQTGX-QGZVFWFLSA-N 316.380 2.791 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)O)C2)o1 315928777 QQYUAPARBACIKT-ZZKJFQIUSA-N 303.358 2.739 0 50 DFAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2)c1 102673 ZYOPCYFVPCXDGF-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCc2cc(F)ccc2[C@H]1C 253370804 WMPWHDPVTHEGRD-XFBWCDHKSA-N 319.376 2.861 0 50 DFAA C[C@@H]1CC(CCn2c(-c3cnccn3)noc2=O)C[C@@H](C)C1 122271190 INVSGOSRFSYXFW-RYUDHWBXSA-N 302.378 2.756 0 50 DFAA 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305.297 2.865 0 50 DFAA CCCSCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1C 82147736 PRYRSQZQUGJEBJ-CQSZACIVSA-N 320.458 2.702 0 50 DFAA COc1ccccc1CNC(=O)[C@](C)(O)[C@H](C)c1ccccc1 177794367 OJGXOIZFSVOMAQ-AUUYWEPGSA-N 313.397 2.866 0 50 DFAA COc1cccc(C2(F)CCN(C(=O)[C@@H]3CCCOC3)CC2)c1 225597037 JHWVOFQTSWYQGN-CQSZACIVSA-N 321.392 2.909 0 50 DFAA Cc1cccc(N2CCC(NC(=O)C[C@H]3CCOC3)CC2)c1 426620256 PDOWTFIKORSMKE-OAHLLOKOSA-N 302.418 2.507 0 50 DFAA Cc1cc(C(=O)N(C)[C@H](C)C2CC2)cc(C)c1OCC(=O)O 237476535 QIUVXKNSDBCXHP-GFCCVEGCSA-N 305.374 2.637 0 50 DFAA O=C(CNC(=O)c1cccc(Cl)c1)N[C@H]1CC12CCCCC2 180788917 MXQUNDDHRUPHFC-AWEZNQCLSA-N 320.820 2.909 0 50 DFAA CNC[C@@H]1CCCN(C(=O)[C@H](C)Oc2cc(C)ccc2Cl)C1 237188812 DLIOWFGCRNWAKV-KBPBESRZSA-N 324.852 2.874 0 50 DFAA COC(C)(C)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCCC1 97713505 HGRXCOAQZLXKRI-HNNXBMFYSA-N 308.397 2.504 0 50 DFAA O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)c1cc2ccccc2[nH]1 245327250 NUBMWSNTHYFSAV-HAQNSBGRSA-N 300.358 2.789 0 50 DFAA CCn1nc(CNC(=O)CN(C)C2CCCC2)c2ccccc21 252488555 IUPYAJRMECPCTE-UHFFFAOYSA-N 314.433 2.547 0 50 DFAA CC[C@@H](NC(=O)c1cc2cc(C)ccn2n1)c1nccs1 534629938 MVIJOKTWXMYOGC-GFCCVEGCSA-N 300.387 2.980 0 50 DFAA CCn1nc(Cc2ccccc2OC)nc1[C@@H](O)CC(C)C 824821924 ZYDGJCOTRSNTMD-AWEZNQCLSA-N 303.406 2.977 0 50 DFAA CN(Cc1cc(-c2ccccc2)on1)C(=O)CCCn1cccn1 584893978 YPAYFWNTPLFHPM-UHFFFAOYSA-N 324.384 2.977 0 50 DFAA CN(CCCn1cccn1)Cc1ccc(-c2cc[nH]n2)s1 670445296 QDTRWXBOKVSSEU-UHFFFAOYSA-N 301.419 2.857 0 50 DFAA Cc1cccc([C@H](C)CNC(=O)c2cncc(C(=O)O)c2C)c1 1875277500 OEHPUHKDBZMCOP-GFCCVEGCSA-N 312.369 2.930 0 50 DFAA Oc1n[nH]c(CNC[C@@H]2CC2(c2ccccc2)c2ccccc2)n1 952963676 LICAJBFAKYSUIM-INIZCTEOSA-N 320.396 2.606 0 50 DFAA CC(C)Oc1cccc(CCNC(=O)[C@@H]2CC(C(C)C)=NO2)c1 952873270 YCNAVGRCTQBZOU-KRWDZBQOSA-N 318.417 2.933 0 50 DFAA Brc1cccnc1-c1nnc([C@H]2CCCOC2)o1 886084666 WUGKREKLUOQBOD-QMMMGPOBSA-N 310.151 2.788 0 50 DFAA CC1=C(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CCC(C)(C)C1 888095344 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C[C@]1(c2ccccc2)CN(C(=O)C2(c3ccccn3)CC2)CCO1 585131845 HPXPJNPXDMMWSI-LJQANCHMSA-N 322.408 2.887 0 50 DFAA CC(C)N1CCC[C@@H]1C(=O)Nc1c(-c2ccccc2)ncn1C 1615040059 FCRHFWVQXIRHHO-OAHLLOKOSA-N 312.417 2.898 0 50 DFAA Cc1nc(NC[C@H](CO)Cc2ccco2)c2ccsc2n1 1772706609 GIHGMWYLMSBRBV-LLVKDONJSA-N 303.387 2.856 0 50 DFAA c1cnc2n[nH]c(-c3nccn3-c3ccc4c(c3)COC4)c2c1 1772812347 GICHKLBBPLLXEM-UHFFFAOYSA-N 303.325 2.841 0 50 DFAA CCCN1CC(=O)N(C(C)C)C[C@H](OCc2ccc(F)cc2)C1 14754130 NIPFLTLBDRQGQP-QGZVFWFLSA-N 322.424 2.674 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2cccc(C)c2)cc1OC 16579429 JRAUOQOGFJVCJQ-UHFFFAOYSA-N 321.398 2.954 0 50 DFAA Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)cc1Cl 18066830 WJMNLFMWXMZTDU-TXEJJXNPSA-N 317.838 2.755 0 50 DFAA CC(C)[C@H]1CN2C[C@H](N=c3[nH]c4ccccc4s3)C[C@H]2CO1 1857682531 MORBYIOAWXUBGM-VNHYZAJKSA-N 317.458 2.628 0 50 DFAA Cc1ccn(C)c1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 375545194 JSCZXLJCTKDMOS-ZDUSSCGKSA-N 314.389 2.614 0 50 DFAA Cn1cncc1CC(=O)N1CCSc2ccc(Cl)cc21 585126441 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OC[C@@H]1CCCCN1C1CCN(CCc2ccccc2)CC1 757722 OMZWBQCUDFGCOD-IBGZPJMESA-N 302.462 2.540 0 50 DFAA Cc1cc(C)nc(-n2ncc3c2C[C@@H](c2ccco2)CC3=O)n1 2203530 MUFOTAJNYSEIPF-GFCCVEGCSA-N 308.341 2.785 0 50 DFAA CCN(CC)C(=O)COc1ccc2c(C)cc(=O)oc2c1C 2840509 LFVZVIPLKTUWSS-UHFFFAOYSA-N 303.358 2.657 0 50 DFAA Cc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1Cl 4973655 MLKDYYMCRBQFAS-UHFFFAOYSA-N 310.806 2.830 0 50 DFAA Cc1c(C)n(Cc2ccco2)c2ncnc(NCCC(=O)O)c12 9970660 YXNOWCCGXKVDAV-UHFFFAOYSA-N 314.345 2.576 0 50 DFAA CC[C@H](CO)N(Cc1cccs1)Cc1cccnc1NC 55358503 JWCFCTFXEYZQAL-CQSZACIVSA-N 305.447 2.958 0 50 DFAA O=c1[nH]c(=O)c2c(-c3ccc(-c4ccccc4)cc3)ccnc2[nH]1 10338995 XXGNWBRYGMEVCC-UHFFFAOYSA-N 315.332 2.945 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N[C@H]1C[C@H]2CCCCN2C1=O 331795130 UCOADYXLNUDMLR-OCCSQVGLSA-N 304.390 2.595 0 50 DFAA CCCc1ccc(CN2CCN(c3ncnc(C)c3C)CC2)o1 214973106 HGVSDBXALTWXAM-UHFFFAOYSA-N 314.433 2.961 0 50 DFAA Cc1nc([C@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)CCO2)no1 329518205 DXWHGVWJBZYIDC-UONOGXRCSA-N 321.421 2.884 0 50 DFAA c1ccc(N2CCC(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)nc1 253369545 DWTFPNBKRIIDIQ-CGTJXYLNSA-N 313.445 2.598 0 50 DFAA Cc1nn(C)c(C)c1CNC(=O)N1CCc2ccc(Cl)cc21 173478575 KSWQMCJFNDIQJH-UHFFFAOYSA-N 318.808 2.963 0 50 DFAA Cc1ccc(-c2noc(CN(C)C[C@@H]3CCOC3)n2)cc1F 361942558 WUHRNEPPCPKAMG-LBPRGKRZSA-N 305.353 2.652 0 50 DFAA CC(C)c1cccc(C(=O)NCc2ccc(-n3ccnc3)nc2)n1 363850045 ARZFEGJROGQTDI-UHFFFAOYSA-N 321.384 2.716 0 50 DFAA O[C@H]1CCN(Cc2cnnn2-c2ccccc2)Cc2ccccc21 367992806 FWXRSTMIZPRYBX-IBGZPJMESA-N 320.396 2.707 0 50 DFAA CN1CC[C@H](NC(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 245922200 SVSLINGADLMBPZ-JKSUJKDBSA-N 315.804 2.910 0 50 DFAA O=C(CCc1cccnc1)N1CC(c2nc3ccccc3[nH]2)C1 215223712 PQWUOLYIEBHOAP-UHFFFAOYSA-N 306.369 2.517 0 50 DFAA CN(C(=O)c1ccc(Br)cc1)[C@@H]1CCCC[C@H]1O 10543094 GHIWGGQXHIQCHW-CHWSQXEVSA-N 312.207 2.825 0 50 DFAA O=C(O)C[C@@H](NC(=O)c1noc2c1CCCC2)c1cccs1 238186068 RJTSVQOAMSVWAP-SNVBAGLBSA-N 320.370 2.561 0 50 DFAA CC(C)=CCC[C@H](C)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 285013179 ZHTOGYZFIDKIJJ-HDMKZQKVSA-N 318.465 2.807 0 50 DFAA CC1(C)C[C@H](NC(=O)c2ncsc2Br)CCO1 288315141 YSCGIMSZJZPCSJ-SSDOTTSWSA-N 319.224 2.593 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1cncs1 41096416 NHHVLXZCVJKODR-UHFFFAOYSA-N 304.780 2.606 0 50 DFAA Cc1nc(NCc2cc(CC(C)C)no2)cc([C@H]2CCOC2)n1 426678263 ZAKAFQUYIAYLRF-ZDUSSCGKSA-N 316.405 3.088 0 50 DFAA Cc1n[nH]c(C)c1CCN1CCCC[C@H]1CCn1cccn1 426361692 NJIAZBYXZMGFTE-INIZCTEOSA-N 301.438 2.710 0 50 DFAA O=C(NC1CCCC1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 223143531 REVAOCKHTYAZDU-MHORFTMASA-N 314.429 2.874 0 50 DFAA C/C(=C\c1ccccc1)CN1CCO[C@H](Cn2cc(C)cn2)C1 179536165 ZPAZEHKIFAUQIV-XLCPLWEUSA-N 311.429 2.996 0 50 DFAA c1csc(Cc2nc(CNc3nnc(C4CC4)o3)no2)c1 95391995 OOJNFXXZFXSMJW-UHFFFAOYSA-N 303.347 2.594 0 50 DFAA CCc1ncc(C(=O)N[C@H]2CCCc3cc(OC)ccc32)cn1 95383054 VTWWOJDDCASWBZ-INIZCTEOSA-N 311.385 2.855 0 50 DFAA CCCc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)[nH]n1 91713604 OGGYGYPHXFNONT-LBPRGKRZSA-N 312.295 2.791 0 50 DFAA CSCC1CCN(C(=O)c2ccccc2-c2nc[nH]n2)CC1 97572146 YHXJOHGMLYNZRX-UHFFFAOYSA-N 316.430 2.687 0 50 DFAA COC(=O)C[C@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 95516808 PXBGLTQBERZSAY-SECBINFHSA-N 314.744 2.896 0 50 DFAA Cc1nc([C@H]2COCCO2)n(-c2cc(Cl)ccc2Cl)n1 96150004 QPBAJTNJYQIKPK-GFCCVEGCSA-N 314.172 2.970 0 50 DFAA C[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1O)C1=CCCCC1 91649861 BCDOPIAORFWPQB-GFCCVEGCSA-N 324.384 2.863 0 50 DFAA Cc1nc(CCCN2C[C@]3(CCOC3)CCC2=O)sc1C 91746798 UCEWIOALOLAXNL-MRXNPFEDSA-N 308.447 2.722 0 50 DFAA COc1ccc(OC)c2c1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@@]15C[C@@H](O)C=C[C@]35[C@@H]24 247925648 ZDMUPGIYZAKMAW-BEUXVXFBSA-N 308.377 2.697 0 50 DFAA Cc1cnccc1CN(C)CC1(N2CCOCC2)CCCCC1 244773959 PJKFBLPHANDESI-UHFFFAOYSA-N 317.477 2.857 0 50 DFAA COc1ccc(F)c(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1 623770471 LYOCKJSVBXFQMI-YVEFUNNKSA-N 319.380 2.815 0 50 DFAA O=C(O)C[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 299745599 RIFJIWOVBQISSN-LLVKDONJSA-N 311.328 2.611 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CCC2=O 253370544 SGYCSWPEAHDOHE-CWTKERLFSA-N 304.430 2.852 0 50 DFAA C[C@H](Cn1cccn1)NC1CCN(CCc2ccccc2)CC1 274153643 ZMEFBGKLOIKYQA-QGZVFWFLSA-N 312.461 2.568 0 50 DFAA CCN(CCOc1ccccc1C)C(=O)N[C@@H](C(=O)O)C(C)C 823056113 OXMZGRDHVOPPBP-OAHLLOKOSA-N 322.405 2.515 0 50 DFAA Nc1c(Br)cc(C(=O)O)cc1OC(F)(F)F 145720002 YEGWMUCMRMMEHU-UHFFFAOYSA-N 300.030 2.628 0 50 DFAA Cc1oc(CN(C)C(=O)CC[C@H]2CC[C@@H](C)O2)cc1C(=O)O 268936580 OEVIXZZPWMYGLD-ZYHUDNBSSA-N 309.362 2.592 0 50 DFAA O=C(NCc1ccc2nsnc2c1)c1ccc2c(c1)CCO2 670437976 WFROMLOFWPIRPG-UHFFFAOYSA-N 311.366 2.556 0 50 DFAA COC[C@@H](C)C1CCN(C(=O)CCN2CCCCCC2)CC1 670461431 SIMKFVUIRVWHEB-MRXNPFEDSA-N 310.482 2.774 0 50 DFAA Cc1cc(CN(C)C(=O)c2cccc([C@H]3CCOC3)c2)no1 270498873 MBMYCEISVZHQMN-HNNXBMFYSA-N 300.358 2.759 0 50 DFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC[C@H]2C[C@H]21 1875272196 XLJAOGLBIJMKJO-LSDHHAIUSA-N 323.396 2.705 0 50 DFAA c1cnc(OC2CCN(c3nc(C4CCC4)ns3)CC2)cn1 1875266123 IPULMQXYTQMHPX-UHFFFAOYSA-N 317.418 2.643 0 50 DFAA CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1 1875319370 ZMMLHBNYADHDPC-JONQDZQNSA-N 301.434 2.730 0 50 DFAA COC(CNC(=O)c1ccc(Oc2cccc(C)c2)cn1)OC 1457287871 OFBSKHGQUHTUAK-UHFFFAOYSA-N 316.357 2.531 0 50 DFAA O=C(CCc1cn[nH]c1)NCCc1cccc(C(F)(F)F)c1 952968391 JOGDXGOATSHRBH-UHFFFAOYSA-N 311.307 2.720 0 50 DFAA CCC[C@H]1CN(C(=O)c2cccnc2SC)C[C@@H]1N(C)C 1565526338 LBQDCGOSZGKZKD-JSGCOSHPSA-N 307.463 2.606 0 50 DFAA O[C@@H](CN1CCC[C@H](c2ccncn2)C1)c1ccc(F)c(F)c1 1363200163 OBKSUZKUNXIWLN-GUYCJALGSA-N 319.355 2.668 0 50 DFAA Cc1cc(Br)cc(S(=O)(=O)N2CCCCC2)c1 38536938 JLUJPVCLBZIGRS-UHFFFAOYSA-N 318.236 2.932 0 50 DFAA in-vitro CCCOCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 274092437 ZWONIRDEVQLPAZ-GFCCVEGCSA-N 301.346 2.517 0 50 DFAA COc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1F 275364418 BJOUHVHNQOJRDN-HOCLYGCPSA-N 319.380 2.578 0 50 DFAA NC(=O)c1cccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1 275546269 MZLGQNBOXZIJOM-QGZVFWFLSA-N 324.428 2.725 0 50 DFAA CC(C)c1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)nc1 408224831 XMTRFUMDDGRKTG-CQSZACIVSA-N 316.323 2.734 0 50 DFAA CC(C)(C)OC(=O)Nc1ccoc1C(=O)NC[C@H]1CCCOC1 408520014 MENLRLVKCYYUOL-LLVKDONJSA-N 324.377 2.783 0 50 DFAA CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 171536487 PTDRJCBFPMKPNC-HNNXBMFYSA-N 314.389 2.683 0 50 DFAA CN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)c2ccccc21 172000453 OUEUCDILEXOKMM-GDNBJRDFSA-N 309.321 2.667 0 50 DFAA COc1cccc2c1CC[C@@H](Nc1ccc3c(c1)C(=O)NCC3)C2 683161132 VEDYPACXPYVOSN-OAHLLOKOSA-N 322.408 2.951 0 50 DFAA c1cn(CCCC2CCN(c3nnc(C4CC4)o3)CC2)cn1 683459330 IBJSZFUHTXPYBY-UHFFFAOYSA-N 301.394 2.840 0 50 DFAA CN1CCC2(CC1)CCN(C(=O)Cc1ccc(F)cc1Cl)C2 646250252 KXOJIPIMNXPECY-UHFFFAOYSA-N 324.827 2.966 0 50 DFAA Cc1cccc(F)c1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 742726090 HDCKFDYCHXRLLX-ZDUSSCGKSA-N 318.392 2.541 0 50 DFAA Cc1nc(-c2ccccc2NC(=O)c2cn3c(n2)CCCC3)no1 799309230 BMCCOFIIBKZISQ-UHFFFAOYSA-N 323.356 2.830 0 50 DFAA COc1cnc(NC(=O)c2cccn2Cc2ccncc2)s1 1635305455 PJYCGECURKNXIH-UHFFFAOYSA-N 314.370 2.649 0 50 DFAA Cc1nc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)cs1 12481343 KYFUGYQHADZTIC-AWEZNQCLSA-N 320.389 2.674 0 50 DFAA Cc1csc2ncc(C(=O)NC3CCCCCCC3)c(=O)n12 16651320 FPYNFKFXOSOUEW-UHFFFAOYSA-N 319.430 2.907 0 50 DFAA Cc1nc([C@H]2CCn3ncnc3C2)n(-c2cccc(C)c2C)n1 1857667066 GWNMNLJDWIYRKX-AWEZNQCLSA-N 308.389 2.514 0 50 DFAA c1cnc(N2CCC(n3ccnc3-c3ccncc3)CC2)nc1 1857672771 GTXBWWJGAMSDJO-UHFFFAOYSA-N 306.373 2.577 0 50 DFAA CC(C)NC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857701858 SGJGWMQYTJCBTI-UHFFFAOYSA-N 312.417 2.606 0 50 DFAA CN(C[C@@H]1CCS(=O)(=O)C1)c1ccnc2ccc(Cl)cc12 607147826 AZBZYNCPVDUMPL-NSHDSACASA-N 324.833 2.759 0 50 DFAA O=C(O)[C@@]12CCC[C@H]1CN(CCOc1cccc(Cl)c1)C2 262207805 SXFZXENJFGRRRB-BLLLJJGKSA-N 309.793 2.906 0 50 DFAA C[C@@H](NC(=O)Cc1ccsc1)c1ccc(OCC(=O)O)cc1 263118758 SBNOQSCRUSIQLV-LLVKDONJSA-N 319.382 2.631 0 50 DFAA CCN(C(=O)c1cccn1C)c1ccc(N2CCOCC2)cc1 824631788 QFFWOBQILBPCNB-UHFFFAOYSA-N 313.401 2.528 0 50 DFAA COc1cc(O)ncc1C(=O)N(Cc1ccco1)C1CCCC1 930481879 SNCPCAXIKKUXOB-UHFFFAOYSA-N 316.357 2.974 0 50 DFAA CCOC(=O)c1cnn2ccc(NC(=O)/C=C/C(C)C)cc12 1142656165 JWMXFBAVIURQNB-AATRIKPKSA-N 301.346 2.662 0 50 DFAA CO[C@H]1C[C@](NC(=O)c2sc3ccccc3c2C)(C(=O)O)C1 2325769830 UXRCVOVORFCTNK-RSVKCKOMSA-N 319.382 2.572 0 50 DFAA CC1(C)COC[C@@H](CSc2ncc(C3CCOCC3)[nH]2)O1 2325783740 YPFUXELHTNPVEN-LBPRGKRZSA-N 312.435 2.590 0 50 DFAA COc1ccnc([C@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)c1 2325802859 BLHLGDRBRUJGBZ-RYUDHWBXSA-N 310.344 2.842 0 50 DFAA CSc1c(F)cccc1C(=O)Nc1cnn2cccnc12 2325818607 MQBFOLWICKJNPO-UHFFFAOYSA-N 302.334 2.843 0 50 DFAA FC(F)(F)c1cncc(Oc2ccc(-n3cncn3)cc2)n1 2325870643 ITPCHZRDFHXZOA-UHFFFAOYSA-N 307.235 2.868 0 50 DFAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1COc3ccccc31)CC2 245339342 SDRGMRVIKCNEBW-ZOBUZTSGSA-N 314.429 2.636 0 50 DFAA O=S(=O)(c1ccc2ocnc2c1)c1ccc2ocnc2c1 207067 MAQBFMOLBGSCQE-UHFFFAOYSA-N 300.295 2.802 0 50 DFAA Cn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 412857 WAUCPECZORNHDH-UHFFFAOYSA-N 310.378 2.909 0 50 DFAA O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCCCC1 527707 OUEROUCUBCRUTQ-UHFFFAOYSA-N 315.417 2.945 0 50 DFAA CCCN1C(=O)c2ccc(C(=O)Nc3cccc(O)c3)cc2C1=O 619715 RBQRQDXJBKHSHX-UHFFFAOYSA-N 324.336 2.651 0 50 DFAA COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCC(N)=O 6697847 WBSBKUVCTVLVLA-UHFFFAOYSA-N 322.449 2.864 0 50 DFAA Cn1c(SCC(=O)NC2CCCC2)nnc1C1CCCC1 6731572 OYVBASSBWOQCMQ-UHFFFAOYSA-N 308.451 2.624 0 50 DFAA COC(=O)c1cnc2nc(SCc3ccccc3)nn2c1C 9341829 OBPJRHCPZYLPCR-UHFFFAOYSA-N 314.370 2.512 0 50 DFAA C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CCCc2n[nH]cc21 344850897 UVKMRSCGCHUAOS-WDEREUQCSA-N 317.414 2.669 0 50 DFAA Cc1ccc(Cl)c(OC(C)(C)C(=O)N2CCN(C)CC2)c1 20357250 PNFWWAKHPGFIPE-UHFFFAOYSA-N 310.825 2.580 0 50 DFAA O=C(O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 100149705 ODNSOLBMBSRWPW-XMUKKISLSA-N 319.744 2.574 0 50 DFAA CC(C)c1noc(CCc2nc(-c3cc[nH]c4nccc3-4)no2)n1 351161347 WNLDKJWTVTVOQQ-UHFFFAOYSA-N 324.344 2.856 0 50 DFAA CCc1cccc(NC(=O)CN2CC[C@H]3[C@@H](CCCN3C)C2)c1 229957767 VQTGMRNKIKUBTB-WMZOPIPTSA-N 315.461 2.604 0 50 DFAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)Cc1ncc[nH]1 67679003 VJIGTFDEGOYSLD-UHFFFAOYSA-N 320.780 2.684 0 50 DFAA Cc1cc(C)n(NC(=O)c2cc(-c3ccccc3)on2)c(=O)c1 67908454 JPGJEBQOZZNSPR-UHFFFAOYSA-N 309.325 2.504 0 50 DFAA Cc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328617880 DDOBZXJDXHXNGS-HOCLYGCPSA-N 315.442 2.874 0 50 DFAA Cc1cccc(OC2CCN(C(=O)C3CCOCC3)CC2)c1 77521672 OLLVCFYRTFXYPH-UHFFFAOYSA-N 303.402 2.791 0 50 DFAA Cc1cc2cc(C(=O)OC[C@@H]3CCCN3C(N)=O)oc2cc1C 124294689 GCHDBWUFCJCFJU-ZDUSSCGKSA-N 316.357 2.750 0 50 DFAA COC(=O)c1cc(O)c2c(F)ccc(Br)c2n1 38537277 VSCVZLBQUCUVBY-UHFFFAOYSA-N 300.083 2.629 0 50 DFAA in-vitro COC(=O)c1cccnc1N(C)Cc1cc(-c2cccnc2)no1 77285205 IHBSWZHFIXLVAN-UHFFFAOYSA-N 324.340 2.555 0 50 DFAA C[C@@H](NC(=O)Cc1cccnc1)c1ccccc1-n1cccn1 219469626 LPAPRZBXHMGXDV-CQSZACIVSA-N 306.369 2.687 0 50 DFAA Cc1nc(CC(=O)N(C)Cc2ccc3nsnc3c2)cs1 72433582 HYPRELFLIJGTGO-UHFFFAOYSA-N 318.427 2.657 0 50 DFAA CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 236679355 LDKFURWGOAQEBL-CZUORRHYSA-N 320.408 2.620 0 50 DFAA Cc1cn(CCn2ccnc2-c2ccnc3ccccc23)nn1 77488713 AVRRDWQQXQRFQV-UHFFFAOYSA-N 304.357 2.698 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)CCOc2ccccc2F)C1 237948298 RJJWCMDHIPGWLB-ZDUSSCGKSA-N 323.364 2.698 0 50 DFAA O=C(O)C1CCN(C(=O)CCc2cc(Cl)cs2)CC1 238102106 MSXLKFAJLDYXQA-UHFFFAOYSA-N 301.795 2.657 0 50 DFAA O=C(Nc1cnccc1CO)[C@@H]1CCOc2ccc(Cl)cc21 375189180 XLONNNGKPLHXDC-GFCCVEGCSA-N 318.760 2.732 0 50 DFAA COc1cccc(F)c1CN1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 426474491 ZXPQBJIPMCRFNS-JEBQAFNWSA-N 323.408 2.993 0 50 DFAA CCC[C@H]1CCc2sc(C(=O)NCCc3cnn[nH]3)cc2C1 426407680 QFWFBHPKZBYXKT-NSHDSACASA-N 318.446 2.744 0 50 DFAA COCCc1nc(-c2ccncc2)n(C2Cc3ccccc3C2)n1 92062246 XFSCWXOHYCELEF-UHFFFAOYSA-N 320.396 2.869 0 50 DFAA CCCn1nc(C)c(NC(=O)NCc2ccc(O)cc2)c1C 97638070 RHJMXLXMGUKLCB-UHFFFAOYSA-N 302.378 2.937 0 50 DFAA Cc1nc2c(c(NCc3ncc[nH]3)n1)Cc1ccccc1OC2 96166307 GAHQTXXXJUHXNI-UHFFFAOYSA-N 307.357 2.603 0 50 DFAA C[C@H](CNc1nccc(-c2cccnc2)n1)Oc1cccnc1 96179631 VMLLRKZVMZBKPY-CYBMUJFWSA-N 307.357 2.813 0 50 DFAA CCOc1ccccc1CN1CCC[C@@](CO)(CCOC)C1 92061685 FUMCULQJEMWVRX-GOSISDBHSA-N 307.434 2.696 0 50 DFAA CSC[C@@H](C)C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 182408437 CCFRUDWYHPXVMX-BIGNPOOSSA-N 315.385 2.910 0 50 DFAA CCc1nsc(N2CC[C@H](n3cnc4c3CCCC4)C2)n1 299738542 CCFKAKJMZVFSHM-NSHDSACASA-N 303.435 2.627 0 50 DFAA O=C(Nc1nnc(C(F)(F)F)s1)c1coc(CC2CC2)n1 184302170 FJMKEOSKFDACNH-UHFFFAOYSA-N 318.280 2.750 0 50 DFAA CC(C)(C)n1cc[n+](CCCC[n+]2ccn(C(C)(C)C)c2)c1 606422273 BEUHTWSAXMXJNN-UHFFFAOYSA-N 304.482 2.855 0 50 DFAA O=C(O)Cc1cc(Br)cc(F)c1Br 263623464 HSEOSQQCJLBZGS-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3ncc(C)c(O)c3C)[C@H]2C1 299801651 QCBGWZVCEZSOBH-QILLFSRXSA-N 320.433 2.562 0 50 DFAA CCCN(Cc1ccco1)C(=O)CN(C)Cc1cccnc1 822897326 RDRGJJFSRQIKIE-UHFFFAOYSA-N 301.390 2.545 0 50 DFAA CC[C@H](NC(=O)N1CCC2(CCCO2)CC1)c1ncc(C)[nH]1 584890228 CKMVNGYNEXLSTD-ZDUSSCGKSA-N 306.410 2.524 0 50 DFAA C[C@H](CCn1cccn1)n1cnc2ccc(Cl)cc2c1=O 584889667 FHRLMFYIRHMPBK-LLVKDONJSA-N 302.765 2.898 0 50 DFAA Cc1cc(C)n(CCCC(=O)NCCOc2ccccc2F)n1 670451380 BGFNWRIZTWJUJR-UHFFFAOYSA-N 319.380 2.614 0 50 DFAA C[C@H](Nc1ccnc2cc(Cl)ccc12)[C@H]1CN(C)CCN1C 1875275775 LVJSPMCPHQEUGX-YVEFUNNKSA-N 318.852 2.934 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 1875369601 XWAPDNPIGVHJFW-ZDUSSCGKSA-N 318.392 2.736 0 50 DFAA Oc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)ccn1 952879179 AXJPIFXPTZIAKE-UHFFFAOYSA-N 320.396 2.789 0 50 DFAA CC1(C)CC[C@@H](CCNC(=O)c2cnc3n2CCCC3)OC1 887416498 MCPQRTYWINJLDM-ZDUSSCGKSA-N 305.422 2.545 0 50 DFAA CCc1nc(C)c(C(=O)N(C)c2ccc(C(=O)OC)cc2)o1 1775999982 MMULHMSWIKEOAN-UHFFFAOYSA-N 302.330 2.609 0 50 DFAA CCc1nnc(C[C@@H]2CC[C@H](N[C@@H](C)c3cc(C)n(C)n3)C2)o1 1775957991 WPVJPFFDJNBQMC-MJBXVCDLSA-N 317.437 2.736 0 50 DFAA CN(Cc1cccc2nsnc12)[C@H](CC(=O)O)C(F)(F)F 1777075134 BQYIGTZFWARSLA-SECBINFHSA-N 319.308 2.529 0 50 DFAA CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCCN(c2nccnc2O)C1 275558489 NSBXOKKZIXOKNY-ARFHVFGLSA-N 316.449 2.733 0 50 DFAA Cc1cc(CCNC(=O)CCCn2cccc2)cc(C)c1O 170605664 UUAXORATZVCATH-UHFFFAOYSA-N 300.402 2.950 0 50 DFAA CCn1cc(CC(=O)N2C[C@H](C)Oc3c(Cl)cccc32)cn1 585081270 VRGWXIJILALFMS-NSHDSACASA-N 319.792 2.913 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)C[C@H]1COC(=O)C1)C(C)(C)C2 585085982 IKZKXEYSZMFDTN-CYBMUJFWSA-N 301.386 2.612 0 50 DFAA CCS[C@@H]1CCCCN(C(=O)C[C@H](C)N2CCCC2=O)C1 585132055 NKJQGWUXRZWFLO-UONOGXRCSA-N 312.479 2.522 0 50 DFAA COc1ccc(F)cc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643772829 WFNNYTIPJIOYIL-KGLIPLIRSA-N 305.353 2.519 0 50 DFAA O=C1CC[C@H](c2cccc(NC(=O)c3ccnc(C4CC4)n3)c2)N1 665661250 XULZVUPDEOOVJM-CQSZACIVSA-N 322.368 2.557 0 50 DFAA COc1ccc(F)cc1[C@H](C(=O)O)N1C[C@H]2CC=CC[C@H]2C1 1506414610 GSXSWPURSHZFNN-BFQNTYOBSA-N 305.349 2.858 0 50 DFAA CC[C@H](Nc1nc(N2CCCC2)nc(C)c1C)c1ccnn1C 1529158706 JXKZZUKWMSKHOC-AWEZNQCLSA-N 314.437 2.990 0 50 DFAA CN(C)CCc1nnc(NC(=O)c2sccc2Cl)s1 1529153450 BRHNWNUPJQDKLF-UHFFFAOYSA-N 316.839 2.609 0 50 DFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)s2)C1=O 1129071 GXUJIGKLLYAXSS-VSBFRKNKSA-N 311.384 2.654 0 50 DFAA C[C@@H](NC(=O)NCc1nccs1)c1cc(F)ccc1N(C)C 1615615782 SNOLOYFOUPSAKK-SNVBAGLBSA-N 322.409 2.909 0 50 DFAA CS(=O)(=O)Nc1ccc2c(c1)ncn2CCc1ccccc1 5451287 TYANFPBZUVOMNK-UHFFFAOYSA-N 315.398 2.651 0 50 DFAA CCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C)cc1)C3 12653446 DWDOIWDGXBXOLN-ZDUSSCGKSA-N 306.369 2.908 0 50 DFAA CCC(CC)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12864211 DKPVCAXHQGRREK-UHFFFAOYSA-N 320.408 2.983 0 50 DFAA O=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1 18143520 RJBBTKDXDVYSIE-UHFFFAOYSA-N 301.777 2.697 0 50 DFAA Oc1cc(Br)cc(F)c1I 169795924 MWUXAOMZMWNGMH-UHFFFAOYSA-N 316.895 2.898 0 50 DFAA Cc1ccc2nc(O)c(-c3nccn3Cc3nonc3C)cc2c1 1857685135 PHPPDOBKPYVXKA-UHFFFAOYSA-N 321.340 2.852 0 50 DFAA COc1ccc(CN2CCC[C@@H]2c2cnn(C)c2)c(OC)c1 131804626 VCLAMTBRZXARKX-MRXNPFEDSA-N 301.390 2.774 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(OC(F)(F)F)c1 247708415 GYUGWOOKZQZFLG-RBJBARPLSA-N 323.270 2.897 0 50 DFAA Cc1ccc([C@@H](C)NC(=O)N[C@H](CO)Cc2ccccc2)o1 133720410 GSAVQZUTPDMRCN-HIFRSBDPSA-N 302.374 2.552 0 50 DFAA CNC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3S2)c1 140785850 OHSNAIFBPYNFLL-OAHLLOKOSA-N 312.394 2.702 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253396999 RTINLBMKCOCFDC-OAGGEKHMSA-N 323.820 2.650 0 50 DFAA CC(C)c1noc2ncc(C(=O)N3CCC[C@@H]([C@@H](C)N)C3)cc12 156485766 LYWZAJAXAFCWJR-VXGBXAGGSA-N 316.405 2.546 0 50 DFAA Cc1cc(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)sn1 1652593393 XEOBUYQPERUAKM-NSHDSACASA-N 301.371 2.809 0 50 DFAA CCn1cc(CN2C[C@H](CC(=O)O)C(C)(C)C2)c(C2CC2)n1 2325788252 VIUIBFRXZOAGBB-AWEZNQCLSA-N 305.422 2.713 0 50 DFAA O=C(O)[C@H](CNC(=O)N1CC=CCC1)Cc1ccccc1Cl 2325794728 OUACCIATCQGYER-ZDUSSCGKSA-N 322.792 2.555 0 50 DFAA Cc1cc[nH]c(=N)c1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 2325821091 BILHTENSLKPFTQ-LLVKDONJSA-N 317.776 2.961 0 50 DFAA Cc1cc(O[C@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C2)ccn1 2325826480 CDSPHSYOSBCIAX-AWEZNQCLSA-N 322.368 2.560 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)Cc3ncoc3C)cc2)c1C 2325840735 NTHMHVQJGSLSRU-UHFFFAOYSA-N 310.357 2.967 0 50 DFAA Cc1ccc(O)c(NC(=S)NC(=O)Cc2ccccc2)c1 456734 OXFAPZCFAMLFQT-UHFFFAOYSA-N 300.383 2.756 0 50 DFAA CCOc1cc(S(=O)(=O)NCc2ccco2)c(C)cc1C 528137 FGEBKQZQZOKTCI-UHFFFAOYSA-N 309.387 2.774 0 50 DFAA Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)s1 611294 MSSWSUSYQMPUIZ-UHFFFAOYSA-N 319.333 2.995 0 50 DFAA COc1ccc(OCC(=O)Nc2nc3ccccc3n2C)cc1 4941601 ODOCMLMMUHYKGL-UHFFFAOYSA-N 311.341 2.599 0 50 DFAA Cc1nnsc1C(=O)NCc1c(F)cccc1OC(F)F 225558471 YRUYQBOBGYLINZ-UHFFFAOYSA-N 317.292 2.517 0 50 DFAA CCC(C)(C)C(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 225535340 AWPBZHOXMNTHOW-LBPRGKRZSA-N 307.390 2.516 0 50 DFAA O=C(C[C@@H]1C(=O)OCCN1C1CCCCC1)Nc1ccccc1 54253743 OFAPJSYLMOTHNC-MRXNPFEDSA-N 316.401 2.575 0 50 DFAA Cc1cc(Br)cc(C(=O)N(C)CC[C@H](C)O)c1 134755179 DHFMRVNMMYYGAI-JTQLQIEISA-N 300.196 2.600 0 50 DFAA Cc1cccc(O[C@H](C)CNC(=O)N[C@@H](C)C2CCOCC2)c1 134785751 YSQGQWDJBYYXLU-CABCVRRESA-N 320.433 2.877 0 50 DFAA Cc1ccc2[nH]c(C3CCN(C(=O)[C@@H]4CCCO4)CC3)nc2c1 170492856 XOPAWVQBNDVMEN-INIZCTEOSA-N 313.401 2.756 0 50 DFAA CCCc1cc(N2CCC3(CCNC(=O)CC3)CC2)nc(C)n1 67514627 VHXWGFLPFIUZJI-UHFFFAOYSA-N 316.449 2.624 0 50 DFAA COCCCCC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C 425034704 GXGHMIQKEVUBFD-UKRRQHHQSA-N 313.438 2.772 0 50 DFAA C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)O 217699082 ZAACPOGHMKCJLZ-ZDUSSCGKSA-N 322.364 2.893 0 50 DFAA biogenic COc1ccc2nc(CNC3CCN(CC(C)C)CC3)[nH]c2c1 67822054 KWRDSKDQIANMAP-UHFFFAOYSA-N 316.449 2.782 0 50 DFAA Cc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)o1 39379632 LFLNIBWCWWUDCE-QGZVFWFLSA-N 306.450 2.789 0 50 DFAA COCCC[C@@H]1CCCN(Cc2ccc(O)c(C(=O)O)c2)C1 77377367 AZAACEIIDUBMLU-ZDUSSCGKSA-N 307.390 2.729 0 50 DFAA O=C(CN1CCCC1)N1CCC[C@H](COc2ccccc2F)C1 77301978 HNQFYFZSNIKPJP-HNNXBMFYSA-N 320.408 2.539 0 50 DFAA COCC1(CNC(=O)[C@@H](O)c2ccccc2Cl)CCCC1 218844942 RYIFCBXQHMDHDG-AWEZNQCLSA-N 311.809 2.696 0 50 DFAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@H]1c1ccccc1F 374035093 BSWLXIMCCACPKE-KRWDZBQOSA-N 322.343 2.994 0 50 DFAA Cn1cnc2cc(C(=O)N3CCC[C@]4(CCCO4)CC3)ccc21 216488288 OTQOHGRVFBQSIJ-SFHVURJKSA-N 313.401 2.749 0 50 DFAA CSc1cccc(CN2CCC3(CC2)CC(=O)N(C)C3)c1 72458768 BTNHQXLZBQIKLJ-UHFFFAOYSA-N 304.459 2.853 0 50 DFAA O=C(NC[C@H]1CSCCS1)c1cccc(OC(F)F)c1 176673541 FAKBPFKFIQWHME-NSHDSACASA-N 319.398 2.866 0 50 DFAA Cc1nnc([C@@H](C)Nc2nc(C(C)(C)C)nc3c2cnn3C)o1 72126661 PYUKWKSNYHZTTA-MRVPVSSYSA-N 315.381 2.525 0 50 DFAA CCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@H]2CC)n1 241316870 LVQCWTZTUAXKPX-BFHYXJOUSA-N 322.453 2.710 0 50 DFAA COc1cnccc1[C@@H](C)NC(=O)c1cnc(O)c2ccccc12 242164637 WWQGEYBNRNCEGL-LLVKDONJSA-N 323.352 2.835 0 50 DFAA C[C@@]1(C(=O)NCCc2c[nH]c3cc(F)ccc23)C[C@H]2CC[C@H]1O2 225628407 WGHSVFBYBMLXPJ-MZMPZRCHSA-N 316.376 2.923 0 50 DFAA COc1ccc(CC(=O)NCCCc2nc(C)cs2)cc1 41527993 XYAYNKZVFVCLGD-UHFFFAOYSA-N 304.415 2.752 0 50 DFAA Cc1nc(NCCc2c[nH]c3ccccc23)cc([C@@H]2CCOC2)n1 426667134 SCQJUSKZHHALNT-OAHLLOKOSA-N 322.412 3.425 0 50 DFAA Cc1ncsc1CCC(=O)NC[C@H]1CCc2ccccc2O1 82087543 HOWTYYKBXKYKHT-CQSZACIVSA-N 316.426 2.894 0 50 DFAA Fc1ccc(N2CN(Cc3ccccc3)CNC2=S)cc1 19868972 XOYQFENDNJXQTR-UHFFFAOYSA-N 301.390 2.937 0 50 DFAA CCC[C@@H](NC(=O)CC1CCN(C(C)C)CC1)c1nccn1C 95372134 MBEDRIDIOLTPLH-MRXNPFEDSA-N 320.481 2.888 0 50 DFAA COCc1cc(CNC(=O)c2ccc3sccc3c2)n[nH]1 91808117 ITARXFMYLODFPV-UHFFFAOYSA-N 301.371 2.701 0 50 DFAA CCN1CCC[C@@](C)(c2nc(-c3ccc4[nH]cnc4c3)no2)C1 96165951 OFAZTZWEDOUVMK-QGZVFWFLSA-N 311.389 2.986 0 50 DFAA O=C(NCCC[C@@H]1CCOC1)c1cnoc1-c1ccccc1 426485635 GHZUEOIJFLLPNG-CYBMUJFWSA-N 300.358 2.888 0 50 DFAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CC(c2ccccn2)C1 97574902 WUCLIAHCVGBCBC-UHFFFAOYSA-N 304.353 2.711 0 50 DFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3C)C2=O)cc1 239347221 MLPVBTRSXSOQKB-CZUORRHYSA-N 316.401 2.592 0 50 DFAA CCCn1cc(C(=O)N(C)CC[C@H](O)c2ccccc2)c(C)n1 91657076 YIBCTCYXPVFZSZ-KRWDZBQOSA-N 315.417 2.797 0 50 DFAA COCCC[C@@H]1CCCN(c2cc(C(=O)NC3CC3)ccn2)C1 96139174 PHQSEIISTIILQT-AWEZNQCLSA-N 317.433 2.617 0 50 DFAA COC(=O)c1ccc(F)c(-c2ccc(C(=O)N(C)C)cc2)c1 95217999 DFHFIBPBRMTFFN-UHFFFAOYSA-N 301.317 2.981 0 50 DFAA C[C@@H](NCc1noc(C(C)(C)C)n1)c1ccc2c(c1)OCO2 182299248 DCIMGONHGNBMQE-SNVBAGLBSA-N 303.362 2.947 0 50 DFAA O=C(Nc1cn2c(Br)cccc2n1)C(F)(F)F 255188239 JBXZPYMPHVUWHX-UHFFFAOYSA-N 308.057 2.598 0 50 DFAA O=C(NCC1(COc2ccccc2)CC1)c1cncc(F)c1 534660165 PEUATHBPUGHWJT-UHFFFAOYSA-N 300.333 2.810 0 50 DFAA CCOc1cc(CNC(=O)N2CCC(F)CC2)ccc1OC 534653250 LVUBABKEHASOFM-UHFFFAOYSA-N 310.369 2.737 0 50 DFAA CCN(CCN1CCCCCC1)C(=O)Nc1ccc(F)nc1 299783902 HABSAQUIIUKOJP-UHFFFAOYSA-N 308.401 2.951 0 50 DFAA CNC(=O)c1ccc(-c2cccc([C@@H]3COCCN3)c2)cc1C 629735171 KYQTVUIYAZPWFE-SFHVURJKSA-N 310.397 2.683 0 50 DFAA O=C(C[C@@H]1CCOC1)NCc1c[nH]nc1-c1ccc(Cl)cc1 584896652 YWNPHMLBUGVGSI-NSHDSACASA-N 319.792 2.773 0 50 DFAA C[C@@](O)(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccsc1 863984697 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CCn1ncc(C)c1NC(=O)c1nc2ccc(Cl)cn2c1F 1529192560 XPWMHPGNRLATBW-UHFFFAOYSA-N 321.743 2.904 0 50 DFAA COc1ccc(N(C)C(=O)[C@@H]2CCCN[C@@H]2C2CC2)cc1F 1615044762 HKXJTPOFRHKPTQ-CZUORRHYSA-N 306.381 2.575 0 50 DFAA O=C(CCN1CCC(c2ccnnc2)CC1)Nc1ccccc1 1615613849 AICXZVCMNHKKPL-UHFFFAOYSA-N 310.401 2.685 0 50 DFAA CCSC[C@H](C)N1CCCN(C(=O)c2cncc(C)c2)CC1 1775979548 JXWDBGJJHFASSV-HNNXBMFYSA-N 321.490 2.680 0 50 DFAA CN1C[C@@H](CN2CCC(Cc3ccc(F)cc3)CC2)CCC1=O 1775983506 ZAENHEFPJAMUEK-KRWDZBQOSA-N 318.436 2.949 0 50 DFAA Cc1cccn2ncc(C(=O)NCCCC[C@@H]3CCCO3)c12 1772711471 UNEUGVRBPVDJGX-CQSZACIVSA-N 301.390 2.722 0 50 DFAA S=C(NC1CCCCC1)N1CCN(Cc2ccco2)CC1 5041848 RKUMNGNQYKIBIK-UHFFFAOYSA-N 307.463 2.604 0 50 DFAA COCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2F)C1 12151023 VGZVLKXNWCWHGN-LBPRGKRZSA-N 317.364 2.568 0 50 DFAA N=c1n(CCO)c2ccccc2n1Cc1ccccc1Cl 19805362 STBXFLJJXKRCBJ-UHFFFAOYSA-N 301.777 2.616 0 50 DFAA O=C(Nc1nc(-c2nc3ccccc3[nH]2)cs1)[C@H]1CCOC1 1857738335 CKVBSOZTBHGBJJ-VIFPVBQESA-N 314.370 2.661 0 50 DFAA CC1=C(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CCCO1 225541343 VSLNIXLEBROZKU-HOCLYGCPSA-N 305.349 2.544 0 50 DFAA O=C(N[C@@H]1CC=CCC1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331846055 BPQTVSMDIVYFJS-XJKCOSOUSA-N 322.355 2.891 0 50 DFAA Cc1c(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nnn1C 333604486 PWGFAAJQRBPABV-SFCYXTAJSA-N 317.437 2.850 0 50 DFAA C[C@@H](CN(C(=O)Cc1c(F)cccc1Cl)C1CC1)C(=O)O 237442730 FKGLREODVHVDHW-VIFPVBQESA-N 313.756 2.733 0 50 DFAA NCC1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)CC1 237813418 CAZVDSRCJYPUQN-UHFFFAOYSA-N 319.792 2.806 0 50 DFAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1cc(Cl)ccc1O 239173583 OFHLMVJQLYKWLM-JSBGKLSNSA-N 315.756 2.603 0 50 DFAA COC[C@H](Cc1ccccc1)N(C)CC(=O)NC1CCCCC1 252500528 SXGRRSABTVTSEL-SFHVURJKSA-N 318.461 2.625 0 50 DFAA CN1CC[C@@H](N(C)Cc2csc(Nc3ccccc3)n2)C1=O 265617425 ABTYJJAVFPXGGG-CQSZACIVSA-N 316.430 2.549 0 50 DFAA Cc1cc(N2C(=O)CN([C@@H](C)c3ccccc3)C2=O)sn1 900228046 BAXSUEMBIWPVJQ-NSHDSACASA-N 301.371 2.981 0 50 DFAA O=C(NCCCN[C@@H]1CCCC[C@H]1CCCO)c1cccs1 820814625 LILWCZOMOMCYAI-LSDHHAIUSA-N 324.490 2.789 0 50 DFAA Cc1oc(C(C)C)nc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 910204367 HLLIORQKXOBMGK-CYBMUJFWSA-N 318.329 2.524 0 50 DFAA COc1ccc(C)cc1NS(=O)(=O)c1cccc(C(=O)O)c1 575914 CEGHGHLJXIQYPB-UHFFFAOYSA-N 321.354 2.503 0 50 DFAA c1cnc2cc(CNC3CCN(c4ccncc4)CC3)oc2c1 2325774175 KLVHMWCHMUEIKS-UHFFFAOYSA-N 308.385 2.981 0 50 DFAA CCNCc1ccc(NC(=O)c2cc3c(cnn3C)nc2C)cc1 2325788079 KNWHBMJKZMUMFB-UHFFFAOYSA-N 323.400 2.639 0 50 DFAA C=CC(=O)N1CCC2(CC1)C[C@@H]2N(Cc1ccsc1)C(C)=O 2325885639 IZPIZZADXUEIEW-HNNXBMFYSA-N 318.442 2.664 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 44132 UXNQYRWHHXUIEQ-CQSZACIVSA-N 304.390 2.702 0 50 DFAA Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 178622 LHZKIJOVBGFZJL-UHFFFAOYSA-N 316.426 2.506 0 50 DFAA CC[C@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 253708 AWHWYDUFYAMMDU-HNNXBMFYSA-N 313.353 2.889 0 50 DFAA COc1cc(C(=O)Nc2ccccc2O)cc(OC)c1OC 363008 PBTUGJJKXQRAIV-UHFFFAOYSA-N 303.314 2.670 0 50 DFAA O=S(=O)(c1cccc2ccccc12)n1nnc2ccccc21 436608 GFTQCVPCMHYAOO-UHFFFAOYSA-N 309.350 2.822 0 50 DFAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2O)cc1 456395 YMZYSLVMTADZSZ-UHFFFAOYSA-N 316.382 2.918 0 50 DFAA COC(=O)Cc1ccc(NC(=S)Nc2cccc(C)n2)cc1 2358376 UIOKXDGMUPZGDZ-UHFFFAOYSA-N 315.398 2.914 0 50 DFAA O=C(O)c1c(N2CCOCC2)noc1-c1ccc(Cl)cc1 2356144616 GCFFOSBFZWQLQA-UHFFFAOYSA-N 308.721 2.530 0 50 DFAA COCCNCCOc1ccc(Cl)cc1Br 3001801 VICHJLBKWYRAKO-UHFFFAOYSA-N 308.603 2.717 0 50 DFAA CCc1cc(NC(=O)N2CCC[C@@H]2c2cccn2C)n(C)n1 172163984 MOOJEGHCQZZBIM-CQSZACIVSA-N 301.394 2.690 0 50 DFAA O=C(NC1CCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 9236850 JCINLZZWBYPUNV-NSHDSACASA-N 306.793 2.752 0 50 DFAA O=C(c1nnc2n1CCCCC2)N1C[C@@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 102792463 VGPUEEQXPCBWEZ-PYHGIMPFSA-N 314.433 2.655 0 50 DFAA COc1cccc2c1OC[C@@H](NCc1nc3ccccc3[nH]1)C2 23339474 OMDMTQKESWXUEY-ZDUSSCGKSA-N 309.369 2.665 0 50 DFAA Cc1ccc(-c2cc(C(N)=O)ccn2)c(-n2nc(C)cc2C)c1 67713067 USICSJHHNQPHRZ-UHFFFAOYSA-N 306.369 2.958 0 50 DFAA CCCCc1ncc(C=O)n1Cc1ccc(C(=O)OC)cc1 22006026 FYHJBMSPUBQYOJ-UHFFFAOYSA-N 300.358 2.873 0 50 DFAA in-vitro NC(=O)c1ccc(Oc2cc(C(=O)O)c3ccccc3n2)cc1 64037986 NFIPSBGLAJUGCZ-UHFFFAOYSA-N 308.293 2.824 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2coc(C)c2)c1 282454883 KGLNWIUDNCFGEP-GDBMZVCRSA-N 301.342 2.545 0 50 DFAA Cc1noc(N)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 99712 LTCPVYCINULFMA-UHFFFAOYSA-N 301.224 2.716 0 50 DFAA COc1cc(CCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1O 253369664 GMMOZDCFCXQNIZ-ZTFGCOKTSA-N 317.429 2.881 0 50 DFAA O=C(O)c1ccc(CNC(=O)c2ccccc2N2CCCC2)o1 218159578 XTRPCYNRBIILBJ-UHFFFAOYSA-N 314.341 2.508 0 50 DFAA Cc1ccc([C@@H]2CN(CC(C)C)C[C@H]2NC(=O)C2CC2)cc1 77535777 HWPDBIDVSPSYGU-ZWKOTPCHSA-N 300.446 2.945 0 50 DFAA COCc1nc2n(n1)C[C@H](N[C@@H]1CCCCC13CCCC3)CC2 328888299 PLNHNJXZKVKZCA-HUUCEWRRSA-N 318.465 2.832 0 50 DFAA CC(C)SCCNC(=O)c1cc(-c2ccccc2)n(C)n1 215748172 BYNSHSDMBJNAGP-UHFFFAOYSA-N 303.431 2.959 0 50 DFAA O=C(N[C@@H](c1ccccc1)c1ccco1)c1cn2cccnc2n1 77675720 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DFAA CO[C@@H](c1nc(-c2cccc(N3CCCC3=O)c2)no1)C1CC1 290203535 VALPVQVIWSVNPM-OAHLLOKOSA-N 313.357 2.961 0 50 DFAA Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CCOC(C)(C)C1 178968923 DXCHCQZZWKKZPM-LBPRGKRZSA-N 315.373 2.732 0 50 DFAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1ccncn1 19782198 SNQKQFUEKSDCLM-INIZCTEOSA-N 307.353 2.908 0 50 DFAA NC(=O)c1cccc2nc(-c3ccc([C@@H]4CCCN4)cc3F)[nH]c12 49069486 AHIVQGOUBLVTCB-AWEZNQCLSA-N 324.359 2.892 0 50 DFAA NCC1CCN(C(=O)/C=C/c2ccccc2Br)CC1 238033534 URJWXNCPCSUMFB-AATRIKPKSA-N 323.234 2.660 0 50 DFAA CC(=O)N[C@@H]1CCN(C(=O)Nc2c(C)ccc(Cl)c2C)C1 96131857 NTSZPOLHLRWAFJ-GFCCVEGCSA-N 309.797 2.699 0 50 DFAA Cc1nc2ccccc2nc1CN(C)[C@H](C)Cc1cnccn1 97522014 MVEXUCPMDMDWEJ-CYBMUJFWSA-N 307.401 2.791 0 50 DFAA COc1cccc2c1OC[C@@H](Cc1cc(C)nc(N(C)C)n1)C2 95497378 BVAGZOUIXIKHRV-CYBMUJFWSA-N 313.401 2.653 0 50 DFAA Cc1ccc2cc(C(=O)N3CC[C@@](C)(C(=O)O)C3)c(C)nc2c1 237889176 CXPFKPSFGLMLBP-GOSISDBHSA-N 312.369 2.788 0 50 DFAA CCCOC[C@H]1CCN(C(=O)Nc2cccc3cn[nH]c23)C1 96163559 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302.443 2.966 0 50 DFAA COc1ccccc1-c1nc(CN[C@@H]2CCNC23CCC3)co1 903471637 LLUOSSZAPIEPKL-MRXNPFEDSA-N 313.401 2.724 0 50 DFAA CC(C)(C)c1nc(NS(=O)(=O)c2coc3ccccc23)no1 903619411 AIRALQUHGMININ-UHFFFAOYSA-N 321.358 2.914 0 50 DFAA CCc1onc(C)c1CN1CC[C@@H](Oc2ccc(C)cn2)C1 931268713 CWAPYJSYUYUPHX-CQSZACIVSA-N 301.390 2.902 0 50 DFAA CCN(CC)CCn1c2ccccc2c2nnc(S)nc21 19857377 WJADQMVJUWFISG-UHFFFAOYSA-N 301.419 2.610 0 50 DFAA CC(C)CN(CC(C)(C)C)C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O 2325740505 CIQFOFKBMSRRGI-CHWSQXEVSA-N 320.499 2.522 0 50 DFAA COC12CCC(c3cn(C[C@@H]4OCCC4(C)C)nn3)(CC1)C2 2325777091 CFXMIBVNIAKXLX-OOHWJJMZSA-N 305.422 2.694 0 50 DFAA O=C(Nc1ccccc1NC(=O)c1cccnc1)c1ccncc1 219858693 MRAHFQGXPFXWDA-UHFFFAOYSA-N 318.336 2.981 0 50 DFAA CNc1c(Cl)cnn(-c2cccc(C(F)(F)F)c2)c1=O 297129 PENMVRBYVRHAPQ-UHFFFAOYSA-N 303.671 2.946 0 50 DFAA CC1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)CC1 869815 LJOBMIRFSRZZSU-UHFFFAOYSA-N 315.339 2.649 0 50 DFAA CCCN1CCC[C@]2(CCCN2Cc2scnc2C)C1=O 2356138222 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Cc1cccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)c1 248060003 YCGMGTQUHJPNOO-YJBOKZPZSA-N 302.418 2.561 0 50 DFAA C[C@@H](Cc1cnccn1)N(C)Cc1noc(C2CCCC2)n1 252507809 WUEYGMPGXUSGLV-LBPRGKRZSA-N 301.394 2.580 0 50 DFAA Cc1ccc([C@H]2COCCN2C(=O)c2coc(CC3CC3)n2)o1 184418553 CTIFPVUVDRJCFB-CQSZACIVSA-N 316.357 2.742 0 50 DFAA Cc1cc(Cl)cc(Cl)c1CNC(=O)N1CC[C@@H](CO)C1 534653889 HTABXUAIKLRYMP-SNVBAGLBSA-N 317.216 2.826 0 50 DFAA COCC[C@@H]1CCCCN1C(=O)c1ccc(O)nc1C(C)C 1940196315 BFMCMGAAQZGDOX-ZDUSSCGKSA-N 306.406 2.942 0 50 DFAA O=C(Cc1nc2ccccc2o1)NCc1n[nH]c2c1CCCCC2 827856339 YMPZJOXRCHXTHK-UHFFFAOYSA-N 324.384 2.679 0 50 DFAA O=C1CCc2c1cccc2C(=O)N1CCC[C@H](c2cc[nH]n2)C1 670439872 ABPROYAISHRWAW-LBPRGKRZSA-N 309.369 2.558 0 50 DFAA Cc1nc2n(c1C(=O)Nc1ccc3c(C)[nH]nc3c1)CCCC2 1875321440 IOAFWQUALCGVTH-UHFFFAOYSA-N 309.373 2.965 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2nccnc2C(C)C)cc1F 952994076 UPOZCPRPCYHTBU-UHFFFAOYSA-N 309.366 2.848 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2c(c1)C[C@H](C)O2 885608449 PRNSILYTQAEFSE-NSHDSACASA-N 313.401 2.932 0 50 DFAA CC(C)(C)n1cnc(-c2nc(-c3cc(O)nc(Cl)c3)no2)n1 1775985054 HLBHIVQMPXVSCU-UHFFFAOYSA-N 320.740 2.504 0 50 DFAA CCc1ccc(S(=O)(=O)NC(=O)C2CC3(CCC3)C2)cc1 408504595 YUXWTYXCIQHVKG-UHFFFAOYSA-N 307.415 2.634 0 50 DFAA CCc1ncnc(Nc2ccc(CC(=O)N(C)C)cc2)c1F 271176986 LKXWOQZNLDANJN-UHFFFAOYSA-N 302.353 2.552 0 50 DFAA Cn1cncc1[C@H]1C[C@H](NC(=O)C2=CCCCCC2)CCO1 276365440 SCKXYKXGGVWCHD-GDBMZVCRSA-N 303.406 2.647 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)ccn1 171805329 DTVYBWRIRUNIQT-FUHWJXTLSA-N 323.396 2.938 0 50 DFAA Oc1ncnc2ccc(N3CCO[C@@H](C4CCCCC4)C3)nc12 641489172 MNDOEWHNXYYWHX-CQSZACIVSA-N 314.389 2.516 0 50 DFAA CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cncnc1N 194223368 QDLAYKICXFZFKU-UHFFFAOYSA-N 310.401 2.949 0 50 DFAA Cc1cccc(NC(=O)CC(=O)N[C@@H](C)c2c(C)n[nH]c2C)c1 1506424972 ACBSOPAFNJRWJN-NSHDSACASA-N 314.389 2.541 0 50 DFAA COc1c(C)cnc(CN(CCO)Cc2ccc(F)cc2)c1C 1529172119 JJVBDVRVFLQRJF-UHFFFAOYSA-N 318.392 2.841 0 50 DFAA Cc1cccc(C(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)n1 1704337857 FUQFVTWHLCWAPH-LJQANCHMSA-N 322.412 2.609 0 50 DFAA Cc1cccc(C)c1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615965131 JHMKSOKPBVTGFX-IRXDYDNUSA-N 310.397 2.686 0 50 DFAA CCCCN1C[C@@H]2CN(C/C=C/c3ccccc3)C[C@@]2(CO)C1 1772807764 ADALKOZYCBRFFH-DSJULSIBSA-N 314.473 2.726 0 50 DFAA COc1ccccc1CN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1772809863 GJHALUDWCSQWKR-OAHLLOKOSA-N 304.434 2.774 0 50 DFAA Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COC[C@H]1CC=CCC1 13425412 PHTUCFUYQVBSBK-DLBZAZTESA-N 315.437 2.508 0 50 DFAA CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 16527149 RBHSTCIWNSNGKS-HIFRSBDPSA-N 318.392 2.970 0 50 DFAA CCCC(=O)Nc1ccccc1-c1nnc(SC)nc1O 18090342 NHMDNQAZNVIKSP-UHFFFAOYSA-N 304.375 2.705 0 50 DFAA O=C(c1cccc(F)c1)N1CCN(Cc2ccc(F)cc2)CC1 19293583 CEMYWIAWMYNWLV-UHFFFAOYSA-N 316.351 2.923 0 50 DFAA NS(=O)(=O)c1cnccc1Sc1cccc(Cl)c1 481364 BQONAVBCTLIHTR-UHFFFAOYSA-N 300.792 2.534 0 50 DFAA CN(CC1(c2ccccc2)CC1)C(=O)N[C@H]1CCC[C@H]1CCO 225440348 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CC(C)c1noc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)n1 933447896 HLMYOKCCFRQGSU-MRXNPFEDSA-N 323.824 2.930 0 50 DFAA O=C(O)CN(Cc1ccccc1)C(=O)CSc1ccccc1 238144639 VMDAPUCTSSZCLG-UHFFFAOYSA-N 315.394 2.892 0 50 DFAA Cc1ncsc1CN[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 888099237 XKWDKDVYCIVWRA-JHJVBQTASA-N 323.462 2.797 0 50 DFAA NCc1cccc(C(=O)Nc2cncc(-c3ccccc3)c2)n1 2325857935 VGRFUMNORNBYIX-UHFFFAOYSA-N 304.353 2.855 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2cccc3ocnc23)cc1 2325861227 JYFNNCZEXUAXRW-GFCCVEGCSA-N 308.337 2.840 0 50 DFAA O=C(OCc1cc(-c2ccccc2)on1)c1[nH]nc2ncccc12 2325871970 BYFZMJYIUJLION-UHFFFAOYSA-N 320.308 2.970 0 50 DFAA COc1ccc(CNc2nc(-c3cccnc3)no2)c(OC)c1 134432070 PJDPMHVVDHPGMW-UHFFFAOYSA-N 312.329 2.761 0 50 DFAA COc1ccc(Cl)cc1NC(=O)CSc1ncccn1 36536 GNAGUIXHIQRJSY-UHFFFAOYSA-N 309.778 2.869 0 50 DFAA Cc1c(Br)cc(C(=O)N2CCOCC2)c(C)c1C 167622 SRUYLGVFSWDPJC-UHFFFAOYSA-N 312.207 2.847 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1 479710 FLMWVNXFMLVAAE-UHFFFAOYSA-N 321.398 2.572 0 50 DFAA COC(=O)c1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1 618913 GXZFGSIPLTURDU-UHFFFAOYSA-N 319.357 2.837 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2cccc3ccc[n+](C)c23)cc1 762942 ZDGFRMBJODLHKN-UHFFFAOYSA-N 313.402 2.774 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)N3CCCCCC3)CC2=O)cc1 2865341 VDRBJNJWNKZLNV-OAHLLOKOSA-N 300.402 2.751 0 50 DFAA COc1ccc(CCNC(=O)c2cc(C3CC3)on2)cc1OC 3908698 TYLQKBNBWZRPJK-UHFFFAOYSA-N 316.357 2.542 0 50 DFAA O=C(Nc1ccccc1C(=O)O)c1cncc(Br)c1 4865571 VUHWWFKVIDQADJ-UHFFFAOYSA-N 321.130 2.795 0 50 DFAA COc1cc(C(=O)O)ccc1OCC(=O)Nc1ccccc1C 4867273 ZVTICLOIQCHKDP-UHFFFAOYSA-N 315.325 2.719 0 50 DFAA CCCN1CCC(NC(=O)COc2ccccc2Cl)CC1 8130685 IFRQZYJRQSOZGR-UHFFFAOYSA-N 310.825 2.709 0 50 DFAA CCOC(=O)[C@@H](Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 172167380 PWASSVZWAWOCGE-KRWDZBQOSA-N 310.353 2.898 0 50 DFAA Cn1ncc2c1CCCN(Cc1cnc([C@H]3CCCO3)s1)C2 414475165 UJKVLSSQXVKFKY-OAHLLOKOSA-N 318.446 2.677 0 50 DFAA O=C(Nc1ccc(Cn2ccnc2)cc1)c1cc(O)cc(O)c1 134082675 WBYSHDIVFDTKAS-UHFFFAOYSA-N 309.325 2.595 0 50 DFAA O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 100038399 UKTAZPQNNNJVKR-YXSUXZIUSA-N 324.380 2.519 0 50 DFAA investigational CN(Cc1nccn1C)C(=O)CC12CC3CC(CC(C3)C1)C2 55042189 MYHUMSQTANAHPP-UHFFFAOYSA-N 301.434 2.985 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 105327739 VSIVEOBHSFDGFI-ZDUSSCGKSA-N 314.351 2.801 0 50 DFAA COc1ccccc1OCc1cc(C(=O)N(C)CC(C)C)n[nH]1 67642110 CPOKYNWVEBJJQP-UHFFFAOYSA-N 317.389 2.725 0 50 DFAA c1cnn(CCCN[C@@H]2CCCN(CC3CCCCC3)C2)c1 22916694 RLZVZXIXVGRHOV-GOSISDBHSA-N 304.482 2.908 0 50 DFAA O[C@]12CCCC[C@H]1CN(Cc1cccn1-c1ccccn1)CC2 65365943 WAXYNWZCKYABFX-LPHOPBHVSA-N 311.429 2.999 0 50 DFAA COC[C@@H](C)NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 252475038 RGJKGMRZFOXCJH-DOMZBBRYSA-N 310.825 2.628 0 50 DFAA O=C(NC1CN(C(=O)Nc2ccc(C3CCC3)cc2)C1)C1CC1 252483074 DUFFNNCUNKZLGI-UHFFFAOYSA-N 313.401 2.696 0 50 DFAA CCn1nc(CNC(=O)c2csc(C)n2)c2ccccc21 65527819 XEQRGCHVPQMKOY-UHFFFAOYSA-N 300.387 2.751 0 50 DFAA Cc1ccc([C@@H](NC[C@]2(O)CCN(C)C2)c2ccccc2)cc1 358253875 PFMAZALQLQFYQA-VQTJNVASSA-N 310.441 2.741 0 50 DFAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 229880703 YTJFBJJHVLSTAS-FGTMMUONSA-N 308.381 2.865 0 50 DFAA CN(CCC1CCOCC1)[C@@H]1CCN(c2ccccc2)C1=O 120584742 SBNNSIKOPOVMMM-QGZVFWFLSA-N 302.418 2.540 0 50 DFAA COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OC 136402 LPMQCBIQYLTZFQ-FOIPXRHGSA-N 322.360 2.856 0 50 DFAA biogenic COc1c(C)cnc(CN2CCCC[C@@H]2CCNC(C)=O)c1C 72141743 JESQOPZJYBWVMY-MRXNPFEDSA-N 319.449 2.588 0 50 DFAA CCOc1ccc(NC(=O)N2CCCn3cncc3C2)cc1 72121850 RMQPVXVSUULNAO-UHFFFAOYSA-N 300.362 2.720 0 50 DFAA CCCn1nc([C@H]2OCC[C@H]2c2ccccc2)n(CC)c1=O 328625185 CXMYRGWVRYLWCA-GJZGRUSLSA-N 301.390 2.720 0 50 DFAA C[C@](O)(C(=O)N1CCC(OCc2ccccc2)CC1)C1CCC1 362517276 YFDLLJLUQFVETF-LJQANCHMSA-N 317.429 2.745 0 50 DFAA Cc1ccc(-c2ccccc2CN2CCN(C)[C@H](CCO)C2)o1 39490118 OZHKVCFVZHPTDB-QGZVFWFLSA-N 314.429 2.753 0 50 DFAA CC(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 236655507 CTWXDWCHXXMJDR-CYBMUJFWSA-N 303.358 2.606 0 50 DFAA COc1ccc(C(C)(C)C(=O)N2CCC(CC(=O)O)CC2)cc1 262115281 KLANJAFHIATHBU-UHFFFAOYSA-N 319.401 2.686 0 50 DFAA O=C(CCn1cncn1)N1CCCC[C@@H]1c1ccc(F)cc1 77486492 NULKZAHWSRZKLP-OAHLLOKOSA-N 302.353 2.561 0 50 DFAA CN(Cc1ccc(C(N)=O)cc1)[C@@H]1CCCN(c2ccccc2)C1 174677070 NQDCNKVJGXDKRF-LJQANCHMSA-N 323.440 2.886 0 50 DFAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71759009 ULRNBOIHPBRWEF-SYMSYNOKSA-N 323.396 2.635 0 50 DFAA CCC[C@@H](NC(=O)c1scc2c1OCCO2)c1nccn1C 223287380 QFTBYSURBIEUJO-SNVBAGLBSA-N 321.402 2.524 0 50 DFAA Cc1occc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222918135 BLIRXFQDLVFJJG-SJORKVTESA-N 315.369 2.692 0 50 DFAA O=C(Cc1ccc(C(=O)O)cc1)NC1(Cc2ccccc2)CC1 263529250 LOSGLQQDYDQSPJ-UHFFFAOYSA-N 309.365 2.819 0 50 DFAA CO[C@H]1CN(C(=O)CSCc2ccc(F)cc2)CC[C@H]1C 615282089 WPWJJXQUPNQTJN-DOMZBBRYSA-N 311.422 2.942 0 50 DFAA O=C(NCc1ccc2c(c1)CCCO2)c1ccn(C(F)F)n1 223331919 BRTJVQNPQIDAPY-UHFFFAOYSA-N 307.300 2.533 0 50 DFAA CNC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 179142106 ADPWLCLQIICASF-UHFFFAOYSA-N 301.365 2.645 0 50 DFAA Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)on1 179354325 UHECZHPRRVYDKJ-GFCCVEGCSA-N 318.352 2.913 0 50 DFAA CCNC(=O)Nc1ccc(-c2ccc(C(N)=O)s2)cc1OC 96140845 MFJJWARFDARUNV-UHFFFAOYSA-N 319.386 2.664 0 50 DFAA CCc1cc(C(=O)NCc2cccc(Cl)c2C)cc(=O)[nH]1 97244195 XVWNMXSLQYKMQC-UHFFFAOYSA-N 304.777 2.829 0 50 DFAA CCOC1CCN(C(=O)c2ccc([C@H]3CCCNC3)cc2)CC1 95377136 NFAQHMYOQGUWQT-KRWDZBQOSA-N 316.445 2.795 0 50 DFAA C=CC(=O)NCCC(=O)N1CCC(c2ccc(F)cc2C)CC1 293673724 NZIUITYUTSSJJE-UHFFFAOYSA-N 318.392 2.532 0 50 DFAA COC[C@@H]1CCCN1C(=O)Nc1ccc(-c2cn[nH]c2)cc1 95496793 JNDDUHWNTPHIFJ-HNNXBMFYSA-N 300.362 2.719 0 50 DFAA CCn1nnc(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 295058133 UZYJYRCAXBWZCA-CYBMUJFWSA-N 314.389 2.639 0 50 DFAA CCc1noc([C@H](C)N2CCO[C@H](Cc3ccccc3)C2)n1 181559788 IPQCDTFEBLNZPA-DZGCQCFKSA-N 301.390 2.637 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)[C@H]4C[C@H](F)CC[C@@]43C)[C@@H]1CCC2=O 257346064 PZCDECBEYLOJKW-HRYAOKOJSA-N 324.436 2.878 0 50 DFAA COc1nc(C)c(C(=O)N[C@H](CCO)c2ccc(C)cc2)s1 299788966 ZDXSIHNONGQHCN-CYBMUJFWSA-N 320.414 2.622 0 50 DFAA C[C@H](NC(=O)Cc1ccc(S(C)(=O)=O)cc1)C1=CCCCC1 827989654 LVDRTOZRVBVDIO-ZDUSSCGKSA-N 321.442 2.638 0 50 DFAA CC[C@@H](NC(=O)N1CCC2(CCCO2)CC1)c1ncc(C)[nH]1 584890227 CKMVNGYNEXLSTD-CYBMUJFWSA-N 306.410 2.524 0 50 DFAA COc1ccc2ncn(CCCC[C@H]3CCCO3)c(=O)c2c1 670456629 JSFHICQXVCKFAX-ZDUSSCGKSA-N 302.374 2.754 0 50 DFAA Cc1cc(NC(=O)N2CCC(N3CCCCC3)CC2)ccn1 271158933 VPBCPTJFYVRWBR-UHFFFAOYSA-N 302.422 2.872 0 50 DFAA O=C(c1cnn2ccncc12)N1CCC12CCC(F)(F)CC2 1875300710 OGQSQYVPIXRVLN-UHFFFAOYSA-N 306.316 2.523 0 50 DFAA C[C@]1(NCc2ccc(-c3nn[nH]n3)cn2)CCCc2ccccc21 1875331071 NVUWUCVYCKFDIP-SFHVURJKSA-N 320.400 2.603 0 50 DFAA C[C@@H](C(=O)N1CCc2nc(N(C)C)sc2C1)c1ccccc1 952994024 NVWYRGFLBMROBT-GFCCVEGCSA-N 315.442 2.898 0 50 DFAA OC[C@H]1CCN(c2ncc(Cl)c(Nc3ccc(F)cc3)n2)C1 952991933 FHUUPBQAHDUHQO-JTQLQIEISA-N 322.771 2.831 0 50 DFAA O=C(NCc1ccc2nonc2c1)N[C@H](c1cccnc1)C1CC1 893882154 FNOFQBPTIUJRPU-INIZCTEOSA-N 323.356 2.568 0 50 DFAA CCc1cc(N2CCC[C@@H](c3nncn3C(C)C)C2)nc(C)n1 272829939 GQGMNJPRGNVOJY-CQSZACIVSA-N 314.437 2.904 0 50 DFAA COCc1nc([C@H]2CCCCN2Cc2ccc(F)cc2F)n[nH]1 408473692 DBVYYXNEIRRFSO-CQSZACIVSA-N 322.359 2.957 0 50 DFAA CCCC(CCC)C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C 410793568 RLDHKMPHKIFPBL-JKSUJKDBSA-N 307.438 2.891 0 50 DFAA CSC[C@H](C)CNS(=O)(=O)c1cccc2c1N=S=N2 170626295 JAQAVWROQDULLN-MRVPVSSYSA-N 317.461 2.690 0 50 DFAA COc1ccc([C@H](C)CCNC(=O)c2cncc(O)c2)cc1 170644882 DFUFWQGPBBQVTC-GFCCVEGCSA-N 300.358 2.719 0 50 DFAA CCc1ccc([C@H](O)CNC2CCN(CC(F)F)CC2)cc1 585081805 GHYDZEVNNSVNPF-MRXNPFEDSA-N 312.404 2.602 0 50 DFAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cscn1 188583849 IBUNXKYQRMUBOT-UHFFFAOYSA-N 315.398 2.844 0 50 DFAA CCOc1ccc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 190258469 OSYXHULNPQZXFN-INIZCTEOSA-N 311.341 2.612 0 50 DFAA COc1ccnc(CN[C@@H]2CCCC[C@@H]2n2cccn2)c1OC 191190981 NAWAWBYSEKYFSP-HIFRSBDPSA-N 316.405 2.569 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)c2ccoc2Cl)C(=O)N1c1ccccc1 192322059 ODQHBPPUUCSCOJ-ZWNOBZJWSA-N 318.760 2.857 0 50 DFAA C[C@H]1COC2(CCC2)CN1Cc1cc2ccccc2n(C)c1=O 661461793 GDIWBWCRFGUZKW-AWEZNQCLSA-N 312.413 2.682 0 50 DFAA CN(C)C(=O)c1ccc(N(C)Cc2ccc3ccccc3n2)nc1 1529151256 AGCMQDBTVZFXMF-UHFFFAOYSA-N 320.396 2.968 0 50 DFAA O[C@@H]1CN(CCC2CCCCCC2)C[C@H]1Cc1cnccn1 1704299332 QOLXVSZDAMTNIW-SJLPKXTDSA-N 303.450 2.672 0 50 DFAA O=C(Cc1ccc(F)cc1Br)Nc1ncccn1 362546368 XZPPUIHLJBIXIL-UHFFFAOYSA-N 310.126 2.559 0 50 DFAA Cc1c(N2CC[C@H](O)[C@H](CO)C2)nc2ccc(F)cc2c1Cl 1615548966 GDGRDDOLNIYZMN-HZMBPMFUSA-N 324.783 2.515 0 50 DFAA c1cc(-n2cc(N[C@H]3CCCC4(CC3)OCCO4)cn2)ccn1 1615588955 VEMVQHXWYIJCAJ-AWEZNQCLSA-N 314.389 2.755 0 50 DFAA CNCc1nnc(N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)o1 1772807974 XJVAQZXCYQDOCC-LBPRGKRZSA-N 318.377 2.512 0 50 DFAA COc1cc(OC)cc(-c2nn3c(CSC)nnc3s2)c1 1776110963 BPHUUKDXMAIXHV-UHFFFAOYSA-N 322.415 2.733 0 50 DFAA O=C(C1=Cc2ccccc2OC=C1)N1CCC[C@H](C2(O)CC2)C1 1772805308 JWHGUIVLUNIGBQ-INIZCTEOSA-N 311.381 2.740 0 50 DFAA O=C(CCC1CCN(C(=O)c2ccsc2)CC1)NC1CC1 12025516 CGRGYCHRGMIAIL-UHFFFAOYSA-N 306.431 2.659 0 50 DFAA CC12CN3CC(c4ccccc4)(CN(C1)C31CCCCC1)C2=O 19321265 MOSKNPSTMCLUSY-UHFFFAOYSA-N 310.441 2.805 0 50 DFAA biogenic COc1ccc(C)nc1N1CCN(c2ccc(F)cn2)[C@H](C)C1 1857678215 ISIUCUMGORALQF-CYBMUJFWSA-N 316.380 2.648 0 50 DFAA CCCc1cnc(C)nc1N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1 1857725004 IPVHCIACBQUDAG-ULQDDVLXSA-N 318.465 2.647 0 50 DFAA COc1ccc(C2(NC(=O)c3ccc(OC)cc3O)CC2)cc1 436552210 CUZZVFPEHLVHLZ-UHFFFAOYSA-N 313.353 2.829 0 50 DFAA COC(=O)[C@H]1CCc2nnc(CSc3ccc(C)cc3)n2C1 601044836 RUOACKQGXQSGCP-LBPRGKRZSA-N 317.414 2.614 0 50 DFAA Cc1cc(N2CCO[C@@H](c3nccs3)C2)nc(C2CC2)n1 116260665 HZIGLLUIRGOMSI-GFCCVEGCSA-N 302.403 2.697 0 50 DFAA Cc1nc(O)c2c(n1)CN(c1ncnc3sc(C)c(C)c13)C2 641687057 HVRJNNUMWOZIRG-UHFFFAOYSA-N 313.386 2.632 0 50 DFAA Cc1cccc(C)c1OC1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1 152226288 QTJDVNHFRBNZEP-IAGOWNOFSA-N 316.445 2.801 0 50 DFAA CC[C@H](NC[C@H](C)C[C@@H](C)O)[C@@H](C)NC(=O)OC(C)(C)C 1875273992 SNRAGLZCFQDJMC-SYQHCUMBSA-N 302.459 2.675 0 50 DFAA O=C(c1ccsc1C(F)F)N1CCC[C@@H](n2cncn2)C1 931992848 VKCPOQDCPURGDC-SECBINFHSA-N 312.345 2.755 0 50 DFAA COc1ccc(CSC2=NCCN2)cc1Br 374901 AJOVEOLUBHGHLE-UHFFFAOYSA-N 301.209 2.650 0 50 DFAA COc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCCO3 104610 MEZROCVQJVUKOP-LBPRGKRZSA-N 311.337 2.941 0 50 DFAA Cc1cccc(C)c1NC(=S)NCCCN1CCCC1=O 8690495 CYMBSIAOCBGUTO-UHFFFAOYSA-N 305.447 2.602 0 50 DFAA Cc1cccc2c1C(=O)NCCN2C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1 2325767621 DOBVNZMHESADOI-QDMKHBRRSA-N 312.413 2.898 0 50 DFAA Cc1nc(=NC2CCC(N3CCCC3=O)CC2)[nH]c2ccccc12 2325775646 WUZYJPFOVSBAQS-UHFFFAOYSA-N 324.428 2.706 0 50 DFAA CCc1c[nH]c2ncnc(N3CCC[C@H](n4cc(C)cn4)C3)c12 892386738 OGFBEKYAGBYENM-AWEZNQCLSA-N 310.405 2.867 0 50 DFAA CCn1ccc(CN2CC(O)(c3cccc4ccccc34)C2)n1 1462385980 FNHNSUIYWKKJNY-UHFFFAOYSA-N 307.397 2.760 0 50 DFAA COc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1 470710 IHZOOASIXNGQHK-UHFFFAOYSA-N 317.819 2.889 0 50 DFAA Cc1ccc([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)cc1 551633 PIKGGCLYRHMFBN-AWEZNQCLSA-N 304.371 2.699 0 50 DFAA Fc1ccc(NC(=S)N2CCC3(CC2)OCCO3)c(F)c1 609149 RHMRAMKGJQITQF-UHFFFAOYSA-N 314.357 2.501 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2cc(-c3ccccc3)nn2C)CC1 2356153429 GOMZSNWYBSPNTN-SHTZXODSSA-N 313.401 2.775 0 50 DFAA COc1cc(C)nc(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)n1 343423177 GWCMCTVCEWZJNU-WFASDCNBSA-N 317.393 2.513 0 50 DFAA CCOc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)cc1 4744970 TZCPSFGXFAZVCX-KRWDZBQOSA-N 316.445 2.920 0 50 DFAA CCOC(=O)[C@H]1CCCCN1Cc1cc(OC)ccc1OC 4990113 BGXIENKQZQUYCY-OAHLLOKOSA-N 307.390 2.621 0 50 DFAA Cc1noc([C@H](NC(=O)c2cc3c(s2)CCOC3)C(C)C)n1 112022718 GTUYZVRDMCGTPG-CYBMUJFWSA-N 321.402 2.639 0 50 DFAA O=C(NCc1ccccn1)C1CCN(C[C@H]2CC=CCC2)CC1 9680432 BEVKFQCZUHDBEF-INIZCTEOSA-N 313.445 2.766 0 50 DFAA c1ccc(COc2ccc(CN3CCN4CCC[C@@H]4C3)cc2)nc1 172192594 NZZVVOFBCKWGMI-LJQANCHMSA-N 323.440 2.941 0 50 DFAA Cc1ccc(CC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1 119153819 QQUCGOLFBRBZRZ-KRWDZBQOSA-N 311.429 2.752 0 50 DFAA CN(CC(=O)Nc1cccc(-c2cnn[nH]2)c1)Cc1ccccc1 346905596 WYJRTPCCJHQTOT-UHFFFAOYSA-N 321.384 2.542 0 50 DFAA CCCCn1ncc(C(=O)NC[C@H](CO)C2CCCCC2)c1C 357585420 XNMSBXJNWBWXTB-MRXNPFEDSA-N 321.465 2.910 0 50 DFAA CC(=O)Oc1c(C)cc(CN(C)Cc2nc(C)no2)cc1C 67851394 ILOVSBONSBFVDZ-UHFFFAOYSA-N 303.362 2.552 0 50 DFAA CC[C@H](C)C[C@H](CC)N[C@H]1CCCN(c2nccnc2O)C1 328629870 ISPFIYQCHOLKBX-KKUMJFAQSA-N 306.454 2.955 0 50 DFAA O=c1c2c3c(sc2[nH]c(=S)n1C[C@H]1CCCO1)CCC3 5843762 GBZXPGJDERPRAN-MRVPVSSYSA-N 308.428 2.788 0 50 DFAA CCCCc1nc(-c2nccn2-c2ccc3n[nH]nc3c2)c[nH]1 72163415 AKUGZDWTIZTJND-UHFFFAOYSA-N 307.361 2.876 0 50 DFAA CC[C@@H](NC(=O)CN(C)C1CCNCC1)c1ccc(C)cc1C 215425182 NMVYZEWFJXJTTK-GOSISDBHSA-N 317.477 2.555 0 50 DFAA OC1CCN(C2CCN(Cc3ccc4occc4c3)CC2)CC1 72411823 SPGXNFNEPGMGQW-UHFFFAOYSA-N 314.429 2.854 0 50 DFAA COc1ccc([C@@H](O)[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 71770109 JAYDRSVWHXKNAT-FGTMMUONSA-N 305.418 2.620 0 50 DFAA Cc1occc1-c1cc(NC2CCSCC2)n(CCO)n1 237680517 HEZJGVFSFRDZSF-UHFFFAOYSA-N 307.419 2.751 0 50 DFAA CS(=O)(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 34577800 BMIKJGOJWRBXBX-UHFFFAOYSA-N 301.411 2.505 0 50 DFAA O=S(=O)(NCCc1ccc(F)cc1)c1cc(F)ccc1F 13330461 IYLXFTPJOKBBLM-UHFFFAOYSA-N 315.316 2.625 0 50 DFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@H](F)C3)cc2)n1 72474198 FKQKPCWLSNUKGH-INIZCTEOSA-N 301.365 2.732 0 50 DFAA O=C(CCc1ccncc1)N1CCC[C@]1(CO)Cc1ccccc1 372770902 UAOZIOLBYVRKAY-HXUWFJFHSA-N 324.424 2.610 0 50 DFAA Cc1cc2c(cc1CN1CCC[C@@H](N(C)C)CC1)OCCO2 215612170 FGDZIWOWQOSEKI-MRXNPFEDSA-N 304.434 2.682 0 50 DFAA CCCc1occc1C(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 286202259 BNTYHOOSTBHNHO-GJZGRUSLSA-N 320.433 2.557 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1Br 239046300 FNEUYRSNLVHTKX-RBJBARPLSA-N 318.170 2.761 0 50 DFAA CC[C@H](C)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71757072 LECWZIXMONOCOQ-LBPRGKRZSA-N 317.433 2.877 0 50 DFAA CCC[C@H](NC(=O)c1c(OC)ccc(F)c1F)c1nccn1C 222443008 MZTOQVNXTJWHRV-NSHDSACASA-N 323.343 2.978 0 50 DFAA CCSCCN(C(=O)NCCn1cccn1)C1CCCCC1 426422072 YRZZJIJBBBOLDR-UHFFFAOYSA-N 324.494 2.981 0 50 DFAA COc1ccccc1O[C@@H]1CCCN(C(=O)c2ncc(C)o2)C1 291848376 URKFSYBFLOJDKU-CYBMUJFWSA-N 316.357 2.675 0 50 DFAA Cc1cc(C)n([C@H](C)CNC(=O)CCc2scnc2C)n1 82097836 DMOQFXDUTOPCTH-GFCCVEGCSA-N 306.435 2.575 0 50 DFAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCCOCC1 91678951 HDBVUDLWMOUWEJ-UHFFFAOYSA-N 302.418 2.535 0 50 DFAA CCC[C@@H]1CN(C(=O)c2ccccc2C(C)=O)C[C@H]1N(C)C 95498660 SYLIJOCROLQWSK-RHSMWYFYSA-N 302.418 2.692 0 50 DFAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)n1 95374813 GEIHCXHKLIPZHW-IAGOWNOFSA-N 313.445 2.727 0 50 DFAA C[C@@H]1CCC[C@H](N[C@H]2CC(=O)N(c3ccccc3)C2=O)[C@@H]1C 245377334 JUOJRKSGBSGLNG-VDERGJSUSA-N 300.402 2.733 0 50 DFAA Cc1ncsc1CCNC(=O)N[C@@H]1CCc2c(O)cccc21 297796399 DXMMJKJONKVBCX-CYBMUJFWSA-N 317.414 2.686 0 50 DFAA O=C(O)c1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 263443989 XIPJKPKJOBMVRZ-IBGZPJMESA-N 311.381 2.699 0 50 DFAA CSCC[C@H](N)C(=O)NCC1(c2cccc(F)c2)CCCC1 299781571 XCJKDNQYKUZWJF-HNNXBMFYSA-N 324.465 2.834 0 50 DFAA Cc1ccccc1COC1CN(C(=O)[C@]2(C)CCCCO2)C1 299783858 YTKNMNNBEVMVGU-SFHVURJKSA-N 303.402 2.682 0 50 DFAA O=C(Nc1cccc(CN2CCCC2)c1)c1cc2ncccn2n1 828219277 XKAMLPMLOFXLIV-UHFFFAOYSA-N 321.384 2.577 0 50 DFAA CCn1c(C)cc2cc(NC(=O)CCC(=O)N(C)C)ccc21 823582640 UQJQPCIWNNPSFI-UHFFFAOYSA-N 301.390 2.777 0 50 DFAA COc1ccccc1Cc1nc(C2(C)COC2)n(C(C)(C)C)n1 824821888 SELSYDYTTPIKAC-UHFFFAOYSA-N 315.417 2.920 0 50 DFAA CSC(C)(C)C[C@H](C)NCC(C)(C)N1CCN(C)CC1 670445175 MLDFHGCAYTYFSR-AWEZNQCLSA-N 301.544 2.522 0 50 DFAA CC[C@H](O)Cn1ncnc1-c1[nH]c2ccc(OC)cc2c1C 670437323 MMKZCTMHSZLEFZ-NSHDSACASA-N 300.362 2.514 0 50 DFAA C[C@@](O)(CNC(=O)c1cc(C2CCCCC2)n[nH]1)C(F)(F)F 270954298 UCJRRQCVDXKKLK-CYBMUJFWSA-N 319.327 2.501 0 50 DFAA O=C(O)c1cccnc1N1CCC(Nc2ccc(F)cc2)CC1 1875266560 WGTZCGPFFFILHK-UHFFFAOYSA-N 315.348 3.000 0 50 DFAA O=C(Nc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1C[C@H]1CF 1875309286 DTLPQGUAYAQHTN-WCQYABFASA-N 310.332 2.965 0 50 DFAA COc1ccc2c(c1)CC[C@H]1[C@H]2OCCN1C(=O)N(C)C1CC1 1875326870 PQJCCEBFFKOPOJ-IRXDYDNUSA-N 316.401 2.598 0 50 DFAA CN(C)[C@H](CNC(=O)N1CCC(=C(F)F)CC1)c1ccco1 952879459 RDACYHXZMRMGRE-GFCCVEGCSA-N 313.348 2.838 0 50 DFAA O=C1CC[C@H](c2nc(-c3ccco3)nn2CCc2ccccc2)N1 952869958 RBCSERGAMGYVQR-CQSZACIVSA-N 322.368 2.732 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C12CCSCC2 1772718041 HFFRBXZUGBSFDM-JTQLQIEISA-N 301.408 2.594 0 50 DFAA c1cncc([C@@H]2N(c3cc(-n4ccnc4)ncn3)CC23CCC3)c1 1354266324 KZLRFZXMFIZZPD-KRWDZBQOSA-N 318.384 2.789 0 50 DFAA Cc1ccc(C(N)=O)cc1NC(=O)N1CCc2ccc(F)cc21 1365123335 GOMGCPPSMCUJET-UHFFFAOYSA-N 313.332 2.828 0 50 DFAA Cc1cc(C(F)F)n(CC(=O)N2CCCCc3cccnc32)n1 1361624253 OAKXVZRGQNNJCF-UHFFFAOYSA-N 320.343 2.894 0 50 DFAA Cn1nccc1S(=O)(=O)N[C@@H]1CCC(C)(C)c2ccccc21 274106887 CKDJGRKQKPLBKP-CQSZACIVSA-N 319.430 2.511 0 50 DFAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc3[nH]ccc3c2)cn1 275494072 VIUVXQKGGZNGRW-DLBZAZTESA-N 324.384 2.552 0 50 DFAA C[C@@]1(Cc2ccccc2)NC(=O)N(c2cccnc2Cl)C1=O 170613864 KXTORDFXJQPSHL-INIZCTEOSA-N 315.760 2.793 0 50 DFAA O=C(c1sccc1-n1cccc1)N1CC[C@@H](N2CCCC2)C1 171443987 PRSCFOXGKQODGO-CQSZACIVSA-N 315.442 2.849 0 50 DFAA Cc1cc(C(=O)NCc2nccn2CC(F)(F)F)cs1 585081755 VXHGQWBRCRJJRJ-UHFFFAOYSA-N 303.309 2.745 0 50 DFAA Cc1c(CNC(=O)c2ccc(SC(F)(F)F)o2)cnn1C 585130979 HQLUOQAFHSCSIC-UHFFFAOYSA-N 319.308 2.863 0 50 DFAA c1cc2c(cc1-c1noc(CN[C@@H]3CCC[C@H]4C[C@@H]43)n1)OCO2 646091960 HLODPADRCDFSIZ-WCFLWFBJSA-N 313.357 2.744 0 50 DFAA O=C(c1ccc(-c2ccccn2)nc1)N(C1CCNCC1)C1CC1 653044469 HICWPXRIZQSBCW-UHFFFAOYSA-N 322.412 2.500 0 50 DFAA CCN(C[C@H]1CCCCO1)c1nc2cc(C(=O)O)ccc2n1C 1529173655 NQVPPKSXKQBACC-CYBMUJFWSA-N 317.389 2.667 0 50 DFAA O=C(O)c1cc(C=Cc2cncc(Br)c2)ncn1 1857530029 FDZDUFIELBWFCM-UHFFFAOYSA-N 306.119 2.503 0 50 DFAA CCOC(=O)c1c(F)ccc(I)c1F 160774391 PDMWGNIGTCWESW-UHFFFAOYSA-N 312.053 2.746 0 50 DFAA c1ccc2nc(N3CCC[C@@]4(CCc5c[nH]nc54)C3)cnc2c1 1775979224 YUMWOWKDMIIMOG-GOSISDBHSA-N 305.385 2.837 0 50 DFAA CCNC(=O)N1CCC[C@@](Cc2ccccc2)(C(=O)OCC)C1 15061527 RLEFSKLYGSMVDV-SFHVURJKSA-N 318.417 2.604 0 50 DFAA O=C([C@@H]1CCCO1)N1CCc2onc(-c3ccccc3F)c2C1 15068598 XVVWXBNGVFINKJ-HNNXBMFYSA-N 316.332 2.544 0 50 DFAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1ccon1 126399259 ZUHGWWYAZXGNJZ-LLVKDONJSA-N 305.765 2.727 0 50 DFAA CCOc1cccc(COC(=O)c2cccnc2OCC)n1 129099615 FKEADTLSQMFRJT-UHFFFAOYSA-N 302.330 2.631 0 50 DFAA O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CC[C@H](Cc2ccccc2)C1 378113802 XTXJFEXRSILBSX-HZPDHXFCSA-N 324.428 2.541 0 50 DFAA COC(=O)C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 584908856 OZNIVTKFSHOZEN-TUUVXOQKSA-N 316.401 2.628 0 50 DFAA O=C(NC1CC(c2ccccc2)C1)[C@@]1(O)CCc2ccccc2C1 585080896 KEDJNUBTHOGDDH-GZNCHQMQSA-N 321.420 2.969 0 50 DFAA CO[C@H](C(=O)Nc1nccnc1C1CC1)c1ccc(F)cc1 906421732 IVLLTDCOIAHKLK-AWEZNQCLSA-N 301.321 2.819 0 50 DFAA Cc1cccn2cc(C(=O)N3CCN(c4ccccn4)CC3)cc12 929083636 OESMTOLFFTZYLW-UHFFFAOYSA-N 320.396 2.605 0 50 DFAA CN(Cc1c(F)cccc1F)CN1C(=O)SC(C)(C)C1=O 840089520 OQAIKYPSCKUAMK-UHFFFAOYSA-N 314.357 2.828 0 50 DFAA C/C(=C\c1cc(F)cc(F)c1)CN(C)C[C@@H](O)c1ccnn1C 2325784324 UEKLARLQBILGHR-USAXFFIDSA-N 321.371 2.767 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2F)N1 186389 KQMMJWLHUVQLLA-JKSUJKDBSA-N 310.328 2.995 0 50 DFAA biogenic Cc1ccc(N2C(=O)C[C@H](N3CCCCCC3)C2=O)cc1C 1016068 PIOBHODODXRKJO-INIZCTEOSA-N 300.402 2.811 0 50 DFAA Cc1c(O[C@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3 2476031 PZGWUROEALRBFV-SNVBAGLBSA-N 302.326 2.832 0 50 DFAA CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc2c1CCC2 3684629 ZQGLOFDMZQALER-UHFFFAOYSA-N 324.446 2.740 0 50 DFAA COc1ccccc1CCN1C(S)=NC(C)(C)C[C@]1(C)O 4833393 MCIJTOLJMIEKKJ-INIZCTEOSA-N 308.447 2.716 0 50 DFAA COc1ccc(CCNc2ncnc3onc(C)c23)c(OC)c1 8596006 GGSFMFIFDNFXAB-UHFFFAOYSA-N 314.345 2.598 0 50 DFAA CC(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100633672 SAKZDPJUMLIXQB-KBPBESRZSA-N 319.744 2.634 0 50 DFAA CCCN(Cc1ccccc1OC)C(=O)[C@@H](N)CCSC 55575743 YFEYJGCFTJGNGD-AWEZNQCLSA-N 310.463 2.514 0 50 DFAA CC[C@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1nc(C)c[nH]1 55309142 CFTGJLWQHXFCDB-HNNXBMFYSA-N 316.405 2.576 0 50 DFAA O=C(Nc1nnc(-c2cccs2)s1)N[C@@H]1CCSC1 63855309 VIIDFFUHBCMRQN-SSDOTTSWSA-N 312.445 2.894 0 50 DFAA Cc1ccc(-n2cnnc2)c(C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)c1 329487712 GUCWJSKUDKBFHV-OTRWWLKZSA-N 322.412 2.694 0 50 DFAA c1cnc(N2CCN(CCCc3c[nH]c4ccccc34)CC2)nc1 20109975 GCBKRXGFKPFRNU-UHFFFAOYSA-N 321.428 2.713 0 50 DFAA C[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(NC(=O)C2CC2)cc1 252511648 JADUTLHZMWBFIK-JCURWCKSSA-N 302.418 2.989 0 50 DFAA COC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1391094 YKXYQLGOGZXVEE-UHFFFAOYSA-N 312.152 2.990 0 50 DFAA CC(C)(C)C1CCC(CN2C[C@H](O)[C@H](N3CCCC3)C2)CC1 230158010 FHBWMANKXRPRIO-HIEASXQVSA-N 308.510 2.980 0 50 DFAA CCc1noc([C@H](C)N2CCC[C@H]2c2c(C)nn(C)c2OC)n1 257365335 MIRIFWWWMMWYAY-RYUDHWBXSA-N 319.409 2.581 0 50 DFAA Oc1cccc(CN[C@H](c2ccc(F)c(F)c2)c2ncon2)c1 122056384 MOMQZWJXLMFTEN-OAHLLOKOSA-N 317.295 2.933 0 50 DFAA CCOc1ccc(CN2CC[C@H](n3nc(C)cc3C)C2)cn1 215967408 OYUNQGSPHNOLCC-INIZCTEOSA-N 300.406 2.741 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cccc(OC(F)F)c2)n1 219438921 PXEHANZMFGLEKB-LLVKDONJSA-N 323.343 2.920 0 50 DFAA CCCOC[C@@H]1CCN(c2nc(C(C)C)nc3c2cnn3C)C1 72144717 SRKIOWXSSHABTG-CYBMUJFWSA-N 317.437 2.740 0 50 DFAA COC(=O)[C@H](CC(F)(F)F)NC(=O)c1sccc1Cl 241776871 RTFSQSYAFAPHJI-LURJTMIESA-N 315.700 2.625 0 50 DFAA CCN(Cc1cc(OC)c2c(c1)OCO2)C[C@H]1CCCCO1 216524295 LJNIQPIYQMQCKM-CQSZACIVSA-N 307.390 2.815 0 50 DFAA COC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)cc2)cc1 13746899 MSXKIBOGIIJVGW-UHFFFAOYSA-N 314.297 2.815 0 50 DFAA Cc1cc(C)cc(C2(c3noc([C@H]4COCCO4)n3)CC2)c1 333264694 VBENRMMTVWEYPW-CQSZACIVSA-N 300.358 2.854 0 50 DFAA C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)c1cncs1 338910859 RHGBIFXKYOBNNO-SNVBAGLBSA-N 315.398 2.543 0 50 DFAA CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)no1 215818683 WLKHQAXIVZPUJV-LBPRGKRZSA-N 302.378 2.616 0 50 DFAA Cc1ccccc1NC(=O)C1=C(O)CN(c2ccccc2)C1=O 217426781 ILDIVPRRCQYUTQ-UHFFFAOYSA-N 308.337 2.792 0 50 DFAA C[C@@H](C1CCN(Cc2cc(CN(C)C)cs2)CC1)N(C)C 77356551 LUOCLSXIBBKZRZ-AWEZNQCLSA-N 309.523 2.972 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 263345023 YUHRSJOOQBZLDL-GFCCVEGCSA-N 315.291 2.871 0 50 DFAA CC[C@@H](Oc1ccccc1C)C(=O)NCCc1nnc(C)s1 291197522 KZMCZYQVLLSTTO-CYBMUJFWSA-N 319.430 2.671 0 50 DFAA CCOC(=O)c1cc(CN[C@@H]2CCc3c(O)cccc32)[nH]c1C 294921975 CSTVCMSYXQCLFS-MRXNPFEDSA-N 314.385 2.983 0 50 DFAA CC[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 96026492 VNHYWGUZOTUIPY-LJQANCHMSA-N 308.381 2.731 0 50 DFAA CN1CCCC[C@H]1CCc1ncnn1-c1ccc(F)cc1F 91417030 WRNUPVWLUOWZBV-ZDUSSCGKSA-N 306.360 2.962 0 50 DFAA CCC[C@H]1CN(C(=O)CCCOCc2ccccc2)C[C@@H]1N 91998174 PWLSRWDSEZTIBL-IRXDYDNUSA-N 304.434 2.569 0 50 DFAA CC(C)n1nccc1C(=O)N1CCC(Cc2cccnc2)CC1 330634944 UHZDXWQGKURPQJ-UHFFFAOYSA-N 312.417 2.954 0 50 DFAA Cc1ncc(C(=O)N2CCCC[C@H]2CCN2CCCC2)c(C)n1 91951961 ZXANFQXIRXNOGD-INIZCTEOSA-N 316.449 2.574 0 50 DFAA C[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CC[C@]1(C)O 91270548 SMMKUGDPHDGHAG-DYVFJYSZSA-N 303.381 2.604 0 50 DFAA COc1ccc2sc(C(=O)N3CC[C@@H](C(=O)O)C3)c(C)c2c1 237325643 NHOAZXOECTZGHW-SNVBAGLBSA-N 319.382 2.765 0 50 DFAA O=C(Cc1ccccc1F)N1CCC[C@@](CO)(CC2CC2)C1 91677109 FKOSIOWGIADYIH-GOSISDBHSA-N 305.393 2.769 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2O)c1 244787594 QAAVVBPODSJDGL-OWCLPIDISA-N 305.418 2.833 0 50 DFAA c1ccc2c(c1)OC[C@H](CCc1ccc(N3CCCC3)nn1)O2 243900890 AXEDPCXAODOJEM-HNNXBMFYSA-N 311.385 2.849 0 50 DFAA C[C@@](O)(CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 182166738 IRTNTKLUYSJIBP-LJQANCHMSA-N 310.397 2.870 0 50 DFAA O=C(O)Cc1c(Br)cc(F)cc1Br 263624396 QCNABRBOWKSEEL-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA Cc1cc(F)ccc1CN1CC[C@H](N(C)C)[C@H](CCCO)C1 91793057 VNPZHIWOBCDFOV-AEFFLSMTSA-N 308.441 2.659 0 50 DFAA O=C(c1cc2c(nc1O)CCC2)N1CC[C@H](Oc2ccccc2)C1 299801083 XQRUVULLNNNHCS-HNNXBMFYSA-N 324.380 2.569 0 50 DFAA CCc1c(C)nn(CCNC(=O)c2ccc(C(C)=O)s2)c1C 299786604 WMVHLDLHBHENSC-UHFFFAOYSA-N 319.430 2.756 0 50 DFAA CN(CC1(CO)CCC1)C(=O)CC1CC(C)(C)NC(C)(C)C1 828686029 XMOYMBNKSZVMHK-UHFFFAOYSA-N 310.482 2.554 0 50 DFAA CC[C@@H](C)Cc1nc(-c2cccc(CN)c2)n(CC(C)(C)O)n1 822619980 DCTRRTYJJHWIIJ-CYBMUJFWSA-N 316.449 2.763 0 50 DFAA Cc1nc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cs1 825317522 RDRRNZHANJPEFB-GFCCVEGCSA-N 321.471 2.907 0 50 DFAA C=CC(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 1865975596 GQOVFUPUUVEZFJ-MRXNPFEDSA-N 315.394 2.504 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F 269185745 LBXFANIGFFKWTH-NHULGOKLSA-N 308.372 2.797 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@]2(C)CCCC[C@H]2O)[nH]1 1875255422 ZLEUXFPCIYHFDK-AEFFLSMTSA-N 312.417 2.622 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)c2cccc(C)c2N)no1 1875279150 TWLCUROFPZPECZ-ZDUSSCGKSA-N 300.362 2.636 0 50 DFAA Cc1cnc(F)c([C@@H](C)N=c2[nH]nc(C(F)(F)F)s2)c1 1875306959 QYCWMEIPPJSWQH-ZCFIWIBFSA-N 306.288 2.994 0 50 DFAA CCc1nc(-c2cc3ccccc3nc2C)n(CCN(C)C)n1 1875331085 ODWBKMYKYGMNGY-UHFFFAOYSA-N 309.417 2.926 0 50 DFAA c1cc(NCC[C@H]2CCC3(CCOCC3)CO2)n2ccnc2n1 1875304938 ACGISEILNCIIOW-CQSZACIVSA-N 316.405 2.507 0 50 DFAA c1nc(SCCNCc2ccc([C@@H]3CCCCO3)o2)n[nH]1 952872414 NYGJOGREQYXFHQ-LBPRGKRZSA-N 308.407 2.521 0 50 DFAA COC[C@H]1CCCN(C(=O)C(C)(C)Nc2ccc(OC)cc2)C1 952966536 UVDWOPGVUOQPQZ-AWEZNQCLSA-N 320.433 2.771 0 50 DFAA C[C@@H]1C[C@H](NC(=O)NCC(C)(C)c2cccc(F)c2)CCO1 271330027 ZOEVTTOCCAJDBF-IUODEOHRSA-N 308.397 2.970 0 50 DFAA CCCN(Cc1nc(C(=O)OC)co1)[C@H]1C[C@H](OCC)C1(C)C 408519488 GVZGYEMOFXMCCH-KBPBESRZSA-N 324.421 2.877 0 50 DFAA C[C@@H]1CN(c2cc(C(=O)c3cccnc3)ccn2)C[C@H](C2CC2)O1 408524815 ZORBFJYJBHVUCH-CXAGYDPISA-N 323.396 2.711 0 50 DFAA Cc1nnc(CN[C@@H]2CCCC[C@H]2OCc2ccccc2)n1C 170085297 LPGZCFMRYUEVOG-IAGOWNOFSA-N 314.433 2.741 0 50 DFAA CC(C)Cn1ccnc1CNC(=O)N1CC(C)(C)OC(C)(C)C1 170604089 QTUCAZKEIPXMJZ-UHFFFAOYSA-N 322.453 2.638 0 50 DFAA O=C(Nc1ccn(CC(F)F)n1)c1ccc2nc(S)oc2c1 170652142 VVIFCFYZNZXMSB-UHFFFAOYSA-N 324.312 2.830 0 50 DFAA CCS(=O)(=O)c1ccccc1NC[C@@H](O)c1cccc(C)c1 170604511 JPWNSQIGABHPBW-MRXNPFEDSA-N 319.426 2.934 0 50 DFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc[nH]n1 187085925 XIPXRIHTNXMHSQ-QMTHXVAHSA-N 305.765 2.665 0 50 DFAA OCC1([C@@H](NCc2c(F)cccc2F)[C@@H]2CCCO2)CCC1 585116493 YPCIQGZEFNBZEF-HOTGVXAUSA-N 311.372 2.765 0 50 DFAA COc1ncc(CNc2ccc(CN3CCOC3=O)cc2)s1 585118359 LLWHDURZJAOABP-UHFFFAOYSA-N 319.386 2.716 0 50 DFAA CNC(=O)[C@H]1CCN(c2cc(C)c3ccc(Cl)cc3n2)C1 1506421501 QPRAXKKPTPIWKI-NSHDSACASA-N 303.793 2.769 0 50 DFAA Cn1ccnc1CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 1506412150 AHSYRXGKFHWAIO-OAHLLOKOSA-N 305.809 2.690 0 50 DFAA CCCn1nc(C)c(NC(=O)c2nn(C)c(C)c2Cl)c1C 1529189670 UBHBULBOHNSWRM-UHFFFAOYSA-N 309.801 2.858 0 50 DFAA CCn1ncnc1CN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529178524 MZNMZXBGIJOQQS-DLBZAZTESA-N 312.417 2.650 0 50 DFAA C[C@@H](NCC(C)(C)C(N)=O)c1ccc(Br)cc1F 128323973 DUCOFLUPSLYKQR-MRVPVSSYSA-N 317.202 2.750 0 50 DFAA N[C@@H]1CC12CC(NC(=O)CC1CCC(C(F)(F)F)CC1)C2 1615547731 VBKXOXOWVNILGB-KIPDHUPVSA-N 304.356 2.741 0 50 DFAA CC(C)CCN[C@H]1CCO[C@]12CCN(C(=O)OC(C)(C)C)C2 1616036601 YXUDQUIQBFYENF-YOEHRIQHSA-N 312.454 2.791 0 50 DFAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)O)cc1 1848443539 ZGLVSLXZJONGPE-UHFFFAOYSA-N 314.293 2.997 0 50 DFAA COCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1 12151022 VGZVLKXNWCWHGN-GFCCVEGCSA-N 317.364 2.568 0 50 DFAA O=C(c1cccc(F)c1)N1CCC(C(=O)N2CCCCC2)CC1 12864173 QQPCLUVFMSLRGH-UHFFFAOYSA-N 318.392 2.690 0 50 DFAA O=C(c1cccc(F)c1)N1CCN(Cc2cccc(F)c2)CC1 19293860 KQMOPDWHZJFOJE-UHFFFAOYSA-N 316.351 2.923 0 50 DFAA CC(C)c1cc(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)nc(=N)[nH]1 1857678977 OOWQUSBRPLIOFN-XQQFMLRXSA-N 302.422 2.569 0 50 DFAA COc1cccc(CN2CCN([C@@H]3CCC(C)(C)C3)CC2=O)c1 1857679659 PLQYQPZTOBJTKD-MRXNPFEDSA-N 316.445 2.918 0 50 DFAA Cc1cc(CC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)n(C)n1 421530060 UHDMWIYYOCJHIQ-QGZVFWFLSA-N 311.429 2.923 0 50 DFAA Cc1ccccc1C(=O)NCC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 120455395 DMWJWFCMAMETSW-KUHUBIRLSA-N 314.429 2.764 0 50 DFAA COCc1n[nH]c(C)c1-c1ccc([C@@H](C)N2CCOCC2)cc1 426593897 XKPHODAMDPNWHZ-CQSZACIVSA-N 315.417 2.925 0 50 DFAA CC1(C)[C@@H](CNC(=O)CCc2ccc(C(=O)O)cc2)C1(F)F 659223795 UKQASFGTMVQRAF-GFCCVEGCSA-N 311.328 2.725 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 249689787 JUWFYPVOUNGNPN-HUUCEWRRSA-N 316.401 2.504 0 50 DFAA COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](N)C2)c1 261946359 MHZQCRXZYZJPPM-VYDXJSESSA-N 302.418 2.876 0 50 DFAA CCN1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 20661356 NZAACDRUNHMOSW-UHFFFAOYSA-N 316.232 2.569 0 50 DFAA CN(C)C(=O)c1ccc(CNCC2C3CC4CC(C3)CC2C4)[nH]1 2325725267 CYTFDJMDQFBXIE-UHFFFAOYSA-N 315.461 2.878 0 50 DFAA COCC[C@](C)(O)C(C)(C)CNC(=O)[C@]1(C)CCC(F)(F)C1 2325766553 IVQFOKDOTKMVHW-CABCVRRESA-N 321.408 2.742 0 50 DFAA CNC(=O)NCCCNCc1ccc(-c2ccsc2)cc1 2325783957 NXDNSAAUMQTINZ-UHFFFAOYSA-N 303.431 2.824 0 50 DFAA Cc1[nH]c2ccccc2c1CCC(=O)N[C@@H](CO)c1ccco1 2325807834 WQDCCSLIJGBBFV-INIZCTEOSA-N 312.369 2.852 0 50 DFAA O=C1CCCc2c(cccc2-c2ccc3c(c2)C(=O)NCCO3)N1 904860093 NRRIMOYTKDERJX-UHFFFAOYSA-N 322.364 2.751 0 50 DFAA COc1ccc(C(=O)CSc2nnc(C)s2)cc1OC 52828 PIWKHUBNBVPKDI-UHFFFAOYSA-N 310.400 2.839 0 50 DFAA Cc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O 102089 MHIHNCDFQXOZNP-UHFFFAOYSA-N 308.337 2.538 0 50 DFAA O=C(N/C(=C/c1ccco1)C(=O)N1CCCCC1)c1ccco1 169109 VPIAASHQBLIXSS-WYMLVPIESA-N 314.341 2.656 0 50 DFAA COc1ccc([C@H]2O[C@@H]2C(=O)O)cc1OCc1ccccc1 2155688 ZEPGLAKHUZBGSK-CVEARBPZSA-N 300.310 2.799 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cccc(N(C)C)c3)C[C@H]21 2356137353 KWGPRBPGUMYCJV-WDYCEAGBSA-N 316.445 2.766 0 50 DFAA CCOC(=O)CCc1ccc(C(=O)CCCC(=O)OC)cc1 3137215 DMYUYGFLXUPIAY-UHFFFAOYSA-N 306.358 2.708 0 50 DFAA O=C(NCc1ccccc1F)C(=O)Nc1ccccc1Cl 4850523 VJQYWTVDXYDTDR-UHFFFAOYSA-N 306.724 2.734 0 50 DFAA CCCNS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 6704032 IGYNTWGMZKDPNJ-UHFFFAOYSA-N 324.446 2.894 0 50 DFAA COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)on2)cc1 6706645 SFMVIIGMEJEIJL-UHFFFAOYSA-N 310.375 2.782 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)CC1 6726358 UIDUQRFZSDBXLU-CVEARBPZSA-N 308.466 2.966 0 50 DFAA CNC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)c(C)c1 58232402 JTEBLMDUTBYSST-UHFFFAOYSA-N 320.352 2.550 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1csc(C2CC2)n1 247113134 PGTLACIYEXAUPR-WXHSDQCUSA-N 320.414 2.878 0 50 DFAA CCN(CC)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 135106070 NUEKWQKLPLUKIF-UHFFFAOYSA-N 321.377 2.604 0 50 DFAA CCCn1ncc(C(=O)NCc2n[nH]c3c2CCCCC3)c1C 67803692 WVLLWSLMCQGBNU-UHFFFAOYSA-N 315.421 2.524 0 50 DFAA CCOc1ncccc1CNCC(=O)Nc1cccc(F)c1C 65397678 HQINFEVCPXNRPX-UHFFFAOYSA-N 317.364 2.656 0 50 DFAA Cc1ccc(NC(=O)CC(=O)N(C)Cc2ncccc2C)cc1 67490438 NZNHVKVYDJBMTM-UHFFFAOYSA-N 311.385 2.686 0 50 DFAA Cc1c(-c2ccccc2)noc1NC(=O)c1cnn2ccn(C)c12 1506399473 OBBGUFNFFZTSLM-UHFFFAOYSA-N 321.340 2.889 0 50 DFAA Cc1nc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cs1 65403355 ADJLPXAEPSJUGY-UHFFFAOYSA-N 306.435 2.853 0 50 DFAA CC(C)c1nccn1[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 65425667 YTWQPKSKESYMPJ-GFCCVEGCSA-N 315.373 2.613 0 50 DFAA c1ccc(CN2CCC[C@H]3CN(CCn4ccnc4)CC[C@@H]32)cc1 131745791 XKMMBROULDIIDK-PMACEKPBSA-N 324.472 2.870 0 50 DFAA O=C(c1cccc(Cl)n1)N1CCCN(C2CCCC2)CC1 172422899 UYAFRBZFVDDSSC-UHFFFAOYSA-N 307.825 2.826 0 50 DFAA O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1 1051 VMIYHDSEFNYJSL-UHFFFAOYSA-N 316.158 2.634 0 50 DFAA biogenic,world O=C(CCn1cc(Br)cn1)NC1CCCCCC1 6828486 XBKDKRIQWXLEBE-UHFFFAOYSA-N 314.227 2.875 0 50 DFAA COc1ccc(CNC(=O)c2cc3cccc(O)c3oc2=N)cc1 7068720 MMORKBLGCWERKO-UHFFFAOYSA-N 324.336 2.556 0 50 DFAA Cc1cc(NC(=O)C2CCC(O)CC2)nn1C1CCCCC1 329623298 SBKZNSYRSCTBQF-UHFFFAOYSA-N 305.422 3.186 0 50 DFAA CN1CC[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@@H]21 219996627 ZBGUOSNLJSIHET-CJNGLKHVSA-N 318.848 2.924 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2cnn(C)c2)C1 363715107 STMDUPKIOPGYME-GFCCVEGCSA-N 317.364 2.588 0 50 DFAA Cc1ncn(CCNC(=O)CCSCc2ccccc2)c1C 219426171 BKSKEZOPEBHMPR-UHFFFAOYSA-N 317.458 2.940 0 50 DFAA COCCN(C)CCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 241124259 JGTLQOLDDRHSNA-HOTGVXAUSA-N 324.852 2.528 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)CCc2ccoc2)c1 337522540 WKDZBCGFHSZIJT-DOTOQJQBSA-N 315.369 2.555 0 50 DFAA CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@H]1CCOC1 72432366 LDZJBHAXCUEYSZ-SNVBAGLBSA-N 308.428 2.867 0 50 DFAA Cc1nn(Cc2ccccc2)c(N)c1C(=O)N1CC[C@H](C2CC2)C1 376112900 JBIVQIRFQYUHED-INIZCTEOSA-N 324.428 2.694 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CCC1CCOCC1 237644856 PWAFXJISWKQYNK-INIZCTEOSA-N 319.401 2.834 0 50 DFAA O=C(CCc1ccc(F)cc1)NC1CCN(C2CCC2)CC1 456693976 HBOGCXLBNTVJOC-UHFFFAOYSA-N 304.409 2.891 0 50 DFAA Cc1noc(C2CC2)c1NC(=O)N[C@@H](C)CN1CCCCC1 129264600 AQOSNCDZIVHZFR-NSHDSACASA-N 306.410 2.856 0 50 DFAA O=C(N[C@H]1CC[C@H](NC(=O)C2=CCCC2)CC1)C1=CCCC1 245788029 IIKDFYDMQYAOJN-WKILWMFISA-N 302.418 2.751 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CCC(c4ncon4)CC3)cc2c1 426407675 PKWGLZPNBVGNHK-UHFFFAOYSA-N 310.357 2.879 0 50 DFAA O=C(c1ccc[nH]1)N1CCC([C@H](O)CCc2ccccc2)CC1 20999918 JMNPQQNDICVJQI-GOSISDBHSA-N 312.413 2.861 0 50 DFAA C[C@@H](C(=O)OCc1nnnn1-c1ccccc1)c1ccccc1 181534632 KFDSZGMMCBPIRH-CYBMUJFWSA-N 308.341 2.509 0 50 DFAA CO[C@H]1Cc2ccccc2N(Cc2n[nH]c(C(C)(C)C)n2)C1 292840328 FFEYFCOVANYXEC-ZDUSSCGKSA-N 300.406 2.680 0 50 DFAA CCOC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 97600971 BOBZSXQGGMKMNM-OAHLLOKOSA-N 316.401 2.623 0 50 DFAA O=C(c1cnn2c1CCC2)N1CCc2[nH]c3ccc(F)cc3c2C1 294554172 YRBDXVLPGDGYTN-UHFFFAOYSA-N 324.359 2.648 0 50 DFAA O[C@@H]1CCCOC12CCN(Cc1ccc3occc3c1)CC2 95373599 FSJIMGCBFCRMQP-QGZVFWFLSA-N 301.386 2.939 0 50 DFAA CC(C)CC(=O)N1CCC[C@@H](c2nccn2CCCN(C)C)C1 95508402 AASSCEKKIRRESX-MRXNPFEDSA-N 320.481 2.587 0 50 DFAA Clc1nc(Cl)c2cc(I)[nH]c2n1 238562781 WLDZKOXGMANWEW-UHFFFAOYSA-N 313.913 2.869 0 50 DFAA CCn1cncc1CN1CC[C@]2(CC(=O)c3ccccc3O2)C1 244646996 GTEHKKJXFHFRJX-SFHVURJKSA-N 311.385 2.513 0 50 DFAA CN(Cc1cncn1C1CCCCC1)CC1(CO)CCOCC1 244796137 RTPWXSASCLVGOY-UHFFFAOYSA-N 321.465 2.609 0 50 DFAA C[C@H](NC(=O)c1ccc(=O)oc1)[C@H]1[C@H]2CC[C@@H]3C[C@@H](C2)C[C@@H]13 245310658 JKUIUOHKHIBIIS-OJFWXXFXSA-N 301.386 2.830 0 50 DFAA CCc1nc(CNC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)n[nH]1 297575851 TTXUAAPIZJBOEI-GFCCVEGCSA-N 319.796 2.677 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)[C@H]4CCCC[C@]43C)[C@H]1CCC2=O 257345959 NTGNMXPYTNTRBO-RJRASIDXSA-N 306.446 2.930 0 50 DFAA N[C@@H]1CCCN(C(=O)CSC23CC4CC(CC(C4)C2)C3)C1 534661124 PFCSMZDMOLXHMB-UZZMVUAXSA-N 308.491 2.638 0 50 DFAA CO[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3N)cc2)C1 534654497 ZQZRPVYADWZXFY-HNNXBMFYSA-N 311.385 2.582 0 50 DFAA CC1(CNC(=O)c2cccc(-c3ccncc3F)c2)COC1 299791190 DUYHQHDJNGGNFU-UHFFFAOYSA-N 300.333 2.654 0 50 DFAA O=C(NC[C@H]1CCCN(Cc2ccoc2)C1)c1ccsc1 828196025 FVQUGTSPZYMPEI-CYBMUJFWSA-N 304.415 2.983 0 50 DFAA CC[C@](C)(CCNc1cc(N)nc(N)n1)c1ccccc1OC 824810471 QQZBNGQVHIYCOH-QGZVFWFLSA-N 315.421 2.820 0 50 DFAA COc1c(F)cccc1NCc1cnc(N2CCCC2)nc1 1875284022 JZAKUSSYZOCQDD-UHFFFAOYSA-N 302.353 2.837 0 50 DFAA C[C@H]1c2ccccc2N(S(=O)(=O)c2c[nH]nc2Cl)[C@@H]1C 1875280970 JAIHNEDQKYQSFY-RKDXNWHRSA-N 311.794 2.764 0 50 DFAA CO[C@H]1C[C@@H]2C[C@H](C(=O)Nc3cc(C(C)(F)F)no3)C[C@@H]21 1875307534 PRPJTBJEGFELRM-XKNYDFJKSA-N 300.305 2.786 0 50 DFAA O=C1NCCN[C@@H]1c1cccc(-c2cc(C(F)(F)F)ccn2)c1 952882703 IMSFLXTUWFDYBJ-CQSZACIVSA-N 321.302 2.528 0 50 DFAA CN(Cc1ccc(F)cc1Cl)C[C@H]1OCC[C@H]1c1nc[nH]n1 952890604 WLIANHPJYVXPEW-TZMCWYRMSA-N 324.787 2.602 0 50 DFAA C=CS(=O)(=O)CCC(=O)Nc1ccc(F)c(-n2cccc2)c1 952882349 VFJJCOUCIXCCNO-UHFFFAOYSA-N 322.361 2.503 0 50 DFAA Cc1ccc(C(=O)NCCc2nc(C(C)C)nn2C)cc1Cl 952994715 UIYBQYQFKJHICN-UHFFFAOYSA-N 320.824 2.873 0 50 DFAA CC(C)(C)n1nc(COc2cccc(F)c2)nc1CCCN 952988490 DSBCDPZKNGTMGQ-UHFFFAOYSA-N 306.385 2.643 0 50 DFAA CC[C@@H](c1ccccn1)N(C)C(=O)CCn1c(C)cccc1=O 952981228 CVVGAGIVOULBKV-INIZCTEOSA-N 313.401 2.552 0 50 DFAA CC(C)CCOCCNC(=O)NC[C@@](C)(O)CCC(C)C 1775988629 WHXXRVBRMGDVPY-INIZCTEOSA-N 302.459 2.536 0 50 DFAA C[C@H]1C[C@@H](CCNC(=O)NCCc2ccccc2F)CCO1 273318252 JRTRISKLSSEPES-KBPBESRZSA-N 308.397 2.873 0 50 DFAA Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccnn2C)c1C 274204618 UDSQQGDDZCHRFI-HNNXBMFYSA-N 319.430 2.563 0 50 DFAA C[C@H](CCc1ccco1)N[C@H]1CCCO[C@@H]1c1nccn1C 275715179 YOVOPWVKLPUURD-KBMXLJTQSA-N 303.406 2.844 0 50 DFAA O=S(=O)(NCc1ccc(F)cc1)c1c[nH]c2cccc(F)c12 170598320 QNNPLVSFBQFUTN-UHFFFAOYSA-N 322.336 2.925 0 50 DFAA CC(C)n1c(CCNC(=O)c2ncccc2O)nc2ccccc21 170651648 NMPLTWZIWYZSKX-UHFFFAOYSA-N 324.384 2.690 0 50 DFAA Cc1cc(-c2nc(C3CCCCC3)no2)ccc1S(N)(=O)=O 170606720 DXCRWIXQSZDNSJ-UHFFFAOYSA-N 321.402 2.740 0 50 DFAA Fc1cccc2c(N3CCCN(c4cccnn4)CC3)ccnc12 170608311 BELOXLLEYRXVQX-UHFFFAOYSA-N 323.375 2.881 0 50 DFAA CCN(C(=O)c1nc(C)oc1C)[C@@H](C)[C@@H](O)c1ccccc1 408521925 AKWUVDHCYBHLIP-MEDUHNTESA-N 302.374 2.876 0 50 DFAA O=C(/C=C/COCC(F)(F)F)N1CCOC2(CCCCC2)C1 408523884 VVSSDXJWJDIPTG-SNAWJCMRSA-N 321.339 2.683 0 50 DFAA Cc1nc(C)n(C2CN(C(=O)CCc3ccccc3Cl)C2)n1 646097183 DDNHXWYCXWAWIX-UHFFFAOYSA-N 318.808 2.564 0 50 DFAA CN1CC[C@@H]2CN(c3nc(-c4ccccc4)ccc3C(=O)O)C[C@@H]21 216616506 ACMNHCCYOYHWBG-PBHICJAKSA-N 323.396 2.587 0 50 DFAA Cc1ccccc1C1=CCN(CC(=O)Nc2cccnn2)CC1 1615002903 RPDKNQNTFDHZJX-UHFFFAOYSA-N 308.385 2.513 0 50 DFAA Cc1ccc(CN[C@H]2CCOC3(CC(C(=O)O)C3)C2)cc1C 1615003177 GQKVBJKNSCMOBZ-PQUAAJSLSA-N 303.402 2.805 0 50 DFAA CCNc1ncc(-c2nccn2-c2ccc3c(c2)COC3)cn1 1772810850 PROYFXYEPFKPEI-UHFFFAOYSA-N 307.357 2.791 0 50 DFAA CCc1ccc(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)cc1 1775977726 LCDAEEJOOCAGPH-QGZVFWFLSA-N 318.461 2.818 0 50 DFAA OC1(CNc2nnc(CSc3ccncc3)o2)CCCCC1 1772708116 BLMSWLZOXOGSOC-UHFFFAOYSA-N 320.418 2.864 0 50 DFAA COc1ccc(OC)c(-c2cn3c(CC(=O)O)csc3n2)c1 5066088 NRCFDHJYUQGPQQ-UHFFFAOYSA-N 318.354 2.707 0 50 DFAA CCCN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 5060709 JXZHXCUECIFWTP-UHFFFAOYSA-N 305.466 2.692 0 50 DFAA O=c1[nH]c(=O)c2sc3nc4c(c(C(F)F)c3c2[nH]1)CCCC4 12363354 BGEMPQYASFSMLM-UHFFFAOYSA-N 323.324 2.643 0 50 DFAA CCn1ccnc1CN(C)c1nncc(-c2ccc(F)cc2)n1 12440600 BPMMMRZFDKXBQF-UHFFFAOYSA-N 312.352 2.531 0 50 DFAA Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)s1 12590189 OSEOZZOXPKITGB-CYBMUJFWSA-N 320.458 2.854 0 50 DFAA OCC1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 12702031 WZLXUSUOGMARAF-UHFFFAOYSA-N 307.781 2.594 0 50 DFAA CC(C)(C)OC(=O)N1CCN(c2ccnc3[nH]ccc23)CC1 14401129 SETNUDBXVJYSGE-UHFFFAOYSA-N 302.378 2.620 0 50 DFAA CN(Cc1ccccc1CN1CCCC1)c1ncc2cn[nH]c2n1 1857709593 HJDIXEOOMGSCFV-UHFFFAOYSA-N 322.416 2.585 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 237659976 JJFIYBJFZKATHL-GOSISDBHSA-N 317.385 2.945 0 50 DFAA Cc1ccc(CC(=O)N2CC[C@H](C(=O)O)c3ccccc32)cn1 669434878 MCZVTVHVHXXWKU-HNNXBMFYSA-N 310.353 2.538 0 50 DFAA Cn1nccc1[C@@H]1CCCCN1C(=O)COC1CCCCC1 374192632 HXBVISZNODAUDT-INIZCTEOSA-N 305.422 2.823 0 50 DFAA CN1CC[C@@H](CN(C)C(=O)c2c[nH]c3cc(Cl)ccc23)C1 591262970 MOVOYIFNDIGJND-LLVKDONJSA-N 305.809 2.845 0 50 DFAA NC[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 223638747 QXTYVSOMQIGWFN-MRVPVSSYSA-N 306.715 2.780 0 50 DFAA NC[C@H]1CCCN1C(=O)CCc1ccc(Cl)cc1Cl 238033899 PQXJPYPUEXUVOA-GFCCVEGCSA-N 301.217 2.876 0 50 DFAA Cc1ccc(-c2nc(C(F)(F)F)n(C)n2)c(-n2cccn2)c1 2100542796 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CS(=O)(=O)c1ccc2c(c1)CCN(Cc1cccs1)CC2 374849382 CQJQLSVOAHBEMO-UHFFFAOYSA-N 321.467 2.752 0 50 DFAA C[C@H](N[C@@H]1CCC[C@H]1CCO)c1nc(O)c2ccccc2n1 240900761 ITQMFQRJCYJRBB-SGMGOOAPSA-N 301.390 2.537 0 50 DFAA Cc1cc(C(=O)N2CCC(OCCc3ccccc3)CC2)on1 342570881 PTOOEQAUFWLCDO-UHFFFAOYSA-N 314.385 2.847 0 50 DFAA C[C@@H](NC(=O)N[C@@H]1CCc2cc(F)ccc21)c1ccn(C)n1 457957018 OHDUVODNDZAEDB-MEBBXXQBSA-N 302.353 2.607 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1Cc2ccccc2CN1 325071879 XORFWCISDXZQKR-GOSISDBHSA-N 318.380 2.525 0 50 DFAA CN(Cc1ncc[nH]1)C(=O)c1ccc(N2CCCC2)c(Cl)c1 221162404 HOIOMXGHPGHRAS-UHFFFAOYSA-N 318.808 2.936 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccnc(C(C)C)n1 426380281 CGTFNSPOQZUMCE-LBPRGKRZSA-N 301.394 2.773 0 50 DFAA Cc1cc(=O)cc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)[nH]1 426429784 JSYACQPCAYBHSC-GFCCVEGCSA-N 316.788 2.966 0 50 DFAA Cc1nn2c(O)nncc2c1-c1cccc([C@@H](C)N2CCCC2)c1 426519007 RDUBYTAKLFYBIY-CYBMUJFWSA-N 323.400 2.962 0 50 DFAA C[C@H](Cc1cccs1)NC(=O)c1cnc(-c2ccncc2)nc1 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165678527 VWSZSCSYQMWUQX-AWEZNQCLSA-N 308.740 2.646 0 50 DFAA CCN1CCN([C@@H](C)CN[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 222100121 NOQMRVBDRPYTTD-BMFAXAFESA-N 307.526 2.817 0 50 DFAA COc1cc(F)c(NC(=O)N[C@H](CO)C(C)(C)C)cc1F 170072980 XETSXKGAZYOSDN-GFCCVEGCSA-N 302.321 2.502 0 50 DFAA CCO[C@@H](C(=O)N1C[C@@H](C)Oc2ncccc21)c1ccccc1 170608855 XZLCEEILFTXPFZ-CZUORRHYSA-N 312.369 2.973 0 50 DFAA CNC(=O)c1cnc(/C=C/c2nccn2-c2ccccc2)s1 170611002 ICPMSOGDIVDRGF-BQYQJAHWSA-N 310.382 2.859 0 50 DFAA CSCc1nnc(S[C@H]2CCc3ccccc3NC2=O)o1 187824647 RUTYUERPBFAGON-NSHDSACASA-N 321.427 2.978 0 50 DFAA CC(C)(C)n1cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)nn1 187828407 UGAVDKDIYZTAOI-OAHLLOKOSA-N 312.417 2.784 0 50 DFAA COc1cc(CNc2cccc3c2CNC3=O)c2c(c1)C[C@H](C)O2 585083554 DFFPFKMVOHJVQL-NSHDSACASA-N 324.380 2.874 0 50 DFAA C[C@H](O)c1ncc(CNc2cnn(-c3ccccc3)c2)s1 585084364 INDLUUKKTVVDAE-NSHDSACASA-N 300.387 2.994 0 50 DFAA O=C(Nc1ccc2c(c1)COC2)C(=O)Nc1ccc2[nH]ccc2c1 189686070 UEAMOMPEARSBBV-UHFFFAOYSA-N 321.336 2.775 0 50 DFAA CC(C)c1cccc2c1CCN(C(=O)N[C@H](C)C[S@](C)=O)C2 191417534 KEXXGDAEJQAZLW-DMZKTXOQSA-N 322.474 2.645 0 50 DFAA CC[C@@H](Nc1nc(N2CCCC2)nc(C)c1C)c1ccnn1C 1529158707 JXKZZUKWMSKHOC-CQSZACIVSA-N 314.437 2.990 0 50 DFAA C[C@H]1CN(C(=O)CCc2cncn2C)CCc2ccc(F)cc21 1616031761 LJWAFDGIOGDHCM-ZDUSSCGKSA-N 315.392 2.680 0 50 DFAA COCC1(C(=O)O)CCN(Cc2ccccc2C2CC2)CC1 1616031369 QSRUWSZBHRUINE-UHFFFAOYSA-N 303.402 2.877 0 50 DFAA C[C@]1(c2nc(-c3ccc(Br)cn3)no2)CCOC1 331551452 JCGPKSHMLJZLHG-LBPRGKRZSA-N 310.151 2.572 0 50 DFAA O=C(Cc1cnn2ccccc12)N1CC=C(c2ccccc2)C1 1631450353 CBQNAFBHEAZHQP-UHFFFAOYSA-N 303.365 2.803 0 50 DFAA O=C(COc1ccc2ccccc2c1)N1CCC[C@@H]1C1(O)CC1 1772819893 WRGAFHRYNFJPAU-QGZVFWFLSA-N 311.381 2.735 0 50 DFAA CC(C)CN1CCC([C@H]2CCN(C(=O)c3ccncc3)C2)CC1 12201186 SPMHICRTCWAKIA-SFHVURJKSA-N 315.461 2.912 0 50 DFAA O=C1CC[C@@H](CCNCc2cccnc2)N1CCc1ccccc1 12242837 BVBYBGQPQHLGAE-IBGZPJMESA-N 323.440 2.795 0 50 DFAA C[C@H]1CN(C[C@H](O)COc2ccccc2C(C)(C)C)C[C@@H](C)O1 13130458 HEIQUICBMLVKRZ-XHSDSOJGSA-N 321.461 2.833 0 50 DFAA CN(CCc1ccccn1)c1ncccc1CNc1cnccn1 15064077 CIXOQXODAZXHFW-UHFFFAOYSA-N 320.400 2.558 0 50 DFAA O=C(NCCCc1ccccc1)c1n[nH]nc1-c1ccc(F)cc1 206652330 BOCYXBLQHCNLNT-UHFFFAOYSA-N 324.359 2.973 0 50 DFAA COc1cc(-c2nccn2-c2c(C)n[nH]c2C)cc(OC)c1O 1857685000 MYTXXJBOHFMQFI-UHFFFAOYSA-N 314.345 2.602 0 50 DFAA CC(C)(C)NC[C@@H](O)COc1ccc(Br)cc1 4279511 BEYIXVQIKUZLIL-LLVKDONJSA-N 302.212 2.577 0 50 DFAA Cc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cnn1C(C)(C)C 457107118 DYFSQGULALVLEX-CQSZACIVSA-N 306.454 2.501 0 50 DFAA CC(C)Oc1ccc(CCNC(=O)c2ccc(CO)cc2)cc1 585100458 XJGOATVYDBRZMX-UHFFFAOYSA-N 313.397 2.939 0 50 DFAA C[C@H]1OC(=O)N[C@@H]1c1nc(-c2ccc(Br)cc2)no1 585133503 JXAMIHOZSROVIY-MUWHJKNJSA-N 324.134 2.669 0 50 DFAA CCO[C@@H]1C[C@@](NC(=O)c2cccc(F)c2C)(C(=O)O)C1(C)C 263051421 AALPNANKUAUXFH-CXAGYDPISA-N 323.364 2.522 0 50 DFAA Cc1nc2ccc(Cl)cn2c1NC(=O)[C@H]1CCCN1C1CC1 912538541 YPMCIDGJLOKCGK-CYBMUJFWSA-N 318.808 2.861 0 50 DFAA 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303.745 2.766 0 50 DFAA Cc1ccc(CN2CCC[C@@]23CCCNC3=O)c2cccnc12 2356166314 SFQONCHACWLQGC-LJQANCHMSA-N 309.413 2.788 0 50 DFAA O=C(NCCCN1CCCC1=O)c1cc2c(s1)CCCCC2 3613285 ZULSFMJGGKXSHD-UHFFFAOYSA-N 320.458 2.759 0 50 DFAA O=C(CCSc1nnc2ccccn12)Nc1ccc(F)cc1 3893037 UHCZREFKUQAXRH-UHFFFAOYSA-N 316.361 2.989 0 50 DFAA CCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C 4838152 WOIAHERNVGDKAC-UHFFFAOYSA-N 319.426 2.915 0 50 DFAA O=C(Nc1cccc(F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3 7652777 IRRUGWFHUWERBZ-UHFFFAOYSA-N 323.327 2.734 0 50 DFAA Brc1cnc(CNCCc2nccs2)s1 308862238 VQFUIQIORFROQX-UHFFFAOYSA-N 304.238 2.694 0 50 DFAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)CCN1CCCCO1 55036375 CUHBGPMFIOYSQI-ZDUSSCGKSA-N 306.410 2.519 0 50 DFAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@H]2c1ccccn1 65396095 YJKUWLAPJUJANK-ZDUSSCGKSA-N 304.353 2.956 0 50 DFAA Nc1ccnc(N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)n1 67650276 LORGHJNXONYDKP-CQSZACIVSA-N 320.400 2.833 0 50 DFAA CC1(C)CNC(=O)c2nc(Cc3ccccc3Cl)[nH]c2C1 65407169 FFTPCJZWKPSGTN-UHFFFAOYSA-N 303.793 2.966 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c1ccc2c(c1)CC[C@@H](N1CCN(Cc3ccncc3)CC1)C2 72478039 PFCJOIIJSSFLRE-HXUWFJFHSA-N 307.441 2.757 0 50 DFAA CN(Cc1cccc(-n2cccn2)c1)c1ncnc2[nH]ccc12 77488822 YVHLJVLOFMMWDP-UHFFFAOYSA-N 304.357 2.780 0 50 DFAA Cc1nnsc1CN1CC[C@@H](Cc2ccc(C(=O)O)cc2)C1 72462716 NJLPUUZUUHHQTK-ZDUSSCGKSA-N 317.414 2.609 0 50 DFAA O=C(CCc1cscn1)NCc1ccc(-c2cc[nH]n2)cc1 368859059 DPBOXQSNJIUMLE-UHFFFAOYSA-N 312.398 2.782 0 50 DFAA CCOc1ccccc1CCC(=O)N1CCC[C@@H](C)[C@H]1CN 236906174 XQWMCDHKJYBNBB-GDBMZVCRSA-N 304.434 2.604 0 50 DFAA Cc1cccc(C)c1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 283738198 XEYCEDVDVUJJEI-RDJZCZTQSA-N 317.429 2.601 0 50 DFAA Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72422502 OFPHFQDXLIWKRQ-ZDUSSCGKSA-N 323.400 2.625 0 50 DFAA C[C@H](c1ccc(Cl)cc1)N1CCN(CCCC(=O)O)CC1 173972899 SKXXARMREXDQGM-CYBMUJFWSA-N 310.825 2.883 0 50 DFAA O=C(OC[C@@H]1CCCN1)c1cccc(NC(=O)C2CCCC2)c1 238048989 BOBCMGPJQKGKBY-INIZCTEOSA-N 316.401 2.724 0 50 DFAA Cc1sc2ncnc(N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)c2c1C 72151129 SKYMKCTVHWZJFU-FNFFVJSTSA-N 301.415 2.922 0 50 DFAA CCN1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1Cl 74497184 CWSZLEGSSXKOBH-CQSZACIVSA-N 309.841 2.966 0 50 DFAA CCOC(=O)Cc1ccccc1NC(=O)c1nc(C)oc1C 340346451 YKMMKDZMGJGPLO-UHFFFAOYSA-N 302.330 2.649 0 50 DFAA O=C(NC[C@H](CCO)c1ccccc1)c1c(F)ccc(O)c1F 240225371 DHMQWGWIEQFCIA-LBPRGKRZSA-N 321.323 2.566 0 50 DFAA OCC1(CN2CCCC2)CCN(CCCc2ccccc2)CC1 220594041 KHDLBNFFPLIBTG-UHFFFAOYSA-N 316.489 2.790 0 50 DFAA CO[C@H]1CCCC[C@H]1NC1CCN(Cc2ccccn2)CC1 341604081 JUJYIVCDRSMHMW-MSOLQXFVSA-N 303.450 2.593 0 50 DFAA OCc1ccc(CN2CCO[C@H](Cc3ccccc3Cl)C2)o1 19300920 CVOMJNBPBBQHJW-MRXNPFEDSA-N 321.804 2.869 0 50 DFAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cncc(F)c1 222482502 GXYPRDSTHDWGKR-JJXSEGSLSA-N 304.365 2.544 0 50 DFAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(Cl)s1 223363786 FROCJSQYRRRRMH-MNOVXSKESA-N 315.822 2.715 0 50 DFAA CCN(Cc1ccncc1)C(=O)N[C@H](C)Cc1cccc(C)n1 426475611 ZHERXBWGYROMHT-OAHLLOKOSA-N 312.417 2.948 0 50 DFAA CN1CC[C@H]2CN(Cc3c(Cl)ccc(O)c3Cl)C[C@H]21 97370251 UHTLAPGHRCIMEO-JOYOIKCWSA-N 301.217 2.835 0 50 DFAA O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H]1c1cccnc1 91871271 GGHRTHLGTHPGAX-QGZVFWFLSA-N 319.364 2.900 0 50 DFAA Cc1cnc(CNC(=O)Nc2ccccc2OC(C)C)cn1 96154145 RIVHRJHWPVJDMW-UHFFFAOYSA-N 300.362 2.894 0 50 DFAA CC(C)c1nc(CN(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)co1 97425571 ZUTZUUOBMOHIOQ-ZDUSSCGKSA-N 307.438 2.877 0 50 DFAA O=C(c1cccc(-n2cnnc2)c1)N1CC[C@@H]1c1ccc(F)cc1 91997457 UEVTYIGRCGSZBG-QGZVFWFLSA-N 322.343 2.994 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)c2ccc(CO)cc2)C1 95364138 DNZPLCUMTAIRMO-UHFFFAOYSA-N 311.381 2.699 0 50 DFAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc2ncsc2c1 268171484 DZFAUQXLLXXLKY-HZMBPMFUSA-N 301.415 2.509 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCOCC3)ccn2)c(F)c1 97347069 YVRWZZHYTKDSHN-UHFFFAOYSA-N 300.333 2.669 0 50 DFAA COCCCN1CC[C@H](CNC(=O)Nc2cc(F)ccc2C)C1 96141876 WFUVGASIWOSQMB-CQSZACIVSA-N 323.412 2.614 0 50 DFAA O=C(Cc1ccncc1)N1CCC[C@H]1C[C@@H](O)c1cccs1 182085028 ZMOTYACSEOEYRO-LSDHHAIUSA-N 316.426 2.800 0 50 DFAA C[C@H](CN(C)C)[C@H]1CCCCN1C(=O)Nc1ccc(F)cn1 623051938 FQCPPRPFJRDCJW-TZMCWYRMSA-N 308.401 2.805 0 50 DFAA CCN(C(=O)Cc1ccc2c(c1)NC(=O)C2)c1nc(C)cs1 182798746 ZZJDPYASKPHTDT-UHFFFAOYSA-N 315.398 2.542 0 50 DFAA O=C(C/C=C/c1ccccc1F)N1CCC[C@H]1Cn1ccnn1 299746558 YDKNNJPZJSBXPQ-VFQAQYNWSA-N 314.364 2.512 0 50 DFAA Cc1cnn([C@H](C)CNC2CCN(Cc3ccco3)CC2)c1 534586295 UWYNFJXVGLYOAS-OAHLLOKOSA-N 302.422 2.600 0 50 DFAA CCCc1nnsc1C(=O)NCCCc1nc(C)cs1 299756161 IGSOOPFVUJPPSF-UHFFFAOYSA-N 310.448 2.618 0 50 DFAA CCn1ccc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1=O 584903508 BWCRNBWDPZSGRX-HOTGVXAUSA-N 314.429 2.981 0 50 DFAA O=C(NC1CCCCC1)N[C@@H]1CCCN(C(=O)c2ccco2)C1 586005006 OTZLETZYEFCYHL-CQSZACIVSA-N 319.405 2.516 0 50 DFAA Nc1ncc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)s1 584885334 NAFNVNGWLMXGJA-AAEUAGOBSA-N 319.405 3.006 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@H](SCC)C2)CC1 1875365699 PWDMGXVBYBKPKW-HNNXBMFYSA-N 324.490 2.545 0 50 DFAA Cc1cccc2cc(OC[C@@H]3C[N@]3Cc3cnn(C)c3)cnc12 1875379215 OGWQMAZXGBNJSR-AOMKIAJQSA-N 308.385 2.540 0 50 DFAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(c2ncon2)CC1 952995561 QBXLIYQURLCWTJ-HZSPNIEDSA-N 321.421 2.652 0 50 DFAA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ccncc2Cl)C1 1775956993 NPEWISALCYIOOH-GXTWGEPZSA-N 319.792 2.803 0 50 DFAA COC(=O)c1sc(N)nc1-c1cccc(Br)c1 38537131 NXKPBFWGNXNBSI-UHFFFAOYSA-N 313.176 2.941 0 50 DFAA in-vitro CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncc(Cl)cn1 275486255 IQYSLESCUBKUSB-RYUDHWBXSA-N 307.785 2.679 0 50 DFAA C[C@@H](Sc1nnc(-c2cccnc2)n1C)C1CCOCC1 408522810 MAXSWMHVQPIHLR-LLVKDONJSA-N 304.419 2.784 0 50 DFAA Cc1nc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)sc1C 170603212 CUXORWAWCWRKDM-AWEZNQCLSA-N 323.462 2.861 0 50 DFAA COCCOc1ccc(NC(=O)C2CSC2)cc1Cl 585132286 SGPQDMZFWPVRCP-UHFFFAOYSA-N 301.795 2.667 0 50 DFAA COc1ncccc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 193445547 RNPHVNOFGLCSDY-XJKSGUPXSA-N 320.339 2.676 0 50 DFAA Cc1ncc(CNC(=O)NCCO[C@H]2CCCC[C@@H]2C)s1 194410742 PEQFLQVORSDQJB-FZMZJTMJSA-N 311.451 2.846 0 50 DFAA COc1ccc2c(c1)OCCN([C@@H](C(=O)O)c1ccccc1)C2 652446642 PDMSMUDQUMCSAS-QGZVFWFLSA-N 313.353 2.716 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(C(C)C)cc3)C[C@H]2O)n[nH]1 1529101940 RPLJQVNZOYETQY-IEBWSBKVSA-N 313.445 2.877 0 50 DFAA O=C(c1ccc[nH]1)N1CCC2(CC1)OCCc1sccc12 1704330218 GAARCPMDHCWTRQ-UHFFFAOYSA-N 302.399 2.780 0 50 DFAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCCN2CCC[C@@H]12 1772804450 PHSRLUBZXMCZHW-ROUUACIJSA-N 311.429 2.762 0 50 DFAA Nc1nc(-c2cc(Cl)c(O)cc2F)cc(N2CCCC2)n1 1772810880 OWYAEQXBGUHWMK-UHFFFAOYSA-N 308.744 2.824 0 50 DFAA CCOc1ccc(NC(=O)c2nnn(-c3ccccc3)c2N)cc1 11612232 VLQUHXZDOUMRHA-UHFFFAOYSA-N 323.356 2.501 0 50 DFAA O=C(c1cn(Cc2ccccc2F)nn1)N1CCCCCCC1 15080206 NMZKMUYJZFBIJV-UHFFFAOYSA-N 316.380 2.872 0 50 DFAA COC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1F 16578545 IEXQUAMOSXHRCC-UHFFFAOYSA-N 323.345 2.554 0 50 DFAA CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc2ccccc2c1 16651675 IDBCIMCVSMAAQB-SJORKVTESA-N 319.426 2.764 0 50 DFAA COc1cnc(C)cc1C(=O)N1CCC[C@H]1c1cc(C)no1 1857673377 QXWDIHUSQOFXSL-ZDUSSCGKSA-N 301.346 2.672 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl 194923 UPVGHMMSSMAUAA-LLVKDONJSA-N 315.156 2.794 0 50 DFAA CCCOc1cc(C)ccc1CNC(=O)c1snnc1C 225558530 ZWKKUFWQTDFGJG-UHFFFAOYSA-N 305.403 2.874 0 50 DFAA CCc1ccc([C@H]2COCCN2C(=O)c2ccncc2F)o1 127303424 MNAGJIOHFBMPFJ-CQSZACIVSA-N 304.321 2.590 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)CCCc1nc2ccccc2s1 237383912 JYRLLZHVTAMTFM-CHWSQXEVSA-N 317.458 2.957 0 50 DFAA CC(=O)Nc1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 12249851 TZFGXOGXSRKYOI-CKEIUWERSA-N 320.433 2.648 0 50 DFAA O=C(NCc1ccsc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 252487351 VTDVROQSVXTGRT-MGPQQGTHSA-N 306.431 2.895 0 50 DFAA C[C@@H]1CCOCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 367749988 OZSHYGCQMGFRSZ-GFCCVEGCSA-N 319.792 2.777 0 50 DFAA O=C(c1ccc(Oc2ccccc2)o1)N1CC(F)(F)C[C@@H]1CO 372556711 XSLWTUAFPKBZCC-LLVKDONJSA-N 323.295 2.914 0 50 DFAA c1cc(-c2nnc3ccc(=N[C@H]4CCC[C@H]4C4CC4)[nH]n23)ccn1 2325767431 QZFIPHFNIGNQAN-GJZGRUSLSA-N 320.400 2.599 0 50 DFAA O=C(Cn1nnc2ccccc21)N1C[C@@H](F)C[C@H]1c1ccccc1 2325790344 GQBCAIZGIZLWDW-YOEHRIQHSA-N 324.359 2.743 0 50 DFAA Cn1cc(CN2CCC(c3c[nH]c4cccnc34)CC2)ccc1=O 2325807568 DKYXXQROHKLHRK-UHFFFAOYSA-N 322.412 2.641 0 50 DFAA CC1(NC(=O)c2ccccc2)CN(c2ncnc3ccsc23)C1 2325865284 VSGPTIHZQDWLFH-UHFFFAOYSA-N 324.409 2.700 0 50 DFAA Cc1cc(C)cc(NC(=O)Cn2cnc3ccccc3c2=O)c1 107881 YZMIDTZJJQYTOU-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA NC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 286842 AJBSMUQOCSPILE-UHFFFAOYSA-N 316.188 2.723 0 50 DFAA COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1OC 371531 DUJDWXZEBDJCII-UHFFFAOYSA-N 315.325 2.727 0 50 DFAA CC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 420158 OWCGXFFCBITLFG-UHFFFAOYSA-N 315.394 2.636 0 50 DFAA CCOc1ccc(-c2csc(NC(=O)/C=C/C(=O)O)n2)cc1 474679 GJPLXODSICPNEY-BQYQJAHWSA-N 318.354 2.788 0 50 DFAA O=C(Nc1cccc2nonc12)c1ccc(Br)o1 1432704 SNTMGDXRSSDFJH-UHFFFAOYSA-N 308.091 2.831 0 50 DFAA CCOC(=O)c1cc(C(=O)Nc2ccccc2Cl)nn1C 2795155 PPURINVNRYUECZ-UHFFFAOYSA-N 307.737 2.503 0 50 DFAA FC(F)(F)c1ccn(Cc2nc3c4ccccc4ncn3n2)n1 2808177 PXANNKCVCKBOMZ-UHFFFAOYSA-N 318.262 2.541 0 50 DFAA CC(C)CCNC(=O)CCSCCC(=O)NCCC(C)C 4651039 GGSAQIDCXHERIW-UHFFFAOYSA-N 316.511 2.824 0 50 DFAA CCOC(=O)C[C@@H](NC(=O)C1CC1)c1ccc(OCC)cc1 4653338 LXXOQGHFDGOJLJ-OAHLLOKOSA-N 305.374 2.606 0 50 DFAA Clc1ccc(CNCCCN2CCOCC2)c(Cl)c1 4858675 HETGJUAMYQQCKX-UHFFFAOYSA-N 303.233 2.805 0 50 DFAA COc1ccccc1CN1CCC(C(=O)N2CCCC2)CC1 5676418 NXSRNVVOSBQAOH-UHFFFAOYSA-N 302.418 2.530 0 50 DFAA COc1cc(CCc2cc(OC)c(O)c(OC)c2)ccc1O 5999089 YTRAYUIKLRABOQ-UHFFFAOYSA-N 304.342 2.909 0 50 DFAA biogenic,in-vitro COCC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 6702776 HTTHWUCXBPDZCU-UHFFFAOYSA-N 312.369 2.510 0 50 DFAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cnc(N)nc2)C1 13594572 UXMKJWOVJNFDLS-ZDUSSCGKSA-N 316.430 2.524 0 50 DFAA C[C@@H](Cc1cccnc1)N1CCC(CCC(=O)NC2CC2)CC1 15076742 IYCPAFSQCIZVFU-HNNXBMFYSA-N 315.461 2.783 0 50 DFAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3cccnc3)n2)c1 16578018 DJGZEDCJJNVBFJ-UHFFFAOYSA-N 308.341 2.930 0 50 DFAA CCOc1ccccc1NC(=O)[C@H](C)NC(=O)c1ccccc1 20399022 LTRZVZQEZDCYDV-ZDUSSCGKSA-N 312.369 2.842 0 50 DFAA Cc1nc(NCc2noc([C@H]3CCCO3)n2)c2ccsc2n1 55403862 VWTCUBVWRTYRKL-SNVBAGLBSA-N 317.374 2.846 0 50 DFAA c1ccc(CCc2nc([C@H]3CCOC3)n(-c3ccccn3)n2)cc1 65394029 XMGXBFIQIKVRLL-INIZCTEOSA-N 320.396 2.951 0 50 DFAA Cc1nc(CCn2cnc3ccccc32)n(-c2ccccn2)n1 65433303 OAYNGXPQPTXOSJ-UHFFFAOYSA-N 304.357 2.563 0 50 DFAA c1ccc(CN2CC[C@H](NCc3noc(-c4ccco4)n3)C2)cc1 67691005 PANXZRRSDZBWCY-HNNXBMFYSA-N 324.384 2.694 0 50 DFAA c1ccc(-c2nc(Cc3c[nH]cn3)n(-c3ccccn3)n2)cc1 67742543 LVJHVMQALUXOGT-UHFFFAOYSA-N 302.341 2.643 0 50 DFAA CN(Cc1ccoc1)C(=O)c1cn(CC2CCCCC2)nn1 72146687 GIXIBNYAZBCAGK-UHFFFAOYSA-N 302.378 2.724 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)N2CCCCC[C@H]2CO)c1 72417892 KOSCTJVHPCWBRT-KRWDZBQOSA-N 319.445 2.767 0 50 DFAA O=C(c1cc[nH]c1)N1CCC(N2CCc3ccccc3C2)CC1 72439959 ONTJFFJQHXDYDW-UHFFFAOYSA-N 309.413 2.678 0 50 DFAA Cc1cc(F)ccc1CN1C[C@H](CO)[C@H](CN2CCCCC2)C1 91548205 WTMACMYJNDTVAC-QZTJIDSGSA-N 320.452 2.660 0 50 DFAA CSc1ccccc1[C@H](C(=O)O)N(C)CC1CCOCC1 95382553 SKFAVGTYCAHSQS-OAHLLOKOSA-N 309.431 2.893 0 50 DFAA c1ccc(COc2ccc(CN3C[C@@H]4CC[C@H]3CNC4)cc2)nc1 97744714 LPGYBLUSWVXXSO-MJGOQNOKSA-N 323.440 2.844 0 50 DFAA CCNC(=O)c1cccc(-c2cc(OC)cc(C(=O)OC)c2)c1 97757315 DUAAQRNTUAYGMI-UHFFFAOYSA-N 313.353 2.899 0 50 DFAA Cc1ccc(C[C@@H]2C(=O)N(c3nc(C)cc(C)n3)C(=O)[C@H]2C)cc1 101309217 VNHPBAHRXUZUNO-HOCLYGCPSA-N 323.396 2.770 0 50 DFAA O=S(=O)(Nc1ccc(N2CCCCC2)cn1)c1ccccc1 116601635 AHJJUUCLWQNYPX-UHFFFAOYSA-N 317.414 2.873 0 50 DFAA O=C(NCCOC1CCCCCC1)N[C@H]1CCO[C@H](C2CC2)C1 124261066 KSCWOGCUELUREN-RDJZCZTQSA-N 324.465 2.983 0 50 DFAA Cc1c([C@H]2CCCN2C(=O)c2c(O)cccc2F)cnn1C 131034522 IKBUXIADAGRKMG-CYBMUJFWSA-N 303.337 2.551 0 50 DFAA CC(C)Cn1cc(C(F)F)c(C(=O)NCc2ccncc2)n1 134447927 KYZTYYUMSBJCLH-UHFFFAOYSA-N 308.332 2.802 0 50 DFAA O=C(O)C(=O)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 170596130 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O=C(NC[C@H](CO)CC1CCCCC1)c1ccc2[nH]cnc2c1 252479319 BCYPBLVRAMSYCL-CQSZACIVSA-N 315.417 2.872 0 50 DFAA CN(C(=O)c1cc2c(s1)CCOC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252515344 IVZDSGWTAAOPMD-KCPJHIHWSA-N 321.442 2.706 0 50 DFAA COc1ccc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)c(C)c1 252517210 BYSLFSDESAQTQU-CAVOSLQRSA-N 304.390 2.532 0 50 DFAA C[C@@H]1CCN(CCc2ccnn2C)CCN1Cc1ccccc1 253421241 SNQBDURJUIPVDN-QGZVFWFLSA-N 312.461 2.559 0 50 DFAA O=C1CCCc2cc(C(=O)N3CCOC4(CCCC4)C3)ccc21 293213665 CXFQZSCGAMTOCF-UHFFFAOYSA-N 313.397 2.991 0 50 DFAA Cc1ncsc1CNC[C@@H]1CCN(C)[C@H]1c1cccnc1 328627479 GGYNIBOROAPPFP-HOCLYGCPSA-N 302.447 2.629 0 50 DFAA C[C@@H]1CCN(C(=O)c2cc3nccnc3cc2F)[C@H](C(=N)O)C1 332530970 RKQABKJKIKRHGU-OTYXRUKQSA-N 316.336 2.545 0 50 DFAA CCNc1ccc(Cl)cc1C(=O)NCc1cnn(CC)c1 343165110 LVRDFOFOEYSIMN-UHFFFAOYSA-N 306.797 2.918 0 50 DFAA CN(CCCOc1ccccc1)C(=O)c1cnn2ccccc12 346541718 IVKJLRVXRNAAQF-UHFFFAOYSA-N 309.369 2.875 0 50 DFAA C[C@@H]1C[C@H](CO)CCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12 354249925 BRIBHUJHCKTSGD-VXGBXAGGSA-N 320.820 2.983 0 50 DFAA CCC1=C(C(=O)N2CC[C@H](O)c3ccccc3C2)CCCO1 372779144 DJYNRTXETIKGNH-INIZCTEOSA-N 301.386 2.927 0 50 DFAA Cn1c(CN[C@H]2CCc3ccccc3OC2)nnc1C1CCC1 374617122 AUKIAEFJADJBIQ-HNNXBMFYSA-N 312.417 2.566 0 50 DFAA Cn1ccnc1-c1cccc(NC(=O)c2ccc3nc[nH]c3n2)c1 378370061 KOABCOGISCMWON-UHFFFAOYSA-N 318.340 2.611 0 50 DFAA Cn1c(=O)oc2cc(CN[C@H]3CCOC4(CCCC4)C3)ccc21 408072326 ROGJIWFIAFIMOT-AWEZNQCLSA-N 316.401 2.713 0 50 DFAA COc1ccc2c(c1)[C@H](C(=O)Nc1ccc3nn[nH]c3c1)CC2 408514678 AJMYKSIGPCZDMH-CYBMUJFWSA-N 308.341 2.635 0 50 DFAA COc1ccc(-c2nnc(N3CCC[C@@](F)(CO)C3)s2)cc1 420625378 IBBGEEUNSVCSAB-HNNXBMFYSA-N 323.393 2.515 0 50 DFAA Cc1ccc(SC2CCN(C(=O)NCCN(C)C)CC2)cc1 426598878 MRYSEJHRSTXXGC-UHFFFAOYSA-N 321.490 2.823 0 50 DFAA Cc1nonc1COc1ccc(N=S2(=O)CCCC2)cc1 585123155 YBQBBHXJVTVSQW-UHFFFAOYSA-N 307.375 2.850 0 50 DFAA C[C@H](c1nc2ccccc2n1C(F)F)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 585133913 ZRLMNLQRMCXKSR-FJJYHAOUSA-N 320.387 2.984 0 50 DFAA O=S(=O)(C[C@@H]1CCCCO1)Nc1ccccc1-c1ncco1 585136955 ZYVAFDQUVXCYPF-LBPRGKRZSA-N 322.386 2.652 0 50 DFAA Cc1cccc(CNC(=O)CCCN2CCCCC2=O)c1C 828026948 MRGJYNKOVXARQI-UHFFFAOYSA-N 302.418 2.712 0 50 DFAA CCn1ncc(CN(CCCO)[C@H]2CCCc3ccccc32)n1 838849862 GXNFXJYCJMPXFN-SFHVURJKSA-N 314.433 2.560 0 50 DFAA O=C(c1ocnc1C1CC1)N1Cc2ncccc2N2CCC[C@H]2C1 890626819 OTXQNSWEUAOIHE-ZDUSSCGKSA-N 324.384 2.572 0 50 DFAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCO[C@]2(CCOC2)C1 935435100 VKPUKZBNOGJIRT-QGZVFWFLSA-N 307.390 2.517 0 50 DFAA C1=C(CN2CCC(Nc3nccn4cnnc34)CC2)CCCC1 952992573 OUQSXZGWUQNDCV-UHFFFAOYSA-N 312.421 2.501 0 50 DFAA O=Cc1cn(CC(=O)N2CCC[C@H]2c2ncc[nH]2)c2ccccc12 1152143460 BENRUQMEXDKVGQ-INIZCTEOSA-N 322.368 2.541 0 50 DFAA Cc1ncc(CN(CCO)Cc2cccc(C(F)(F)F)c2)[nH]1 1704311269 BXCNPCBLOQCRKO-UHFFFAOYSA-N 313.323 2.731 0 50 DFAA Cc1ccc(OCCNc2ncc(F)c(N(C)C)n2)cc1C 1772702685 IFXQAGJZKMXEGA-UHFFFAOYSA-N 304.369 2.789 0 50 DFAA c1cncc([C@H](CNc2ncnc3cc[nH]c23)N2CCCCC2)c1 1772817939 JUEQTUCGQVHVMO-INIZCTEOSA-N 322.416 2.992 0 50 DFAA CNc1cc(NCC2(c3ccc(F)cc3)CCOCC2)ncn1 1775994542 PGIGPBHRIIVKFB-UHFFFAOYSA-N 316.380 2.818 0 50 DFAA CCCN(CCc1ccccn1)C(=O)NCCc1ncoc1C 1875318896 YQTLXTMAPLFFHR-UHFFFAOYSA-N 316.405 2.585 0 50 DFAA Cc1ccc2[nH]cc(-c3noc([C@@]4(C)CCOC4)n3)c(=O)c2c1 1875321069 SRGBACLWXAPWES-KRWDZBQOSA-N 311.341 2.565 0 50 DFAA Cc1c(Cl)cccc1N1CCCN(C(=O)/C=C/[C@H](C)N)CC1 1875338333 ULNGHWAPSIQWHZ-GWJCSSMESA-N 321.852 2.591 0 50 DFAA CC(C)c1cc(NC(=O)c2cnc(-c3ccccn3)nc2)n(C)n1 2100544919 BCHOLJKIVGNIDI-UHFFFAOYSA-N 322.372 2.648 0 50 DFAA O=C(CC[C@@H]1CCOC1)Nc1ccc(NC(=O)C2CCC2)cn1 2325781481 UEPZEZWMXMWGHH-GFCCVEGCSA-N 317.389 2.575 0 50 DFAA Cc1nc2ccc(N(C)Cc3cc(=O)c(O)co3)cc2s1 2332237368 FRBCDUIQXFONGI-UHFFFAOYSA-N 302.355 2.900 0 50 DFAA Cc1nc(=NCC2(c3ccccc3)CCN(C)CC2)[nH]c(C)c1C 2356141875 UCOOTYDHLJFNRE-UHFFFAOYSA-N 324.472 2.899 0 50 DFAA Cc1cc(C)nc(SCC(=O)NCCc2ccccc2)n1 379331 VBSKKYNXTWORIH-UHFFFAOYSA-N 301.415 2.544 0 50 DFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc2ccccc2s1 475378 SIZYDADBBWKEHI-ZJUUUORDSA-N 302.355 2.902 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1scnc1C 343349291 BFHKIFJLPWBOLW-SWLSCSKDSA-N 306.435 2.535 0 50 DFAA O=C(CCCC(=O)NCc1ccccc1)NCc1ccccc1 1620957 HOXOPIHPIRQXCD-UHFFFAOYSA-N 310.397 2.790 0 50 DFAA COc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 4986136 POHNKNUAAXCWGI-LLVKDONJSA-N 315.325 2.830 0 50 DFAA COc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1 225679878 FOBOERAARURZSH-WBVHZDCISA-N 315.344 2.782 0 50 DFAA CC(C)n1ccnc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281624626 HTMWGZMAIOAXKD-JKSUJKDBSA-N 303.381 2.911 0 50 DFAA COc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1 8535081 QCBDEVFTLHTRGS-CQSZACIVSA-N 301.386 2.745 0 50 DFAA O=C(COC[C@@H]1CCCCO1)N1C[C@@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 102538149 BZJLNIJARLXUJN-BIVLZKPYSA-N 307.434 2.609 0 50 DFAA O[C@@H](CN1CCCC[C@H]1Cn1cccn1)c1cccc(F)c1 247762030 HZJNURYUUVBBSF-IRXDYDNUSA-N 303.381 2.610 0 50 DFAA CCCn1cnnc1CNC(=O)c1cc2cc(C)ccc2nc1C 55242903 OXCMSAMIZHKEGW-UHFFFAOYSA-N 323.400 2.783 0 50 DFAA COc1cccc(OCCOCCOc2ccc(C=O)cc2)c1 22238497 PPRNAYVYFUHXNN-UHFFFAOYSA-N 316.353 2.982 0 50 DFAA Cc1ccccc1C[C@@]1(CO)CCCN(C2CCOCC2)C1 20859360 MRLZGFVJHHZGJV-IBGZPJMESA-N 303.446 2.791 0 50 DFAA O=C(O)CCN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 67847369 RKBFYZXNQLLPQA-UHFFFAOYSA-N 305.765 2.563 0 50 DFAA Cc1ccsc1-c1cn(C[C@@H](CO)Cc2ccco2)nn1 67820607 WPSXXTKXSDAVRT-LBPRGKRZSA-N 303.387 2.759 0 50 DFAA Cc1cc(F)ccc1C(=O)Nc1ccccc1OCCC(N)=O 120965777 IPDJZHLUNLYJFA-UHFFFAOYSA-N 316.332 2.641 0 50 DFAA COc1cccc(C(=O)Nc2ccc(C(=O)O)c(C)c2)c1OC 320222823 HEFVBYXKSUKZGS-UHFFFAOYSA-N 315.325 2.963 0 50 DFAA Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)n(C)n1 363336414 FGFBYHLVNJIMAO-UHFFFAOYSA-N 324.384 2.664 0 50 DFAA O=C(N[C@H](CO)CC1CCC1)C1(Oc2ccc(Cl)cc2)CC1 355512449 STFPHKNYAOPTOG-AWEZNQCLSA-N 323.820 2.919 0 50 DFAA O=C([C@H]1CCC(F)(F)C1)N1CCN(CCc2ccccc2)CC1 358935006 NMFBRYBAFGDLRA-INIZCTEOSA-N 322.399 2.809 0 50 DFAA CC(C)n1ncnc1CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 331361914 ZRAOTZXMTFLBLO-QWRGUYRKSA-N 318.343 2.844 0 50 DFAA COc1ccc(/C=C/C(=O)N2CCCC[C@H]2[C@H](C)N)cc1F 237304117 WSKXZXNFAJYSGS-PSZCTONISA-N 306.381 2.576 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 237493884 CZPQHUZTBNZELW-HIFRSBDPSA-N 311.385 2.826 0 50 DFAA C[C@@H](N[C@H]1CCOC2(CCC2)C1)c1ccc2c(c1)NC(=O)CO2 449124576 GWWQVPFDTCRGDL-OCCSQVGLSA-N 316.401 2.770 0 50 DFAA O=c1[nH]nc([C@H]2CCCN([C@H]3CCc4c(Cl)cccc43)C2)o1 284444758 ZQSSKKWEHACWAO-HZMBPMFUSA-N 319.792 2.883 0 50 DFAA Cc1nc(CN2CCC[C@]2(CO)Cc2ccccc2)oc1C 375470377 POFCRLBGUBPSGA-GOSISDBHSA-N 300.402 2.861 0 50 DFAA Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1 285452148 YEAPGKCMIODERD-OAHLLOKOSA-N 305.403 2.634 0 50 DFAA Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1c(C)noc1C 175038023 BSCBXOFPYVGGGY-JTQLQIEISA-N 322.386 2.576 0 50 DFAA O=C(c1cc(C2CC2)on1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 178574010 NRVKYYPYPZMCQH-XJKSGUPXSA-N 315.417 2.641 0 50 DFAA COc1ccc(CN2CCC[C@H](c3nnc4ccccn34)C2)cn1 131786852 TZNANIOUDXLYBX-HNNXBMFYSA-N 323.400 2.513 0 50 DFAA CCCCn1nccc1NC(=O)N[C@H]1COC2(CCCC2)C1 96164549 FPFHWZKXHKQDDO-CYBMUJFWSA-N 306.410 2.906 0 50 DFAA CC(C)[C@H]1N(c2ncc(Br)cn2)C[C@@]12CCCO2 294159078 RMCZZKSUDCZUDH-YPMHNXCESA-N 312.211 2.633 0 50 DFAA CC(C)c1cc(CN2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)on1 91964691 UMLUYUTUWFZTHP-KDOFPFPSSA-N 322.449 2.798 0 50 DFAA CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@H](N)C[C@H]2C)c1 236751160 LKNANVDCLZIMKL-SWGAWFCGSA-N 302.418 2.825 0 50 DFAA CN(Cc1cc(C2CC2)on1)Cc1nnc(-c2ccco2)o1 244774054 PNDXXFXHLAVPPV-UHFFFAOYSA-N 300.318 2.827 0 50 DFAA O[C@]1(CN[C@@H](c2ccncc2)c2ccc(F)cc2)CCSC1 183696927 FJBRFCCLEZDMGX-SJORKVTESA-N 318.417 2.768 0 50 DFAA COc1ccccc1O[C@H]1CCCN(C(=O)c2ccoc2)C1 375974605 NPSOXCBIUVFDRC-AWEZNQCLSA-N 301.342 2.972 0 50 DFAA COc1c(F)cccc1CN1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 299772138 ZYOSWZCFHDLHPG-QILLFSRXSA-N 323.408 2.993 0 50 DFAA COc1ccc(S(=O)(=O)N2C[C@H]3CC[C@H]2C3)cc1Cl 298876305 WCYQDMYRSAHMGI-UWVGGRQHSA-N 301.795 2.522 0 50 DFAA CCSc1ccccc1NC(=O)N(C)[C@@H](C)CC(=O)NC 299798885 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C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2Cc1cc(C(=O)O)ccc1Cl 634697182 BXTYNBFYKKHHDD-FFFUXKDYSA-N 309.793 2.772 0 50 DFAA CN(CCc1nccs1)C(=O)[C@@H]1CCCc2c(O)cccc21 190856250 VJXRSCDJJZROKB-CQSZACIVSA-N 316.426 2.970 0 50 DFAA COC1CCC(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 657388858 PKDSORFVNCZVLK-VLWBHCEFSA-N 321.465 2.683 0 50 DFAA Cn1cc([C@@H]2OCC[C@H]2CNc2ncc(Cl)cc2F)cn1 665748167 JNAKPLFFEXDIGA-TVQRCGJNSA-N 310.760 2.797 0 50 DFAA COC(=O)C1CC(Sc2nnc3sc4ccccc4n23)C1 585079527 NPAUEHCZDRLFNM-UHFFFAOYSA-N 319.411 2.988 0 50 DFAA COCc1cc(CN2C[C@H](N(C)C)CCc3ccccc32)no1 585116686 FPDFOMVUYPFZDQ-MRXNPFEDSA-N 315.417 2.704 0 50 DFAA Cc1cc(NC(=O)CCN2CCCCC2=O)n([C@H](C)C2CC2)n1 1506421585 QXHXUBUQXXPIMR-CYBMUJFWSA-N 318.421 2.504 0 50 DFAA C[C@@H]1c2ccc(Cl)n2CCN1C(=O)CCc1ccc(O)nc1 1616031380 UMQSPOHCNFGAQU-LLVKDONJSA-N 319.792 2.778 0 50 DFAA O=C(NCc1cc[nH]n1)[C@H](Cc1ccc(O)cc1)c1ccccc1 1772711269 SAGCTQWCPPNBGI-GOSISDBHSA-N 321.380 2.758 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1c1ncc(Cl)cc1Cl 1772703051 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317.776 2.573 0 50 DFAA Cc1ccc(CC(=O)NCCc2ccc(C(=O)O)cc2)s1 237669670 ATDPAXZSRBXFNN-UHFFFAOYSA-N 303.383 2.656 0 50 DFAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1cnn(C)c1 72478478 SBMBXUKKVAQHSI-UHFFFAOYSA-N 318.427 2.877 0 50 DFAA Cc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)cc(C)n1 77439085 GVAPGHZKDHOCJE-UHFFFAOYSA-N 313.401 2.871 0 50 DFAA N[C@@H]1CC[C@H](C(=O)NCc2cc(F)ccc2C(F)(F)F)C1 215731222 BZROYZOZGAAWOD-GZMMTYOYSA-N 304.287 2.588 0 50 DFAA O=c1c2cc(F)ccc2ncn1Cc1ccc2nsnc2c1 42936061 NYYXVRPZJLBTKU-UHFFFAOYSA-N 312.329 2.589 0 50 DFAA CCC1(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CCC1 176921505 AQQILKGDOOUYSE-UHFFFAOYSA-N 307.825 2.964 0 50 DFAA CN1CCCC2(CC1)CCN(C(=O)CCc1cccnc1)CC2 222271413 JJWUOKIZIUWJNQ-UHFFFAOYSA-N 315.461 2.739 0 50 DFAA NCc1nnc(SCc2cscn2)n1Cc1ccccc1 426478201 XPJHDHAJVMHIMI-UHFFFAOYSA-N 317.443 2.534 0 50 DFAA Cc1nc2ccc(C(=O)NCc3cnc4cnccn34)cc2s1 426599023 VYDJPNUHSRXWCB-UHFFFAOYSA-N 323.381 2.577 0 50 DFAA COC(=O)N1CC[C@H](NC(C)=O)C[C@H]1Cc1ccc(Cl)cc1 199631949 WNBSMMYLGFGMGS-LSDHHAIUSA-N 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COc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c(C)c1 101454478 NEGQJMBXYFWYQC-AZHAFVHUSA-N 303.358 2.689 0 50 DFAA CCc1cc(C(=O)NCCOCC(F)(F)F)cc(Cl)n1 228119358 OOTUFWFZYGVAKP-UHFFFAOYSA-N 310.703 2.606 0 50 DFAA Cc1ccc(S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 101361680 JQKZJXZSXOYNRW-IBGZPJMESA-N 309.412 2.841 0 50 DFAA COc1cccc2c1ccn2CCC(=O)Nc1nnc(C)s1 61720931 KFDKNJRHAGOLHB-UHFFFAOYSA-N 316.386 2.839 0 50 DFAA O=C(Nc1cnc2n1CCCC2)c1cccc(-n2cccn2)c1 67843208 VJEQQWSLJBDYTE-UHFFFAOYSA-N 307.357 2.657 0 50 DFAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2 252518001 XAEAYBRVWZDALE-UIBIWLFHSA-N 314.429 2.811 0 50 DFAA O=C(c1cccnc1-c1ccc2c(c1)OCCO2)N1CCCC1 67490070 HVUCOIBUTLYCDC-UHFFFAOYSA-N 310.353 2.756 0 50 DFAA C[C@@H](N)[C@H]1CCCCN1C(=O)COCc1ccccc1Cl 121780350 LPHJCDOHABEDJI-IUODEOHRSA-N 310.825 2.585 0 50 DFAA CN(Cc1ncccn1)[C@@H]1CCN(Cc2ccccc2Cl)C1 328633841 MIKQEGAGCQEJGM-OAHLLOKOSA-N 316.836 2.836 0 50 DFAA Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1OCc1ccccc1 32580967 IJJINEPAWXIUHK-UHFFFAOYSA-N 308.337 2.618 0 50 DFAA COc1cccc([C@H](O)CNC2CCC3(CCCO3)CC2)c1 364962906 MAGWABDPNYVAKE-IIIMJFFVSA-N 305.418 2.810 0 50 DFAA C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1 123907196 INDMGZZZALODIY-PBHICJAKSA-N 308.381 2.712 0 50 DFAA c1cnn(-c2ccc(-c3ccc(CN4CCOCC4)cn3)cc2)c1 215542886 WVSXSZRLYWIADL-UHFFFAOYSA-N 320.396 2.767 0 50 DFAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)C1=CCCCO1 377131002 QOXCIMHLKTUMTR-LBPRGKRZSA-N 316.405 2.533 0 50 DFAA Cc1csc(-c2cccc(C(=O)N3CCC[C@H]3C(=O)O)c2)n1 237669333 KVZLMJQOOPVCGV-ZDUSSCGKSA-N 316.382 2.808 0 50 DFAA CCOCC1(CNC(=O)c2ccccc2[C@@H]2CCNC2)CCC1 72159058 MWERVEITDMABDQ-OAHLLOKOSA-N 316.445 2.700 0 50 DFAA CCCNC(=O)c1cccc(C(=O)Nc2ccc3c[nH]nc3c2)c1 131175112 GHKKRRMAKQCGFD-UHFFFAOYSA-N 322.368 2.955 0 50 DFAA O=C(NC1CC1)[C@@H](NC[C@@H]1CCCSC1)c1ccc(F)cc1 287353825 XRHWHLRTTLHQNP-LRDDRELGSA-N 322.449 2.878 0 50 DFAA Cc1cccc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1Cl 179143472 APAAKAYEQSRVFN-LLVKDONJSA-N 308.809 2.778 0 50 DFAA Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c2cccc(Cl)c2n1 426490520 KBPPBJBCXJAXPW-AOOOYVTPSA-N 318.760 2.790 0 50 DFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3ncc(C)[nH]3)C2)cc1 142800330 JCZBSBOZNBSGAU-HNNXBMFYSA-N 313.401 2.958 0 50 DFAA Cc1[nH]nc(CN2CCN(C)[C@H](c3ccccc3)C2)c1Cl 97499500 LGAXCYOZSCJNQM-HNNXBMFYSA-N 304.825 2.860 0 50 DFAA CN(Cc1nccs1)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 95353316 FYSBKRHZNBZMBG-CYBMUJFWSA-N 319.430 2.607 0 50 DFAA CC(C)(C)OC(=O)N1CC(CC(=O)O)(c2cccc(F)c2)C1 382006843 SMWDEKJGLQIVDO-UHFFFAOYSA-N 309.337 2.789 0 50 DFAA Cc1cccc([C@@H](C(=O)N(C)CCC2(O)CCCC2)N(C)C)c1 91848077 NUINPICGECLCCX-KRWDZBQOSA-N 318.461 2.751 0 50 DFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(OC)cc2)C1 91690482 NEWPXOBKAGQYDQ-OAHLLOKOSA-N 313.401 2.931 0 50 DFAA COC(=O)c1[nH]c2c(c1N)C(=O)C[C@H](c1ccc(C)s1)C2 95117814 YAFZHCFMCSPBNF-MRVPVSSYSA-N 304.371 2.666 0 50 DFAA CCc1n[nH]c(C(=O)N2CCC[C@@](CO)(CC=C(C)C)C2)c1C 91625774 TXXVFHYMRXWUOO-GOSISDBHSA-N 319.449 2.852 0 50 DFAA COc1ccc([C@H](C(=O)O)N(C)CC(C)C)c(-n2cccn2)c1 95363700 YLVQJLOAFXRSKA-MRXNPFEDSA-N 317.389 2.594 0 50 DFAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc2cccc(F)c2n1 91644197 WQDQTLVXSPIAAI-NSHDSACASA-N 310.332 2.997 0 50 DFAA O=C(c1ccc(F)cc1)N1CCC[C@](CC2CC2)(C(=O)O)C1 91645765 FZOKUBCPUCYQRZ-QGZVFWFLSA-N 305.349 2.933 0 50 DFAA CC(C)n1ccnc1[C@H]1CCCN(c2cccc(C(=O)O)n2)C1 95353510 GWZRQUIVDUXMCM-ZDUSSCGKSA-N 314.389 2.941 0 50 DFAA CCOc1cccnc1C(=O)N1CC2(CCCC2)OC[C@@H]1C 622969575 MMUXZAAISISZQA-ZDUSSCGKSA-N 304.390 2.654 0 50 DFAA CC1(C)OCC[C@@H]1NC(=O)NCc1csc(-c2ccco2)n1 297943248 WKQDGMKRMVCMTC-LBPRGKRZSA-N 321.402 2.770 0 50 DFAA Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)c(=O)ccn1C 263587539 IARBXBYVSRZWID-UHFFFAOYSA-N 314.385 2.835 0 50 DFAA CCn1c(C)cc(C(=O)N[C@H](c2nccn2C)C(C)C)c1C 534632215 ZZWACXQWEWKEDE-HNNXBMFYSA-N 302.422 2.985 0 50 DFAA O=C(NCCc1nc2c(s1)CCC2)Nc1cncc(F)c1 299755545 FFCHIASLFZRURH-UHFFFAOYSA-N 306.366 2.530 0 50 DFAA O[C@H]1CCCN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 585136884 XNVISOMVTKXSDX-KCQAQPDRSA-N 315.335 2.625 0 50 DFAA O=C(O)[C@H](CNCc1cc2cc(F)ccc2o1)C1CCOCC1 863743234 JGZQCCWDBDOYQJ-OAHLLOKOSA-N 321.348 2.789 0 50 DFAA Fc1ccc(Cn2cc(OCc3cn(C4CC4)nn3)cn2)cc1 1875281026 LSENLSCGLSJBNV-UHFFFAOYSA-N 313.336 2.576 0 50 DFAA Cc1cccc(C(=O)N2C[C@](O)(C(F)(F)F)c3cccnc32)c1 1875286368 RRKLSFDIQRYXQS-OAHLLOKOSA-N 322.286 2.800 0 50 DFAA c1ccc2c(c1)CCC1(CCN(c3ccnc4ncnn34)CC1)C2 1875286683 AUSFLEZGGVEZAP-UHFFFAOYSA-N 319.412 2.900 0 50 DFAA O=C(c1ncco1)N1CC(OCc2cccc3ccccc23)C1 1875383073 FSRYICOHBYNEGD-UHFFFAOYSA-N 308.337 2.869 0 50 DFAA O=C([C@H]1CCc2ccccc2O1)N1CCCC[C@@H]1c1cncnc1 1875312689 PWHWDLPXGFUOEC-SJLPKXTDSA-N 323.396 2.924 0 50 DFAA COC1(OC)CCOC[C@@H]1CCNCc1ccc(C)c(C)c1 952993819 KLFPOXXZQXZYAD-KRWDZBQOSA-N 307.434 2.809 0 50 DFAA Cc1c(NC(=O)C[C@H](C)n2cccn2)cccc1-c1nncn1C 952962788 IIRZHCDMBFCWAT-LBPRGKRZSA-N 324.388 2.577 0 50 DFAA Oc1ccc([C@H]2CN(c3ccc(C(F)(F)F)cn3)CCN2)cc1 1434446057 KGTOOJSQEZZNRU-CQSZACIVSA-N 323.318 2.957 0 50 DFAA Cc1cc(CNc2ccc(CS(C)(=O)=O)c(F)c2)cc(C)n1 1363878889 WLYDOJJAQLPQSB-UHFFFAOYSA-N 322.405 2.994 0 50 DFAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc(Cl)c2)n1 408054678 NZLQQLDWLSQTAW-RNCFNFMXSA-N 321.764 2.634 0 50 DFAA Cc1ccc(-n2nnnc2NC[C@@H](C)c2nc(C)cs2)cc1 273205465 FWMAJQHBNLPQDU-LLVKDONJSA-N 314.418 2.951 0 50 DFAA CC[C@@H]1C[C@@H]1NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 170627010 MDCSCDFTVJCYDX-VNQPRFMTSA-N 302.418 2.664 0 50 DFAA CCc1cc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)n(C)n1 635463918 WARGVMZIDXXFFC-CQSZACIVSA-N 313.401 2.621 0 50 DFAA CC[C@]1(C)CN(C(=O)NCc2ccn(C3CCCC3)n2)CCO1 188218980 QCDOIDWMEGACCM-QGZVFWFLSA-N 320.437 2.709 0 50 DFAA Nc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccn1 193442021 FHWIWCQCSCGSSS-DLBZAZTESA-N 315.392 2.891 0 50 DFAA Cc1oc2ccccc2c1CCNCc1nnn(C(C)(C)C)n1 657437352 RAVMTKXIEHUTKU-UHFFFAOYSA-N 313.405 2.815 0 50 DFAA COc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)c1C 659146824 XBQAAZXFIWBKDH-CYBMUJFWSA-N 319.401 2.967 0 50 DFAA CN(C(=O)c1cc(F)cc(N2CCOCC2)c1)c1ccccc1 585099505 PCBYIRHYDKRGGL-UHFFFAOYSA-N 314.360 2.939 0 50 DFAA C[C@]12C[C@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 1775979915 PLIWLJSLZNPOKH-JOYOIKCWSA-N 321.320 2.616 0 50 DFAA CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccn1 12560777 UEPWMVFDBOKZQU-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA COc1ccc(C[C@@H](C)N2CCC(=O)N(CC3CC3)CC2)cc1 14988853 CISLEMGUIBDSKU-OAHLLOKOSA-N 316.445 2.571 0 50 DFAA COCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1 16652333 CAYKAIURYCVOGK-UHFFFAOYSA-N 312.369 2.624 0 50 DFAA C[C@@H]1C[C@@H](C(=O)O)CN(c2cncc(-c3ccc(F)cc3)n2)C1 1857529247 BFPHEVKBOAFTKM-DGCLKSJQSA-N 315.348 2.830 0 50 DFAA COc1ccc(-c2ccc([C@H]3CNC(=O)C3)cc2)c(C(=O)O)c1 1875247385 URKPKOLWGYJDSJ-CYBMUJFWSA-N 311.337 2.664 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 371974 AVKSDUWCHYEFDI-GHMZBOCLSA-N 309.749 2.954 0 50 DFAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccccc1C(=O)O 4484411 YXOJQGBDLMCBMY-MEBBXXQBSA-N 313.309 2.552 0 50 DFAA CC(C)(C)c1csc([C@@H]2CN(C(=O)[C@H]3CCCO3)CCO2)n1 239672737 BUYYGKOBSLURMR-NEPJUHHUSA-N 324.446 2.520 0 50 DFAA CO[C@H]1CCC[C@@H](CC(=O)NCc2cccc(C(=O)O)c2)C1 668273669 INQOSJFBMNDPDS-DOMZBBRYSA-N 305.374 2.596 0 50 DFAA CN(Cn1nnn(C(C)(C)C)c1=S)c1ccc(F)c(F)c1 164691909 XPSYTKQLCRQQLL-UHFFFAOYSA-N 313.377 2.936 0 50 DFAA COc1c(C)cc(CN(C)C(=O)c2cn(C)nc2Cl)cc1C 822974735 ALGNGWNADZOUCJ-UHFFFAOYSA-N 321.808 2.971 0 50 DFAA CCc1ncc(NC(=O)NCC[C@H]2CCC3(CCC3)O2)cn1 930494498 ZHEWHBCHKJNLCL-CYBMUJFWSA-N 304.394 2.652 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCCC(=O)O 408513104 SIGGKSFLJSCKJF-WBVHZDCISA-N 304.434 2.694 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 81298 FVIXYPNVMLVPNF-RYUDHWBXSA-N 300.358 2.899 0 50 DFAA COc1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1 265941 PAESUGCALJLNHQ-UHFFFAOYSA-N 314.360 2.797 0 50 DFAA O=C(Cc1ccccc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)O 268037 INWFAPOVRXATBG-OAHLLOKOSA-N 317.772 2.695 0 50 DFAA COc1ccc(NC(=O)N[C@H](C)c2cn(C)nc2C)c(OC)c1 609781 VAVYEJLORSXLDC-SNVBAGLBSA-N 318.377 2.628 0 50 DFAA C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3oc2=O)C[C@H](C)O1 1052014 DJWLQHWJOVOEHB-UWVGGRQHSA-N 321.760 2.696 0 50 DFAA COc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1 2479467 URTJOIHFQBCQCQ-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA COc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1OC 2668956 VILBCDILUUOBRC-UHFFFAOYSA-N 311.337 2.742 0 50 DFAA CN1CCN(Nc2nc(-c3ccccc3)nc3ccccc23)CC1 4541742 IXJMKGIWGPRJSF-UHFFFAOYSA-N 319.412 2.871 0 50 DFAA CC(C)(C)[C@H](O)CN1CCN(c2ccnc3ccccc23)CC1 344424044 SSHCYZWXUNHOGS-GOSISDBHSA-N 313.445 2.764 0 50 DFAA CCCCC(=O)Nc1cccc(-c2nn3cnnc3s2)c1 8560858 KCXWGRFGEKFKHA-UHFFFAOYSA-N 301.375 2.982 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 8699247 NUVNFNVJYJQLRA-OLZOCXBDSA-N 309.337 2.861 0 50 DFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCc1cccnc1 55384078 GAZBQOGCZWJQQR-QGZVFWFLSA-N 313.401 2.640 0 50 DFAA CCCn1nccc1NC(=O)CN(C)Cc1ccc(C)cc1 51404974 RKOJMSQISSVCCX-UHFFFAOYSA-N 300.406 2.672 0 50 DFAA CC(C)C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[C@@]1(C)O 67756595 VXEMEAPVLREAQS-KBXCAEBGSA-N 319.401 2.675 0 50 DFAA Cc1ccc(F)cc1CC(=O)NCc1cnc2c(C)cccn12 67842509 XIQBDSMMVXYISU-UHFFFAOYSA-N 311.360 2.949 0 50 DFAA CN1CCc2c1nc1ccccc1c2NC(=O)CNC(C)(C)C 354817 YIYHVGVPBXSAGR-UHFFFAOYSA-N 312.417 2.554 0 50 DFAA biogenic CCOC(=O)c1c(C)n(CCC(=O)OC)c2ccc(OC)cc12 1432724 KXLKSAHVRNSUFW-UHFFFAOYSA-N 319.357 2.698 0 50 DFAA CN(CCOC(=O)COc1ccc(F)cc1)Cc1ccccc1 2815045 MWIOJRYSLZLKDK-UHFFFAOYSA-N 317.360 2.880 0 50 DFAA CN(C(=O)c1cnn2ncccc12)C1C2CC3CC(C2)CC1C3 361339525 OSENCGZNBIYHRT-UHFFFAOYSA-N 310.401 2.626 0 50 DFAA C[C@H]1Oc2c(cccc2C(=O)N[C@@]2(C)CC=CCC2)NC1=O 408470690 WUMHOLMFNJEOAP-DIFFPNOSSA-N 300.358 2.635 0 50 DFAA CCc1cc(N[C@H](C)c2ncnn2CC)n2nc(C)c(C)c2n1 72438411 KNOZXQVJZMHMED-GFCCVEGCSA-N 313.409 2.693 0 50 DFAA Cc1ccc(CN(C(=O)C[S@@](=O)c2ccccc2)C2CC2)o1 173140797 KQDKRCHUUNXCHC-JOCHJYFZSA-N 317.410 2.887 0 50 DFAA OCCOCCN1CCC[C@H](CCc2c(F)cccc2F)C1 72132984 FMNXYPXBKRGIQF-CQSZACIVSA-N 313.388 2.618 0 50 DFAA CC(C)(CN[C@H]1CCCOc2cc3c(cc21)CCCC3)C(N)=O 367821579 OBYAVKVDORQGQW-INIZCTEOSA-N 316.445 2.880 0 50 DFAA Cc1cccc2c(CN3CCN4CCN(C)C[C@@H]4C3)cccc12 215246214 LEJACEFCQCFHPF-GOSISDBHSA-N 309.457 2.580 0 50 DFAA O=C(CN1CCC[C@H](COc2ccccc2Cl)C1)NC1CC1 157051249 JDDYREZJZDQVAP-ZDUSSCGKSA-N 322.836 2.709 0 50 DFAA Cc1nc2ccc(NC(=O)c3cc(C)n([C@@H](C)C4CC4)n3)cn2n1 333065746 AGIYAYRMBVSZGN-NSHDSACASA-N 324.388 2.766 0 50 DFAA O[C@@]1(CN2CCCCC2)CCN(c2nc3ccccc3s2)C1 77376043 INKBGIJZJKIFMY-QGZVFWFLSA-N 317.458 2.723 0 50 DFAA CCc1cc(N2CCC3(CCNC3)CC2)nc(-c2ccncc2)n1 333922596 RNRPEZPENUBNOW-UHFFFAOYSA-N 323.444 2.681 0 50 DFAA Cc1[nH]c2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2c1C 237726301 XJJKXXSEMHBRBD-HNNXBMFYSA-N 300.358 2.864 0 50 DFAA COC(=O)c1cc(CN(C)[C@@H](C)c2cccnc2)ccc1O 71762966 LGLABTZYLVTDCF-LBPRGKRZSA-N 300.358 2.767 0 50 DFAA O=C(CCc1ccc(O)cc1)NCc1n[nH]c2c1CCCCC2 215830231 KVJAXAYWHDGERJ-UHFFFAOYSA-N 313.401 2.633 0 50 DFAA C[C@@H](Cc1ccccn1)N(C)C(=O)Cc1ccc(N(C)C)cc1 220255055 IEHVVHVRUSRZMN-HNNXBMFYSA-N 311.429 2.780 0 50 DFAA Cc1nc(C)c(S(=O)(=O)N2CCc3cccc(C)c32)s1 176453508 UEELPTFBYDTTOF-UHFFFAOYSA-N 308.428 2.820 0 50 DFAA C[C@H]1c2ccccc2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 341013810 DGHBYNNTXDGNCS-LBPRGKRZSA-N 315.394 2.807 0 50 DFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(Cl)c(Cl)c1 288264281 YTGJUVRWPJASRR-MRVPVSSYSA-N 301.173 2.991 0 50 DFAA C[C@H]1CCCCN1C(=O)CN1CCO[C@@H](c2cccc(F)c2)C1 245405537 UBOHDJIZTQDQDW-WMLDXEAASA-N 320.408 2.600 0 50 DFAA Cc1cc(C(=O)N2CCCc3occc3C2)c2c(C)nn(C)c2n1 289335161 YOTUWINZHGUWOE-UHFFFAOYSA-N 324.384 2.767 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 177949021 SUESFYKKAVAHFK-ZYHUDNBSSA-N 315.398 2.755 0 50 DFAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)Cc2cnc[nH]2)c1 616923382 FMATUNDRFDAURS-LLVKDONJSA-N 307.781 2.797 0 50 DFAA CN(CC1(CO)CCCC1)C(=O)CCc1ccc(F)cc1F 223459733 NSJQILBEDVMQRG-UHFFFAOYSA-N 311.372 2.909 0 50 DFAA CCOc1ccc(NC(=O)NCCCc2ncc[nH]2)c(F)c1 97831205 SJILTNITFSLTIG-UHFFFAOYSA-N 306.341 2.702 0 50 DFAA CC(C)(N)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 236631980 GOWQBCIAHMGZJJ-UHFFFAOYSA-N 324.384 2.599 0 50 DFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc(C(F)F)[nH]n1 426496791 FFBURTRDALUGDR-UHFFFAOYSA-N 311.336 2.640 0 50 DFAA CN(C)c1cc(C(=O)NC2(C)CCOCC2)c2ccccc2n1 180187491 WRKYTORIRACDOI-UHFFFAOYSA-N 313.401 2.600 0 50 DFAA CCCn1cc(C(=O)NCc2cc(CC(C)C)on2)c(C)n1 91624692 JKLOITZAHHJQCV-UHFFFAOYSA-N 304.394 2.718 0 50 DFAA C[C@H](CNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)c1ccsc1 230192790 GEZCEXQNDBMROR-IJEWVQPXSA-N 321.490 2.977 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1cc(C2CC2)nc2ccccc12 238079654 VNTNYPBJKVJBCT-MRXNPFEDSA-N 310.353 2.801 0 50 DFAA c1ccc(-c2nc([C@H]3CCCN(Cc4ccon4)C3)n[nH]2)cc1 181287254 UKGVPYSMOKMIDW-AWEZNQCLSA-N 309.373 2.839 0 50 DFAA CC/C=C\CCc1cn([C@@H]2CCCN(c3ncccn3)C2)nn1 95390903 YGIPNGPEXJGSQP-MJSXRHKHSA-N 312.421 2.808 0 50 DFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@H]1CCCCN1C 244741986 OABZZCQVKCQHOH-CQSZACIVSA-N 320.824 2.659 0 50 DFAA Cc1nn(-c2ccccc2)cc1NC(=O)N[C@@H]1CCCC[C@H]1O 183746256 BZYQHTNQXDVLCD-GDBMZVCRSA-N 314.389 2.606 0 50 DFAA CO[C@H]1CCN(C(=O)NCC2(c3ccccc3)CCCC2)C1 267879786 RXWVBGNPDJIFEE-INIZCTEOSA-N 302.418 2.929 0 50 DFAA C[C@H](c1nc(-c2ccco2)nn1CC(C)(C)O)N1CCCCC1 822276797 OQRGRTFKBRUCQB-CYBMUJFWSA-N 318.421 2.856 0 50 DFAA COc1cnc(F)c(CNC[C@@H](c2ccco2)N2CCCC2)c1 585134995 SRNPZBSDKQEGPC-HNNXBMFYSA-N 319.380 2.749 0 50 DFAA Cc1ccc(C)c(CC(=O)NC2(C(N)=O)CCCCCC2)c1 670440513 BOYKXYPEYNNZRN-UHFFFAOYSA-N 302.418 2.540 0 50 DFAA O=C(COc1ccon1)NCCCCc1ccc(Cl)s1 1875274918 UTTPZNQJWNLLID-UHFFFAOYSA-N 314.794 2.907 0 50 DFAA CC(C)c1cccc([C@@H](C)NC(=O)Cn2cc(C(=O)O)cn2)c1 1875277439 LSLZTDHCSIDDQN-GFCCVEGCSA-N 315.373 2.582 0 50 DFAA NC1CC(CCNc2cc(-c3ccccc3)nc3ccnn23)C1 1875308066 RIQCOXXLTOKFPW-UHFFFAOYSA-N 307.401 2.936 0 50 DFAA O=C(CC1CCNCC1)Nc1ccccc1OC[C@@H]1CCCO1 952976386 NRAYZNUBXSNJPC-HNNXBMFYSA-N 318.417 2.573 0 50 DFAA C[C@H](NC(=O)c1nc[nH]c1C(F)(F)F)c1ccc(Cl)cn1 1412845071 LIIBRMQSDVADQB-LURJTMIESA-N 318.686 2.968 0 50 DFAA O=S(=O)(Cc1ccc(Cl)cc1)N[C@@H]1CCCC2(C1)N=N2 1775991709 TXISMWVXCCTKDE-GFCCVEGCSA-N 313.810 2.864 0 50 DFAA CC(C)c1csc(C(=O)N[C@H]2CCOC[C@@H]2OCC2CC2)n1 1565525696 MILJLJIZPDEXPV-JSGCOSHPSA-N 324.446 2.580 0 50 DFAA COCC1CN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 585137963 FCSQHBDOSCBHEC-UHFFFAOYSA-N 302.296 2.902 0 50 DFAA CCC[C@]1(CO)CCCN1C(=O)c1cc2ccccc2nc1O 278139464 NIBYACOUWZXVOB-GOSISDBHSA-N 314.385 2.708 0 50 DFAA CC(=O)N1CCC(CNC(=O)c2cc(C)n(C(C)C)c2C)CC1 170892374 OGHJWQABIUWAFW-UHFFFAOYSA-N 319.449 2.674 0 50 DFAA CCc1ccccc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1 187190453 YZMPECFTYUIHIE-UHFFFAOYSA-N 319.382 2.677 0 50 DFAA C[C@@H](NCC1(c2ccc(F)cc2)CCCCC1)c1nnnn1C 189791276 YDIVZIIIUKUCTG-CYBMUJFWSA-N 317.412 2.902 0 50 DFAA Cn1cc(NC(=O)Nc2ccc(Cl)cc2-n2cccn2)cn1 189943396 XUUGSNIPWDMPLM-UHFFFAOYSA-N 316.752 2.903 0 50 DFAA COC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N2CCCC2)cc1 1074570276 OAKNICRVBCAXRF-RDJZCZTQSA-N 302.418 2.832 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccc3c2CCC3)C1 192912770 CFIJKVKEPIPKIN-CYBMUJFWSA-N 301.386 2.892 0 50 DFAA CCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 667172625 NPVBOTIPNRNPLX-IXDOHACOSA-N 303.402 2.826 0 50 DFAA CCCn1nc(C)c(NC(=O)C[C@H](N)c2ccccc2)c1C 1529178549 NHVRYOAGRXZQGK-HNNXBMFYSA-N 300.406 2.939 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)Cc1cc(Cl)ccc1Cl 237396486 GENBOKAOFKZNCM-BXKDBHETSA-N 301.217 2.874 0 50 DFAA Cc1cc(C(F)(F)F)nc(N2CCC(c3ccnnc3)CC2)n1 1615615668 SOHJVGRYOXGLMA-UHFFFAOYSA-N 323.322 2.978 0 50 DFAA CCC[C@H]1C=CCN1C(=O)c1cc(O)cc(OCCOC)c1 1772704671 DLSHMQIWABBGRI-AWEZNQCLSA-N 305.374 2.598 0 50 DFAA O=C(CCC1CCN(Cc2cccnc2)CC1)N1CCCC1 11938562 QIMFASIIOYEWJA-UHFFFAOYSA-N 301.434 2.696 0 50 DFAA COCC1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 12298721 YALRGVFELUCYLI-UHFFFAOYSA-N 317.389 2.604 0 50 DFAA Cc1c(-c2cc(C(=O)NC3CCCCCC3)on2)cnn1C 13641785 CMCLRIQNVDDINY-UHFFFAOYSA-N 302.378 2.836 0 50 DFAA COc1ccc(C[C@H](C)N2CCC(=O)N(CC3CC3)CC2)cc1 14988855 CISLEMGUIBDSKU-HNNXBMFYSA-N 316.445 2.571 0 50 DFAA Cc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 101128729 AQZPIVMASFAHQG-QGZVFWFLSA-N 308.381 2.777 0 50 DFAA O=C1NCc2ccc(-c3ccc(CN4CCOCC4)cc3)cc2N1 1240477451 IUMFGVUATUDJEG-UHFFFAOYSA-N 323.396 2.821 0 50 DFAA CN(C)Cc1ccnc(NC(=O)N[C@H]2CCCC3(CC3)C2)c1 932169478 RJVDDKVWDGIRLL-AWEZNQCLSA-N 302.422 2.988 0 50 DFAA CCN1CCC[C@H]1CNc1nnc(Cc2ccccc2F)o1 849158317 BFJJPBPIGBTZFE-ZDUSSCGKSA-N 304.369 2.696 0 50 DFAA COCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2049699 ZSSCGVORPAFSMW-SECBINFHSA-N 306.189 2.913 0 50 DFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)OCc1ccncn1 2325780730 KZQKDACFNREXKO-BMFZPTHFSA-N 306.406 2.997 0 50 DFAA CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 123170517 CJOIDUBDFNYFKX-QFBILLFUSA-N 314.429 2.861 0 50 DFAA O=C(C[C@@H]1CCCN1)Nc1ncc(Cc2ccc(F)cc2)s1 150753101 HMCZFWMOZIJMJH-ZDUSSCGKSA-N 319.405 2.954 0 50 DFAA O=C(COc1ccc2ccc(=O)oc2c1)OCc1ccccc1 443386 RMUSVOLMJFDBSD-UHFFFAOYSA-N 310.305 2.915 0 50 DFAA biogenic Cc1ccc2c(c1)N(CC(=O)N(C)C1CCCCC1)C(=O)CO2 1362103 BJNRODOIOFHADB-UHFFFAOYSA-N 316.401 2.512 0 50 DFAA CCOC(=O)N[C@@](C(=O)OCC)(c1ccccc1)C(F)(F)F 2344660 PYIXNTRGQJKZCW-CYBMUJFWSA-N 319.279 2.753 0 50 DFAA CN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl 2890710 DZSXURXKULICAQ-UHFFFAOYSA-N 300.749 2.655 0 50 DFAA Cc1csc(CN2CCC[C@]23CCCN(C2CC2)C3=O)n1 2356167757 AZGAKBOBTPKYMH-MRXNPFEDSA-N 305.447 2.571 0 50 DFAA CCOC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 6699535 LJHVRVDVIOHXCB-VHSXEESVSA-N 323.370 2.530 0 50 DFAA O[C@H](CN1CCCC[C@H]1Cn1cncn1)c1ccccc1Cl 247793204 PPKDNZKIKQPUHJ-XJKSGUPXSA-N 320.824 2.520 0 50 DFAA COc1ccc2[nH]c([S@](=O)Cc3ncc(C)cc3C)nc2c1 22056184 ZMXZYNHJPJEPAE-QFIPXVFZSA-N 315.398 2.891 0 50 DFAA in-vitro CNC(=O)c1ccc(CN[C@@H](C)c2ccncc2Cl)cc1 421818621 BRQBEABMERIDNP-NSHDSACASA-N 303.793 2.945 0 50 DFAA Cc1nc(C(=O)NCc2ccc3c(c2)OCCCO3)cs1 66548772 JDGRPKXTRVQXQX-UHFFFAOYSA-N 304.371 2.543 0 50 DFAA CCc1ncc2c(n1)CN(C(=O)c1cc3cc(OC)ccc3[nH]1)C2 67908797 XXNNZAMZZKDLNX-UHFFFAOYSA-N 322.368 2.685 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)N3CCc4[nH]ncc4C3)c2c1 67954451 MUXKPMSLDXBBPD-UHFFFAOYSA-N 306.369 2.773 0 50 DFAA CCC(=O)N1CCN(C(=O)NC2CCC(CC)(CC)CC2)CC1 252508570 XPELLYNQYMTGAX-UHFFFAOYSA-N 323.481 2.999 0 50 DFAA CC(C)[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccn(C)n1 331930071 DTNPGYHFMHOHEX-AWEZNQCLSA-N 319.430 2.586 0 50 DFAA CSCCC(=O)N1CCC(CO)(Cc2ccccc2)CC1 11997240 DRNOJFIQNGJIBC-UHFFFAOYSA-N 307.459 2.583 0 50 DFAA COC[C@@H]1CCCCN1Cc1cc2ccc(C)cc2[nH]c1=O 67956382 WPIBELKFJHIQCT-INIZCTEOSA-N 300.402 2.837 0 50 DFAA COc1cc(CO)cc(Br)c1OCc1cccnc1 37866286 JOONJVGSQLVVGH-UHFFFAOYSA-N 324.174 2.924 0 50 DFAA CC(C)NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12 2781397 JINQDNNUXMQSKI-UHFFFAOYSA-N 312.295 2.764 0 50 DFAA CC[C@@H](C)Sc1ncc(CN(C)Cc2nnc(C)o2)cn1 215119221 QASPXUHWCYLJOR-SNVBAGLBSA-N 307.423 2.691 0 50 DFAA CCOC(=O)c1nnn(Cc2ccc(Br)cc2)c1C 12336642 CEPAQZSYTYLMDO-UHFFFAOYSA-N 324.178 2.574 0 50 DFAA Cc1c[nH]c(C(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)c1 71759273 WMJDMADFFSCPTA-KRWDZBQOSA-N 303.450 2.906 0 50 DFAA O=C(N[C@H](c1ccccc1)C1CC1)N1CC(F)(F)C[C@@H]1CO 364661404 PEIVLURGBIOQFC-ZIAGYGMSSA-N 310.344 2.549 0 50 DFAA Cc1cn2cc(C(=O)NC[C@H]3OCCc4ccccc43)ccc2n1 218850082 PEQVLGMGTZESBG-QGZVFWFLSA-N 321.380 2.687 0 50 DFAA CN(C)Cc1cccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1 156434943 QUODTTVNSZTJLP-UHFFFAOYSA-N 321.384 2.786 0 50 DFAA Cc1ccccc1OCCCC(=O)N1CCC[C@@H]([C@H](C)N)C1 237463455 JQCADYYDXJRKCN-JKSUJKDBSA-N 304.434 2.740 0 50 DFAA COC(=O)[C@@H](Nc1nccc(-c2ccc(C)nc2C)n1)C1CC1 71754541 YQNJZWAHAZILSX-HNNXBMFYSA-N 312.373 2.519 0 50 DFAA O=C(c1ccc(Cl)cc1O)N1CCC[C@@H](c2ncc[nH]2)C1 77407069 DOJLDOAMRMRATB-SNVBAGLBSA-N 305.765 2.789 0 50 DFAA CC(C)(N)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71759238 INAZBPCRWBEKCU-LBPRGKRZSA-N 317.216 2.631 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)CCCO1 342142173 SFAYAXMGPUYLAG-INIZCTEOSA-N 305.422 2.885 0 50 DFAA CC(C)[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ncnn1C 223065520 IMBSJXZHEKTVQY-GFCCVEGCSA-N 324.331 2.544 0 50 DFAA Cc1ccc2[nH]c(CCCNC(=O)[C@@H](O)CC(C)C)nc2c1C 222424857 XUKJMELGTAWWSM-HNNXBMFYSA-N 317.433 2.636 0 50 DFAA COc1cccc(CCC(=O)N2CCO[C@@H](c3ccco3)C2)c1 176728151 RGWUDQJPJGECKV-QGZVFWFLSA-N 315.369 2.821 0 50 DFAA COc1ccc(-c2cc(C(=O)O)n3ncc(Cl)c3n2)cc1 20606905 DFJBKNHMGVSHBN-UHFFFAOYSA-N 303.705 2.757 0 50 DFAA Cc1cc(C)n(Cc2cccc(C(=O)Nc3cn(C)nc3C)c2)n1 143565497 JAEDATUZZGDIGD-UHFFFAOYSA-N 323.400 2.842 0 50 DFAA CC(C)C[C@H](O)c1nc(-c2ccc(Cl)cc2)nn1CCO 96137470 YNXOXPUMPJHECG-ZDUSSCGKSA-N 309.797 2.670 0 50 DFAA Cc1nn(C)c2nc(N(CCN(C)C)C3CCCC3)sc12 95526187 VGHMIFIUHIYVPI-UHFFFAOYSA-N 307.467 2.649 0 50 DFAA CC(=O)c1cc(C(=O)N2CCC(c3nccn3C)CC2)cs1 96148836 XRADNFPDKBDCDJ-UHFFFAOYSA-N 317.414 2.704 0 50 DFAA Cc1noc(C)c1CN(C)Cc1cnc(N2CCCC2)s1 97773163 USKXJUWIDMASPZ-UHFFFAOYSA-N 306.435 2.980 0 50 DFAA Cc1csc(SCC(=O)N[C@@H](C)Cc2ncccc2C)n1 244718914 LTFRVXCPYKEZAC-NSHDSACASA-N 321.471 2.994 0 50 DFAA O[C@H]1C[C@@H](c2cc(NCc3nc4ccccc4s3)ncn2)C1 243893877 AUXZEEPVMKFBJY-PHIMTYICSA-N 312.398 2.937 0 50 DFAA CC1(C)CC[C@H](CN2CCC(OC[C@H]3CCCCO3)CC2)O1 184661469 XTLCUSWNPXFAPV-IAGOWNOFSA-N 311.466 2.994 0 50 DFAA C[C@H](Nc1ccc(N2CCOCC2)cn1)c1cncc(F)c1 182882585 RSKHZECXYLBWCT-LBPRGKRZSA-N 302.353 2.625 0 50 DFAA Oc1ncccc1CNC[C@@H](O)c1cccc(C(F)(F)F)c1 863584496 DVHCMGQNQWZNCU-CYBMUJFWSA-N 312.291 2.629 0 50 DFAA CSCC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)n1cccc1 263585562 KBRFOUQTKRYBRE-CQSZACIVSA-N 317.414 2.520 0 50 DFAA biogenic O=C(Nc1ccc2cn[nH]c2c1)N1CCC(N2CCCC2)CC1 299783473 VBRUVYVWWBYNEI-UHFFFAOYSA-N 313.405 2.655 0 50 DFAA CN1CCC[C@H](c2nnc3sc(-c4ccc(F)cc4)nn23)C1 823771453 JZQGSXGZOQGRRU-NSHDSACASA-N 317.393 2.801 0 50 DFAA CCc1nc([C@@H](C)Oc2ccc(Cl)cc2C)n(CCO)n1 670454931 WNVYDKBSYFZMFR-LLVKDONJSA-N 309.797 2.935 0 50 DFAA CC(=O)N[C@H](C)CC(=O)N(C)Cc1cc2ccccc2s1 584896041 AIBNJOYNAQOAJB-LLVKDONJSA-N 304.415 2.774 0 50 DFAA CN(Cc1ccc2cc(Cl)ccc2n1)Cc1nncn1C 670444053 POJNQEHUVSGXQY-UHFFFAOYSA-N 301.781 2.649 0 50 DFAA Cc1ccc([C@@H]2CCCN2C(=O)NCc2nonc2C)cc1 873277784 LOMOXLLXVZZVSL-HNNXBMFYSA-N 300.362 2.733 0 50 DFAA CC(C)n1ccc2c(C(=O)NCCN3CCCC3=O)cccc21 888105565 RJDZCYIEGNMPKJ-UHFFFAOYSA-N 313.401 2.574 0 50 DFAA CCc1ccc(OCCCN(C)C(=O)c2nccn2C)cc1 952973605 APEJTTOYBKUNLS-UHFFFAOYSA-N 301.390 2.524 0 50 DFAA C[C@@H](NC(=O)NCCCc1csc(N)n1)c1ccc(F)cc1 952870091 RQMYSZXNBCPKAW-SNVBAGLBSA-N 322.409 2.857 0 50 DFAA COCc1ccc(CNc2cn(-c3cccc(OC)c3)nn2)o1 888096012 PIRFENMGSFHBSI-UHFFFAOYSA-N 314.345 2.627 0 50 DFAA O=C(NCCc1ccnc2ccccc12)N[C@H]1C[C@H]1C(F)F 888102071 XUVVOUCQNBAWMK-OCCSQVGLSA-N 305.328 2.730 0 50 DFAA C[C@@H](CC(=O)N1CCC(OC2CCOCC2)CC1)n1cccc1 169991913 QSOLUXVFYIWQCC-HNNXBMFYSA-N 320.433 2.626 0 50 DFAA COC(=O)CC(C)(C)NCC(=O)Nc1cccc2ccccc12 170036936 UGQJZGISRCJQKG-UHFFFAOYSA-N 314.385 2.710 0 50 DFAA CO[C@@H](CN)CC(=O)N1CCC[C@@H]1c1cccc2ccccc12 278235947 KVXNQSDCMFECPE-CRAIPNDOSA-N 312.413 2.867 0 50 DFAA CO[C@H](C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)c1ccccc1 222181175 PXYIWNIBTYHUIK-JYJNAYRXSA-N 305.418 2.630 0 50 DFAA O=C([C@H]1CCCOC1)N1CCC(OCc2ccccc2)CC1 170789436 SFNSGPRPXRBUCD-INIZCTEOSA-N 303.402 2.621 0 50 DFAA CCN1CC[C@@H](CN(CC)C(=O)Cc2nc3ccccc3o2)C1 1506406580 FBBWKHNZVREYND-CQSZACIVSA-N 315.417 2.561 0 50 DFAA Cc1cccc(Cc2nnc(NC(=O)[C@H]3CCCO3)s2)c1 1529145032 AITGLTGBWPHEBX-GFCCVEGCSA-N 303.387 2.555 0 50 DFAA CC1=CC2(CCN(C(=O)C(C)(C)n3cccc3)CC2)OCC1 1704337629 AKJNZUKOBJQBOX-UHFFFAOYSA-N 302.418 2.951 0 50 DFAA O=C(O)[C@@H]1CN(C[C@@H]2CCOc3ccccc32)CCC1(F)F 1614994573 HCQUTVGTLUMRHR-AAEUAGOBSA-N 311.328 2.595 0 50 DFAA OC[C@]12CCOC[C@H]1CN(Cc1ccc(-c3ccccn3)cc1)C2 1772710483 RVCKNMMIEWTCNF-UYAOXDASSA-N 324.424 2.579 0 50 DFAA O=C(O)c1cc(O)cc(C(=O)N2CC[C@@H]2c2cccs2)c1 1772706638 KDFZRGIUJPIBIL-GFCCVEGCSA-N 303.339 2.739 0 50 DFAA COCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 12138376 ONRMUNBTADTGPD-UHFFFAOYSA-N 312.369 2.624 0 50 DFAA CC(C)(C)CN1CCC(=O)N(CCOc2ccc(F)cc2)CC1 12161073 QIOVLZPSCORMNZ-UHFFFAOYSA-N 322.424 2.785 0 50 DFAA C[C@H]1CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C[C@@H](C)O1 16580478 QGKJMFCOXHOIEM-OLQVQODUSA-N 309.234 2.632 0 50 DFAA CC(=O)Oc1ccccc1N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 18006759 QVCYCKPBQCRXGT-NWDGAFQWSA-N 319.744 2.634 0 50 DFAA O=C(CSc1nc2ncccc2[nH]1)Nc1cccc(F)c1 18183332 NAPROMGLPYRNHW-UHFFFAOYSA-N 302.334 2.828 0 50 DFAA c1ncn(C2CCCCC2)c1CN1CC[C@@H]2NCCC[C@@H]2C1 1857681150 ZVDOYVFHHHSODE-QAPCUYQASA-N 302.466 2.962 0 50 DFAA CN(C)C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(Cl)cc1 252504012 VHVGRZFXXQEOCZ-GJZGRUSLSA-N 310.825 2.628 0 50 DFAA CCn1ncc(Cl)c1C(=O)N[C@H]1CCOc2ccc(F)cc21 621863039 IAGLCOHXTCSYJC-LBPRGKRZSA-N 323.755 2.949 0 50 DFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H]1CCC[C@@H](C2CC2)C1 229936417 ADPZYFYTKLBPAK-ILXRZTDVSA-N 317.437 2.689 0 50 DFAA Cc1nnc(-c2ccccc2-c2nc(-c3cnccn3)no2)o1 125777397 YKLZPGVGHFZKJT-UHFFFAOYSA-N 306.285 2.552 0 50 DFAA C[C@@]1(CNCc2ccnn2-c2ccccn2)CCO[C@@H]1C1CC1 647202783 PUTOBKREHMVXLF-MSOLQXFVSA-N 312.417 2.562 0 50 DFAA C[C@@H](O)c1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 16527139 XEAFACLEGDPVEF-CNOZUTPLSA-N 317.385 2.800 0 50 DFAA CC(C)Cn1cnnc1[C@H]1CCCN1c1ncnc2[nH]ccc12 363241159 CXNQKDMONPZEPX-CYBMUJFWSA-N 311.393 2.547 0 50 DFAA CNc1ccc(C)cc1CN[C@H]1c2ccccc2OC[C@H]1CO 902690597 RNOYJARSWAOGQM-DNVCBOLYSA-N 312.413 2.869 0 50 DFAA CC(C)CN(C(=O)c1c2c(nn1C)CCC2)c1ccc(F)cn1 905982439 BATHKLWSOOIEII-UHFFFAOYSA-N 316.380 2.746 0 50 DFAA Cn1nnc2cc(NC(=O)N[C@@H](c3ccncc3)C3CC3)ccc21 931805069 GTLSPMKBLISQNN-MRXNPFEDSA-N 322.372 2.636 0 50 DFAA CC(=O)N1CCc2cccc(NC(=O)c3cc(C)cc(C)n3)c21 1852108714 VBCLCVDRKYBSBZ-UHFFFAOYSA-N 309.369 2.860 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)CCC2 111357 AHTXTRRMIMPTCO-LJQANCHMSA-N 307.349 2.588 0 50 DFAA O=C(CO)Nc1nc(-c2ccc(Br)cc2)cs1 290529 DQOKSGOAVYSPHV-UHFFFAOYSA-N 313.176 2.503 0 50 DFAA C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 582044 LPQCYJDLYDABMW-LBPRGKRZSA-N 318.398 2.549 0 50 DFAA O=C(Cn1nnc2ccccc21)OCc1ccccc1Cl 1077632 SKFBWRPKTIWFBK-UHFFFAOYSA-N 301.733 2.828 0 50 DFAA CCc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 2361123 HSPVWCOHYXPHKN-UHFFFAOYSA-N 300.333 2.643 0 50 DFAA O=C(Nc1ccccc1C(F)(F)F)C(=O)N1CCCCC1 2846063 AMMYIHLRVZPTSK-UHFFFAOYSA-N 300.280 2.656 0 50 DFAA O=C(CSc1ccccn1)Nc1cccc2nsnc12 6045958 DUTPWSICJUOSGY-UHFFFAOYSA-N 302.384 2.817 0 50 DFAA Cc1cccc2[nH]c(C3CCN(C[C@@H]4[C@H]5CNC[C@H]54)CC3)nc12 102501497 JYQLYFWSOQTODR-ZSHCYNCHSA-N 310.445 2.516 0 50 DFAA C[C@@H]1CN(C(=O)c2cccnc2)C[C@@H](C)N1C(=O)OC(C)(C)C 112842504 XUUMESOJZJSAQM-CHWSQXEVSA-N 319.405 2.552 0 50 DFAA Cc1c(C)n(Cc2ccco2)c2ncnc(N[C@@H](C)C(=O)O)c12 9970656 RACJZSJNLSJJOM-JTQLQIEISA-N 314.345 2.574 0 50 DFAA CC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 53460870 YDTAAOGZBKLEIR-CYBMUJFWSA-N 306.381 2.593 0 50 DFAA FC(F)(F)CCNc1nc(-c2cccnc2)nc2c1CCC2 347372020 YMBZMXDCNPYHPE-UHFFFAOYSA-N 308.307 3.392 0 50 DFAA O=C1Cc2cc(-c3cccc(CN4CCOCC4)c3)ccc2N1 67773971 BVDPUQHITKGWBM-UHFFFAOYSA-N 308.381 2.680 0 50 DFAA O=C(NCC[C@@H]1CCc2ccccc21)N1CCC2(CCN2)CC1 422617662 KIMYRGNBZISNKI-INIZCTEOSA-N 313.445 2.644 0 50 DFAA Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1 120038475 FRQFDVJTRMDKEG-MRXNPFEDSA-N 321.384 2.583 0 50 DFAA Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3ncon3)cc2n1 172449704 JMBCIDQYGPMTEU-LBPRGKRZSA-N 312.329 2.887 0 50 DFAA CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCCC2=CCCC2)C1 122156380 SWYLBXNHQZVPGZ-ZSDSOXJFSA-N 312.479 2.866 0 50 DFAA Cc1cccc2cc(CN(C)CCCc3nccn3C)c(=O)[nH]c12 67842934 FEJYFKWLJAFODP-UHFFFAOYSA-N 324.428 2.635 0 50 DFAA COc1ccc(CC(=O)c2c(O)cc(OC)cc2OC)cc1 58165 ROJOJPXRGHLGTC-UHFFFAOYSA-N 302.326 2.843 0 50 DFAA biogenic Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1nccs1 2793324 LBWWRDQHKUUCPN-SSDOTTSWSA-N 318.324 2.942 0 50 DFAA Cn1c([C@@H]2CCCN2CCN2CCCCC2)nc2c1CCCC2 328626650 FHXPFMWNWJHEFL-SFHVURJKSA-N 316.493 2.922 0 50 DFAA Cn1c(Cn2c(=O)sc3ccccc32)nnc1C1CCC1 329356471 ZKQFKDLRZPCXQE-UHFFFAOYSA-N 300.387 2.507 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)n1 330314221 PBMFWJMLPWLFBX-OAHLLOKOSA-N 318.417 2.900 0 50 DFAA Cc1cc([C@@H]2CCCN2Cc2ccc(-c3nn[nH]n3)cc2)on1 215590743 FAUUUNHTGCQEPZ-AWEZNQCLSA-N 310.361 2.500 0 50 DFAA C[C@H](C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)n1ccnc1 241470656 NWWBSWXJBFRJJI-DAXOMENPSA-N 317.364 2.620 0 50 DFAA CN(C[C@H]1CCCCO1)c1nccc(CCC(F)(F)F)n1 71751954 WIBOFDXQCSASNR-GFCCVEGCSA-N 303.328 2.977 0 50 DFAA Cc1cc(CNC(=O)N2CC[C@H](C3CCOCC3)C2)cc(C)n1 333885980 VWKDWMLBIWTACX-KRWDZBQOSA-N 317.433 2.657 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)n1cccn1 262351106 BKJPDKNSPHEVHG-LLVKDONJSA-N 317.345 2.568 0 50 DFAA NC[C@@H]1CCCN1C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 237962458 ZWRUGKYYTOYJQX-KIUWMYQTSA-N 315.804 2.851 0 50 DFAA CC1CCN(C(=O)c2cnn3c(-c4ccco4)ccnc23)CC1 13644325 UDHIDAMSGGZWNW-UHFFFAOYSA-N 310.357 2.861 0 50 DFAA CCOC(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 73652737 VXGSXTNKDUKZNA-OAHLLOKOSA-N 305.374 2.988 0 50 DFAA CN1C[C@H](Nc2ncc(Cl)cc2Br)CCC1=O 159600800 DVNQDVNTFKFUAH-MRVPVSSYSA-N 318.602 2.530 0 50 DFAA CC(C)[C@@H](CNCc1cn(C(C)(C)C)nn1)c1cccnc1 240900768 ITRSSXYZOZSIRK-MRXNPFEDSA-N 301.438 2.958 0 50 DFAA O=C(NCCc1nc(C2CC2)no1)c1cccc(OC(F)F)c1 221353733 KZQOAZQQCWUOKZ-UHFFFAOYSA-N 323.299 2.521 0 50 DFAA Cn1c(=O)oc2cc(NC(=O)N3CCC4(CCCC4)C3)ccc21 176100797 KFZVTDMQPHALKO-UHFFFAOYSA-N 315.373 2.930 0 50 DFAA Cc1n[nH]c2c1[C@@H](c1ccccc1Br)CC(=O)N2 46016710 OWWMDDMSKFRXHX-SECBINFHSA-N 306.163 2.955 0 50 DFAA O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1 85819470 RRYIZPGVIDFVRT-GFCCVEGCSA-N 300.745 2.857 0 50 DFAA C[C@H]1COc2ccccc2CN1C(=O)CC1CCN(C)CC1 291663445 KZMUHUSKAYKGEU-AWEZNQCLSA-N 302.418 2.528 0 50 DFAA Cn1c(-c2ncc(F)c(N3CCOCC3)n2)cc2ccccc21 97759342 WAHIRILSSWSJSR-UHFFFAOYSA-N 312.348 2.611 0 50 DFAA Cc1cc(C(F)(F)F)cc(=O)n1CCn1cc(Cl)cn1 95388865 PGYGSKBOVFFRAM-UHFFFAOYSA-N 305.687 2.726 0 50 DFAA O=C(COCc1ccccc1)N1CCC[C@@](CO)(CC2CC2)C1 91793528 SEKFZCAXYWOEBD-LJQANCHMSA-N 317.429 2.604 0 50 DFAA COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1 96138764 XFRIYRLSPPLMHK-UHFFFAOYSA-N 323.396 2.793 0 50 DFAA O=C(O)[C@H]1CCC[C@H](C(=O)NCCc2cc3ccccc3o2)C1 180018643 XLNQWMIIGVQYGM-KBPBESRZSA-N 315.369 2.983 0 50 DFAA CCCn1ncc(C(=O)N2CCC(N3CCCCC3)CC2)c1C 91973887 ZWWBBCNOUFCLCL-UHFFFAOYSA-N 318.465 2.692 0 50 DFAA CCC[C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1N(C)C 95521178 GUBQYVZKZFRFLJ-CRAIPNDOSA-N 313.445 2.981 0 50 DFAA Clc1ccc(-c2cn(CC3(Cn4cccn4)CC3)nn2)cn1 91725231 FOSCHPINSJCEPW-UHFFFAOYSA-N 314.780 2.670 0 50 DFAA Cc1nc(N)cc(N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 91526152 SQUDBZXINZGISY-CYBMUJFWSA-N 322.416 2.703 0 50 DFAA Cc1cc2cc(C(=O)NCCS(=O)(=O)CC(C)C)ccc2o1 91820168 KMUZLXHNOSKURH-UHFFFAOYSA-N 323.414 2.542 0 50 DFAA CCc1ccccc1OC1CN(C(=O)c2ccnc(OC)c2)C1 91255668 OBVPGRYNYYYLMF-UHFFFAOYSA-N 312.369 2.556 0 50 DFAA O=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CCOC1 244887847 YPMRIWAVJIAYLB-ZDUSSCGKSA-N 302.399 2.505 0 50 DFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCCc1noc(C2CC2)n1 244674013 HZTFMDAJOHVWMM-MRXNPFEDSA-N 309.369 2.709 0 50 DFAA CC(C)c1ccc([C@@H](N)CNC(=O)c2cccc(CO)c2)cc1 864092324 OYKLHVJQNIITLH-SFHVURJKSA-N 312.413 2.732 0 50 DFAA Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)ccn1C 534578707 VOXQUQYRBFFLBW-GFCCVEGCSA-N 314.385 2.986 0 50 DFAA O=C1C[C@@H](c2ncnn2CCc2ccccc2)CN1C1CCCC1 828248216 RZQDUPBIZAQEPI-MRXNPFEDSA-N 324.428 2.779 0 50 DFAA CCC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1 585134520 XSIHDVMXVSLTSG-ZDUSSCGKSA-N 316.405 2.737 0 50 DFAA COCc1ccc(CN(C=O)Cc2ccnn2CC(C)C)cc1 1875324866 DVMOEVVLJWWSNU-UHFFFAOYSA-N 315.417 2.844 0 50 DFAA CC(C)(C)c1coc(CNC(=O)NC[C@H]2CC23CCOCC3)n1 894321112 DDEZDOAWEDKLBN-GFCCVEGCSA-N 321.421 2.588 0 50 DFAA COc1cccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1F 272022165 NEFDZEAAVFGDOT-RTXFEEFZSA-N 321.348 2.692 0 50 DFAA O=C(c1ccncc1F)N1CCC[C@H]1C[C@H](O)c1ccccc1 304310338 KFVFZPUIUWIRSF-YOEHRIQHSA-N 314.360 2.949 0 50 DFAA C[C@]1(CNC(=O)c2ccc3nc(S)oc3c2)CCCC[C@@H]1O 170651964 RPQMEQLZTDXPNL-XJKSGUPXSA-N 320.414 2.788 0 50 DFAA CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@@H]2C)[C@@H]1Oc1ccccc1 191823709 XWSHRYGKTJMEHH-JWYNJWGYSA-N 305.418 2.626 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@H]2CCN2C2CCCC2)cc1 585121145 HCASHEYNICTVGW-GOSISDBHSA-N 315.461 2.746 0 50 DFAA Cc1cc(N)nc(S[C@H]2CCO[C@H](c3cccnc3)C2)n1 585118536 SLCKQNUICPHQFP-STQMWFEESA-N 302.403 2.775 0 50 DFAA C[C@H](c1nccs1)N(C)CC(=O)Nc1ccc(Cl)cn1 1506422423 QXLRELRCOABWLF-SECBINFHSA-N 310.810 2.823 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)[C@H](c1ccc(C)cc1)N(C)C 1529174473 VNEKRPNRGKSVRC-INIZCTEOSA-N 314.433 2.841 0 50 DFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CC=CC1 1704352553 VUTLCQWBEDKCPV-APWZRJJASA-N 322.408 2.875 0 50 DFAA CC[C@@H](C)[C@@H](NC(=O)C(F)(F)c1nccn1C)C(F)(F)F 1615586575 WCGHIGGCRGAAPG-HTQZYQBOSA-N 313.270 2.605 0 50 DFAA COCc1ccc(CNCc2nn(C)c(C)c2Cl)cc1F 1615537993 FVAFBPUDDOKFMT-UHFFFAOYSA-N 311.788 2.957 0 50 DFAA C=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 164358835 AFADJBULGVQQRV-UHFFFAOYSA-N 302.355 2.612 0 50 DFAA COc1ccc(F)c(CN[C@H]2CC(=O)N(CC(C)(C)C)C2)c1 12303370 GZYQDDPOKRVUFS-ZDUSSCGKSA-N 308.397 2.571 0 50 DFAA C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccon1 12380963 UQQQBFILEQTRTG-MRVPVSSYSA-N 311.135 2.843 0 50 DFAA CCc1ccccc1-n1nc(C)nc1[C@H]1CC[C@@H](OC)[C@H](N)C1 1857713181 ZYOXQHRYBYCCQL-ZMSDIMECSA-N 314.433 2.748 0 50 DFAA COc1c(C(=O)O)cc(-c2ccc(F)c(C)n2)c(OC)c1OC 1875245314 UYWFAAOAACKOKW-UHFFFAOYSA-N 321.304 2.920 0 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XLPLANMNAIQSBF-AWEZNQCLSA-N 316.232 2.603 0 50 DFAA C[C@H](Cc1ccco1)n1nnnc1N1C2CC3CC(C2)CC1C3 2325769732 FFXDBDQINLHLEA-SHIHICALSA-N 313.405 2.837 0 50 DFAA NC(=O)[C@]12C[C@H]1CCCN2C(=O)c1cc(C2CC2)oc1C1CC1 2325781052 GIZAPPFFEFURST-XIKOKIGWSA-N 314.385 2.514 0 50 DFAA Cn1nnc2c(CN3CCC[C@@H]([C@@H]4CC4(F)F)C3)cccc21 2325806070 QSPUCRWEYIEUKK-YPMHNXCESA-N 306.360 2.836 0 50 DFAA COC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2c1CC[C@@H](C)C2 87760 BTPPXHVFAFFOAJ-KOLCDFICSA-N 323.414 2.777 0 50 DFAA Cc1cc(C)n([C@H](C)C(=O)Nc2ccccc2Cl)c(=O)n1 1994255 LBECJRFUEXPPHS-LLVKDONJSA-N 305.765 2.713 0 50 DFAA CCc1ccccc1NC(=O)C(=O)NCc1cccc(OC)c1 2851268 LIZNKHOBHLIGAR-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 2944081 ZCKLQLUTANMSIH-UHFFFAOYSA-N 320.751 2.777 0 50 DFAA O=C(NCCc1ccccc1)C(=O)Nc1ccccc1Cl 4703097 ADEMBJQAVSLXOR-UHFFFAOYSA-N 302.761 2.637 0 50 DFAA CCc1nnc(SCC(=O)Nc2cccc(C)c2)n1CC 6702408 GVXSDAGTOZKJAP-UHFFFAOYSA-N 304.419 2.900 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)c2csc(Br)c2)C1 226265660 VERYGOMCBPDUSG-IUCAKERBSA-N 317.252 2.710 0 50 DFAA CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)C2CC2)cc1 9259758 SQUCNGYMQWVUTM-UHFFFAOYSA-N 319.430 2.894 0 50 DFAA O=C(CSCc1ccccc1Cl)NCCn1cccn1 55393442 VAEXARHVVCDULB-UHFFFAOYSA-N 309.822 2.586 0 50 DFAA COCCn1ccnc1CN(C)CCOc1cc(C)cc(C)c1 55403690 KVNQRUWQYUCWIH-UHFFFAOYSA-N 317.433 2.657 0 50 DFAA COc1ccc(C[C@@H]2COc3cc(O)c(C)c(O)c3C2=O)cc1 13327571 OOHKTNVQRTUZRS-GFCCVEGCSA-N 314.337 2.849 0 50 DFAA biogenic CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 249764171 YEPIIIYXNUHLGP-QEJZJMRPSA-N 315.417 2.994 0 50 DFAA CN(Cc1ccno1)Cc1cc2cc3c(cc2[nH]c1=O)CCC3 67446700 DNVHPDXJSRXJIW-UHFFFAOYSA-N 309.369 2.637 0 50 DFAA CC[C@H](C)NC(=O)c1cc(CN(C)CCc2ccccc2)on1 67741664 HPPCCXATWFUGKU-AWEZNQCLSA-N 315.417 2.877 0 50 DFAA CCOC(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)nn1C 2785393 WQVBAZMSSBFTQS-UHFFFAOYSA-N 321.764 2.811 0 50 DFAA Cc1nc(CCCNC(=O)[C@H](O)c2ccc(F)cc2)sc1C 218977735 LUUNEQJQMDQKPJ-OAHLLOKOSA-N 322.405 2.681 0 50 DFAA COC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 5879600 UAGHFCKWEMUQTN-UHFFFAOYSA-N 315.350 2.665 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2cccc(O)c2)C1 6738280 HVBPZCZFRYMTSZ-INIZCTEOSA-N 312.325 2.533 0 50 DFAA O=C(C[C@@H]1COCCN1C(=O)C1[C@H]2CCC[C@H]12)c1ccccc1 153471228 RAPVOFSNQVHPDZ-PMPSAXMXSA-N 313.397 2.533 0 50 DFAA COCC1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CCC1 283840377 GFWAOFINYKEDQG-OAHLLOKOSA-N 307.365 2.542 0 50 DFAA CC(C)c1cc(N[C@H](c2ncnn2C)C(C)C)n2nccc2n1 72145255 QYZLILQFEWZWEG-HNNXBMFYSA-N 313.409 2.790 0 50 DFAA CSCC[C@@H](CO)n1ccnc1-c1cc2c(cc1C)OCO2 71747815 ALLWQXBFBPVAKT-LBPRGKRZSA-N 320.414 2.874 0 50 DFAA Cc1ccc(CN2CCC([C@H](C)N3CCN(C)CC3)CC2)s1 77408352 ATVWRXCUEAIRGK-INIZCTEOSA-N 321.534 2.904 0 50 DFAA O=C(O)CCCCCNC(=O)c1cc(-c2ccccc2)on1 238161139 YUVWNYYSIRXXLS-UHFFFAOYSA-N 302.330 2.716 0 50 DFAA COc1ccc2nc(CNC(=O)c3cc(C(C)C)on3)[nH]c2c1 72476175 JNBVIULTEGJJLM-UHFFFAOYSA-N 314.345 2.613 0 50 DFAA Cn1ncc(Cl)c1CNC[C@@H]1CCN(c2ccccc2)C1 130469353 OJLQCKAOXMCLMD-ZDUSSCGKSA-N 304.825 2.690 0 50 DFAA Cc1noc(C)c1CN1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 239653786 BLJJYHDDHBGNOR-HKUYNNGSSA-N 311.429 2.998 0 50 DFAA CCSCCCNC(=O)Nc1ccc([S@](C)=O)cc1 337615786 LHYHNPCZQQSQDW-IBGZPJMESA-N 300.449 2.689 0 50 DFAA Cn1cncc1CN1C[C@H](CCN2CCCC2=O)c2ccccc21 177428960 IOARHUGNESYYCK-HNNXBMFYSA-N 324.428 2.536 0 50 DFAA CC[C@@H](Cn1ccnc1)n1cnc2c(Cl)cccc2c1=O 43139822 CIMALDLZIFMQRJ-NSHDSACASA-N 302.765 2.898 0 50 DFAA C/C=C/CC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 95525845 GJTIXJYWGUWFJG-YATRRXNKSA-N 324.428 2.999 0 50 DFAA Cc1nc(-c2ccccc2)c(C(=O)NCC(=O)C2CC2)s1 180796780 JWRNFIPYIGPWAJ-UHFFFAOYSA-N 300.383 2.827 0 50 DFAA CN(c1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)C1CC1 181312680 PFGFFFYEAWJGPY-UHFFFAOYSA-N 301.371 2.740 0 50 DFAA CC(C)=CCN1CC2(CCN(C[C@@H]3CCCCO3)CC2)CC1=O 95516681 YMEVKAJXXOHICS-KRWDZBQOSA-N 320.477 2.836 0 50 DFAA CCOCc1ccccc1CNC(=O)N1CCC(C)(CO)CC1 184517519 NCMZZIRQIIKTAJ-UHFFFAOYSA-N 320.433 2.527 0 50 DFAA CC(C)c1cc(C(=O)NCCc2nc3c(s2)CCC3)no1 257372248 MMBOENDTMURDSJ-UHFFFAOYSA-N 305.403 2.716 0 50 DFAA CC(=O)c1ccc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)cc1 299798821 OTYDCPCOOFQTIA-HNNXBMFYSA-N 314.429 2.884 0 50 DFAA COc1cccc(Oc2ccc(NC(=O)c3ccnnc3)cn2)c1 824788027 XLTLBCBBNNXJFD-UHFFFAOYSA-N 322.324 2.925 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1C 141614641 PQWNVEQDKPEKJZ-DZGCQCFKSA-N 305.374 2.987 0 50 DFAA O=C(C[C@H]1CCCOC1)N1CCCN(C2CCCCC2)CC1 584890642 GQFCKOYSGOAUOO-MRXNPFEDSA-N 308.466 2.670 0 50 DFAA Cc1ccc([C@]23C[C@H]2CN(C(=O)NCc2cccnc2)C3)cc1 1875291145 PDIXZCOQYFCEAR-PKOBYXMFSA-N 307.397 2.873 0 50 DFAA Oc1ncnc2cnc(NC[C@@]34CCCC[C@@H]3C4(F)F)cc12 1875295089 QMUDHRDZEGLZJZ-FZMZJTMJSA-N 306.316 2.968 0 50 DFAA O=C(c1ccc(OC2CCC2)cc1)N1CC[C@@](CF)(C(=O)O)C1 1875291609 FXVRTRGDBQOHHT-KRWDZBQOSA-N 321.348 2.504 0 50 DFAA O=C(c1ncoc1C(F)(F)F)N1CCOC2(CCCCC2)C1 408517124 OVDPFGSGZZBRRF-UHFFFAOYSA-N 318.295 2.869 0 50 DFAA O=c1[nH]c(CCc2ccc3c(c2)CCO3)nc2cc(F)ccc12 187026713 RWVQLJCXQOMNSX-UHFFFAOYSA-N 310.328 2.782 0 50 DFAA COc1ccc(-c2nnc(NCc3ccn(C)c3)o2)cc1OC 170594990 HOLSDBJUPSFWFH-UHFFFAOYSA-N 314.345 2.704 0 50 DFAA COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCOC1 280431005 BFJVSWPKAIVMAQ-SSDOTTSWSA-N 318.156 2.755 0 50 DFAA CCS[C@H]1CCCCN(C(=O)c2cc(C)nc(NC)n2)C1 280860711 XCPXISPXHPCOCE-LBPRGKRZSA-N 308.451 2.575 0 50 DFAA CCc1ccc([C@H]2CCN(C(=O)CCc3nnc(C)o3)C2)cc1 635958545 YGFVOUGPNXFHBY-INIZCTEOSA-N 313.401 2.889 0 50 DFAA Cc1cncc(CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)c1 642250789 WXERBPRMOMHBLI-DPIQGUFMSA-N 301.390 2.637 0 50 DFAA CN(C)CC1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)CC1 668678894 UCAMYJQMRFRINQ-KRWDZBQOSA-N 304.409 2.656 0 50 DFAA COc1cc(CNC(=O)C[C@@H](C)Cc2cccc(F)c2)on1 585128339 YTRCDOUNDLENDR-NSHDSACASA-N 306.337 2.707 0 50 DFAA COc1ccc(C(=O)Nc2nccc3c2cnc2ccnn23)cc1 1848443215 ZFMLVUXIYZHVHD-UHFFFAOYSA-N 319.324 2.538 0 50 DFAA CN(CCC1CCOCC1)Cc1nc(-c2ccccc2)no1 12611932 HPOISIWTCMNLKC-UHFFFAOYSA-N 301.390 2.985 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)Nc3ncc(C)s3)CC2=O)cc1 16579398 KRLXRPZUPRGUCT-GFCCVEGCSA-N 315.398 2.752 0 50 DFAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 16602543 CPZPSYHRMWRDJE-LBPRGKRZSA-N 310.825 2.626 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 16661447 BYBBIVNCXNXHCQ-LLVKDONJSA-N 321.373 2.974 0 50 DFAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[C@@H]1C1(O)CC1 1857681695 CFGZCQBAZFIHKT-CQSZACIVSA-N 304.777 2.951 0 50 DFAA CCCS(=O)(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875248191 BYYYHYJOHOKJLU-CVEARBPZSA-N 311.447 2.824 0 50 DFAA Cn1nccc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 225766140 UJRJNZYBIIOFGW-NSHDSACASA-N 301.312 2.615 0 50 DFAA Cc1cnc(OC2CCN(Cc3ccc(F)cc3)CC2)nc1 653801072 XRKINIOPJYLYEG-UHFFFAOYSA-N 301.365 2.968 0 50 DFAA CCOC1CC(N[C@H](c2nccn2CC)C2CCOCC2)C1 344512314 INUAFCAOWJHRNM-GPANFISMSA-N 307.438 2.528 0 50 DFAA O=C(C[C@H]1CNCCO1)NC1(c2cccc(Cl)c2)CCCC1 252499097 RVLQQPGSURIQOP-HNNXBMFYSA-N 322.836 2.604 0 50 DFAA CC[C@@H]1C(=O)NCCN1Cc1ncc(-c2cccc(Cl)c2)o1 151086937 SWGVLMMARNBWEO-CYBMUJFWSA-N 319.792 2.705 0 50 DFAA Cc1nc(C2(NC(=O)c3cc4ncccc4o3)CCCC2)no1 1262272087 MKSMGHRTXJETPF-UHFFFAOYSA-N 312.329 2.719 0 50 DFAA CC(=O)N1CC[C@@H]2CN(Cc3cc(C)ccc3C)C[C@@H]2CC1 946418263 AUCQMMXEQHCYLX-HDICACEKSA-N 300.446 2.994 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 68854 HUNBERVSMWFRIQ-MEBBXXQBSA-N 318.373 2.665 0 50 DFAA O=C(c1ccccc1Br)n1nnc2ccccc21 255440 OOEZSKVBQUKOOH-UHFFFAOYSA-N 302.131 2.882 0 50 DFAA O=S(=O)(NCc1ccc(-c2ccncc2)cc1)C1(Cl)CC1 2325775858 FTADZKQNLIQUEH-UHFFFAOYSA-N 322.817 2.897 0 50 DFAA CCc1nc(C)cc(=NCc2ccc(-c3cnn(C)c3)cc2)[nH]1 2325780897 WYXFHZTUSNBZAA-UHFFFAOYSA-N 307.401 2.782 0 50 DFAA Cc1ccn2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 70916 CSPUSZHJZBVEAX-UHFFFAOYSA-N 315.398 2.560 0 50 DFAA CCN(Cc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 314963 DEARLMHFKTYRSY-UHFFFAOYSA-N 310.806 2.946 0 50 DFAA CC(C)(C)C(=O)Nc1ccncc1I 334503 GPMKCDBJLNTANL-UHFFFAOYSA-N 304.131 2.671 0 50 DFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCn1ccnc1 2767945 NTQRYGYKYCPCDN-GFCCVEGCSA-N 307.781 2.510 0 50 DFAA Cc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1 6700489 WTHSJFPIHMSRIY-UHFFFAOYSA-N 306.413 2.965 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC(c3ccccc3F)=NO2)cc1 6738437 MZWXFWIIILPEFB-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA CCCn1c(C)nnc1SCC(=O)Nc1ccc(OC)cc1 6741299 IOTNEXYZVXYAEU-UHFFFAOYSA-N 320.418 2.736 0 50 DFAA C[C@H]1C[C@@H]1C(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 225662443 VDJYKSIDUDOJCO-XVKPBYJWSA-N 309.728 2.801 0 50 DFAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]21 101360456 ASIICBLSIDAYNC-UDVXPWBQSA-N 323.348 2.673 0 50 DFAA CN(CCc1ccccn1)[C@H]1CCCN(c2ccccc2)C1=O 115570621 CINDNPZBGIZTGH-SFHVURJKSA-N 309.413 2.752 0 50 DFAA Nc1nccc(N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)n1 65396752 WEUKTTDCRHKSCN-GOSISDBHSA-N 308.385 2.894 0 50 DFAA Cn1cc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 67804771 QOOIRZJLOVKPEV-VQTJNVASSA-N 321.424 2.924 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](C(=O)O)C1 136133431 MKKBWTGXMCNQFH-STQMWFEESA-N 305.374 2.512 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1cscn1 249685612 FYKNWOVWCMPOIU-HUUCEWRRSA-N 307.463 2.551 0 50 DFAA CNC(=O)[C@H](C)N(C)Cc1cnc(-c2ccccc2C)s1 67758421 DFGZWKFTFWDTIC-LBPRGKRZSA-N 303.431 2.685 0 50 DFAA Cc1n[nH]c(-c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)n1 20535349 XBCKOIGMZRANTE-UHFFFAOYSA-N 318.340 2.909 0 50 DFAA C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nncn1C 20206980 HVAMBLRZDVWMBC-SNVBAGLBSA-N 304.419 2.637 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)NCCCN2CCCCCC2)c1 26818068 ICYSIXSGXZYBAS-UHFFFAOYSA-N 324.490 2.848 0 50 DFAA CN1C[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)OC1=O 72132970 RLGSVCFMXLOCBG-GOSISDBHSA-N 316.401 2.651 0 50 DFAA C[C@@H](OCc1ccccc1)C(=O)N(C)CCCN1CCCC1 253418368 OPHDFBNAAKGGFT-MRXNPFEDSA-N 304.434 2.536 0 50 DFAA C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(O)cc1 1423397 MXARDEDVUFBRAR-LLVKDONJSA-N 309.321 2.990 0 50 DFAA COc1ccc(C2=NO[C@H](C(=O)N3CCCC[C@@H]3C)C2)cc1 5029110 DLXDGXBQNRIGHE-LRDDRELGSA-N 302.374 2.589 0 50 DFAA c1cc(CN2CCCC[C@@H]2CCn2ccnc2)c2nonc2c1 216069916 GZIXWGVYJKTUAM-OAHLLOKOSA-N 311.389 2.864 0 50 DFAA CCCn1c(NC(=O)c2cccc(C(N)=O)c2)nc2ccccc21 30625264 UOZVVPXKJGOFIG-UHFFFAOYSA-N 322.368 2.798 0 50 DFAA in-vitro O=C1CCCN1C[C@@H]1CCCCN1C(=O)c1ccoc1C1CC1 375643173 JMGBVSWMCCNKAM-AWEZNQCLSA-N 316.401 2.774 0 50 DFAA C[C@H]1CN(C(=O)Cc2noc3ccc(F)cc23)C[C@H](C2CC2)O1 333378551 VYLBCQUUSAPHNE-MGPLVRAMSA-N 318.348 2.535 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc(F)c(F)c1 237972924 XAWQPPOWTDPCFR-CQDKDKBSSA-N 323.339 2.752 0 50 DFAA Cc1nnc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)s1 78674819 CVWGIBXEOIHISK-HNNXBMFYSA-N 302.447 2.805 0 50 DFAA CCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72165649 ZADJROWLCWNBNB-KBAYOESNSA-N 320.383 2.763 0 50 DFAA CC(C)n1nccc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 337187517 QEPUPGICOOYGCE-IAGOWNOFSA-N 303.381 2.911 0 50 DFAA Cc1ccc(OCCCN(C)C(=O)NCc2ncc[nH]2)c(C)c1 426719939 OFABUPZQWGHUOZ-UHFFFAOYSA-N 316.405 2.637 0 50 DFAA CCN(Cc1ccncc1)C(=O)N[C@@H](C)Cc1cccc(C)n1 426475610 ZHERXBWGYROMHT-HNNXBMFYSA-N 312.417 2.948 0 50 DFAA CN(C)c1nc(-c2cccc(CO)c2)nn1Cc1ccccc1 426362071 QJTSHZPNHQJGFV-UHFFFAOYSA-N 308.385 2.552 0 50 DFAA CCn1nc(CN2C[C@]3(CCOC3)CCC2=O)c2ccccc21 92078801 ZVCYOMHYQIUVRC-GOSISDBHSA-N 313.401 2.585 0 50 DFAA COC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 95371530 QFUSXESKLMLKOP-ARFHVFGLSA-N 322.355 2.593 0 50 DFAA Cc1cccnc1C[C@H](C)N(C)C(=O)NCCCC(C)(C)CO 426380484 OJRUTHUWSVFMQT-HNNXBMFYSA-N 321.465 2.761 0 50 DFAA CN(Cc1ccc2nonc2c1)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2 426623127 XBEXZICBWBWNKQ-SCDSUCTJSA-N 300.362 2.553 0 50 DFAA CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC(=O)N1 293977213 GFCXTSWTBKYJPN-YOEHRIQHSA-N 322.836 2.692 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)N1CC2(CCOC2)C1 294322778 IUNLVLPVKIKNAY-CQSZACIVSA-N 303.402 2.828 0 50 DFAA CC[C@H](CO)N(Cc1ccco1)C(=O)Nc1ccc(C)nc1 96139512 QJGRNMFSCOWKTM-CQSZACIVSA-N 303.362 2.788 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3nnc(-c4ccco4)o3)C2)n1 244718920 LTKFSCJTFXNLBI-CYBMUJFWSA-N 313.361 2.590 0 50 DFAA Nc1nc(NCCc2ccc(Cl)cc2)cc([C@H]2C[C@@H](N)C2)n1 244718869 LSNUGCYFCMPMQG-BJHJDKERSA-N 317.824 2.572 0 50 DFAA C[C@H](NC(=O)c1ccc(=O)oc1)[C@H]1[C@H]2CC[C@H]3C[C@@H](C2)C[C@H]31 245310656 JKUIUOHKHIBIIS-INOASTRESA-N 301.386 2.830 0 50 DFAA Nc1cc(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccn1 298563937 PSHYJGPFPDUQSV-KZNAEPCWSA-N 309.413 2.668 0 50 DFAA CCNc1nc(C)c(C(=O)NCc2cc(C(C)C)on2)s1 534582567 MMNIYFOLDWJDQJ-UHFFFAOYSA-N 308.407 2.925 0 50 DFAA CC(C)(C)c1cc(CNC(=O)[C@H](O)c2cccc(Cl)c2)[nH]n1 299795504 LJEUXPKQERMRAY-CQSZACIVSA-N 321.808 2.710 0 50 DFAA O=S(=O)(N1CCCC1)N1CCC(CCc2ccccc2)CC1 298134485 MOMJFZJPTFRAIM-UHFFFAOYSA-N 322.474 2.672 0 50 DFAA CC[C@H]1C=CCN1C(=O)Nc1ccc(CN2CCOCC2)cc1 299790301 BBFWEWDLQDVHLB-KRWDZBQOSA-N 315.417 2.701 0 50 DFAA CCc1csc(CCNC(=O)c2[nH]nc3c2C[C@H](C)CC3)n1 299789964 AQUCFBCYNGHIEX-SNVBAGLBSA-N 318.446 2.526 0 50 DFAA CC(C)(C)C[C@@H](c1cccnc1)n1cnc2nccnc2c1=O 584901240 QHMPEKRTLQOFAU-ZDUSSCGKSA-N 309.373 2.607 0 50 DFAA COc1cccc2ncn(CCCC[C@H]3CCCO3)c(=O)c12 584887555 IRDPEGBYBVWVFU-ZDUSSCGKSA-N 302.374 2.754 0 50 DFAA Cc1noc(C)c1[C@@H](C)NCCCNC(=O)c1cccs1 863983414 HAGITLWVDLBGFF-SNVBAGLBSA-N 307.419 2.824 0 50 DFAA Cc1ccc(Cn2cc(-c3ccc(F)nc3)nn2)nc1Cl 1875316731 DDKSTIREUUUPSC-UHFFFAOYSA-N 303.728 2.884 0 50 DFAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1(c2ncon2)CC1 952995562 QBXLIYQURLCWTJ-MCIONIFRSA-N 321.421 2.652 0 50 DFAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1cncnc1 952963731 JZUJJLJESYSYPK-UHFFFAOYSA-N 311.364 2.708 0 50 DFAA O=C(CC1(O)CCCCC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 408060366 JCAWFNCIHYCJGN-JKSUJKDBSA-N 321.392 2.545 0 50 DFAA CC(C)(F)c1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)no1 273919299 HYCVBDIVDZRNHO-GFCCVEGCSA-N 303.337 2.790 0 50 DFAA CC(C)[C@@H](CO)C(=O)NCc1cc(Cl)ccc1OC(F)F 170600709 IDHTUJWZLMNVTG-LLVKDONJSA-N 321.751 2.822 0 50 DFAA C[C@H](C(=O)Nc1ncccn1)N(C)CCc1ccc(Cl)cc1 172079881 BHWXPORADGEIFY-GFCCVEGCSA-N 318.808 2.632 0 50 DFAA COC(C)(C)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 188630595 MUIVDTIRAZOYBF-UHFFFAOYSA-N 316.323 2.928 0 50 DFAA CC(C)C[C@@H]1C(=O)NCCN1Cc1cc(F)cc2cccnc12 189799403 WOIXZSFFUMHLIY-MRXNPFEDSA-N 315.392 2.720 0 50 DFAA Cc1ccc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)nc1 767710064 XRUZDUWRUMXVJS-LLVKDONJSA-N 309.325 2.695 0 50 DFAA CCn1cnc2c(Nc3ccn(-c4ccccc4)n3)ncnc21 727830043 YTFROVHJZFXIRN-UHFFFAOYSA-N 305.345 2.776 0 50 DFAA CC[C@H](NC(=O)[C@H]1CCN(C)c2ccccc21)[C@H](O)C(C)C 585087195 IURBNRSKNADZGG-YQQAZPJKSA-N 304.434 2.522 0 50 DFAA CCn1nccc1C(=O)N1CCN(C2CC2)c2c(C)cccc21 681481521 RJJZTKVXXCCXQF-UHFFFAOYSA-N 310.401 2.841 0 50 DFAA COc1cc(C(=O)N2CCOc3ccc(Cl)cc3C2)ccn1 1506404991 BFYXGAFFNYKDMI-UHFFFAOYSA-N 318.760 2.778 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(F)ccc1Br 124680774 UOJDGXITUAMISD-SCZZXKLOSA-N 315.186 2.540 0 50 DFAA CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 1152527 GHPAQUQQSTWMTO-VMPITWQZSA-N 305.349 2.641 0 50 DFAA CC[C@@H](C)OCc1nc(-c2cc(Br)nn2C)no1 1616041481 USYZACTXAVCIKN-SSDOTTSWSA-N 315.171 2.548 0 50 DFAA CCOC(=O)c1nc2c(s1)N(Cc1conc1C)CCCC2 1615605413 OLOCWVXLBHMEHP-UHFFFAOYSA-N 321.402 2.959 0 50 DFAA COc1cc(CN2CCC(Cc3ccc(O)nc3)CC2)ccn1 1772807438 WMCNUGGYDMTCMH-UHFFFAOYSA-N 313.401 2.646 0 50 DFAA c1ccc2oc(-c3n[nH]cc3CNCCn3cccn3)cc2c1 12445173 KYDASTGPSDOZKX-UHFFFAOYSA-N 307.357 2.809 0 50 DFAA C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@@]13C 12496358 OLPSAOWBSPXZEA-GCNMQWDSSA-N 304.430 2.850 0 50 DFAA endogenous,in-man CCc1ccc(C(=O)N2CCN(c3ccccn3)CC2)s1 13744864 SNIGIGWBRRRJAQ-UHFFFAOYSA-N 301.415 2.668 0 50 DFAA CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCC2(CC1)OCCO2 16605112 XPGRBOVRZYSPAZ-INIZCTEOSA-N 319.401 2.518 0 50 DFAA Cc1ccc(NCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl 17975917 SIJFZMFQCJLPGH-CHWSQXEVSA-N 304.777 2.969 0 50 DFAA O=C(N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl 19792292 CENJRJRVFKKSLV-UHFFFAOYSA-N 321.635 2.701 0 50 DFAA O=S(=O)(O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 169302073 LNKIIGLRHXUSHP-UHFFFAOYSA-N 322.773 2.985 0 50 DFAA CCC(CC)(CNC(=O)[C@@H]1C[C@H]2C[C@@H](N)[C@H]2C1)C(F)(F)F 1857527247 UMRLNPRMJCLOIX-WHOHXGKFSA-N 306.372 2.845 0 50 DFAA c1ccc(-c2noc(N3CCC(C4CCNCC4)CC3)n2)cc1 1857674443 IOAUMQZAXCEGMS-UHFFFAOYSA-N 312.417 2.953 0 50 DFAA CCCCNS(=O)(=O)c1cc(Br)ccc1OC 8131950 ZJAXDELRBUTLDO-UHFFFAOYSA-N 322.224 2.536 0 50 DFAA in-vitro c1ccc2c(c1)OC[C@@H](c1noc(C[C@@H]3C[C@H]4CC[C@H]3O4)n1)O2 333846460 OKSUNOYAFJLHKG-YFCNSXCBSA-N 314.341 2.692 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 262438401 NNJOZDICIUEUAX-CJNGLKHVSA-N 301.386 2.505 0 50 DFAA C[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1cccc(C#N)c1 390833728 MANBKYRUYDSJJB-GUYCJALGSA-N 301.390 2.566 0 50 DFAA CO[C@@](C)(CO)CNC(=O)c1c(C)ccc2cc(C)ccc12 824248227 GZDHOSQQJKICEH-GOSISDBHSA-N 301.386 2.584 0 50 DFAA Brc1cncc(N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)c1 252678890 HFEMSOIGAFUIBI-GLQYFDAESA-N 322.250 2.765 0 50 DFAA Cc1c([C@@H](C)NC(=O)N=c2cc(F)n(C)[nH]2)oc2ccccc12 2325797702 NCHKENTXUOGZQM-SNVBAGLBSA-N 316.336 2.918 0 50 DFAA CC[C@H](NC(=O)c1cnc(O)c2ccsc12)c1ncc(C)[nH]1 2325804375 JGVAOYZNUWGWBK-NSHDSACASA-N 316.386 2.915 0 50 DFAA CO[C@H]1CC[C@H]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 2325804384 JQVPTNUMSWJFNO-RDJZCZTQSA-N 317.429 2.620 0 50 DFAA Cc1cn2cc(-c3ccc4c(c3)C(=O)NCCO4)cc(C)c2n1 2325867162 NAEBQUXXSYBQAH-UHFFFAOYSA-N 307.353 2.740 0 50 DFAA O=C(NCc1ccccc1)c1cccn(Cc2ccccc2)c1=O 58344 YFFVFKUJIXEYQZ-UHFFFAOYSA-N 318.376 2.827 0 50 DFAA CCOC(=O)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1 154876 YLBYXSACIQIGHX-UHFFFAOYSA-N 312.316 2.772 0 50 DFAA O=C(Nc1ccccn1)c1cccc(I)c1 1206201 LMSHUIIRNATAGW-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA COCCCNCCOCCOc1cccc2ccccc12 2980642 ASYCQHLUVAXARK-UHFFFAOYSA-N 303.402 2.861 0 50 DFAA COc1ccnc(CS(=O)(=O)Cc2cccc(C)c2)c1OC 225665743 XIGPSEOOOQKWBG-UHFFFAOYSA-N 321.398 2.522 0 50 DFAA CCCc1c(C(=O)OCC)cnc2nc(-c3ccccc3)nn12 9134380 BXTVVPZMFVUVLC-UHFFFAOYSA-N 310.357 2.921 0 50 DFAA CCCN1CCN(CC(=O)Nc2cccc3ccccc23)CC1 20595179 UMGNTLMRLLGVFY-UHFFFAOYSA-N 311.429 2.806 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N(CC2(C)Cc3ccccc3C2)C1=O 348730429 OMJDLWSJSZOXEC-WFASDCNBSA-N 300.402 2.758 0 50 DFAA Cc1ccc(F)c(NC(=O)CN[C@@H](c2nccn2C)C2CC2)c1 65395429 VTTZOFHWXFUXRV-MRXNPFEDSA-N 316.380 2.547 0 50 DFAA CCCCn1cc(C(=O)NCc2ccc([C@H](C)N)cc2)c(C)n1 422891756 WJQVZMHELJOFRM-ZDUSSCGKSA-N 314.433 2.941 0 50 DFAA COC(=O)c1oc([C@H](C)Sc2ncnc3[nH]cnc23)cc1C 119432299 MYHVMCHHHNJCJR-QMMMGPOBSA-N 318.358 2.894 0 50 DFAA C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H](N(C)C)C1 229625117 IBLRAWCAHNHSLG-CHWSQXEVSA-N 309.841 2.693 0 50 DFAA O=C(NCC1(C2CC2)CCC1)Nc1cccc(-n2ccnn2)c1 152177803 GUJVDOXLPQJNOP-UHFFFAOYSA-N 311.389 2.969 0 50 DFAA C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccnn1C 360877669 RESGPBURRMWXEB-LLVKDONJSA-N 319.386 2.548 0 50 DFAA CCc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)n[nH]1 328625246 KNGGUPVCRWQCJW-NSHDSACASA-N 318.446 2.929 0 50 DFAA COc1ccc(NC(=O)N2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)cc1 365536735 KBKWUYKKQMWHRR-XKQJLSEDSA-N 315.417 2.643 0 50 DFAA Cc1nc2cc(CNC(=O)CCc3cccnc3)ccc2n1C 215619638 WKTIIWXPGCXLTP-UHFFFAOYSA-N 308.385 2.526 0 50 DFAA Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc2ccoc2c1 442821720 CAZVUELUSOIABD-UHFFFAOYSA-N 321.310 2.833 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)CSc2ccccc2)[C@]12CCCO2 375876308 QEIAWYAPXDJHJA-ZMSDIMECSA-N 321.442 2.622 0 50 DFAA COc1ccc(CCCC(=O)N2CCC[C@H](C)[C@H]2CN)cc1 237199510 VKVBYAGWOYTHGN-WMLDXEAASA-N 304.434 2.604 0 50 DFAA Cc1ccc([C@H]2CCCN2S(=O)(=O)C[C@H]2CCCCO2)o1 240412741 FNXLLSLBJCMINK-ZIAGYGMSSA-N 313.419 2.624 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)CC2(N)CCC2)[C@@H](C)CO1 237700927 ZZPUSPHTCYPEGC-GOEBONIOSA-N 302.418 2.555 0 50 DFAA Cc1cc(N2CC[C@@]3(O)CCCC[C@H]3C2)n2nc(C)c(C)c2n1 72469251 ZAVTYVUAECFWPQ-YJBOKZPZSA-N 314.433 2.786 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)nc2ccccc12 238079796 VNTNYPBJKVJBCT-INIZCTEOSA-N 310.353 2.801 0 50 DFAA COc1ccc(CN(C)CCc2scnc2C)cc1C(=O)O 215216190 TUUNLOOLTXGRAZ-UHFFFAOYSA-N 320.414 2.833 0 50 DFAA CCCc1cnc(C)nc1N[C@@H]1CC(=O)N(CC(C)(C)C)C1 72163361 BPBYPERSSKPVFH-CQSZACIVSA-N 304.438 2.796 0 50 DFAA CC[C@](C)(COc1ncccc1Cl)NC(=O)c1cn[nH]c1C 178736004 SZLDCRCAULGAPZ-OAHLLOKOSA-N 322.796 2.744 0 50 DFAA Cc1ccc(CC(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cc1 82120190 UAELFTVGRVIWKB-UHFFFAOYSA-N 322.408 2.721 0 50 DFAA O=C(NCCCC1CCCC1)N1CCC(n2cnnc2)CC1 426441724 GXTQSSHBDJBCKQ-UHFFFAOYSA-N 305.426 2.595 0 50 DFAA OCCn1nc(C2CCCC2)nc1-c1ccc(-c2cc[nH]n2)cc1 96132038 FPROGIGXGQFKFI-UHFFFAOYSA-N 323.400 2.985 0 50 DFAA O=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1N1CCCC1 426420040 UTHLZYLPKZICQT-KRWDZBQOSA-N 324.380 2.843 0 50 DFAA CN(C)C(=O)C1(NC(=O)N2CCc3ccccc32)CCCCC1 295495945 NPPTZBGXTNPQST-UHFFFAOYSA-N 315.417 2.550 0 50 DFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cn2ccsc2n1 91519122 VTJKJDBWOUBNFU-AWEZNQCLSA-N 315.398 2.592 0 50 DFAA C[C@H](CO)CNC(=O)Nc1ncccc1OCC1CCCCC1 163148186 YHQKWDAHUHVCFX-ZDUSSCGKSA-N 321.421 2.791 0 50 DFAA CSc1ncc(CNC(=O)C[C@@H]2CCc3ccccc32)n1C 91915053 XRVMPKRLUZRTQJ-ZDUSSCGKSA-N 315.442 2.878 0 50 DFAA Cc1nonc1OCCNC(=O)Nc1ccccc1C(C)C 96164289 LIQMEQAHUPMNQJ-UHFFFAOYSA-N 304.350 2.702 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@H]2CCCCCN2C)s1 95359788 MNSRWUPCYWGGGC-CYBMUJFWSA-N 309.479 2.895 0 50 DFAA CCCc1nnc(NC2CCN(C3CCSCC3)CC2)o1 95379722 LFVHQQVWDSISLG-UHFFFAOYSA-N 310.467 2.794 0 50 DFAA COc1cccc(Cl)c1[C@H](C(=O)O)N1CCSCC1 95380531 DPQMETFQCJGOOX-GFCCVEGCSA-N 301.795 2.523 0 50 DFAA Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCc1cccn1C 534593138 KWUVOKYZULTSHM-OAHLLOKOSA-N 314.433 2.544 0 50 DFAA c1cncc([C@H]2C[C@H](Sc3nc4cncnc4[nH]3)CCO2)c1 629176891 OGPALZBJRDFPBV-DGCLKSJQSA-N 313.386 2.760 0 50 DFAA Cc1noc(C)c1CCC(=O)NCc1nc2c(C)cccc2o1 299801134 WOBZPGGSXCAHIA-UHFFFAOYSA-N 313.357 2.990 0 50 DFAA COc1ccc(Cc2nc(C3(CO)CC3)n(C(C)(C)C)n2)cc1 828685504 OFEDAFIYSZTMLW-UHFFFAOYSA-N 315.417 2.656 0 50 DFAA CC(=O)N[C@@H](C)CC(=O)N(C)Cc1cc2ccccc2s1 584896042 AIBNJOYNAQOAJB-NSHDSACASA-N 304.415 2.774 0 50 DFAA CCc1sc(N2C[C@@H](C(=O)O)CC2=O)nc1-c1ccccc1 585122810 SUOIEJSXXUWLKS-NSHDSACASA-N 316.382 2.810 0 50 DFAA CNC(=O)C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1 670449790 VRURPXLCEAOBBF-GFCCVEGCSA-N 300.324 2.663 0 50 DFAA CCCc1nc(CN2CCC(O)(c3ccccc3)CC2)no1 185494952 MAFQBJJDZGPYMY-UHFFFAOYSA-N 301.390 2.506 0 50 DFAA CC1(c2nc(COc3cccc(Cl)c3Cl)no2)CNC1 1875266435 ZDNBHNPYWBTUCC-UHFFFAOYSA-N 314.172 2.816 0 50 DFAA CCc1nc(C(=O)N2CCN(c3ccccc3F)CC2)cs1 1875274107 HOXSEUGHEANNIL-UHFFFAOYSA-N 319.405 2.807 0 50 DFAA Cc1nc(CN2C(=O)CCNC2=O)oc1-c1ccc(Cl)cc1 1875278836 LZLPODFARCRYHN-UHFFFAOYSA-N 319.748 2.745 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 873281718 PGYACTPSHGCVHU-BMIGLBTASA-N 318.352 2.810 0 50 DFAA Cc1csc2c(=NCc3ccc4c(c3)OCCN4)[nH]cnc12 1875280007 OZVWRTPQKNVFAS-UHFFFAOYSA-N 312.398 2.838 0 50 DFAA COC(=O)C1(COc2cccc(O[C@@H]3CCCCO3)c2)CC1 1875290765 CEVXAYIJMFZPCD-OAHLLOKOSA-N 306.358 2.924 0 50 DFAA Cc1cccc(-c2noc([C@H](C(C)C)N3CCCC3=O)n2)n1 952994835 VKKPMMLZEIDUSZ-AWEZNQCLSA-N 300.362 2.760 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncccn2)cc1 952993149 FHOMQILHHZYYSO-HNNXBMFYSA-N 317.414 2.701 0 50 DFAA Cc1nc(CN[C@@H]2CCC(=O)N[C@H]2c2ccccc2)sc1C 894928678 AEPWGKPFDVXMHT-PBHICJAKSA-N 315.442 2.869 0 50 DFAA Nc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2F)nn1 888077181 RBOYQEGZDWGWSR-CYBMUJFWSA-N 320.755 2.829 0 50 DFAA O=C(NCc1cncc(F)c1)C1(c2ccccc2)CCOCC1 1412575107 PAVRJDXRNALION-UHFFFAOYSA-N 314.360 2.585 0 50 DFAA C[C@H]1CN(C(=O)Nc2cccc([S@](C)=O)c2)C[C@@H](C)S1 170002499 DMXNOEALVHNFGV-JHTDMNASSA-N 312.460 2.782 0 50 DFAA Fc1cnc(NCc2ccc(OCCN3CCCC3)cc2)nc1 170683200 OZOMXXZANSWTSM-UHFFFAOYSA-N 316.380 2.702 0 50 DFAA O=C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]1C1CCC1 408500693 PGOZXNWSVBHYFL-DTWKUNHWSA-N 319.835 2.643 0 50 DFAA CCc1ccc2occ(C(=O)NC[C@@H]3CCN(C(C)=O)C3)c2c1 408517555 KIIIOVDOBBONFF-AWEZNQCLSA-N 314.385 2.593 0 50 DFAA Cc1ccc([C@H](O)CNC(=O)c2ccncc2C(F)(F)F)cc1 192233278 FUAKVUFLZGFOIK-CQSZACIVSA-N 324.302 2.872 0 50 DFAA CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](CCF)C2)nn1 666823839 WTZUXDYDFFODRR-LBPRGKRZSA-N 310.373 2.867 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)C1 668266956 AVDJJTJHYPYMFM-JKSUJKDBSA-N 317.385 2.517 0 50 DFAA N[C@H]1CC[C@H](NC(=O)Cc2ccccc2OCc2ccccc2)C1 213116144 IIPSHPXOVISRPY-ROUUACIJSA-N 324.424 2.804 0 50 DFAA CCCC[C@H](N)C(=O)Nc1c(C)c(-c2ccccc2)nn1C 1529112483 LXNFBYGMLRYCBA-AWEZNQCLSA-N 300.406 2.852 0 50 DFAA CCN(C)c1cc(N(C)Cc2ccccc2CN(C)C)ncn1 1529181348 MQZRSOOQPIMPOW-UHFFFAOYSA-N 313.449 2.631 0 50 DFAA CCCc1nnc(Sc2ncc(Br)cn2)o1 133181411 LUUSPZFFYNXYKT-UHFFFAOYSA-N 301.169 2.726 0 50 DFAA C[C@@]1(C2CC2)Cc2nnc(CCc3nc4ccccc4[nH]3)n2C1 1775979073 FDVSPBRMZWZYFK-GOSISDBHSA-N 307.401 2.912 0 50 DFAA O=C(Cc1ccncc1)N1CCO[C@@H](CCCc2ccccc2)C1 11934782 NTMMZCSYPQMMGV-IBGZPJMESA-N 324.424 2.874 0 50 DFAA COc1ccc(C)nc1N(C)Cc1nc(O)c2ccccc2n1 1857677302 VNTNHADTKUSICH-UHFFFAOYSA-N 310.357 2.684 0 50 DFAA Cc1cnnc(N2CCN([C@H]3CCc4ccccc4C3)CC2)c1C 1857676193 DLKNVXFAKXMIKL-IBGZPJMESA-N 322.456 2.773 0 50 DFAA COc1ccc2c(c1)OC[C@@H](Cn1ccnc1-c1ncc[nH]1)C2 1857706301 POEZDTZGEUSKAO-GFCCVEGCSA-N 310.357 2.533 0 50 DFAA CN(C)Cc1ccc(-c2ccc([C@H]3CNC(=O)C3)cc2)c(CO)c1 1875251615 CFFULAKHDBMMEP-QGZVFWFLSA-N 324.424 2.511 0 50 DFAA CCOc1ccc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 236915776 OOBMEAALNXZWSV-OAHLLOKOSA-N 319.401 2.731 0 50 DFAA C[C@@H]1CCC[C@H](CC(=O)N(CCC(=O)O)C2CCOCC2)C1 237604136 LBJZNZKEHWTCTP-KGLIPLIRSA-N 311.422 2.685 0 50 DFAA Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)on1 338880100 HYVMCNJXAKDBRL-UHFFFAOYSA-N 309.329 2.898 0 50 DFAA CO[C@H]1C[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)N(C)C1 344636226 YUNNIKREYJHNLI-GJZGRUSLSA-N 322.836 2.555 0 50 DFAA Brc1ccc2[nH]nc(I)c2c1 14983562 IBFAYUXCRDDBRD-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro CC(C)OC1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1 156530113 BONLFAOHPQCQJX-UHFFFAOYSA-N 305.374 2.881 0 50 DFAA COC(=O)C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccncc1 584908855 OZNIVTKFSHOZEN-QCEMKRCNSA-N 316.401 2.628 0 50 DFAA CC1(C)C[C@@H](NC(=O)Nc2nnc(C(C)(C)C)s2)CCO1 163020810 QHDQXHVRQRBQHM-VIFPVBQESA-N 312.439 2.915 0 50 DFAA Cc1cccc2c(CCNC(=O)[C@@H]3CCc4cn[nH]c4C3)c[nH]c12 266279280 FOPDOZRHUHGQTM-CYBMUJFWSA-N 322.412 2.663 0 50 DFAA CC[C@@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1ccccn1 818028498 YOQJGBDMZNKLHT-TZMCWYRMSA-N 319.405 2.658 0 50 DFAA Cc1ccc(N2CCN(C(=O)c3cc4occc4[nH]3)CC2=O)cc1 804135710 OIHRBDSFUGDOPB-UHFFFAOYSA-N 323.352 2.558 0 50 DFAA Cc1csc([C@@H]2CN(c3cc(C(F)F)ncn3)CCO2)n1 928995582 BWTATKJJSSBVGM-JTQLQIEISA-N 312.345 2.757 0 50 DFAA Cn1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cn1 1430103 IJXSLGDHWOHMQF-UHFFFAOYSA-N 306.174 2.528 0 50 DFAA COc1cccc(C2CC(NC[C@H]3CNC(=O)C(C)(C)C3)C2)c1 2325797250 JMGOJABLDUGVHO-JEYLPNPQSA-N 316.445 2.693 0 50 DFAA Cc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(CC(F)F)n1 2325872823 OGZUOMSHMSKJCP-UHFFFAOYSA-N 320.343 2.773 0 50 DFAA Cc1ccc([C@H](O)CN[C@@H](C)[C@@H]2COc3ccccc3C2)o1 902817352 ZZCWUIXJRDYFNJ-CWRNSKLLSA-N 301.386 2.851 0 50 DFAA CC(C)(C)[C@@]1(CN)CCN(CCOC2CCSCC2)C1 903779399 YPLREWIDQLQTLD-MRXNPFEDSA-N 300.512 2.596 0 50 DFAA COc1cccc(N2C(=O)C[C@H](Sc3ccccn3)C2=O)c1 85268 NECVQAJOWJVOLO-ZDUSSCGKSA-N 314.366 2.514 0 50 DFAA COc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 438347 UDVWDNHIUFIOOF-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA CCOC(=O)c1sc(C)c(C(=O)NCc2ccccc2)c1N 497677 JIMBXOAXBCUXGS-UHFFFAOYSA-N 318.398 2.745 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 516628 BDTNPUWZUIRQPI-UHFFFAOYSA-N 304.371 2.836 0 50 DFAA Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)cc1 2824699 AAHQMWWQAMVJCT-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCCCC1 2846068 FQBQAZVVCLIYJE-UHFFFAOYSA-N 300.280 2.656 0 50 DFAA O=C(NCCOc1ccccc1)C(=O)c1c[nH]c2ccccc12 2875220 KASRRSAOIITHBO-UHFFFAOYSA-N 308.337 2.546 0 50 DFAA COC(=O)C(Cl)(Cl)[C@@H](O)C(Cl)=C(Cl)Cl 3075311 MHAZKHHTVMCLTP-VKHMYHEASA-N 302.368 2.580 0 50 DFAA CC(C)(C)c1ccc2c(c1)OCCOCCOCCOCCO2 3895784 LNNVNAOXLAULPK-UHFFFAOYSA-N 324.417 2.805 0 50 DFAA Cc1cc(C)c(S(=O)(=O)Cc2ccc(Cl)cc2)c(=O)[nH]1 4025009 GQIBOJVYQDEUDJ-UHFFFAOYSA-N 311.790 2.619 0 50 DFAA CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CCC2 4150898 DDAPRYGZQUYYOW-UHFFFAOYSA-N 324.446 2.694 0 50 DFAA O=C(NCc1ccco1)C1CCN(Cc2ccc(F)cc2)CC1 4725446 NNSJRDLTTHGPQR-UHFFFAOYSA-N 316.376 2.947 0 50 DFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 4842143 SYNMJGQQGKXQSM-UHFFFAOYSA-N 322.361 2.840 0 50 DFAA CC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2C(=O)O)cc1 4989627 ATNLCRWIOTYBGJ-UHFFFAOYSA-N 313.309 2.871 0 50 DFAA COc1cc(CNC(=O)c2cccc(C)c2)cc(OC)c1OC 9887906 RUMBAVBRUOXEIS-UHFFFAOYSA-N 315.369 2.951 0 50 DFAA COc1ccc(CN2CCc3nnc(C(C)C)n3CC2)cc1C 23129355 PYIKEPKYCLCVJR-UHFFFAOYSA-N 314.433 2.777 0 50 DFAA c1ccc(Cn2nnnc2SCc2nc3ccccc3[nH]2)cc1 36646361 VHWNAFASIAKDIM-UHFFFAOYSA-N 322.397 2.890 0 50 DFAA biogenic,in-vitro CCCN(Cc1cccnc1)C(=O)c1cccc(C(=O)OC)c1 55211971 BDSCFZDXTNOUNM-UHFFFAOYSA-N 312.369 2.921 0 50 DFAA O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1c1ccccn1 55514892 QYWXBDBOIPQIRF-AWEZNQCLSA-N 312.398 2.697 0 50 DFAA Cc1cccnc1N1CCN(Cc2cc(C(C)(C)C)[nH]n2)CC1 67886157 QBRPKOKOURUUOD-UHFFFAOYSA-N 313.449 2.733 0 50 DFAA COc1cccc([C@@H]2CCCCN2C(=O)N2CCOCC2)c1 72161051 XRVVVZHXYBKZGW-INIZCTEOSA-N 304.390 2.674 0 50 DFAA Cc1nc(N)cc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 91526153 SQUDBZXINZGISY-ZDUSSCGKSA-N 322.416 2.703 0 50 DFAA CC(C)OC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91656112 ULFHGZJQXQXBIP-JKSUJKDBSA-N 303.406 2.523 0 50 DFAA CCn1ccnc1C1CCN(C(=O)Cc2cccs2)CC1 95528675 CUOKIOCWPUWSBH-UHFFFAOYSA-N 303.431 2.913 0 50 DFAA COc1ccccc1-c1cc(=O)n2nc(-c3ccccc3)nc2[nH]1 100071897 NEYSEVNUIZRRAY-UHFFFAOYSA-N 318.336 2.760 0 50 DFAA CCOC(=O)c1c(-c2c(O)c(F)c(F)c(F)c2F)n[nH]c1C 103785415 KZLACORWXUTCKK-UHFFFAOYSA-N 318.226 2.824 0 50 DFAA COc1ccc(CN2CCN(C(C)C)C[C@H]2CCO)c(C)c1C 104465409 ZHYROUIVUOFKEY-GOSISDBHSA-N 320.477 2.589 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(Br)c(F)c1 124700960 RDYOHZYWBCYBAQ-PSASIEDQSA-N 315.186 2.540 0 50 DFAA Cc1cccc([C@@H]2CCCN2c2cc(=O)n3ccccc3n2)n1 150922953 WTZUXTYUQRPSKF-HNNXBMFYSA-N 306.369 2.739 0 50 DFAA CCO[C@H]1C[C@H](N(C)C(=O)C2CCNCC2)C12CCCCC2 162030294 VBYSWRIWCNMQFW-HOTGVXAUSA-N 308.466 2.572 0 50 DFAA O=S(=O)(O)c1nc2ccccc2n1CCc1ccccc1 169694808 HSHCBOFBRHIKDO-UHFFFAOYSA-N 302.355 2.526 0 50 DFAA O=C1CCCc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc21 170619040 IGUCTMMNNOSMBX-PRRDBKRISA-N 307.349 2.517 0 50 DFAA COc1ccccc1CNC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 177794336 OJGXOIZFSVOMAQ-KUHUBIRLSA-N 313.397 2.866 0 50 DFAA C[C@H](N[C@H](C)Cn1ncc2ccccc2c1=O)c1cccc(O)c1 194940217 AAZCUKYARGEOOH-KGLIPLIRSA-N 323.396 2.841 0 50 DFAA CC(C)n1ccnc1CN(C)C[C@@H]1COc2ccccc2O1 195513848 WTDDRNNOHGOYHF-CQSZACIVSA-N 301.390 2.736 0 50 DFAA COc1ccc(CN2CCC(OCc3ccccn3)CC2)cn1 215692435 UHXIHXGQSKUWIE-UHFFFAOYSA-N 313.401 2.666 0 50 DFAA CCCn1ccnc1CNC(=O)CCc1ccccc1OC 219213273 RSZLGUMAUHSANL-UHFFFAOYSA-N 301.390 2.551 0 50 DFAA COc1cc(F)c(C(=O)N2CCCC[C@@H]2CCCO)c(F)c1 219643584 KVSKRWKCAHHYRZ-LLVKDONJSA-N 313.344 2.741 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)N[C@H](c1ccc(F)cc1)C1CC1 230125884 KDGWFFSYEOGSPR-VUCTXSBTSA-N 321.392 2.977 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 237643172 IDEAASKEHUAKSB-KSSFIOAISA-N 301.386 2.820 0 50 DFAA O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 238189980 CSIRIEFIDMPLBY-UHFFFAOYSA-N 323.270 2.975 0 50 DFAA Cc1nc(CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)cs1 241121811 JEBKSXZXOXDDTJ-RTUWITSCSA-N 307.419 2.698 0 50 DFAA c1ccc(CN(Cc2nc(-c3ccncc3)no2)C2CC2)nc1 244646874 GQRYOKLXSBOSLC-UHFFFAOYSA-N 307.357 2.691 0 50 DFAA CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 245231830 JVCWLPHGDRCCOH-XTPYWUFDSA-N 309.365 2.643 0 50 DFAA C[C@H]1Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)cc2NC1=O 248048534 WEUYOEPSJJLMCY-BLFANLJRSA-N 300.358 2.781 0 50 DFAA CC(C)[C@H]1C=CCN1C(=O)c1ccc(N2CCOCC2)cc1 252509649 YTAFAUDWXIAERT-QGZVFWFLSA-N 300.402 2.560 0 50 DFAA COc1ccc(CN2CCC[C@@H]2CN(C(C)=O)C2CC2)cc1 275628158 JOKJRQBJTRAXCQ-QGZVFWFLSA-N 302.418 2.671 0 50 DFAA CC[C@](C)(O)CNC(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 280336104 ZOSHTALVSNKIJO-DEYYWGMASA-N 317.433 2.958 0 50 DFAA COC1CCN(c2nnc(-c3ccccn3)n2CC(C)C)CC1 283028796 MXZQAUDJLXBXIJ-UHFFFAOYSA-N 315.421 2.611 0 50 DFAA CC(C)=CCC[C@@H](C)N[C@@H]1CCCN(c2nccnc2O)C1 328627616 GIPBZZQVVMUNKT-HUUCEWRRSA-N 304.438 2.876 0 50 DFAA Cc1nc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)oc1C 328635972 NVJACWVITGMRGL-WMZOPIPTSA-N 314.433 2.811 0 50 DFAA COCC1(O)CCN(c2nc(C3CCCCC3)ns2)CC1 333737052 XBBRXUMMQKAOKX-UHFFFAOYSA-N 311.451 2.564 0 50 DFAA CCCCn1nccc1NC(=O)Cn1nc(C)c(Cl)c1C 338670528 LEYQGACIAFQCBU-UHFFFAOYSA-N 309.801 2.789 0 50 DFAA CC(=O)N[C@@H](CC(=O)N1[C@H]2CCC[C@H]1CC2)c1ccccc1 378031576 LBDULEODHONXEJ-ULQDDVLXSA-N 300.402 2.797 0 50 DFAA CCc1ccccc1S(=O)(=O)NC(=O)C1CC2(CCC2)C1 408493236 ADFOWWGPLLKWMU-UHFFFAOYSA-N 307.415 2.634 0 50 DFAA Cc1cc(C(=O)NCC2(N(C)C)CCCCC2)nn1C(C)C 448574045 PWFVEFPFDQJPSU-UHFFFAOYSA-N 306.454 2.767 0 50 DFAA CCn1nnc(C)c1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 449021019 RYVSIBYNPJPRJS-DYVFJYSZSA-N 300.406 2.568 0 50 DFAA CN(Cc1nccs1)C(=O)NC[C@@H]1CCN(C2CCCC2)C1 584891957 JIJITFFBOBQVDT-ZDUSSCGKSA-N 322.478 2.549 0 50 DFAA CCOc1ccc(NS(=O)(=O)c2cc(C)ns2)c(C)c1 585119117 RYORTJJJFRQYPJ-UHFFFAOYSA-N 312.416 2.959 0 50 DFAA CCCCN(C)c1ccc(C(=O)N[C@@H]2CCn3cncc32)cc1 585122660 PQEXLUVYFRLWNA-MRXNPFEDSA-N 312.417 2.994 0 50 DFAA O=C(c1ccoc1C1CC1)N(C[C@@H]1CCCO1)c1ccnnc1 585125683 BGDLVLKPGMULBZ-AWEZNQCLSA-N 313.357 2.773 0 50 DFAA CCS[C@H]1CCCCN(C(=O)c2cncc3ncn(C)c23)C1 585132409 VVVUELJGAGBTGZ-LBPRGKRZSA-N 318.446 2.716 0 50 DFAA O=S(=O)(C[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1 585136416 FGIZWEXUJLYBJI-QMMMGPOBSA-N 323.119 2.690 0 50 DFAA Cn1nc(C(=O)O)cc1CNC[C@@H]1CCC[C@H]1c1ccccc1 635311183 MOVXNGVIGDBNLB-HOCLYGCPSA-N 313.401 2.792 0 50 DFAA O=C(NC1(C(F)F)CCCC1)c1cnn(-c2cccnc2)c1 644560273 CCRQTCURXIQXHJ-UHFFFAOYSA-N 306.316 2.575 0 50 DFAA COc1cccc(-c2ccc(C(=O)NC3CCOCC3)nc2)c1 665126979 LVNWFRIVCACXRW-UHFFFAOYSA-N 312.369 2.666 0 50 DFAA CCOc1nc(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)co1 680357833 TYGFKXNHGLHBCA-IUODEOHRSA-N 316.357 2.676 0 50 DFAA CCCCCc1nc([C@H](C)NC(C)=O)n(-c2ccncc2)n1 822859132 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O=C(O)Cc1ccc(F)c(-c2ccc([C@@H]3CNC(=O)C3)cc2)c1 1875246938 HUQITJJXVXMLLT-AWEZNQCLSA-N 313.328 2.723 0 50 DFAA O=C(COc1ccccc1O)Nc1ccc(O)c2c1CCCC2 1875310363 NLKFTCPEUZHPDF-UHFFFAOYSA-N 313.353 2.994 0 50 DFAA Cn1c(CC(=O)N[C@H](CN)C2CCCCC2)cc2ccccc21 1875312754 TWGQYCTZHTWXCG-QGZVFWFLSA-N 313.445 2.745 0 50 DFAA Cc1cccc(C(=O)N=c2cc(-c3ccc(F)cc3)n(C)[nH]2)c1N 1875317009 LWCBGPGLNJEKBA-UHFFFAOYSA-N 324.359 2.791 0 50 DFAA CC(C)C[N@]1C[C@H]1COc1cc(CO)cc(C(F)(F)F)c1 1875381145 LLTNFMHHOUJCCH-ORAYPTAESA-N 303.324 2.917 0 50 DFAA CC[C@@H](C(=O)N1CCC[C@@]2(C1)OC[C@@H]1C[C@@H]12)C1(O)CCCCC1 2325782966 PWRVGPHIAODISN-FPXQBCRKSA-N 321.461 2.735 0 50 DFAA O[C@@]1(c2ccccc2)CCC[C@H]2CN(C3CCOCC3)C[C@H]21 2356157501 NSWNBPJAPPMPNR-KFKAGJAMSA-N 301.430 2.785 0 50 DFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCSC1=O 465631 WUXYICQFHVPMFN-LLVKDONJSA-N 313.806 2.646 0 50 DFAA CCCN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O 1165220 AZCWZALZHANVKN-UHFFFAOYSA-N 314.385 2.755 0 50 DFAA O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccccc1 2529402 CZYPVWPIQLWBJL-UHFFFAOYSA-N 313.744 2.689 0 50 DFAA CCCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 2836218 BFDOWXQYSXRLFS-UHFFFAOYSA-N 308.809 2.718 0 50 DFAA C[C@@H](CNC(=O)c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 2903543 UUAJVOFYROXYKQ-NSHDSACASA-N 318.323 2.513 0 50 DFAA COc1ccc(CNC(=O)c2cc(-c3ccc(O)cc3)on2)cc1 3907752 PYKHIACHKWMPGM-UHFFFAOYSA-N 324.336 2.986 0 50 DFAA O=C(O)c1ccccc1N1C(=O)CC(c2ccccc2)CC1=O 4315415 ICHNDOHXZSNGEL-UHFFFAOYSA-N 309.321 2.822 0 50 DFAA Cc1cccc(CCNc2nc3ccccc3n3nnnc23)c1 4922943 OCTZEJNLAQCHGA-UHFFFAOYSA-N 304.357 2.636 0 50 DFAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCO2 6699265 JDYLECOWUDBAFX-UHFFFAOYSA-N 314.744 2.850 0 50 DFAA C[C@H](c1nc(C2CC2)no1)N1CCO[C@@H](c2cccc(O)c2)C1 247164123 SGWNETLXKYFYHE-IAQYHMDHSA-N 315.373 2.787 0 50 DFAA Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)C2CCOCC2)c1 134785797 YSQGQWDJBYYXLU-HUUCEWRRSA-N 320.433 2.877 0 50 DFAA Cc1ccccc1NC(=O)C[C@H]1C(=O)N=C2Nc3ccccc3N21 20103313 UYZVMAIFPRBEOP-HNNXBMFYSA-N 320.352 2.521 0 50 DFAA CCOC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10112295 VLTYHCCOZSVOMU-UHFFFAOYSA-N 319.382 2.973 0 50 DFAA Cc1nnc(NC(=O)N(C)[C@H](C)Cc2ncccc2C)s1 23339513 WVQIILKHTGVZMS-SNVBAGLBSA-N 305.407 2.645 0 50 DFAA Cc1ccc(CCNC(=O)[C@H](c2cccc(F)c2)N(C)C)o1 65399226 KKZORPPASLMOBT-INIZCTEOSA-N 304.365 2.689 0 50 DFAA CC(C)n1cnnc1CN(C)Cc1cccc(-n2cccn2)c1 65403741 SVNSKOJHTSWKNJ-UHFFFAOYSA-N 310.405 2.677 0 50 DFAA C[C@@H](O)CNc1ccc(-c2nc(CCc3ccccc3)no2)cn1 20599251 QOZMZLUIMJRGKD-CYBMUJFWSA-N 324.384 2.710 0 50 DFAA Cc1cccc(CN2CCC(C(=O)NCc3ccccn3)CC2)c1 20100427 WXJZEMDJAGBTNJ-UHFFFAOYSA-N 323.440 2.918 0 50 DFAA Cc1cc(OCCOCCN2CCN(C)CC2)cc(C(C)C)c1 20117925 WHTNWXCLOHQIBX-UHFFFAOYSA-N 320.477 2.761 0 50 DFAA CCOC(=O)C1(CC2CC2)CCN(C(=O)c2cscn2)CC1 12453195 HOYMZRXZACCTMO-UHFFFAOYSA-N 322.430 2.729 0 50 DFAA O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2nc(C3CC3)no2)C1 121123286 VNAFCTNMQSFEST-RISCZKNCSA-N 321.327 2.533 0 50 DFAA CCNC(=O)c1cccc(-n2c(CCCO)nc3ccccc32)c1 65528336 GWZVRUBYXLTIJJ-UHFFFAOYSA-N 323.396 2.700 0 50 DFAA c1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1 426444 XGPCFBIAAHVEIE-UHFFFAOYSA-N 302.341 2.823 0 50 DFAA CCN(CC)C(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 39569537 VAYOSLLFUXYJDT-KBXCAEBGSA-N 323.440 2.906 0 50 DFAA in-vitro O=C(CC1CCCCCC1)N1CCCC[C@@H]1c1nc(O)n[nH]1 329208650 YTGFMZJEIXSPEF-CYBMUJFWSA-N 306.410 2.924 0 50 DFAA c1ccc([C@@H]2COCCN2CC2CCC3(CC2)OCCO3)cc1 253427989 BYDCDPIPUKDZEZ-SFHVURJKSA-N 317.429 2.993 0 50 DFAA CN(C)c1cccc(CCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 253421363 VEMAZMIVHHMUIK-ROUUACIJSA-N 316.445 2.855 0 50 DFAA Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccco2)c1 253599792 VVZGNGKFAMSBHL-XHSDSOJGSA-N 313.401 2.969 0 50 DFAA CCn1c(NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)nc2ccccc21 150698170 QIVJNWBQFCGYHK-AGUYFDCRSA-N 312.417 2.915 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[C@H]2CCCCN2C1=O 331795132 UCOADYXLNUDMLR-TZMCWYRMSA-N 304.390 2.595 0 50 DFAA COc1ccc([C@H](C)NC(=O)c2cn3c(n2)CCCC3)cc1F 332305757 LWLULTSRMSAMAA-NSHDSACASA-N 317.364 2.858 0 50 DFAA NCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71415589 JOLCOABOIMZASS-LBPRGKRZSA-N 314.351 2.835 0 50 DFAA C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)c1cncs1 338910858 RHGBIFXKYOBNNO-JTQLQIEISA-N 315.398 2.543 0 50 DFAA COc1ccc(CNC2CCN(c3ccccn3)CC2)cc1F 237359045 DGHAZKGNLSETAV-UHFFFAOYSA-N 315.392 2.988 0 50 DFAA C[C@H](CO)CNCc1cc2ccccc2nc1N1CCCCC1 237388567 MYTGDLUGCNWYQN-HNNXBMFYSA-N 313.445 2.943 0 50 DFAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)O)nc1 237608968 CCNDKZZGBGGDKE-SWLSCSKDSA-N 310.353 2.798 0 50 DFAA Cc1cccc(Cl)c1C(=O)NCc1nnc(C2CC2)n1C 450639399 APCRYERVKKWQIB-UHFFFAOYSA-N 304.781 2.584 0 50 DFAA O=C(CCCc1cn[nH]c1)N1CCO[C@@H](CC2CCCCC2)C1 71776665 RMPATKUQPQINHG-KRWDZBQOSA-N 319.449 2.930 0 50 DFAA CC[C@H](C)[C@@H](CNC(=O)NC[C@@](C)(O)CCC(C)C)OC 458955423 BHNZBKOCIIQZEG-LZWOXQAQSA-N 302.459 2.534 0 50 DFAA CC(C)(CCc1ccccc1)NC(=O)C[C@@H]1CSCCN1 132814274 LCJUUWUMIJTSFQ-OAHLLOKOSA-N 306.475 2.609 0 50 DFAA Cc1cn2cc(C(=O)N3CCc4ccc(F)cc4C3)ccc2n1 82099359 KURAAOBJWFNXFH-UHFFFAOYSA-N 309.344 2.980 0 50 DFAA CC[C@H](NC(=O)c1cc(CN(CC)CC)oc1C)C1CC(O)C1 220325748 AUNQYOHGTVMAOK-KVULBXGLSA-N 322.449 2.709 0 50 DFAA CN(C)c1cccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)c1 82138565 QWGSAAQFWOXQLO-OAHLLOKOSA-N 312.417 2.506 0 50 DFAA CC(C)Oc1cccc(-c2noc(C[C@@H]3CCCC(=O)N3)n2)c1 288825886 CAHPDHDICWKDIZ-ZDUSSCGKSA-N 315.373 2.735 0 50 DFAA O=C(c1ccco1)N1CCN([C@H]2CCc3ccc(F)cc32)CC1 177666835 AZUNJEWXUIUQAC-INIZCTEOSA-N 314.360 2.864 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 222247427 IPDBSUZSHWFZDN-ZAZJYDDPSA-N 324.163 2.826 0 50 DFAA C[C@H](NC(=O)N1CCSCC1)c1nc(-c2ccccc2)no1 426535302 YIPOZZFRSOLYEJ-NSHDSACASA-N 318.402 2.556 0 50 DFAA Cc1c(NCC(=O)N2CCO[C@H](C)C2)cccc1C(F)(F)F 178036441 SDAKNTNLKKWFNO-SNVBAGLBSA-N 316.323 2.673 0 50 DFAA Cc1[nH]nc(O)c1CC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 426514628 ITYUMCRBUMIYBY-HNNXBMFYSA-N 313.401 2.618 0 50 DFAA COCCN(Cc1ccsc1)C(=O)c1ccn(C(C)C)n1 426621536 BWNLGPDOSDCZBN-UHFFFAOYSA-N 307.419 2.814 0 50 DFAA CC(C)c1cc(CSc2nnc([C@@H]3CCCNC3)n2C)on1 426604632 UQOKGLJCHCGVCM-LLVKDONJSA-N 321.450 2.686 0 50 DFAA Cc1cc(CNC[C@H]2CC[C@@H](CO)O2)cc(C)c1OC(F)F 292506347 CTPBGVYRUNFTAL-KGLIPLIRSA-N 315.360 2.534 0 50 DFAA C[C@H]1CN(c2ccccc2Cl)C(=O)CN1C(=O)c1ccc[nH]1 82106394 QPUXHZFXSQLAKU-NSHDSACASA-N 317.776 2.546 0 50 DFAA Oc1ccc(OC(F)(F)F)cc1-c1ccc(NC2CC2)nn1 426376407 QDGIOWXRTGDBIW-UHFFFAOYSA-N 311.263 3.322 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)C[C@H](C)CN2CCCC2)on1 91635720 HLODHXXJEDRPGT-AWEZNQCLSA-N 307.438 2.677 0 50 DFAA COCc1cccc([C@H](C(=O)O)N(C)Cc2csc(C)n2)c1 95357577 JJESIIGPIWUVAO-OAHLLOKOSA-N 320.414 2.856 0 50 DFAA CCN(CC)[C@H]1CCN(C(=O)c2cc(CC(C)C)nn2CC)C1 91794316 PVWMYPARQHYPHK-INIZCTEOSA-N 320.481 2.658 0 50 DFAA CCc1noc([C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)n1 91289180 WGDJSIKIPUAHFZ-LBPRGKRZSA-N 303.337 2.677 0 50 DFAA CC(C)n1ccnc1[C@@H]1CCCN(c2ccc(C(=O)O)cn2)C1 95387344 FBTRQMSZWXQFAL-CQSZACIVSA-N 314.389 2.941 0 50 DFAA Cc1nc(NC[C@@H]2CCCN2C2CCCCC2)cc2nncn12 298531255 CKTTZDGIURTLCZ-HNNXBMFYSA-N 314.437 2.642 0 50 DFAA Cc1ccc(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc1F 625443433 GDFVGEHZBSQRQE-CXAGYDPISA-N 300.377 2.881 0 50 DFAA Cn1nccc1[C@@H]1OCC[C@H]1CNCCc1ccc2[nH]ccc2c1 299741429 FVKNXGFQRACUBA-QFBILLFUSA-N 324.428 2.811 0 50 DFAA CCc1nn2c(c1C(=O)NCC1CC1)N[C@@H](c1ccccc1)C2 263619656 ZUUNEDDNWGXMPW-OAHLLOKOSA-N 310.401 2.752 0 50 DFAA O=C1CC[C@H](N2CCSCC2)CCN1Cc1ccccc1 299801479 YQQQAJMBDIEGKZ-INIZCTEOSA-N 304.459 2.617 0 50 DFAA NC12C[C@H]3C[C@@H](C1)CC(CNc1ncnc4cnccc14)(C3)C2 1875303509 BLCWHCVOUIWRMB-NLKGSNSHSA-N 309.417 2.734 0 50 DFAA C[C@]1(c2ccc(NC(=O)c3cc(C(=O)O)n[nH]3)cc2)CC1(F)F 1875292742 RIIOGNCWGKBTDX-CQSZACIVSA-N 321.283 2.657 0 50 DFAA CC(C)COc1cccc(CN(C)[C@@H]2CC[S@@](=N)(=O)C2)c1 1875273094 QSDUIRJQAZKKOU-QVKFZJNVSA-N 310.463 2.972 0 50 DFAA O=C(CCc1cn[nH]c1)N1CCCC[C@@H]1CCc1ccccn1 952870224 YIZWPDQWSZFAHS-QGZVFWFLSA-N 312.417 2.751 0 50 DFAA C[C@H](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)NCCn1ccnc1 1775993451 RDHGBUBIBZSDHQ-CABCVRRESA-N 322.453 2.508 0 50 DFAA CN1C(=O)N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)[C@H]1Cc1ccccc1 1336937584 XYPTUMAURGKRKZ-MWDXBVQZSA-N 310.397 2.704 0 50 DFAA Cn1cncc1[C@@H]1C[C@H](NCc2cccc3cc[nH]c23)CCO1 275359182 ASWSWAZOWCNEIS-WBVHZDCISA-N 310.401 2.911 0 50 DFAA CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1cnccn1 170619871 CUUYXKGAIVVGFG-UHFFFAOYSA-N 307.353 2.917 0 50 DFAA CN(C(=O)CCc1nnc(-c2ccsc2)o1)c1cccnc1 172010697 BSAQKJAOWZMWLW-UHFFFAOYSA-N 314.370 2.789 0 50 DFAA C[C@@H](CC(=O)NC[C@H](O)c1cccnc1)Cc1cccc(F)c1 584908176 NYFWLPFHCAOAAI-DYVFJYSZSA-N 316.376 2.639 0 50 DFAA c1ccc2oc(CNC3CCN([C@H]4CCOC4)CC3)cc2c1 585091202 JCNXZYAODNHBDC-INIZCTEOSA-N 300.402 2.776 0 50 DFAA Cc1ccc(Br)cc1CNC(=O)C1CCOCC1 188227793 BALFZSXFDJJYSR-UHFFFAOYSA-N 312.207 2.800 0 50 DFAA COc1cccc(C(=O)N[C@@H](c2ccccc2)C(OC)OC)c1 408515395 HABIGPFTBZFYAI-INIZCTEOSA-N 315.369 2.785 0 50 DFAA CSc1nc(N[C@@H](CO)c2ccccc2)cc(C(F)F)n1 408523627 LVYNSZGAWMYSHV-NSHDSACASA-N 311.357 3.282 0 50 DFAA CC(C)c1cc(NC(=O)Nc2cnn(CC(F)(F)F)c2)[nH]n1 192266467 IZNINKSTMJAYAD-UHFFFAOYSA-N 316.287 2.936 0 50 DFAA CC(C)c1ccc(S(=O)(=O)[C@H](C)c2nnnn2C2CC2)cc1 195579487 SLQNQEZNNCJEGK-LLVKDONJSA-N 320.418 2.666 0 50 DFAA Cc1[nH]nc2c1CN(C[C@H]1CCCN1Cc1ccccc1)CC2 1506425196 OCEBKGZPPSSYBP-QGZVFWFLSA-N 310.445 2.741 0 50 DFAA CCCn1nccc1NC(=O)[C@@H]1CCCN(Cc2ccco2)C1 1529101855 OUJBLPZHGKDTNB-CQSZACIVSA-N 316.405 2.737 0 50 DFAA CO[C@@H]1CCC[C@]12CCCN(Cc1cnn3cccnc13)C2 1704338110 KYXTZZANPLBRQQ-NVXWUHKLSA-N 300.406 2.510 0 50 DFAA COc1ccc(-c2n[nH]cc2CN(C)Cc2ccon2)cc1F 12317626 LDAHWDGICFINBL-UHFFFAOYSA-N 316.336 2.844 0 50 DFAA COc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1 16623361 MJGHCRABQOKTKU-UHFFFAOYSA-N 305.399 2.791 0 50 DFAA CCC(=O)N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl 19228786 QACMYNVROPTNPW-NSHDSACASA-N 309.624 2.999 0 50 DFAA Cc1ccsc1C(=O)N[C@H]1CCN(Cc2c(C)noc2C)C1 169751770 LXYVQXKSJYPPOP-ZDUSSCGKSA-N 319.430 2.666 0 50 DFAA CN1C[C@H]2COC[C@@H]1CN(c1nc3ccc(Cl)cc3s1)C2 1875247301 YZFKOUXRFKEFDB-PWSUYJOCSA-N 323.849 2.717 0 50 DFAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccnc1 6700581 APGMGEJSLMQPMW-UHFFFAOYSA-N 308.403 2.816 0 50 DFAA COc1cccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c1F 237357351 OAMSXYLGIMAFFZ-LLVKDONJSA-N 309.337 2.551 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1c1nc(CC(=O)Nc2ccccc2)no1 252483166 DWJKCFHQKAVWGU-XJKSGUPXSA-N 315.373 2.779 0 50 DFAA Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(Cl)c(Cl)c1 20614716 OKSVRUPSLFPTFF-UHFFFAOYSA-N 314.128 2.677 0 50 DFAA COc1ccc(N2C(=O)c3ccc(OC)c(OC)c3C2=O)cc1 49341 REEJRHDPTXULEN-UHFFFAOYSA-N 313.309 2.513 0 50 DFAA CC(=O)N1CCC[C@@H]1[C@@H]1CCN(C(=O)c2cc(F)ccc2C)C1 2325875457 SNAGMSCJNQVOKB-RHSMWYFYSA-N 318.392 2.607 0 50 DFAA CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c(F)c1 617040 PVELINLRHHCFTD-UHFFFAOYSA-N 316.332 2.584 0 50 DFAA CCc1cc2c3c(c(=O)oc2cc1OCC(=O)OC)CCCC3 4151963 DBNAWMAKYUQELH-UHFFFAOYSA-N 316.353 2.786 0 50 DFAA S=C(Nc1ccc(Cl)cc1Cl)NN1CCOCC1 4741231 JIBCWIGWQXLEHR-UHFFFAOYSA-N 306.218 2.527 0 50 DFAA O=C(NCc1cccnc1)C1CCN(Cc2ccccc2)CC1 6896623 LCCWWQQATKKNKK-UHFFFAOYSA-N 309.413 2.610 0 50 DFAA CN1CCN(Cc2ccc(OC3CCCC3)cc2)C[C@H]1CCO 104455133 QAPFBWKILPGQHG-QGZVFWFLSA-N 318.461 2.506 0 50 DFAA C[C@@H](NC(=O)c1cccs1)C(=O)Nc1c(F)cccc1F 20284281 SJKABNOONUPEQM-MRVPVSSYSA-N 310.325 2.783 0 50 DFAA COc1cccc(CN2CCN(CC3CCC3)CC2)c1OC 20110055 DPCOHNJVWSAZGD-UHFFFAOYSA-N 304.434 2.622 0 50 DFAA CC[C@H](C)n1nccc1NC(=O)c1cc(CC(C)C)nc(N)n1 55099099 LQXFABWYZICBMY-NSHDSACASA-N 316.409 2.677 0 50 DFAA CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247929502 FHKYQOFFQUIRDT-GLQYFDAESA-N 320.820 2.859 0 50 DFAA O=C1CCC[C@H](Cc2nc(Cc3cccc(F)c3Cl)no2)N1 350077365 UNNNVCBEQVPLTB-SNVBAGLBSA-N 323.755 2.664 0 50 DFAA O=C(c1ccc(Br)cc1)c1nc2c(n1O)CCCC2 22184671 LXLFPXAUYJFZCD-UHFFFAOYSA-N 321.174 2.993 0 50 DFAA O=C(Nc1ccc2nc(S)[nH]c2c1)[C@@H]1CSCCS1 121748885 HPDJQKKQQLEKCT-JTQLQIEISA-N 311.457 2.639 0 50 DFAA C[C@H](NCc1ncnn1C)c1ccc(OC(F)(F)F)cc1 252496333 PGWHQBGPIYEARY-VIFPVBQESA-N 300.284 2.565 0 50 DFAA CC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67921754 PAPMIKNAXYIDBM-UHFFFAOYSA-N 318.760 2.849 0 50 DFAA CN(CCc1cnn(C)c1)Cc1ccc(-c2ccn[nH]2)s1 215752225 FHAIYIPMTYEXQR-UHFFFAOYSA-N 301.419 2.546 0 50 DFAA O=C(c1ccc(-n2ccnc2)cc1)N1CC(c2ccccn2)C1 72169624 MUXOWEADRHMVSM-UHFFFAOYSA-N 304.353 2.507 0 50 DFAA c1ccc(-c2nc(N3CCC[C@@H](Cn4ccnc4)C3)no2)cc1 77379309 TUVCUQIUURLPNA-AWEZNQCLSA-N 309.373 2.850 0 50 DFAA Cc1cccc(Cl)c1OCc1nc2c([nH]1)CCCNC2=O 216299877 YROQQDXIDCGWCY-UHFFFAOYSA-N 305.765 2.627 0 50 DFAA Cn1ccnc1C(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 215303038 IVZXJQRBNISESJ-ZFWWWQNUSA-N 301.365 2.700 0 50 DFAA Cc1nn(C)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 72117406 KIXQPUUAFSAIJL-SNVBAGLBSA-N 320.190 2.965 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 339441547 WITJNTBQBPIKNC-HZPDHXFCSA-N 303.333 2.686 0 50 DFAA Cn1c(NC2CCN(C(=O)c3ccoc3)CC2)nc2ccccc21 178804288 HZNLPXOPKMTSHH-UHFFFAOYSA-N 324.384 2.883 0 50 DFAA Cc1csc(CCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)n1 263450302 SBUFCLDLYOKIFA-XQQFMLRXSA-N 322.430 2.628 0 50 DFAA Cn1ncc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)n1 289744502 IMGPWQZEVDAGHG-UHFFFAOYSA-N 312.417 2.695 0 50 DFAA CSc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 179031682 CWBYDVXSSMANCQ-UHFFFAOYSA-N 302.447 2.912 0 50 DFAA Cc1cc(=O)cc(C(=O)N[C@H](C)c2nc3c(s2)CCCC3)o1 222642376 BVUFIWWCPRTXPR-SNVBAGLBSA-N 318.398 2.775 0 50 DFAA CC(Cl)(Cl)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 180161945 LGHCDKFIBUZQBN-SNVBAGLBSA-N 319.207 2.962 0 50 DFAA CC(=O)N1CCC(N2C[C@@](C)(c3ccccc3)CCC2=O)CC1 91694319 RVZQREKOZBCVJR-IBGZPJMESA-N 314.429 2.578 0 50 DFAA CCCN(CCOC)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 91807322 OHJZQIMTDCNASE-UHFFFAOYSA-N 305.353 2.714 0 50 DFAA Brc1cccc2ncc(I)n12 95836476 HFOYQYSQYCGGBV-UHFFFAOYSA-N 322.931 2.701 0 50 DFAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 91390923 IMIOADFJFZANDK-OAHLLOKOSA-N 313.401 2.937 0 50 DFAA CN(C[C@H]1CC1(C)C)C(=O)c1ccc(C(F)(F)F)c(O)n1 621045342 QSGCYCPMDRHGDY-MRVPVSSYSA-N 302.296 2.924 0 50 DFAA COc1ccc(CCCNC(=O)CCc2n[nH]c(C)c2C)cc1 97514979 RSJOFWJSVSQMDN-UHFFFAOYSA-N 315.417 2.717 0 50 DFAA CN(C)[C@@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F 91944003 ZQRPBBNGDZBVTC-MRXNPFEDSA-N 320.408 2.600 0 50 DFAA COCC1(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2C[C@@H](O)C2)CCC1 243892990 ANHWZIMZLYZGTR-IMJJTQAJSA-N 321.392 2.571 0 50 DFAA C[C@H](NCCn1ccnc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 182519098 YIBQDYZIDJFKKX-GJZGRUSLSA-N 322.453 2.651 0 50 DFAA CN(CCC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccon1 244873508 WRJQYTUNLHESRN-UHFFFAOYSA-N 311.744 2.928 0 50 DFAA CN(CCCOc1ccc(C(=O)O)cc1)Cc1cccc(O)c1 243932293 BUJNSSODENEQAA-UHFFFAOYSA-N 315.369 2.991 0 50 DFAA CCCn1c(C)nc2cc(NC(=O)CN3CCCC3)ccc21 823024288 QBHLEGPQEHXMBT-UHFFFAOYSA-N 300.406 2.789 0 50 DFAA CCc1nccn1CCC(=O)N1CC[C@@H]1c1cccc(OC)c1 823557566 UZSDQRHZDJPNDR-MRXNPFEDSA-N 313.401 2.818 0 50 DFAA CC1(C)C[C@@H](O)CCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 584892650 XEJLJLCDXJBYLV-LBPRGKRZSA-N 311.809 2.598 0 50 DFAA O=C(N[C@@H]1CCCOCC1)N[C@H](C1CCCC1)C(F)(F)F 185514262 QGVQNHYPUWETIB-VXGBXAGGSA-N 308.344 2.976 0 50 DFAA CC(C)(C)n1ncc2c(NCC3(CCO)CCC3)ncnc21 1875254970 VRPMEJPKJQSJCG-UHFFFAOYSA-N 303.410 2.546 0 50 DFAA C[C@@H]1CC2(CC[C@H]1NC1CC(C)(C)NC(C)(C)C1)OCCO2 1875298997 VNEDTUFCZDAMRF-UKRRQHHQSA-N 310.482 2.817 0 50 DFAA CCN1CCCC[C@H]1CN=c1cc(-c2ccccn2)nc(C)[nH]1 1875255390 SIFVUKOAJJTEHQ-HNNXBMFYSA-N 311.433 2.555 0 50 DFAA C1=CC[C@H](c2nc(-c3nc[nH]n3)nn2[C@H]2CCSC2)CC1 1875348522 UJMKTOJNIUZHSS-QWRGUYRKSA-N 302.407 2.565 0 50 DFAA COc1cncn(CC(=O)c2sc3ccccc3c2C)c1=O 1189875566 FFPNRASCEWGZHF-UHFFFAOYSA-N 314.366 2.658 0 50 DFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2cc(C)oc2C)cn1 275496343 VMVJRSFIQPROSZ-GOEBONIOSA-N 316.357 2.560 0 50 DFAA Cc1nnc(CN[C@H]2CCCC[C@H]2OCc2ccccc2)n1C 170085300 LPGZCFMRYUEVOG-DLBZAZTESA-N 314.433 2.741 0 50 DFAA CS(=O)(=O)CCN[C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 585086704 DUWOBUUCJUNBHW-ZFWWWQNUSA-N 315.866 2.685 0 50 DFAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2cc3c(nc2O)CCC[C@H]3O)C1 585122243 SLZSMKLDVJTSJO-KZTGVZKYSA-N 318.417 2.711 0 50 DFAA C[C@@H](c1nncn1C)N1CCC[C@@H](Cn2cnc3ccccc32)C1 585117914 BFJWHJSGYYTIFZ-LSDHHAIUSA-N 324.432 2.638 0 50 DFAA c1ccc(N[C@H]2CCN(c3cc(N4CCCC4)ncn3)C2)cc1 302883111 JHFBTSPQNCTKFP-INIZCTEOSA-N 309.417 2.768 0 50 DFAA Cc1ccc(C)c(NC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)c1 193849967 KSRWCUUUSSBLLV-HNNXBMFYSA-N 312.417 2.845 0 50 DFAA O=C1[C@H](N[C@H]2CCCn3nccc32)CCCN1C1CCCCC1 657986354 VYUSLWXQZYDLTL-JKSUJKDBSA-N 316.449 2.631 0 50 DFAA Cc1cc(C)n(C2CN([C@@H](C(=O)O)c3ccc(C)c(F)c3)C2)n1 1506421869 KJAIMNXGKOHTDI-MRXNPFEDSA-N 317.364 2.630 0 50 DFAA CC1=C(C(=O)N(Cc2ccccc2)CC(F)(F)F)OCCO1 1506419362 OPGLSGIZDULJTP-UHFFFAOYSA-N 315.291 2.856 0 50 DFAA CCOc1c(Br)cc(/C=C/C(=O)O)cc1OC 90939 OCNNTFKDKKGPHK-SNAWJCMRSA-N 301.136 2.954 0 50 DFAA CCc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)s1 1529168607 HNBYRBNNJKAIEX-FRRDWIJNSA-N 320.458 2.639 0 50 DFAA O=C(Nc1ccn(C2CCCCC2)n1)c1ccc(C(=O)O)nc1 1601624515 XLAIDVYFAWIZPT-UHFFFAOYSA-N 314.345 2.734 0 50 DFAA C[C@H]1CN(Cc2ccn3ncnc3c2)C[C@@H](c2ccsc2)O1 1615553605 XESBEHXGLIVKHU-WFASDCNBSA-N 314.414 2.753 0 50 DFAA CN1Cc2nnc(CCc3ccccc3)n2-c2ccccc2C1=O 1772805822 TYOYJKIFOWSBCK-UHFFFAOYSA-N 318.380 2.638 0 50 DFAA CC(=O)c1cnc(NCc2noc(-c3cccs3)n2)nc1C 1772705047 VLACUUXXXGIXRW-UHFFFAOYSA-N 315.358 2.711 0 50 DFAA COc1ccc(Cl)cc1C(=O)N1CC(=O)Nc2ccccc21 13005655 GHDXFDQEPFAWSR-UHFFFAOYSA-N 316.744 2.948 0 50 DFAA Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccn3)c2C)c1 16623423 ROGKMFCZZGUBAO-UHFFFAOYSA-N 321.384 2.518 0 50 DFAA Fc1cccc(CCN2CCCC[C@@H]2CCN2CCOCC2)c1 19146142 YQKPHQNNEBLYSN-LJQANCHMSA-N 320.452 2.945 0 50 DFAA CC(C)c1nc(-c2nccn2[C@@H](Cc2ccccc2)C(N)=O)co1 1857690900 UDFSJXDDBHVMQV-HNNXBMFYSA-N 324.384 2.931 0 50 DFAA O=C(Nc1nc2c(s1)-c1ccccc1CC2)[C@@H]1CCOC1 1875251260 UGARQDRQYQFZRN-LLVKDONJSA-N 300.383 2.884 0 50 DFAA CC1CCN(C(=O)[C@H](C)Sc2n[nH]c(C(C)(C)C)n2)CC1 408011493 XHFAPNGFYAXPRK-NSHDSACASA-N 310.467 2.841 0 50 DFAA O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)O)OCc1ccccc1 2561190 YJSNXFAVHKHBPV-HNNXBMFYSA-N 317.316 2.748 0 50 DFAA in-vitro CC(C)=C[C@@H]1[C@H](C(=O)NCCc2c(C)nn(C)c2C)C1(C)C 122110400 RZRGSENENFONPT-HZPDHXFCSA-N 303.450 2.934 0 50 DFAA C[C@@H](C(=O)NCc1cccc(OCC(=O)O)c1)c1cccs1 237476607 NSGYGVLZLQTGIG-LLVKDONJSA-N 319.382 2.631 0 50 DFAA C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C1CC1)C(=O)O 237610842 OTXDFXGBKZAELA-OWYVNGRQSA-N 323.339 2.780 0 50 DFAA COc1ccc(C2(C(=O)N3C[C@H](C)[C@@](O)(C(C)C)C3)CC2)cc1 248147280 AAKGZWVPJFDXST-LIRRHRJNSA-N 317.429 2.592 0 50 DFAA COc1ccc(CC(=O)N[C@H]2COc3cccc(Cl)c32)nc1 365682111 URGMEQBSPAHCII-ZDUSSCGKSA-N 318.760 2.536 0 50 DFAA Cc1cnc(CN2CCNC[C@@H]2c2cccc(Cl)c2)cn1 261683228 KDSHIBQYFRDZFO-MRXNPFEDSA-N 302.809 2.585 0 50 DFAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1cc(C2CC2)no1 263102232 IYVFLROIPTXUTE-UHFFFAOYSA-N 316.313 2.576 0 50 DFAA Cc1cc(CN(C)C(=O)c2ncc(Br)cc2C)no1 1857531663 RBNPVDHFAAVBLL-UHFFFAOYSA-N 324.178 2.721 0 50 DFAA Cn1nccc1CCNC(=O)Nc1ccc(-c2ccccn2)cc1 810333110 OODJZBAOMHDEHE-UHFFFAOYSA-N 321.384 2.846 0 50 DFAA CCCN(CCC)C(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 202695 PCSKXAUYICVDHF-DYVFJYSZSA-N 311.422 2.526 0 50 DFAA biogenic COc1cc2c(cc1OC)[C@@H](c1ccccn1)N(C(C)=O)CC2 207124 XWTHHVZAFRUUTI-SFHVURJKSA-N 312.369 2.593 0 50 DFAA CC(C)c1cc(-c2nc(-c3cnc4cnccn34)no2)cc(O)n1 350942346 UDLOWTOAROAPJW-UHFFFAOYSA-N 322.328 2.670 0 50 DFAA O=C(O)CCC(=O)CCC(=O)c1ccc(Br)cc1 2483135 QUWWDXXCUIFCCD-UHFFFAOYSA-N 313.147 2.846 0 50 DFAA CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1OC 2992810 OAVLBPFVCBIOOJ-CYBMUJFWSA-N 306.406 2.966 0 50 DFAA CC(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 3196521 HBGYOKOCPHASLN-UHFFFAOYSA-N 301.186 2.957 0 50 DFAA CCOC(=O)c1ccccc1NC(=O)CC[C@@H](C(=O)O)C(C)C 4828806 ZQPVDHCXKIUYIN-GFCCVEGCSA-N 321.373 2.939 0 50 DFAA CCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O 4999298 NYERDDXCFCAENY-UHFFFAOYSA-N 314.772 2.885 0 50 DFAA O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(Cc2ncccn2)C1 343692499 UCFSGALJCUKYPG-SMDDNHRTSA-N 323.318 2.803 0 50 DFAA C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(F)c(Cl)c1 7857880 YACBNMYRADDNII-SSDOTTSWSA-N 314.773 2.727 0 50 DFAA CCS(=O)(=O)c1ccccc1N(C)Cc1nc(C)cs1 225519021 GIEUBUSTLIXYGB-UHFFFAOYSA-N 310.444 2.882 0 50 DFAA COc1cnccc1-c1noc(CCCc2ncc(C)o2)n1 351116411 VRVWHWNHXKRWFS-UHFFFAOYSA-N 300.318 2.612 0 50 DFAA CN1CCC[C@@H](CNC(=O)c2ccon2)[C@H]1c1cccs1 247506379 VHNIEWPOCZHXNQ-FZMZJTMJSA-N 305.403 2.549 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1 248135195 OJHKAGGSIOJPMU-DLBZAZTESA-N 324.428 2.776 0 50 DFAA Cc1ccc(CN2CCN(C(=O)CCC3CC3)[C@@H](C)C2=O)cc1 55307352 XYNPMPWLPYVHRW-HNNXBMFYSA-N 314.429 2.745 0 50 DFAA Fc1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 20534266 LLSICMHTCZXWCC-UHFFFAOYSA-N 324.403 2.791 0 50 DFAA CCN(Cc1ccncc1)c1cc([C@@H]2CCCNC2)nc(C)n1 67850179 CNVWRAZVZSCIKW-MRXNPFEDSA-N 311.433 2.674 0 50 DFAA CC(C)N1C[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 117720168 UETRPBYQAHKAOM-AWEZNQCLSA-N 318.442 2.621 0 50 DFAA COc1ccc(S(=O)(=O)N2CCCC(C)(C)C2)cc1F 20107273 DMOUBUHGKSBMLW-UHFFFAOYSA-N 301.383 2.645 0 50 DFAA c1cnc2c(c1)cnn2-c1ccc(OCCN2CCCC2)cc1 65380343 VWCYISHGRDAFMA-UHFFFAOYSA-N 308.385 2.895 0 50 DFAA CSc1nccc(N2Cc3cnc(CC(C)C)nc3C2)n1 67723900 HNQKYNMAPMOUKJ-UHFFFAOYSA-N 301.419 2.707 0 50 DFAA O=C(C[C@H]1CCCCC(O)=N1)N1CC[C@H](CN2CCCCC2)C1 328806800 MAFCQHQFWKCIEI-HZPDHXFCSA-N 321.465 2.610 0 50 DFAA Cn1cc(-c2csc(CNc3ccn(CC(F)F)n3)n2)cn1 252549493 RJIDOFNGXRCIDR-UHFFFAOYSA-N 324.360 2.617 0 50 DFAA C[C@H]1C[C@@H](CO)CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 354251248 IEDDPOVJZLUSOZ-STQMWFEESA-N 319.449 2.749 0 50 DFAA CC(=O)N[C@@H]1CN(c2nccs2)C[C@H]1c1ccc(C)cc1 77471835 VVSIFQXDQDSYRH-LSDHHAIUSA-N 301.415 2.560 0 50 DFAA CN(C(=O)c1cc2c(s1)CCOC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 123271984 IVZDSGWTAAOPMD-GLQYFDAESA-N 321.442 2.706 0 50 DFAA COc1ccccc1N1CCC(N(C)Cc2ncc[nH]2)CC1 65460843 GVCZWQMQTCSXMM-UHFFFAOYSA-N 300.406 2.519 0 50 DFAA Cc1ccc(CNC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33089024 FBFNJHXNEFIJHH-UHFFFAOYSA-N 318.376 2.796 0 50 DFAA Cc1cccc(OC2(C(=O)O)CCN(c3nccs3)CC2)c1 72478140 QJFJIPDQRITWAC-UHFFFAOYSA-N 318.398 2.954 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)o1 229917162 XRVVKDIJLLZAFF-VDERGJSUSA-N 304.434 2.744 0 50 DFAA O=C(CC1CCCC1)NCC1CCN(c2ccncc2)CC1 70928321 AMQGXYNJVGRBEB-UHFFFAOYSA-N 301.434 2.995 0 50 DFAA CCc1nnc(CN2CCN(c3cccc(Cl)c3)C[C@@H]2C)o1 328595968 LZLNDSURAONVTK-LBPRGKRZSA-N 320.824 2.996 0 50 DFAA CC[C@@](NC(=O)Cc1cccc(F)c1)(C(=O)O)c1ccccc1 362345829 IPAXYTJVINVGEG-SFHVURJKSA-N 315.344 2.875 0 50 DFAA Cc1nc([C@@H]2CN(C(=O)C[C@H]3CCCC(C)(C)C3)CCO2)no1 329518204 DXWHGVWJBZYIDC-KGLIPLIRSA-N 321.421 2.884 0 50 DFAA O=C(O)CCCC(=O)NCC1(N2CCCCC2)CCCCC1 314409407 AYSBRCJBRPIUAX-UHFFFAOYSA-N 310.438 2.546 0 50 DFAA CCN(CCN(C)C)C(=O)c1cc(C)nc2cc(F)ccc12 72440792 OOXSEAKIYPNAEV-UHFFFAOYSA-N 303.381 2.706 0 50 DFAA CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(C)s1 372443118 HDJJFVYYNKBFHA-INIZCTEOSA-N 300.427 2.729 0 50 DFAA CCc1occc1C(=O)N1CC(C)(C)O[C@]2(CCCOC2)C1 374015937 AAYNRRFLTZGQPC-QGZVFWFLSA-N 307.390 2.642 0 50 DFAA C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1nc(-c2ccccc2)cs1 262390081 KHVGCGGKAXLGHL-DLOVCJGASA-N 316.382 2.708 0 50 DFAA C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCc2nn[nH]c2C1 332584461 JEISXOLCWKWYNP-PWSUYJOCSA-N 318.808 2.783 0 50 DFAA C[C@]1(C(=O)N2CCCN(Cc3cccs3)CC2)CCCCO1 77354760 PMFNDFLDMJYIQK-QGZVFWFLSA-N 322.474 2.742 0 50 DFAA O=C(CN1CCC[C@@H]1/C=C/c1cccs1)NCC(F)(F)F 375173295 AHXZJDGZDRLNRH-MVIFTORASA-N 318.364 2.904 0 50 DFAA Cc1ccc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nn1 72168015 JZFBOUDNJHQXSY-DFQSSKMNSA-N 320.440 2.852 0 50 DFAA C[C@H](CC[S@](C)=O)NC(=O)c1ccc(Cl)c2cccnc12 610493282 CPQAOWPAVDFYSF-UZJPJQLHSA-N 324.833 2.775 0 50 DFAA CC1(C)[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCO[C@H]21 245289816 FHLGBJCSTPTNJW-BQGCOEIASA-N 322.399 2.947 0 50 DFAA CCn1ncnc1[C@@H](NC(=O)c1ccccc1SC)C1CC1 223535603 PPFHHBILZBYZEN-AWEZNQCLSA-N 316.430 2.901 0 50 DFAA C[C@H](NC(=O)c1cc(C2CC2)on1)c1cn(-c2ccccc2)nn1 177980828 JJHMMDFPFOCUGO-NSHDSACASA-N 323.356 2.624 0 50 DFAA O=C(CCCc1ccccc1)N1CCN(c2ccccc2)C(=O)C1 82098305 GQVKPZQUSUIFOU-UHFFFAOYSA-N 322.408 2.885 0 50 DFAA O=C(NCCN1CCC[C@@H](c2ccccc2)C1)N1CCCC1 426652925 MJTGVLFZWVXEPK-QGZVFWFLSA-N 301.434 2.671 0 50 DFAA Cc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc(C(C)C)n1 426487811 ASEXWRZCEOYSRF-UHFFFAOYSA-N 319.430 2.826 0 50 DFAA COc1cc(C(=O)N2CC[C@@H](n3cccn3)C2)ccc1Cl 293267309 LLNKTRVEPMZWRC-GFCCVEGCSA-N 305.765 2.632 0 50 DFAA O=C(O)C[C@@H]1COCCN1Cc1ccc(Cl)cc1Cl 97506083 GKNZYUOEHXIWQS-LLVKDONJSA-N 304.173 2.669 0 50 DFAA COCC[C@@]1(CO)CCCN(C/C=C/c2ccccc2OC)C1 91724878 KQAPLPPTOIOSIP-MEQKGCOVSA-N 319.445 2.819 0 50 DFAA CCOc1ccccc1CNC(=O)c1cc(CC(C)C)nn1C 91586725 JXIWNCJPNYWQNB-UHFFFAOYSA-N 315.417 2.947 0 50 DFAA N[C@H]1CN(C(=O)CCCc2ccc(Cl)cc2)C[C@@H]1C1CC1 91694917 SDVQEWPUCSIDDV-CVEARBPZSA-N 306.837 2.858 0 50 DFAA Cc1ccc(OC2CN(CCC(=O)NC3CCCCC3)C2)cc1 244882456 XSBNZKUFCPKITO-UHFFFAOYSA-N 316.445 2.897 0 50 DFAA Cc1nc(CC(=O)NCCCn2nccc2C2CC2)c(C)s1 244787615 QAIPDUDDPVMTIA-UHFFFAOYSA-N 318.446 2.583 0 50 DFAA Cc1nc(CCN2CC[C@](O)(c3ccccc3C)C2)cs1 252509880 YXJZPOABOXNOTN-QGZVFWFLSA-N 302.443 2.896 0 50 DFAA CCCn1ncnc1[C@H](C)NC(=O)c1ccccc1OCC 534667771 SFLCYHLDHDZVHT-LBPRGKRZSA-N 302.378 2.578 0 50 DFAA CCc1nc(C)c(C(=O)NCCCn2ccnc2C(C)C)o1 299793814 ILKBLGLVVXMTRP-UHFFFAOYSA-N 304.394 2.685 0 50 DFAA Cc1n[nH]c(C)c1CCN1CCC[C@@H](OCc2ccccn2)C1 299779136 JUWMRKAXKWWNCZ-QGZVFWFLSA-N 314.433 2.645 0 50 DFAA O=C(NCc1cccc(C(F)(F)F)c1)N1CCC[C@H](CO)C1 298653792 NUMKQLKGYJWIPC-LBPRGKRZSA-N 316.323 2.619 0 50 DFAA CN1CCCC[C@@H]1CNC(=O)CC1CC(C)(C)NC(C)(C)C1 827801844 NLYBDZKSDNCVFM-OAHLLOKOSA-N 309.498 2.534 0 50 DFAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccncc1Cl 584894524 ACAXXDGQTJAPMA-CQSZACIVSA-N 315.804 2.522 0 50 DFAA O=C(Cc1ccncc1)NC1(CN2CCCCC2)CCCCC1 828004527 XZHNSXWQAVVYAE-UHFFFAOYSA-N 315.461 2.929 0 50 DFAA CCc1nnc(Cn2cnc3sc(C)c(CC)c3c2=O)s1 584901074 FCJDZTYIMZOLNB-UHFFFAOYSA-N 320.443 2.791 0 50 DFAA CCOc1ccc(CN2CC[C@H](C(C)(C)O)C2)cc1CN(C)C 670438206 CGEPVHNJSDTRIV-KRWDZBQOSA-N 320.477 2.740 0 50 DFAA CCC1CN(C(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)C1 1875270057 GFSNIUUTVQHHGA-UHFFFAOYSA-N 305.378 2.911 0 50 DFAA CC(C)c1nc(-c2cc(Br)cn3ncnc23)no1 1875275706 XOHNZOZYELMKGS-UHFFFAOYSA-N 308.139 2.665 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)NCc3[nH]c(C)nc3C)cc2)n1 1456037431 UHBZLRNWEJNGQC-UHFFFAOYSA-N 323.400 2.759 0 50 DFAA CCCn1cc(CNC(=O)CSc2cccc(OC)c2)cn1 952869144 XRAJYCWVJNDDRQ-UHFFFAOYSA-N 319.430 2.710 0 50 DFAA CC(=O)c1cc2c(cc1NC(=O)[C@@H]1CC=CCC1)OCCO2 952868740 SNSVDELZQFVSKA-GFCCVEGCSA-N 301.342 2.955 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1 952964666 BCJXCCOIYKHEGE-UHFFFAOYSA-N 317.433 2.638 0 50 DFAA CC1(C)CCC(=CC(=O)NC[C@H](C(=O)O)C2CCOCC2)CC1 888093662 JVJMEJIIUYFDJL-HNNXBMFYSA-N 323.433 2.757 0 50 DFAA Cn1nc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)cc1O 888906244 ZYLNKFLBKLMIQV-GJZGRUSLSA-N 313.401 2.972 0 50 DFAA CC(C)C[C@@](C)(CC(=O)O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 899850374 FYQJLWGRTBCYCM-VTPHTMIKSA-N 311.422 2.587 0 50 DFAA Cc1nocc1CN1CCCN(c2ncc(Cl)cc2F)CC1 1776008151 DJTDEBMVRQJZBC-UHFFFAOYSA-N 324.787 2.883 0 50 DFAA CC1(C)Cc2cc(CNC(=O)[C@@H]3CC[C@H](C(=O)O)C3)ccc2O1 1565529546 ZJKTXSJGMSQOPT-OLZOCXBDSA-N 317.385 2.517 0 50 DFAA Cc1ncc(C(=O)O)cc1C(=O)N[C@H](C)Cc1ccsc1 630110842 HRAPNAUVRVJIGQ-SECBINFHSA-N 304.371 2.511 0 50 DFAA C[C@@H]1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 271837269 FXSFTMASZCZFAO-WBVHZDCISA-N 316.445 2.582 0 50 DFAA C[C@H](c1ccccc1)S(=O)(=O)NC(=O)C1CC2(CCC2)C1 408504859 ZKPNFOJNVASHSJ-GFCCVEGCSA-N 307.415 2.774 0 50 DFAA Cc1ccc([C@@H]2C[C@@H](C)N(CC3(CS(C)(=O)=O)CC3)C2)cc1 408514825 XDPLQOKYYYQEOA-NVXWUHKLSA-N 321.486 2.998 0 50 DFAA C[C@H]1CCC[C@@H](OCC(=O)Nc2cn(C)nc2C(F)(F)F)C1 170052639 KGDOHYJNBDWYSP-VHSXEESVSA-N 319.327 2.973 0 50 DFAA C[C@@H]1[C@H](O)CCCN1CCc1nc(-c2cccc(Cl)c2)no1 411807701 RNADJNSREJGBSN-BXUZGUMPSA-N 321.808 2.778 0 50 DFAA Cc1nc2ccccc2n1CCSc1ncnc2[nH]cnc12 170591298 ZXHXXZAHYYTNTK-UHFFFAOYSA-N 310.386 2.803 0 50 DFAA CC(C)N(C)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 190724855 FUYDHIDUHPIBIG-CHWSQXEVSA-N 313.442 2.776 0 50 DFAA CC(C)[C@H](NC(=O)c1ccoc1C1CC1)[C@H](O)C(F)(F)F 646113604 GLOBVQABPHSIGV-JQWIXIFHSA-N 305.296 2.835 0 50 DFAA COC[C@@H]1CCN(c2nc(Nc3ccccc3)c3nc[nH]c3n2)C1 663646093 HONLXJPQSVSFET-GFCCVEGCSA-N 324.388 2.569 0 50 DFAA O=C(C[C@H]1CCNC1)N(Cc1ccccc1)CC(F)(F)F 89744029 FVKIIWXBEDPOHV-CYBMUJFWSA-N 300.324 2.577 0 50 DFAA c1ccc(-c2noc(CNc3cnc4ccccc4n3)n2)nc1 1506414241 WYGKTBICEYNJLM-UHFFFAOYSA-N 304.313 2.687 0 50 DFAA OC1(c2cccnc2)CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506403120 RNDPCGFQYDOLMW-IBGZPJMESA-N 323.440 2.644 0 50 DFAA CC(=O)N[C@H]1CN(c2ncccc2Cl)C[C@@H]1c1ccc(C)o1 212075570 AQAICGOCPRXGSK-JSGCOSHPSA-N 319.792 2.745 0 50 DFAA Cc1cccc(N2CC[C@@H](CNc3nccnc3N(C)C)C2)c1 1704297698 CUSURFHYANWZBS-HNNXBMFYSA-N 311.433 2.789 0 50 DFAA Cc1ncc2c(n1)CCN(Cn1ccc(-c3ccc(F)cc3)n1)C2 1616016605 XZZDXOMGOLCSJO-UHFFFAOYSA-N 323.375 2.803 0 50 DFAA Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccn1 2427830 ZCPQYTKYTCLLAN-RMKNXTFCSA-N 309.398 2.859 0 50 DFAA CC[C@@H](C(=O)O)N(C)C(=O)c1ccc(C)cc1Br 163610980 DYMNTJOHDVADPF-NSHDSACASA-N 314.179 2.693 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(C(F)(F)F)cc1 1772709154 ICSUGIFVWZPRSQ-BXUZGUMPSA-N 312.335 2.901 0 50 DFAA O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(C2CCCC2)C1 11718177 DVXVMFBJUWEVFW-CQSZACIVSA-N 318.392 2.623 0 50 DFAA COc1cc(C)c(NC(=O)Cn2cccn2)cc1C(F)(F)F 1645822267 MLGQJIRBAJNKEH-UHFFFAOYSA-N 313.279 2.858 0 50 DFAA CCC[C@@]1(CO)CN(CCOc2cccc(C)c2C)CC[C@H]1O 1857718830 VDXNMCXBVPQKFK-MOPGFXCFSA-N 321.461 2.528 0 50 DFAA CCN1CC[C@@H](n2ccnc2-c2cccc(OC)c2OC)C1 1857727758 YXLMSHKGSKSMPS-CYBMUJFWSA-N 301.390 2.834 0 50 DFAA CCC[C@@]1(CO)CN(Cc2ccc(Cl)c(F)c2)CC[C@H]1O 1857737313 HCQGPHJKYROWNL-CVEARBPZSA-N 315.816 2.825 0 50 DFAA COc1ccc(-c2csc3ncn(CC(C)=O)c(=O)c23)cc1 98554 DGQHNXAXRCWOJJ-UHFFFAOYSA-N 314.366 2.723 0 50 DFAA COc1cc(OC)c([C@H](C)NCCc2cn(C)cn2)cc1Cl 414144662 NDKHSGYLPNVVIL-NSHDSACASA-N 323.824 2.984 0 50 DFAA CC(C)(C(=O)NCc1ccc(C(=O)O)cc1)[C@H]1CCCCO1 630096043 CQPCEQQXMYVEJU-CQSZACIVSA-N 305.374 2.596 0 50 DFAA CCn1cnnc1[C@@H]1CN(Cc2cc3ccccc3o2)CCO1 328625149 CUNHZFGNYGHXPX-INIZCTEOSA-N 312.373 2.618 0 50 DFAA C[C@](NC(=O)c1ccnc(C2CC2)c1)(C(=O)O)c1ccccc1 663142201 TVOXYEVEXLCQDL-GOSISDBHSA-N 310.353 2.689 0 50 DFAA CC(C)c1nocc1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 902017288 PQYWFNWURCJILQ-TZMCWYRMSA-N 314.341 2.841 0 50 DFAA Cn1nc2c(c1C(=O)N(Cc1ccco1)c1ccccn1)CCC2 902571765 NZRQZGMZFWUHBI-UHFFFAOYSA-N 322.368 2.744 0 50 DFAA Cc1cc(NCc2ccc3ncn(C(C)C)c3c2)nc(CO)n1 1262704929 QDJFEAWNSLRKBQ-UHFFFAOYSA-N 311.389 2.820 0 50 DFAA COc1nscc1NC(=O)N[C@H]1CCc2c(O)cccc21 1467229931 YJZQYBRCAXODPU-JTQLQIEISA-N 305.359 2.666 0 50 DFAA CCc1cc(=NCc2cnc(-c3ccncc3)s2)[nH]c(C)n1 2325764985 APTVNVFQTIWSHZ-UHFFFAOYSA-N 311.414 2.900 0 50 DFAA C[C@](O)(CNCc1ccc2c(c1)CCCC2)[C@@H]1CCCOC1 2325788979 XMGXGRJCJIFWET-MOPGFXCFSA-N 303.446 2.833 0 50 DFAA CC[C@]12C[C@H]1CN(C(=O)c1nn(-c3cccc(F)c3)cc1O)C2 2325791407 WECIGDGJKJRUFK-APPDUMDISA-N 315.348 2.589 0 50 DFAA CCc1cc(Br)ccc1NC(=S)NCCOC 2809099 RVIZNZNCEJAJKH-UHFFFAOYSA-N 317.252 2.944 0 50 DFAA COCCOc1ccc(C(=S)N2CCCCC2)cc1OC 2845689 FBLSWLSACFAKHM-UHFFFAOYSA-N 309.431 2.882 0 50 DFAA CC(=O)NC1CCC(Nc2ccccc2O[C@H]2CCOC2)CC1 133848730 BKDMIUMZGYMGSX-GPANFISMSA-N 318.417 2.714 0 50 DFAA COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)O)c1 4755472 DAFMDUJRQKTUPF-NSHDSACASA-N 315.325 2.799 0 50 DFAA Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2F)cc1 6704060 CNOZQKCEQYSLCV-UHFFFAOYSA-N 307.346 2.547 0 50 DFAA COc1ncccc1N(C)C(=O)c1ccoc1Br 225562010 YNBMWAUHVGVTHN-UHFFFAOYSA-N 311.135 2.722 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ncc(F)cc2F)c1 55042365 JMKIGSMQGFPPMM-NSHDSACASA-N 305.328 2.766 0 50 DFAA Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccco2)n1 247952468 YRJZMKISUBDZQK-XHSDSOJGSA-N 313.401 2.888 0 50 DFAA c1ccc(Cc2nccc(N3CCC([C@H]4CCNC4)CC3)n2)cc1 420263999 UDQVNBPJWZMNPJ-SFHVURJKSA-N 322.456 2.893 0 50 DFAA CCC[C@@H](C)c1nnc(NC(=O)c2cc(C)[nH]c(=O)c2)s1 55212112 VKDGENZCQGZHQL-MRVPVSSYSA-N 306.391 2.691 0 50 DFAA CC[C@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 420819427 LQWKXSUWWSLGJW-AJNGGQMLSA-N 309.454 2.546 0 50 DFAA CSc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100796845 SADRDJJOMWZIJH-NUZBWSBOSA-N 303.383 2.870 0 50 DFAA CC(C)CN1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO 20231773 BPVDFJMEFUTYIS-KRWDZBQOSA-N 315.461 2.693 0 50 DFAA O=C(CCc1cncnc1)Nc1ccc(Nc2ncccn2)cc1 351113307 YKKBEIKGRDIBPQ-UHFFFAOYSA-N 320.356 2.582 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 139576430 FBQBHJKVANQDPG-QGZVFWFLSA-N 309.365 2.972 0 50 DFAA Cc1ccccc1-c1ncc(CN[C@@H]2C=CS(=O)(=O)C2)s1 65435700 PTOJFCIAUAZVDE-GFCCVEGCSA-N 320.439 2.519 0 50 DFAA Cc1cc(CNC(=O)COc2ccc(Cl)cc2Cl)on1 65725763 ODIYKRMPEQXLCV-UHFFFAOYSA-N 315.156 2.985 0 50 DFAA Cc1ccc(Cl)c(C(=O)N[C@@H](C(=O)O)c2c(C)n[nH]c2C)c1 67490987 TUOHWVSDORFUCC-CYBMUJFWSA-N 321.764 2.544 0 50 DFAA CCc1oc(C(=O)N(C)C[C@@H]2CCn3ccnc3C2)cc1C 328638857 WPXWWJHXYKYKMK-CYBMUJFWSA-N 301.390 2.682 0 50 DFAA Cc1nc(-c2cc3cccc(C)c3nc2N2CCN(C)CC2)no1 33318152 KWJZIIYYLSOLNE-UHFFFAOYSA-N 323.400 2.653 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@H]2c2ccccc2)no1 363111696 QLBRYLDPNWFMGJ-ZNMIVQPWSA-N 312.373 2.781 0 50 DFAA COc1ccc([C@H](C)C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237231571 FTBZUQRSAMRFKZ-KBPBESRZSA-N 319.401 2.902 0 50 DFAA Cn1c(CN2CC(N3CCCCC3)C2)cc2cc(F)ccc21 215211451 BFFMYNYXQLBFQL-UHFFFAOYSA-N 301.409 2.988 0 50 DFAA CC(C)c1ncc(Cl)c(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)n1 378228893 FJIPQSBICXPZPJ-NWDGAFQWSA-N 323.824 2.752 0 50 DFAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1c(C)nn(C)c1C 283814924 SCPRVCRZHVPKLD-AWEZNQCLSA-N 315.421 2.621 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 72149474 CWIJLKNROUPUDT-MRXNPFEDSA-N 313.401 2.718 0 50 DFAA Cc1ccc(OC2CCN(CCCN3CCOCC3)CC2)cc1 173762040 AUIOMIQQYCPFHG-UHFFFAOYSA-N 318.461 2.561 0 50 DFAA CCC[C@](C)(N)C(=O)NCCc1nc2ccccc2n1C(C)C 262693014 BCOJZPGCKPRCKY-SFHVURJKSA-N 316.449 2.793 0 50 DFAA CCNC(=O)C1(NC(=O)C[C@@H](C)c2ccc(F)cc2)CCCC1 240551417 GTNKDSOYYGQEJF-CYBMUJFWSA-N 320.408 2.884 0 50 DFAA O=C(O)C[C@@](O)(c1ccc(Br)cc1)c1ccccn1 71769313 WRPPBEDRJWGRGW-CQSZACIVSA-N 322.158 2.555 0 50 DFAA O=C(CCn1cncn1)N1CCCC[C@H]1c1ccc(F)cc1 77486489 NULKZAHWSRZKLP-HNNXBMFYSA-N 302.353 2.561 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc2ccccc2o1 284776439 XVSTYTYBFVMMEF-IXDOHACOSA-N 301.386 2.795 0 50 DFAA O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 176124087 OSGMPAMXVHQRDV-JSGCOSHPSA-N 302.374 2.916 0 50 DFAA Clc1ccccc1CCNc1cc([C@H]2CCOC2)ncn1 426517755 BIFIFFSGMDCZQK-ZDUSSCGKSA-N 303.793 3.289 0 50 DFAA CN(CCCO)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 426519017 UJSMETBESLDXAT-UHFFFAOYSA-N 313.353 2.537 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N[C@H](C)Cn1nc(C)cc1C 220710996 GAYDHCPMXMBOLL-SNVBAGLBSA-N 323.343 2.605 0 50 DFAA CN1CCC[C@@H]1CCNC(=O)Nc1cccc(-c2cnc[nH]2)c1 426700121 XPOACDRXAUPKNL-OAHLLOKOSA-N 313.405 2.683 0 50 DFAA O=C1C[C@]2(CCN(Cc3cccc(-c4ccccc4)c3)C2)C(=O)N1 82147182 KBPBLALEXROREA-FQEVSTJZSA-N 320.392 2.592 0 50 DFAA Cc1ccc(CCNC(=O)N2CCN(CC3CCC3)CC2)cc1 426370191 AXNOVDJWWYWFRG-UHFFFAOYSA-N 315.461 2.665 0 50 DFAA CC1(C)CCC(CC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 178851527 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823557193 FYDKJSMPDUXION-HNNXBMFYSA-N 301.365 2.948 0 50 DFAA CC[C@@H](NC(=O)N(C)CCN1CCCCCC1)c1ncc(C)[nH]1 584892477 CLDQYEOEXOQONV-OAHLLOKOSA-N 321.469 2.687 0 50 DFAA CCOC(=O)N1CCC(NCCc2nc3ccccc3o2)CC1 584894864 WEQLEMMROIAQLA-UHFFFAOYSA-N 317.389 2.581 0 50 DFAA CCc1cccc2c1O[C@@]1(COC)C[C@H]2NC(=O)N1C1CC1 1875319906 XTDYDVSWLZSVGB-RHSMWYFYSA-N 302.374 2.603 0 50 DFAA CCc1nc(C)c(C(=O)N=[S@](C)(=O)c2ccc(F)cc2)o1 952878787 ITTRVDLQVNYLIS-OAQYLSRUSA-N 310.350 2.982 0 50 DFAA Cn1c(O)nc(NC[C@H](c2ccc(Cl)cc2)C2CC2)cc1=O 1875275783 NDDXJFGWJIQUDC-ZDUSSCGKSA-N 319.792 2.745 0 50 DFAA O=C(O)COc1ccc(C(=O)N[C@H]2CCC=CCCC2)cc1 1875272645 BSSUVBGJNMBDBJ-AWEZNQCLSA-N 303.358 2.769 0 50 DFAA COc1cc2c(c3oc(=O)c4c(c13)CCC4)[C@H](O)CC(C)(C)O2 951727071 YHVIEZDWLWBEOD-LLVKDONJSA-N 316.353 2.885 0 50 DFAA Cc1noc(C)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 952972767 JCCUNYVOUQITAU-HNNXBMFYSA-N 315.373 2.508 0 50 DFAA O=C(c1ccccn1)[C@H]1CCCN(C2CSCCSC2)C1 952872043 HIUZZTLCZUCULK-ZDUSSCGKSA-N 322.499 2.825 0 50 DFAA Cc1cc2c(N[C@H]3CCOC[C@@H]3OCC3CC3)ncnc2s1 1565513565 ZEVCOQNATPULNW-KBPBESRZSA-N 319.430 2.996 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)ccc1OC(F)(F)F 630172291 DGLNDKMUQCMWBH-SNVBAGLBSA-N 317.263 2.583 0 50 DFAA Cc1cc(-n2cccn2)ccc1CNC(=O)OCC(F)(F)F 1475753730 FXRSWHQMFRYOBM-UHFFFAOYSA-N 313.279 2.969 0 50 DFAA Cc1nc(C(=O)NCCc2coc(-c3ccccc3)n2)c(C)o1 1324490542 FZNAFHILSIHWSD-UHFFFAOYSA-N 311.341 2.919 0 50 DFAA CC(C)(C)c1cnc(CN2C[C@H](CO)Oc3ccccc32)o1 675306157 HDYQJBDOMSXGTM-GFCCVEGCSA-N 302.374 2.732 0 50 DFAA CC(C)C1(CNC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)CC1 276532274 DODCUEHMEHWFFH-LSDHHAIUSA-N 303.406 2.647 0 50 DFAA Cc1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1F 170592441 VKXWFBPKEGOOLZ-MRXNPFEDSA-N 312.344 2.797 0 50 DFAA Cc1cc(C(=O)NCc2cccnc2N2CCCCC2)ns1 585079517 WPDUZJMYOKMFJB-UHFFFAOYSA-N 316.430 2.767 0 50 DFAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)C1 585122244 SLZSMKLDVJTSJO-LGSVPQMISA-N 318.417 2.711 0 50 DFAA Cc1nc(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c(C)o1 645958823 PBKSDBVCUZCCDL-GOEBONIOSA-N 300.358 2.799 0 50 DFAA CO[C@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)CC[C@H]1C 192620706 XATAUXGIZAWDON-PELKAZGASA-N 301.745 2.682 0 50 DFAA C[C@@](CNC(=O)c1ccc2[nH]ccc2c1)(C(=O)O)c1ccccc1 193087179 LBDJCVSCQHGRMY-IBGZPJMESA-N 322.364 2.940 0 50 DFAA O=C(O)c1cccc(N2CCC(OCc3ccccc3)CC2)n1 95377842 YMYLPYMAMZRDPN-UHFFFAOYSA-N 312.369 2.965 0 50 DFAA Cc1ccc([C@H](C(=O)O)N(C)Cc2nncn2C(C)C)cc1F 1506409679 ZFNVESDEPYTIKD-OAHLLOKOSA-N 320.368 2.564 0 50 DFAA Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)o1 440904 SYXFWQUCIZYPHM-UKTHLTGXSA-N 310.309 2.563 0 50 DFAA COc1cc(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2O3)cc2c1OCO2 1772817027 FLAXNLAXFWZDAV-YNEHKIRRSA-N 314.341 2.780 0 50 DFAA CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1 5633353 IAVPTJMDULLLRT-INIZCTEOSA-N 318.417 2.996 0 50 DFAA COc1cccc(-n2nnc(C(=O)Nc3ccccc3)c2C)c1 11690174 ISESBPWAORFQTJ-UHFFFAOYSA-N 308.341 2.837 0 50 DFAA COC(=O)[C@@H]1[C@H](c2ccccc2)N(c2ccccc2)O[C@@]1(C)O 12384069 GUSLDSYZKXDXLB-XYJFISCASA-N 313.353 2.677 0 50 DFAA O=C1C[C@H](NCc2ccoc2)CN1CCc1cccc(Cl)c1 12612865 FYLPSGVHHJTFRS-INIZCTEOSA-N 318.804 2.866 0 50 DFAA COCC(=O)Nc1ccccc1Oc1ccsc1C(=O)OC 12951221 SJCMQKAARLDMLO-UHFFFAOYSA-N 321.354 2.912 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)c(C)c1 15465894 RQRMJBCAHUOEMB-HNNXBMFYSA-N 300.402 2.669 0 50 DFAA Cc1cccc(NC(=O)CNC(=O)c2cccc(F)c2)c1C 15535547 ROPZSGGSWGEAFH-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA Cn1nc(NC(=O)c2noc3c2CCCC3)cc1C(F)(F)F 1650587963 GWUUPYFGCILYHN-UHFFFAOYSA-N 314.267 2.558 0 50 DFAA O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1ccccc1 15879982 RPGQONZTKJZFKA-UHFFFAOYSA-N 311.370 2.598 0 50 DFAA O=C(c1ccccc1F)N1CCN(Cc2ccccc2F)CC1 19349145 AASWQLBRYLBLDN-UHFFFAOYSA-N 316.351 2.923 0 50 DFAA COc1ccc2oc(N3CCC[C@@H](CC(=O)N(C)C)C3)nc2c1 1857701044 OGTFVZGDKWWELD-LBPRGKRZSA-N 317.389 2.531 0 50 DFAA CC(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)no1 423655413 SFMQGCISTSKJGK-UHFFFAOYSA-N 303.337 2.835 0 50 DFAA CCO[C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1 123188868 HLPQMTNHCPWEEH-SQNIBIBYSA-N 311.381 2.539 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)[C@H]1OCCc2ccccc21 237990337 KDLXAKJGGUAREU-PBHICJAKSA-N 317.385 2.546 0 50 DFAA COc1nc(C)cc(C)c1-c1noc([C@H]2CCN(C)[C@@H](C)C2)n1 241946758 UNRGZRGQAXUEQU-STQMWFEESA-N 316.405 2.955 0 50 DFAA Oc1cccc(N2CCN(c3cnc4ccccc4n3)CC2)c1 345072326 HUMVBVANBOUSIL-UHFFFAOYSA-N 306.369 2.662 0 50 DFAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2ccncn2)C1 14987219 QVERNDRNZHBJJW-CQSZACIVSA-N 306.369 2.978 0 50 DFAA COc1cc([C@@H](C)NC(=O)c2c[nH]c(C(F)(F)F)c2)ccn1 355137551 QDMJTJOLFCJWQH-MRVPVSSYSA-N 313.279 2.928 0 50 DFAA CCc1cccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)c1 153778907 FHUIZVYIMBBAPN-UHFFFAOYSA-N 319.342 2.693 0 50 DFAA O=C(Nc1ccc2nc(S)oc2c1)[C@H]1CC12CCOCC2 163699799 MXWKVSNVTGODGL-SNVBAGLBSA-N 304.371 2.872 0 50 DFAA Cc1nnc2n1C[C@H](C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1)CC2 804780916 FYSZKHAOVCSVCS-IAOVAPTHSA-N 324.428 2.759 0 50 DFAA CCc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)no1 906234072 OKSYFHCFYTXXQN-MRVPVSSYSA-N 308.284 2.943 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1 106781 SXTYNPOTSCEKAU-UHFFFAOYSA-N 313.309 2.627 0 50 DFAA biogenic,in-vitro COc1cnc(C)cc1C(=O)Nc1n[nH]c2c(F)cccc12 2100555582 XVJWILIMPBDHQT-UHFFFAOYSA-N 300.293 2.666 0 50 DFAA CCc1occc1C(=O)N1CCC[C@@H](c2ocnc2C(=O)O)C1 2325784615 ZMKVVARCBYZURC-SNVBAGLBSA-N 318.329 2.548 0 50 DFAA CCc1ncncc1NC(=O)[C@H]1COc2ccc(Cl)cc21 2325805724 MADNUFXZKOLPTI-NSHDSACASA-N 303.749 2.807 0 50 DFAA C[C@](NC(=O)c1cc(Cl)c(Cl)[nH]1)(C(=O)O)C1CCC1 2325817160 YTUJQNNZQZAZQM-GFCCVEGCSA-N 305.161 2.695 0 50 DFAA Cn1nc(C(F)F)cc1CNc1cc(=N)[nH]c2ccccc12 2325856946 JLDUZEHJDGKLTG-UHFFFAOYSA-N 303.316 2.931 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)n[nH]1 225679014 PJWRECZNBOWZTR-CZUORRHYSA-N 317.364 2.620 0 50 DFAA O=C(O)c1cccc(NC(=S)NC(=O)c2ccccc2)c1 308174 ASQQNKLNCPDNBX-UHFFFAOYSA-N 300.339 2.512 0 50 DFAA CCc1c(C)sc(NC(=O)COc2ccccc2)c1C(N)=O 438379 ABKYMOBDUVMPOI-UHFFFAOYSA-N 318.398 2.735 0 50 DFAA CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)NC(=O)[C@H]12 794553 KTFNUCOMIDBYEJ-ASPXRTSYSA-N 303.361 2.730 0 50 DFAA CCOC(=O)[C@H](C(C)=O)[C@H](CC(C)=O)c1ccc(OC)cc1 1681243 RXJJDNNJRDDOLP-HZPDHXFCSA-N 306.358 2.526 0 50 DFAA COc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 4867965 DDKSXYVELOSMTB-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA CCc1cc(NCc2ncnn2C(C)C)nc(-c2ccccn2)n1 225534019 SAVREVUKFVBBDD-UHFFFAOYSA-N 323.404 2.886 0 50 DFAA CCC[C@@]1(CO)CCN(Cc2csc(-c3ncccn3)n2)C1 344171067 PBPJRDQWTWGDRS-MRXNPFEDSA-N 318.446 2.585 0 50 DFAA COc1ccccc1NC(=O)NCCOc1ccccc1OC 9873925 COUKXXRVVMBKEH-UHFFFAOYSA-N 316.357 2.904 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1 55564248 DSGOOQHKJYYYLU-INIZCTEOSA-N 309.413 2.836 0 50 DFAA CC(=O)c1ccc(CN2CCCC[C@@H]2CN2CCOCC2)cc1 65394151 MQHZRVHCURGQGE-LJQANCHMSA-N 316.445 2.576 0 50 DFAA O=C(O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1 170625481 SFMGLYWEUPKNHV-UHFFFAOYSA-N 308.337 2.504 0 50 DFAA COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@H](C(=O)O)C1 136122928 ZYRXUEORGZRWAI-NTYUQYKDSA-N 323.776 2.685 0 50 DFAA COc1ccccc1-n1nc(C(C)C)nc1CCn1cccn1 65531892 MVRMCDNDPDGENG-UHFFFAOYSA-N 311.389 2.839 0 50 DFAA CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1)C3 20671529 JPKRBSLZQBIWCR-GFCCVEGCSA-N 322.368 2.608 0 50 DFAA CC(=O)N[C@@H](C)c1ccc(-n2ccc(-c3cnccn3)n2)cc1 65528412 LTSCSJOYNFOMTR-LBPRGKRZSA-N 307.357 2.526 0 50 DFAA C[C@@H](C1CCN(Cc2cnc(N(C)C)s2)CC1)N1CCCC1 72421290 HDPPRDAWWBFEEZ-AWEZNQCLSA-N 322.522 2.905 0 50 DFAA O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@@H]1c1cccnc1 363223060 UGUFFLQGBXULHL-QZTJIDSGSA-N 321.380 2.938 0 50 DFAA CCC[C@H](NCc1cc2c(cc1OCC)C[C@H](C)O2)C(=O)O 123215092 LRYYSZTVOVBTGU-FZMZJTMJSA-N 307.390 2.752 0 50 DFAA COC(=O)[C@@H]1CCCN(C(=O)Nc2nc(C3CCC3)cs2)C1 283088405 VHAQINVCRXIJFH-LLVKDONJSA-N 323.418 2.828 0 50 DFAA CS(=O)(=O)c1ccc(N[C@H](CN)C2CCCCC2)c(F)c1 261807934 ZJUGQISPJIJFPG-OAHLLOKOSA-N 314.426 2.549 0 50 DFAA Cc1nc2ccccc2n1C[C@H]1CCCN1C[C@@]1(C)CCNC1 262052506 QJXIXKLUFJQZKM-APWZRJJASA-N 312.461 2.809 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2ncccc2Cl)C1 284446308 CDVGCHGXNZCEAE-PWSUYJOCSA-N 319.796 2.697 0 50 DFAA Cc1n[nH]cc1C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 373750834 IEPSNWDPIHCQOO-AWEZNQCLSA-N 323.400 2.620 0 50 DFAA COC(=O)C1(NC(=O)CCc2ccccc2N)CCCCCC1 262914395 RATGBACNFPVLGT-UHFFFAOYSA-N 318.417 2.584 0 50 DFAA O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)c1noc2c1CCCCC2 333773311 SGIWIIXMWZBXMT-OUCADQQQSA-N 304.390 2.631 0 50 DFAA Fc1cccc(-c2nnn([C@@H]3CCN(Cc4ccccc4)C3)n2)c1 339113841 JAIWCBBJWFMSGP-QGZVFWFLSA-N 323.375 2.926 0 50 DFAA COC[C@@H]1CCCCN1C(=O)c1cn(C)c2ccc(F)cc12 456947034 CCEZYSNQJNQKKG-ZDUSSCGKSA-N 304.365 2.959 0 50 DFAA O[C@@H](c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2)C1CC1 221435349 PVQJBRQLTOLPMY-ZLHKHBAESA-N 309.413 2.856 0 50 DFAA CCCCc1cc(NS(=O)(=O)c2sc(C)nc2C)[nH]n1 177776951 WBWCDTLAHGGGPT-UHFFFAOYSA-N 314.436 2.626 0 50 DFAA CC(C)c1ncc(CN(C)C(=O)c2onc3c2CCCC3)cn1 614450557 WPXOAESBBJEHCK-UHFFFAOYSA-N 314.389 2.739 0 50 DFAA Cc1ccc2c(CC(=O)NCc3cnc4cnccn34)coc2c1 426698170 DPHHPMYMTKMLAS-UHFFFAOYSA-N 320.352 2.643 0 50 DFAA Cc1cnccc1NC(=O)N1CCO[C@@H](Cc2ccccc2)C1 180609697 PPPFAVQWEPWZGS-INIZCTEOSA-N 311.385 2.865 0 50 DFAA Cc1cc(C)cc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1 244795038 QYNDLZFKOMCRBM-DJIMGWMZSA-N 305.418 2.833 0 50 DFAA C[C@]1(F)CCCN(C(=O)Cc2cccc(N3CCCC3=O)c2)C1 295685827 YXQOBTAAVDOGPK-SFHVURJKSA-N 318.392 2.707 0 50 DFAA Cc1cnn(CCCN2CCC[C@@H](C(=O)c3ccccn3)C2)c1 244858584 VNUPUXCAJIDMQX-MRXNPFEDSA-N 312.417 2.572 0 50 DFAA CC(C)(C)c1noc(CN2CCO[C@@H](Cc3ccccc3)C2)n1 181526910 PTZIIELORCCYCA-HNNXBMFYSA-N 315.417 2.811 0 50 DFAA CCN(CC)C(=O)c1ccc(NCc2cnc3ccnn3c2)cc1 624179532 SPUFFVZWCZRHEN-UHFFFAOYSA-N 323.400 2.823 0 50 DFAA Cc1ccc(C(=O)NCc2cc(COC(C)(C)C)on2)nc1C 298813298 AJCPJGRGCKPOQA-UHFFFAOYSA-N 317.389 2.932 0 50 DFAA CN(C(=O)c1cc[nH]c1C1CC1)[C@H]1CCO[C@@H]1c1cccnc1 299741321 DRTUFLLRWNRICS-DOTOQJQBSA-N 311.385 2.889 0 50 DFAA CCCOc1ccccc1CNC(=O)N1CCCC[C@@H]1CCO 534658165 YPSWFAVLGWSTIK-MRXNPFEDSA-N 320.433 2.922 0 50 DFAA CCc1nc(C)c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)o1 293459145 WNBIUBPDZOWYLF-HNNXBMFYSA-N 315.417 2.887 0 50 DFAA CC[C@H](c1n[nH]c(Cc2cccc(Cl)c2)n1)N1CCOCC1 822650321 CZIDCIDRNIQBPD-CQSZACIVSA-N 320.824 2.832 0 50 DFAA CC(C)C(=O)Nc1cccc(C(=O)N(C)Cc2ccon2)c1 827621896 YQVVRLKMWCKAQY-UHFFFAOYSA-N 301.346 2.541 0 50 DFAA CCn1nc(C)c([C@H](C)NC(=O)c2onc3c2CCCC3)c1C 670451151 ANIPXYRXVONUDY-JTQLQIEISA-N 316.405 2.878 0 50 DFAA CCN(CC(F)(F)F)C(=O)NCc1ccc2nc[nH]c2c1 670447819 BBNZGGGVMGMGQW-UHFFFAOYSA-N 300.284 2.657 0 50 DFAA CN1CCC[C@H](NC(=O)Nc2cc3c(cc2Cl)CCC3)C1=O 685940234 VCAKSIUXBYXFPS-ZDUSSCGKSA-N 321.808 2.571 0 50 DFAA Cc1cc(SCc2csnn2)nc(-c2ccccn2)n1 1875288204 RYDIQJOAXILOKM-UHFFFAOYSA-N 301.400 2.991 0 50 DFAA Nc1nc(CCCNc2nc(-c3ccccc3)no2)cs1 952970423 AJDHRTRDITVWBA-UHFFFAOYSA-N 301.375 2.820 0 50 DFAA CC[C@H](C)Cc1nc(Cc2nonc2C)n(-c2cccnc2)n1 952870016 UCTGQAHALGAHEX-NSHDSACASA-N 312.377 2.533 0 50 DFAA Cc1nnc([C@H]2CCCN(Cc3cccc4c3OCO4)[C@H]2C)o1 886096494 JYYUANOHNCAWBH-FZMZJTMJSA-N 315.373 2.875 0 50 DFAA O=C(Nc1ccc(-c2nnco2)c(F)c1)C1SCCS1 1776000048 OFHZKAHBHAMGRL-UHFFFAOYSA-N 311.363 2.620 0 50 DFAA COc1cccc(CCC(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)c1 1565513495 NPFLKBRBPXELBJ-MSOLQXFVSA-N 318.461 2.672 0 50 DFAA O=C(CC1(O)CCCCC1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 408060357 JCAWFNCIHYCJGN-CVEARBPZSA-N 321.392 2.545 0 50 DFAA CCN(c1ccc(NC(=O)c2cnnc(O)c2)cc1)C(C)C 408523358 IZXHCCTWLBHIBD-UHFFFAOYSA-N 300.362 2.669 0 50 DFAA O[C@@H](c1ccccc1)c1nncn1Cc1ccc(F)c(F)c1 170087483 SOVXNVCHOMMWDT-HNNXBMFYSA-N 301.296 2.686 0 50 DFAA O=C1N[C@H]([C@@H]2CCCOC2)C(=O)N1c1cccc2ccccc12 170091187 ILIOABOYCIPMOQ-CZUORRHYSA-N 310.353 2.691 0 50 DFAA COc1ccc2c(c1)[C@H](N[C@H](C)C[S@](C)=O)CCCS2 188450469 PIOPMFWPBAGZQD-GIQGCJHYSA-N 313.488 2.979 0 50 DFAA COC[C@H](C)n1ccc(NC(=O)NCc2cccc(F)c2)n1 189928364 ILUCYLUMSXGYSZ-NSHDSACASA-N 306.341 2.551 0 50 DFAA CN(C(=O)c1cc(O)ccc1C(F)(F)F)c1nncs1 193827955 WZSLPYFBFWZUMB-UHFFFAOYSA-N 303.265 2.539 0 50 DFAA CCc1nocc1C(=O)NC[C@H](c1cccs1)N1CCCC1 585100345 RKMHJDFTPBGUPW-CQSZACIVSA-N 319.430 2.865 0 50 DFAA C[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@H]1O 768527672 VBJICYCTIRCOCJ-MLGOLLRUSA-N 306.369 2.509 0 50 DFAA CN(C)c1nccnc1NCC1(N2CCCCC2)CCCC1 1529159482 RFPRJAALNBQCCB-UHFFFAOYSA-N 303.454 2.753 0 50 DFAA CCc1c(C)noc1NC(=O)[C@H](c1ccccc1F)N(C)C 1529104008 JWVFMYLYWJYJBD-AWEZNQCLSA-N 305.353 2.926 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@@H](CCCO)C3)co2)cs1 1615002567 ILQHXFZQXOAOFV-GFCCVEGCSA-N 320.414 2.946 0 50 DFAA Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1Br 4369310 GZGHIWXQPZQUHK-UHFFFAOYSA-N 306.225 2.834 0 50 DFAA in-vitro O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(C(=O)O)cc1 3300338 IZWUIJSEHUIIKX-NTEUORMPSA-N 311.268 2.868 0 50 DFAA CC[C@@]12C[C@H]1CN(C(=O)c1cnn(-c3ccccc3OC)c1)C2 1772808030 FMFVYSCZNXJDAC-KSSFIOAISA-N 311.385 2.753 0 50 DFAA CS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 12593106 JGCJFIIQBWISMX-NSHDSACASA-N 303.374 2.569 0 50 DFAA O=C(NCc1ccccn1)c1c[nH]c2c(Cl)cccc2c1=O 13727568 XRFHOYDMNIYULU-UHFFFAOYSA-N 313.744 2.507 0 50 DFAA Cc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1 16580751 UCCFBNZUKGZIPD-UHFFFAOYSA-N 300.427 2.948 0 50 DFAA CO[C@@H]1CCCN(c2ccc(-c3nc(CC(C)C)no3)cn2)C1 19595695 WEQVQNDFJPFJDX-CQSZACIVSA-N 316.405 2.945 0 50 DFAA O=C1CC[C@@H](C(=O)N2CCCCC[C@@H]2C=Cc2ccccc2)N1 1857533231 IHCBLVZWLKSTHZ-SJORKVTESA-N 312.413 2.750 0 50 DFAA CCC(=O)Nc1ccc(Cl)c(NCc2ccn(C)c(=O)c2)c1 674649545 BIBMZVUFPYKJOO-UHFFFAOYSA-N 319.792 2.999 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1CCN[C@H](c2cccc(F)c2)C1 375908980 DPGPNVJAUXVTKV-INIZCTEOSA-N 313.376 2.818 0 50 DFAA O=S(=O)(Nc1ccccc1Oc1ccccn1)N1CCCC1 901962734 LTLWMBUMCHNYHE-UHFFFAOYSA-N 319.386 2.626 0 50 DFAA O=C(NCCCN[C@@H]1CCCC[C@@H]1CCCO)c1cccs1 820814624 LILWCZOMOMCYAI-HUUCEWRRSA-N 324.490 2.789 0 50 DFAA O=C1C[C@H](NC2Cc3ccccc3C2)CN1Cc1ccccc1 1255012284 USKIIFFUHDIYFS-IBGZPJMESA-N 306.409 2.545 0 50 DFAA CCC1(CC)CNC(=O)[C@@H]1NCc1csc(-c2ccoc2)n1 933291568 XTOVMCCNDLJFEG-ZDUSSCGKSA-N 319.430 2.798 0 50 DFAA COc1ccc([C@H](CC(=O)O)NC(=O)c2cccs2)cc1 37032 JNELHVARRDZWTP-LBPRGKRZSA-N 305.355 2.703 0 50 DFAA FC(F)(F)COc1cncc(-c2cnn(C(F)(F)F)c2)n1 2325800635 YYOPKVSBDRJUHT-UHFFFAOYSA-N 312.173 2.758 0 50 DFAA Cc1nn(-c2ccncc2)cc1CNc1ccc(CN)c(F)c1 2325857564 GPYDARDNXNCWJO-UHFFFAOYSA-N 311.364 2.786 0 50 DFAA [O-][n+]1cccc2c(Br)cc(Br)c(O)c21 231931 BRWYIVVRBSLDDK-UHFFFAOYSA-N 318.952 2.704 0 50 DFAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 859513 STUXFJLOLRYQAH-UHFFFAOYSA-N 305.355 2.582 0 50 DFAA Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4240013 OYQKPHYUBCDZCK-UHFFFAOYSA-N 306.431 2.516 0 50 DFAA O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccs1 4497521 MFGULFDETHTLPH-LLVKDONJSA-N 320.801 2.937 0 50 DFAA CCOc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1 6715954 JQCWERODZXJPJU-UHFFFAOYSA-N 324.336 2.517 0 50 DFAA CN(CC[C@@H]1CCCCN1C)C(=O)N[C@H]1COc2ccccc21 246574319 ZMDBSTVFNSQRRT-HOCLYGCPSA-N 317.433 2.636 0 50 DFAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC1 8077163 ATTATPNXUUJVLD-WFASDCNBSA-N 304.390 2.606 0 50 DFAA CC(C)(C)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)no1 101448536 PTJRONGPUOQINW-NGERZBJRSA-N 306.362 2.658 0 50 DFAA Cc1ccccc1-c1noc(CNCCc2c(C)n[nH]c2C)n1 67587867 FGOQYRJQDZUJBN-UHFFFAOYSA-N 311.389 2.717 0 50 DFAA C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2c(s1)CCCC2 67834050 CEQKYUPMPINXFG-SECBINFHSA-N 316.430 2.725 0 50 DFAA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C[C@H]1CCCN1 155276115 URDSAZVNFWUDBN-HZPDHXFCSA-N 302.418 2.507 0 50 DFAA Cc1cc(C)cc(C[C@@H](C)NC(=O)NCCc2ccn(C)n2)c1 354765262 FGFGNTDGMHVVEO-OAHLLOKOSA-N 314.433 2.510 0 50 DFAA CCOC(=O)c1c(C)n(C)c2ccc(O[C@H](C)C(=O)OC)cc12 96591 XRVSJLSOULINGX-LLVKDONJSA-N 319.357 2.604 0 50 DFAA biogenic CCS(=O)(=O)c1cccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 253369493 DDZTVKYFLXERLM-BZUAXINKSA-N 321.442 2.850 0 50 DFAA CN(CC1CCC1)C(=O)c1ccc(-c2nnc(S)o2)cc1 124114495 HAODOQAMNXXRFK-UHFFFAOYSA-N 303.387 2.897 0 50 DFAA CCN(C(=O)c1nnc2ccccc2n1)[C@@H](C)c1cccnc1 253418349 ONKRLLOWOYJZPJ-LBPRGKRZSA-N 307.357 2.643 0 50 DFAA CCN(C(=O)Cc1cncnc1)[C@H](C)Cc1ccc(OC)cc1 253421441 VNRNWXJLBGSOFQ-CQSZACIVSA-N 313.401 2.507 0 50 DFAA COC[C@H]1CCN(c2ccc(-c3nc(C(C)C)no3)cn2)C1 39412723 KYHLEGVCTXZZNG-LBPRGKRZSA-N 302.378 2.728 0 50 DFAA COc1cccnc1N(C)C(=O)c1csc([C@@H]2CCCO2)n1 123157205 DYFQRXBVKODIQQ-LBPRGKRZSA-N 319.386 2.675 0 50 DFAA Cc1ncsc1CN1CCCC[C@@H]1CCN1CCOCC1 72172993 XNIAAVZYBNEDMU-OAHLLOKOSA-N 309.479 2.528 0 50 DFAA CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1O 77535297 CORVZBMRJXTTDU-CYBMUJFWSA-N 324.808 2.567 0 50 DFAA CC(C)N1CCC[C@@H](CN(C)Cc2cccc(CCN)c2)C1 72151033 OGVNLJAHNQVZND-IBGZPJMESA-N 303.494 2.740 0 50 DFAA C[C@H]1CN(C(=O)c2cc3nccnc3cc2F)c2cccnc2O1 370122704 QNDSGMTUXKRMBY-JTQLQIEISA-N 324.315 2.592 0 50 DFAA Cc1ccccc1-c1ncc(CN2CCN(CC3CC3)CC2)cn1 215492270 VTJZKISTSQLBMJ-UHFFFAOYSA-N 322.456 2.980 0 50 DFAA CCN(CC)CC[C@@H](CO)NC(=O)Nc1ccsc1Cl 241719866 QQJKABSTVCIQMR-JTQLQIEISA-N 319.858 2.616 0 50 DFAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCNCC3)c2c1 237773760 NAVSBTWSQXOIPL-UHFFFAOYSA-N 309.413 2.774 0 50 DFAA Cc1ccc(C2(O)CCN(c3ncccc3Cl)CC2)nc1 71315021 XHIRDXGRRIVJKQ-UHFFFAOYSA-N 303.793 2.926 0 50 DFAA O=C(NCc1ccc(CN2CCCC2=O)cc1)C1CCCC1 72117512 WREDWNNHGCJCAG-UHFFFAOYSA-N 300.402 2.615 0 50 DFAA CC(C)(C)c1nc(CN2CCN(C(=O)CC3CC3)CC2)cs1 339493052 MQTXTNXKLNBBEZ-UHFFFAOYSA-N 321.490 2.885 0 50 DFAA CC(C)[C@@H]1C=CCN1C(=O)c1cccc(-c2cnc(N)cn2)c1 426471751 ZMYZFRFFVLHSLH-INIZCTEOSA-N 308.385 2.762 0 50 DFAA Cc1ccnc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 82230402 MKGFIGNSNXYVTG-UHFFFAOYSA-N 311.263 2.821 0 50 DFAA Cc1ncsc1CCCNc1cc(C2CC(O)C2)ncn1 222864767 BLINOYZSMCSKOR-UHFFFAOYSA-N 304.419 2.525 0 50 DFAA C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1CC(C)(O)C1 615809100 XSEQPQJCNQAVTO-CYWKSYIRSA-N 321.808 2.897 0 50 DFAA CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 236906955 YLEFKENQIFYOLP-LKFCYVNXSA-N 323.824 2.544 0 50 DFAA CNC(=O)Cc1noc(-c2sc3ccc(OC)cc3c2C)n1 163071731 DQMVQRSZFRUQEI-UHFFFAOYSA-N 317.370 2.557 0 50 DFAA Cc1cc(C)c(CNC(=O)c2cc(CC(C)C)nn2C)cn1 92028057 CDMFYXYDXWUBGM-UHFFFAOYSA-N 300.406 2.560 0 50 DFAA O=C(Cn1ccnc1-c1ccccc1)N1CC(c2cccnc2)C1 95530536 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C1=C2CCO[C@@H]3CCN4c5ccccc5[C@]56CCN1[C@H]5C[C@H]2[C@H]3[C@@H]46 253588787 SJSSKICDPRUNRW-CGUBOJCUSA-N 320.436 2.914 0 50 DFAA Cc1cc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1F 264538342 AGPHLZRIQNZENV-MRXNPFEDSA-N 319.424 2.904 0 50 DFAA Cc1csc(CNC(=O)N2CC[C@H](Oc3ccccc3)C2)n1 363063894 NQNJEWXUUZMAQJ-AWEZNQCLSA-N 317.414 2.814 0 50 DFAA CC(C)C[C@@H](O)C(=O)NC1(CN2CCCCC2)CCCCC1 820961695 XVVBYDLDKGILBL-MRXNPFEDSA-N 310.482 2.698 0 50 DFAA O=C(CCN1CCCCCC1)N1CCCC2(CCOCC2)C1 670433820 CAVBWZNVMIHEOB-UHFFFAOYSA-N 308.466 2.672 0 50 DFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1ccccc1C1CC1 1875399559 CTMXWUYIYLUYSI-GDIGMMSISA-N 311.429 2.690 0 50 DFAA O[C@H](Cn1cc(C23CC4CC(CC(C4)C2)C3)nn1)c1ccccn1 1875282338 YPEJMYFTBRMWAS-MUGCCGGLSA-N 324.428 2.875 0 50 DFAA COC(=O)[C@H](CC1CC1)NC(=O)c1cc2cccc(C)c2[nH]1 1875266062 POQJFNMVVATGCW-AWEZNQCLSA-N 300.358 2.548 0 50 DFAA C[C@H](O)c1nc2ccc(NC(=O)c3cnc(C4CC4)nc3)cc2[nH]1 952966311 HZUBEIAJDJUORW-VIFPVBQESA-N 323.356 2.536 0 50 DFAA CC(C)Cc1noc(CN=[S@]2(=O)CCNc3ccccc32)n1 1775989031 ALFVOKOJUNKIAW-QFIPXVFZSA-N 320.418 2.721 0 50 DFAA CCN(Cc1cccs1)C(=O)c1cn(C)nc1[C@H]1CCOC1 275333734 RLXYBKVYKOHUHP-LBPRGKRZSA-N 319.430 2.648 0 50 DFAA COc1ccc(N(C)C(=O)[C@@H]2C[C@]23CCOc2ccccc23)cn1 276901492 ISPHMULIONDRAZ-KXBFYZLASA-N 324.380 2.793 0 50 DFAA O=C(Nc1cccc(F)c1)OC1CN(C2CCSCC2)C1 170606889 GBUQLVBDCWHVLO-UHFFFAOYSA-N 310.394 2.954 0 50 DFAA Cn1cc(C(=O)Nc2n[nH]c3ccc(C(F)(F)F)cc23)cn1 170609876 QBBKSNLGGNJBQZ-UHFFFAOYSA-N 309.251 2.568 0 50 DFAA COc1ccc([C@H](NC(=O)Nc2cnns2)C2CC2)cc1 192331232 WXVGPTGFTMIKND-CYBMUJFWSA-N 304.375 2.820 0 50 DFAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1nc(C2CC2)nn1C 648317354 VRYFCHFUDNQSEB-XJKSGUPXSA-N 324.428 2.640 0 50 DFAA C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)C[C@@H](C)O 195556631 CZPWJMATCQVIBD-WDEREUQCSA-N 318.339 2.659 0 50 DFAA O=C(c1cncc2[nH]ccc12)N1CC[C@@H](Cc2nccs2)C1 890203347 GNMOZDPQVDMNTC-NSHDSACASA-N 312.398 2.724 0 50 DFAA CCCn1nc(C)c(NC(=O)CCn2ccnc2CC)c1C 1506396368 HHKMNFRHPPLXJW-UHFFFAOYSA-N 303.410 2.698 0 50 DFAA Cc1ccc([C@H]2CN(CC(C)C)C[C@@H]2NC(=O)C2CC2)cc1 222274040 HWPDBIDVSPSYGU-MSOLQXFVSA-N 300.446 2.945 0 50 DFAA Cc1cc(N[C@@H]2c3ccccc3C[C@H]2O)nc(N2CCCCC2)n1 1704348745 BMACXOCBYZYRPK-SJLPKXTDSA-N 324.428 2.846 0 50 DFAA CN(C(=O)Nc1ccnc(O[C@H]2CCOC2)c1)c1ccccc1 1615053600 HJPPETWCVAGEDJ-HNNXBMFYSA-N 313.357 2.918 0 50 DFAA CCOc1ncccc1CN[C@@H]1CCCC2(CC1)OCCO2 1615586194 QXOQWDJXZAFUTA-OAHLLOKOSA-N 306.406 2.646 0 50 DFAA CCCCN1C[C@@H]2CN(C/C=C/c3ccccc3)C[C@]2(CO)C1 1772807767 ADALKOZYCBRFFH-YECZOLDGSA-N 314.473 2.726 0 50 DFAA O=C1NCCc2ccc(-n3ccnc3-c3cccc(F)c3)cc21 1772804705 CVZQSPJLMUPEPO-UHFFFAOYSA-N 307.328 2.964 0 50 DFAA C[C@H](NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 5073643 FGVXYRMRUYDJCS-ZFWWWQNUSA-N 315.369 2.506 0 50 DFAA COc1ccc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)cc1 1857695009 PHUURUWVBIELJS-MRXNPFEDSA-N 304.434 2.774 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)C1Cc2ccccc2C1 1857699450 UYEHONNJPOLSOL-FRQCXROJSA-N 313.397 2.646 0 50 DFAA CN(C)[C@@H](C(=O)NCCc1ccccn1)c1ccc(Cl)cc1 653544078 LNGXHAJVUNHGOI-MRXNPFEDSA-N 317.820 2.697 0 50 DFAA CCC[C@@H]1CN(C(=O)Nc2cc(-c3ccoc3C)on2)CCO1 331887014 DUGKRPDTOVBSQP-GFCCVEGCSA-N 319.361 3.276 0 50 DFAA NC[C@@H]1CCCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 237846752 IDXPKQUHJAQVQW-LBPRGKRZSA-N 304.287 2.798 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCC(OC3CCCC3)CC2)c1 238204638 FYVJVGXDUWEOST-UHFFFAOYSA-N 317.385 2.949 0 50 DFAA CCOc1ccccc1CCNC(=O)[C@H]1CCCc2[nH]ncc21 134255874 GJRJXNLSBPWCRL-AWEZNQCLSA-N 313.401 2.587 0 50 DFAA COc1ccc2c(c1)[C@@H](N)CCN2C(=O)Cc1ccccc1F 365490765 JOLRAIHNZPLSKR-INIZCTEOSA-N 314.360 2.814 0 50 DFAA CCc1ncc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cn1 155493111 CRBCKZAIQRIHIF-NSHDSACASA-N 317.776 2.882 0 50 DFAA O=C(Nc1nsc(-c2ccccc2Cl)n1)[C@H]1CCCO1 584908767 OHLSKBAMFHKPTI-SNVBAGLBSA-N 309.778 2.976 0 50 DFAA C=CC(=O)N(CC)CC(=O)NC1CC(c2cccc(Cl)c2)C1 900844400 OSYPXHVIJLFQJV-UHFFFAOYSA-N 320.820 2.737 0 50 DFAA Cc1ccc(-c2noc([C@H]3NCCOc4ccccc43)n2)nc1C 904736736 TUFGOAPEEZITES-INIZCTEOSA-N 322.368 2.820 0 50 DFAA Cc1ccncc1[C@@H](C)NC(=O)c1c(F)ccc2c1OCO2 935209496 FUZNDNMTFIEOPF-SNVBAGLBSA-N 302.305 2.749 0 50 DFAA O=C(O)CC1(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 846246729 QWRYACXWUBSSAN-QGZVFWFLSA-N 321.392 2.826 0 50 DFAA Cc1nn(C2CCOCC2)cc1CN1CCC[C@H]1c1ncc[nH]1 2325779684 XRAPURVZUXJGGM-INIZCTEOSA-N 315.421 2.603 0 50 DFAA COc1ccc2nc(NC(=O)c3scnc3Cl)[nH]c2c1 2325828753 QJKZXPFCCTUYJD-UHFFFAOYSA-N 308.750 2.934 0 50 DFAA NC(=O)Cc1ccc(Nc2cc(-c3cccs3)ncn2)cc1 2325870293 RJIFXDUXGJYGHQ-UHFFFAOYSA-N 310.382 2.977 0 50 DFAA Cc1cc(S(=O)(=O)Nc2cc(F)ccc2N)cc(C)c1F 2325870413 WPOOAFPZIYNPNG-UHFFFAOYSA-N 312.341 2.965 0 50 DFAA CN(C(=O)C12CC1C2)[C@H](Cc1ccc(F)cc1)c1nccn1C 2325898052 QSCXJTVLUZEQNY-NSWWBONSSA-N 313.376 2.711 0 50 DFAA C[C@@H](c1noc([C@@H]2OCCO[C@@H]2C(F)(F)F)n1)c1ccco1 867050976 TUIFTWSGYFEAMA-QNSHHTMESA-N 318.251 2.833 0 50 DFAA O=C(O)[C@H]1[C@H]2CN(C(=O)Cc3cccc4ccccc34)CC[C@H]21 905005263 BYHNOZLYPXEWCC-SOLBZPMBSA-N 309.365 2.561 0 50 DFAA CO[C@H](C)c1nc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cs1 245338669 NSJTZCMQGKLDQN-DVVUODLYSA-N 324.368 2.738 0 50 DFAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 202694 DAQZCHOLHGHNIE-SCLBCKFNSA-N 317.385 2.824 0 50 DFAA biogenic COc1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1 310584 ATEDSABEAJVUMY-CQSZACIVSA-N 303.358 2.900 0 50 DFAA O=C(COc1ccc(Br)cc1)NCc1ccncc1 449671 LYJCTNSFFJXIMA-UHFFFAOYSA-N 321.174 2.539 0 50 DFAA COc1ccc(F)c(F)c1C(=O)Nc1nc(C)c(C)c(C)n1 2356168130 QYGYDFXNYNLIKG-UHFFFAOYSA-N 307.300 2.941 0 50 DFAA Nc1cncc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1 2356169105 KVDZIQUMPOTBAP-UHFFFAOYSA-N 318.327 2.597 0 50 DFAA CN(C(=O)CN1Cc2ccccc2CCC1=O)C1CCCCC1 2356169310 PLELRMKWUBDIDV-UHFFFAOYSA-N 314.429 2.753 0 50 DFAA O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccnnc1 133992811 GZOLWGMHORBPLI-UHFFFAOYSA-N 307.235 2.624 0 50 DFAA C[C@@H](C(=O)NCCc1ccc(O)cc1)n1cnc2ccccc21 54633221 JWLCWACIGZZBOT-ZDUSSCGKSA-N 309.369 2.662 0 50 DFAA Cc1ccc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)nn1 57790978 UBZKMDHSJAGZHR-UHFFFAOYSA-N 324.306 2.646 0 50 DFAA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 248127776 XNHREYPQVAKHSP-GUTXKFCHSA-N 316.449 2.765 0 50 DFAA C/C=C(\C)CN1CCC[C@@H](CCNC(=O)c2snnc2C)C1 67695507 OTUOVCKVAQTJKJ-RUJPKEBESA-N 322.478 2.645 0 50 DFAA COc1ccccc1[C@H]1CCN(C(=O)c2ncc(C)cc2O)C1 330671252 WJUZRVPBFKFKMM-ZDUSSCGKSA-N 312.369 2.734 0 50 DFAA CCN(CC)C(=O)c1ccc(-n2nc(C)c(CC(C)=O)c2C)o1 65381856 UNNXMXOTVIWKHY-UHFFFAOYSA-N 317.389 2.696 0 50 DFAA Cc1ccc(NC(=S)N[C@H](CO)Cc2ccccc2)cc1 1393002 FOUNITCIJWKJJL-INIZCTEOSA-N 300.427 2.885 0 50 DFAA Cc1ccccc1[C@H](C)CC(=O)N1CCC2(CC1)CNC(=O)C2 253432273 XPHDHVZZXFMWPD-OAHLLOKOSA-N 314.429 2.617 0 50 DFAA CCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc2c1OCO2 2597333 AHNIOCOSNYMFCF-WFASDCNBSA-N 319.357 2.580 0 50 DFAA Cn1ccc2c(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cccc21 120543202 URWJCGCNIGCCJV-KUHUBIRLSA-N 312.413 2.946 0 50 DFAA biogenic O=S(=O)(NCC1(O)CCCCC1)c1ccc2c(c1)CCCC2 123431062 DPFOOGMPZUTQNR-UHFFFAOYSA-N 323.458 2.539 0 50 DFAA Cc1cc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)nn1C 329821838 AQELKLFWVHWAKM-KBPBESRZSA-N 310.401 2.970 0 50 DFAA CC(C)(CCS(C)(=O)=O)NC(=O)c1cccc2ccccc12 173289528 VQWAGDHHGXRZMJ-UHFFFAOYSA-N 319.426 2.783 0 50 DFAA Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](N)C2)cc1C 237652707 PWXDCHNCRNGNSZ-MRXNPFEDSA-N 322.408 2.708 0 50 DFAA O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCN1 237838878 BDLYYFYKUSYBMP-ZDUSSCGKSA-N 300.324 2.506 0 50 DFAA CNC(=O)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 158294256 XXLGATVZIZHZPR-UHFFFAOYSA-N 323.396 2.960 0 50 DFAA CCOc1ccc(CC(=O)NCCC23CCCN2CCC3)cc1 219339354 WYPIPEUZNLDPSY-UHFFFAOYSA-N 316.445 2.763 0 50 DFAA Cc1ccc2c(c1)CCN(C(=O)NCc1ccnc(N(C)C)c1)C2 241590548 PFVMTKLFWRZLNQ-UHFFFAOYSA-N 324.428 2.724 0 50 DFAA O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H]2CCCCO2)C1 245237704 RYQYYHZMPHEQEU-NVXWUHKLSA-N 302.418 2.906 0 50 DFAA Cn1cncc1CN[C@@H]1CCCN(c2ccccc2Cl)C1 174446859 WZBYCBNDNGFHEU-CYBMUJFWSA-N 304.825 2.832 0 50 DFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccnn2)cc1 77456098 VJOQPECBXHEPAG-GOSISDBHSA-N 324.428 2.906 0 50 DFAA CCc1cccc(CC(=O)NC2CCN(C3CCC3)CC2)c1 456681856 IGERPWLTOWHXTB-UHFFFAOYSA-N 300.446 2.925 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H](C)[S@@]1=O 287836054 KZEPGFLJBDIRSO-DAKYAEBGSA-N 304.415 2.540 0 50 DFAA Cc1cc(C(=O)N2CCC3(CCC(=O)NC3)CC2)ccc1Cl 220466595 HMRGNTBWJJKYCM-UHFFFAOYSA-N 320.820 2.781 0 50 DFAA CN(C)c1nc(Nc2ccc(C(N)=O)cc2)nc2ccccc12 41146991 NYIJCOLMAZPBOM-UHFFFAOYSA-N 307.357 2.538 0 50 DFAA biogenic C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)C1CC(C)(O)C1 615809101 XSEQPQJCNQAVTO-PWGATLRDSA-N 321.808 2.897 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)c1 45744816 FMVDMLWWVCBHEU-OAHLLOKOSA-N 324.490 2.704 0 50 DFAA C/C(=C\C(=O)N1CC[C@H](CN)C1)c1ccccc1C(F)(F)F 178553812 QACWVVBKDYZGFM-JATZPVMKSA-N 312.335 2.916 0 50 DFAA O=C(NC[C@]1(O)CCc2ccccc21)Nc1ccc(Cl)cn1 162177665 CTFMBDIXOQCOGU-MRXNPFEDSA-N 317.776 2.691 0 50 DFAA CN(CCN1CCCCC1=O)C[C@@H]1CCOc2ccccc2C1 95531555 XMZFUIFCXDSEMT-MRXNPFEDSA-N 316.445 2.572 0 50 DFAA Cc1ccc2nc(C)cc(-c3nc(CN4CCOCC4)no3)c2c1 95380620 HPODFKVDHBFNBQ-UHFFFAOYSA-N 324.384 2.734 0 50 DFAA Cc1nc(NCCCn2nc(C)nc2C)c2ccsc2n1 95391678 WDSBFLSAPGRNSK-UHFFFAOYSA-N 302.407 2.710 0 50 DFAA COc1cccc([C@H]2CCCCN2C(=O)Cc2nonc2C)c1 244811832 SLWHXSUVIATNHE-MRXNPFEDSA-N 315.373 2.683 0 50 DFAA CCCCN1CCn2nc(CNc3ncnc(C)c3C)cc2C1 299759587 UYAZDAWCAPTKGE-UHFFFAOYSA-N 314.437 2.518 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 271186409 NJROCVVUHSTVRE-FRGLDACASA-N 321.368 2.987 0 50 DFAA c1coc(-c2noc([C@H]3CCc4nnn(C5CCC5)c4C3)n2)c1 952893630 IHLYLABOUNKBEU-JTQLQIEISA-N 311.345 2.919 0 50 DFAA COc1ccnc(CN2CCC[C@H](c3cccc(O)c3F)C2)n1 1875292536 LHZDKAFTMKWQCX-LBPRGKRZSA-N 317.364 2.710 0 50 DFAA O=S(=O)(Nc1cnc(C2CCCC2)nc1)c1ccsc1 1875290769 CHPQOWYYRUBNQH-UHFFFAOYSA-N 309.416 2.997 0 50 DFAA O=C(NC[C@@H]1CCCN(CCC(F)(F)F)C1)c1cscn1 952870293 ZUJLWFRCYYKYFN-JTQLQIEISA-N 321.368 2.537 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2ccc(CN)cc2)c1C 952971484 SYFNOQCXMWDEMT-UHFFFAOYSA-N 310.357 2.596 0 50 DFAA C[C@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)Cc2ccccc2O1 1773608813 YCYFIZATWLNFCJ-XJKSGUPXSA-N 308.381 2.606 0 50 DFAA CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 1775961051 WJMYZORUBCSUHW-OCCSQVGLSA-N 313.357 2.576 0 50 DFAA COc1ccc(CN[C@H](C)c2cnn3ncccc23)c(OC)c1 1775999345 SGIFKHGBCPAZLH-GFCCVEGCSA-N 312.373 2.597 0 50 DFAA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ncc(C)c(OC)c1C 277556467 UZCALVCBGKWXKH-GDBMZVCRSA-N 320.433 2.871 0 50 DFAA CCCC[C@@](C)(CO)NC(=O)c1cc(F)c(F)c(F)c1F 585089884 YMIVFMSNXOAMFK-AWEZNQCLSA-N 307.287 2.914 0 50 DFAA O=C(COCCO)Nc1ccc(OC2CCCC2)c(Cl)c1 170601881 QFZVFCMGSYXAFO-UHFFFAOYSA-N 313.781 2.609 0 50 DFAA COC[C@@H](C)C(=O)Nc1cc(CCc2ccccc2C)n[nH]1 191310174 AODXKRWTXNISCG-CYBMUJFWSA-N 301.390 2.724 0 50 DFAA CCCNc1ccc(CNC(=O)N[C@@H]2CCCOCC2)cc1 192545537 MEXALAMKURYIFO-MRXNPFEDSA-N 305.422 2.877 0 50 DFAA CC(C)(CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC(=O)OC(C)(C)C 195550657 KDEHKXYZGAYDNJ-XQQFMLRXSA-N 312.454 2.693 0 50 DFAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCCC3CCC(F)(F)CC3)C[C@@H]21 1615553612 HRYAELWGJOIQNL-XDQVBPFNSA-N 300.393 2.692 0 50 DFAA Cc1ncc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cn1 1857691485 MZZJHJKZGONUEB-DOTOQJQBSA-N 311.433 2.913 0 50 DFAA COC(=O)c1ccc(-c2nccn2[C@@H]2CCC[C@H]2N(C)C)cc1 1875247774 RULVFNIYYKEKBO-HZPDHXFCSA-N 313.401 2.992 0 50 DFAA Cn1ccc(-c2noc(C3CCN(Cc4ccccc4)CC3)n2)n1 634666489 ATIMBFVJERZPKL-UHFFFAOYSA-N 323.400 2.850 0 50 DFAA O=C1CCCN1[C@H]1CCCN(Cc2nc3ccccc3[nH]2)CC1 665251811 LGRAZBOBRBTMNG-AWEZNQCLSA-N 312.417 2.540 0 50 DFAA O=C(O)[C@H]1CC12CCN(C(=O)C[C@@H]1CCc3ccccc31)CC2 675950334 KDNSTOWIBDUZIB-GOEBONIOSA-N 313.397 2.820 0 50 DFAA Cc1cc(C(=O)N2CCN[C@@H](c3cccnc3)C2)c(C)n1C1CC1 374368372 ZCSSEBZPOHZZKN-GOSISDBHSA-N 324.428 2.622 0 50 DFAA CN(C)c1ccc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1 900729930 JRVDQGXKJKQMQM-MSEWRSJXSA-N 324.424 2.575 0 50 DFAA CC(C)c1noc([C@]23CCC[C@H]2CN(c2ncc(F)cn2)C3)n1 845727082 ZCGVEEJAERBYAH-ZBEGNZNMSA-N 317.368 2.680 0 50 DFAA O=C(Cn1nnc2ccccc21)N1CC2CC1(c1ccccc1)C2 2325757658 FRNYSORDDHYEKC-UHFFFAOYSA-N 318.380 2.579 0 50 DFAA C[C@]1(C(=O)Nc2ccc3nc(-c4ccccc4)cn3c2)CCNC1 2325769192 TZOZBSFSYWLXDZ-IBGZPJMESA-N 320.396 2.939 0 50 DFAA Cc1cc2ccn(CCN(C)Cc3ccccc3)c(=O)c2n1C 2325772355 FWDYRUHACVRCNQ-UHFFFAOYSA-N 309.413 2.780 0 50 DFAA C[C@H]1CN(C(=O)c2cccc3c2OCO3)c2ccccc2NC1=O 150751688 ULWBIWWRWAIGTA-NSHDSACASA-N 324.336 2.650 0 50 DFAA COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 293142 HBCBLCXSQDIKHJ-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA COc1cc(CNC[C@H](C)O)ccc1OCc1ccccc1 8497993 QCBDEVFTLHTRGS-AWEZNQCLSA-N 301.386 2.745 0 50 DFAA COCCN1CC(=O)N([C@@H](c2ccccc2)C(C)(C)C)C1=O 225556040 DZMAYYUQXYQKDR-HNNXBMFYSA-N 304.390 2.684 0 50 DFAA CCN(Cc1noc(CC(C)C)n1)Cc1cccnc1NC 55244584 IKFINLHFWBABJG-UHFFFAOYSA-N 303.410 2.727 0 50 DFAA COc1ccccc1NC(=O)c1ccc(-n2nncc2C)cc1 9763964 IOLLABDGHXVTGZ-UHFFFAOYSA-N 308.341 2.837 0 50 DFAA Cc1ccc(O)c(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)n1 281825438 RLIMKSALPKPXKD-GDBMZVCRSA-N 302.349 2.543 0 50 DFAA C[C@@H](NCC(C)(C)C(N)=O)c1ccc(Br)s1 134820157 NWXWMKLVYWFSRE-SSDOTTSWSA-N 305.241 2.673 0 50 DFAA Cc1c(NC(=O)c2cnccn2)cccc1C(=O)NC(C)(C)C 55327919 MZRQTANKIPVBKS-UHFFFAOYSA-N 312.373 2.566 0 50 DFAA Cc1ccc(-c2cn(C3CCN(c4cnccn4)CC3)nn2)cc1 20388746 CZBSICSJRSDLLA-UHFFFAOYSA-N 320.400 2.885 0 50 DFAA COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O 66354649 QHFHNJLLHDVVPW-ZDUSSCGKSA-N 307.346 2.614 0 50 DFAA Cc1nc(N(C)C)nc(NCc2nnc(-c3ccccc3)[nH]2)c1C 65508068 UNUXHWBQEKMXJY-UHFFFAOYSA-N 323.404 2.557 0 50 DFAA O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccc[nH]1 119701778 LTTMRWXFSJLZIE-CYBMUJFWSA-N 303.431 2.718 0 50 DFAA O=C1C[C@H](COCc2ccccc2)c2c(nc3ccccn23)CN1 65407744 NNYVMKCWIXAAIC-OAHLLOKOSA-N 321.380 2.655 0 50 DFAA CCOCCCN1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@@H](C)C1 230149850 FNKGSQCZFPQCIR-ULQDDVLXSA-N 308.466 2.596 0 50 DFAA O[C@H]1CCCN(c2ncccc2CNc2ncccc2Cl)C1 67514738 FPDHNQVNFKMFPD-ZDUSSCGKSA-N 318.808 2.703 0 50 DFAA COc1ccc([C@@H](C)Nc2nccnc2N(C)C)cc1OC 302206327 WKPGBXWIMAZRJN-LLVKDONJSA-N 302.378 2.733 0 50 DFAA C[C@]1(Cc2ccccc2)OC(=O)N(Cc2ccccn2)[C@]1(C)O 1421488 RWFGFBQNXTZVIS-QZTJIDSGSA-N 312.369 2.744 0 50 DFAA CCc1cc(N2CC(C)(C)[C@H]2c2cccnc2)n2ncnc2n1 253428699 BCOJCIIOGBSWMN-OAHLLOKOSA-N 308.389 2.669 0 50 DFAA C[C@H](CCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 124299437 YIVFBEGFBRSOLZ-VNQPRFMTSA-N 302.418 2.731 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CCC1OCCO1 124585590 RXUIKAGYYMDHRX-AEFFLSMTSA-N 318.461 2.592 0 50 DFAA Cc1nn(CC(=O)N(C)CCCN2CCCCCC2)c(C)c1C 215465362 UTMNEHOTDYWEQP-UHFFFAOYSA-N 320.481 2.533 0 50 DFAA CCc1nccc(CN2CCC[C@@H](OCc3cccnc3)C2)n1 215910947 QEZHQVPAWKNUCZ-QGZVFWFLSA-N 312.417 2.615 0 50 DFAA COc1ccccc1N1CC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 127365797 JQMGVWXYIRCBER-OAHLLOKOSA-N 314.429 2.826 0 50 DFAA CC(C)c1ccc2occ(C(=O)N[C@@H]3CCC(=O)N(C)C3)c2c1 286226783 LNWSTPKCAJLEMR-CYBMUJFWSA-N 314.385 2.907 0 50 DFAA COc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)N)ccc1OC(C)C 237231646 HQPOQXNQSDRXSI-DZGCQCFKSA-N 320.433 2.824 0 50 DFAA O=C(CC[C@H]1CCNC1)Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1 261848760 MLHKZMJGFIPKOH-XUXIUFHCSA-N 302.422 2.642 0 50 DFAA Fc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1 39389200 LNNSKLVWQMXICP-UHFFFAOYSA-N 317.393 2.978 0 50 DFAA O=S(=O)(N1CCCC1)N1CCCC[C@@H]1CCc1ccccc1 72165139 OFAFPTBTWARYPF-QGZVFWFLSA-N 322.474 2.814 0 50 DFAA O=C(NC[C@H]1CCN(C2CC2)C1)c1cc2cccnc2s1 449789757 IEADDTBRBFTDKP-LLVKDONJSA-N 301.415 2.510 0 50 DFAA CCc1nc(C)cc(N2CC[C@H](OCc3csc(C)n3)C2)n1 376382790 MUZCDSOGUDDFNW-AWEZNQCLSA-N 318.446 2.908 0 50 DFAA COC[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC(C)(C)O1 285192643 WDXUIOMSEJZMLR-QMMMGPOBSA-N 321.204 2.588 0 50 DFAA CCN(Cc1noc(C)n1)C(=O)c1ccc([C@@H]2CCCN2)s1 82039451 VHLCHECNFWVHCS-NSHDSACASA-N 320.418 2.526 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)C[C@H]2CCCOC2)cc1 192801698 FTHDPFARBXFWMX-CYBMUJFWSA-N 304.390 2.580 0 50 DFAA CCc1nsc(N2CCCN(Cc3cccs3)CC2)n1 176787623 FHKYRIXTCVNFSX-UHFFFAOYSA-N 308.476 2.874 0 50 DFAA Cc1ccc(F)c(OCC(=O)N2CCCC[C@H]2CCC(=O)O)c1 237771046 CNRMSBNANIBFBV-ZDUSSCGKSA-N 323.364 2.759 0 50 DFAA Cc1cc(CNC(=O)N(C)Cc2c(C)nn(C(C)C)c2C)no1 426518301 KAYULUNCIRQZJC-UHFFFAOYSA-N 319.409 2.719 0 50 DFAA COc1ccc(C(N)=O)cc1-c1ccc(-c2ccnn2C)cc1 426414551 IPBHCCAFDWYHLE-UHFFFAOYSA-N 307.353 2.862 0 50 DFAA O=C1CCC[C@H](C(=O)Nc2ccc3ccn(C(F)F)c3c2)N1 617989578 MALPXTOVVXTDGZ-LLVKDONJSA-N 307.300 2.644 0 50 DFAA CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@H]2C(C)=NN=C2C[C@]1(C)O 239377504 OATADCACUCTNIL-HZMVEIRTSA-N 302.349 2.716 0 50 DFAA CS(=O)(=O)C[C@H]1CCCN(Cc2cc3ccccc3o2)C1 97631954 LDXOWGOYASGCIU-ZDUSSCGKSA-N 307.415 2.689 0 50 DFAA Nc1ncccc1CN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95365303 PVSHSWXWJAJYKE-OAHLLOKOSA-N 311.385 2.742 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)/C=C/c2cccc3cccnc23)C1 237653116 VUUHBMQVPNRQSO-LKGOPFMKSA-N 310.353 2.571 0 50 DFAA COc1ccc(-c2cn(Cc3ccco3)nn2)cc1CN(C)C 91848319 QWBGRRQWRZERTE-UHFFFAOYSA-N 312.373 2.657 0 50 DFAA CCc1nc(CN(C)Cc2ccc(OC)c3ncccc23)n[nH]1 244724345 MSGLMPWQYOOCID-UHFFFAOYSA-N 311.389 2.556 0 50 DFAA CN1CCc2ncnc(N3CCC[C@H]3c3cccs3)c2C1 247960391 DLJVWDUQSAOAEY-AWEZNQCLSA-N 300.431 2.868 0 50 DFAA Cn1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c2ccccc21 244690967 JAEYNPCRCOZTOQ-CQSZACIVSA-N 323.352 2.519 0 50 DFAA CO[C@H](C)CC(=O)Nc1cc(CCc2ccccc2C)n[nH]1 182898760 DVNBCEARZFIGDN-CYBMUJFWSA-N 301.390 2.867 0 50 DFAA CCC(=O)N1CC[C@H](Nc2ncnc3cc(Cl)ccc23)C1 268532058 INAABHWKJWOFDI-NSHDSACASA-N 304.781 2.706 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)C1 299744910 VKSWGLJIJGXVNA-GFCCVEGCSA-N 304.321 2.777 0 50 DFAA Cc1nc(C)c(CC(=O)N[C@H](c2nccn2C)C(C)C)s1 534584195 JYUJNUMNSJYAAK-AWEZNQCLSA-N 306.435 2.549 0 50 DFAA Cc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 264658201 YEYWGBCXMCPRBN-KRWDZBQOSA-N 301.434 2.765 0 50 DFAA O=C(CCc1cccc(O)c1)NC[C@@H]1CCN(C2CCCC2)C1 299787267 VSBKJTZGZJMHOV-INIZCTEOSA-N 316.445 2.706 0 50 DFAA C[C@@H]1CCCCN1C1CN(Cc2cccc(Cn3cccn3)c2)C1 822409902 QWFABIFJWBYKDF-QGZVFWFLSA-N 324.472 2.990 0 50 DFAA C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1cnn(C)c1 584903971 GWNHCPYPLKAJEX-SNVBAGLBSA-N 300.337 2.542 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)C12CCCN1CCC2 1361578927 VXELXMPVGYGKKR-DZGCQCFKSA-N 306.356 2.565 0 50 DFAA Cc1nc(N)c2c(C)c(C(=O)N3C[C@H](C)C[C@@H]3C)sc2n1 1361929989 MODWMBXDVFFYFH-SFYZADRCSA-N 304.419 2.761 0 50 DFAA Cc1cccnc1CNC(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C 274238344 SPBLGAAZEYVCOP-LSDHHAIUSA-N 305.422 2.781 0 50 DFAA Cc1cc(N2CCC[C@@H]2c2csc(C)n2)n2ncnc2n1 275027663 NOQXYRFPRRPWID-GFCCVEGCSA-N 300.391 2.539 0 50 DFAA CC1=CC[C@@H](N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C(C)C)CC1 668315245 HQHVGLCDENJODQ-IIDMSEBBSA-N 316.449 2.872 0 50 DFAA O=S1(=O)C=C[C@@H]2ONC(c3ccc(Cl)c(Cl)c3)=C21 669371869 CODVXHCCHMHLMC-VIFPVBQESA-N 304.154 2.508 0 50 DFAA Cc1nc(CNC(=O)N2CCC([C@H]3CCCO3)CC2)sc1C 170603213 CUXORWAWCWRKDM-CQSZACIVSA-N 323.462 2.861 0 50 DFAA CC[C@H](CC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccccc1 171442181 VAHFJQFWCVKWSV-PBHICJAKSA-N 314.429 2.840 0 50 DFAA O=C(c1ncc(F)cc1F)N1CCCCC[C@H]1c1ncon1 192207969 DQBYOSXKKFFKAM-NSHDSACASA-N 308.288 2.500 0 50 DFAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1cnc(SC)nc1 1529091012 MGNLDQWWVIEXAR-SNVBAGLBSA-N 305.407 2.927 0 50 DFAA CCCCc1ccc(C(=O)N(CCO)Cc2[nH]cnc2C)cc1 1704312823 BNLAZJKOSXKVPV-UHFFFAOYSA-N 315.417 2.695 0 50 DFAA CN(C)c1nc(NC[C@H]2CCN(c3ccccc3)C2)ncc1F 1772706332 PYIAOWKAUMTWRG-CYBMUJFWSA-N 315.396 2.620 0 50 DFAA O=C(Nc1cccc(O)c1)[C@H]1CC(c2ccc(F)cc2)=NO1 5029659 BAFSKMJBTZGKLT-OAHLLOKOSA-N 300.289 2.663 0 50 DFAA Cc1ccc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)cn1 11844214 QNEHTIJREVKZPY-LJQANCHMSA-N 323.440 2.827 0 50 DFAA COCC(=O)N1CCC(CCC(=O)Nc2cccc(C)c2)CC1 12385978 SVYKPUKUWDMKRA-UHFFFAOYSA-N 318.417 2.599 0 50 DFAA O=C(CC[C@@H]1CCCN(C(=O)Cc2cccs2)C1)NC1CC1 15077678 OQIJOBOJKMFYRF-ZDUSSCGKSA-N 320.458 2.588 0 50 DFAA COc1ccc(OC)c(N2C(=O)[C@H]3CC(C)=C(C)C[C@H]3C2=O)c1 18209731 CNXYMRWSASQIAE-OKILXGFUSA-N 315.369 2.940 0 50 DFAA CO[C@@H]1COC[C@@H]1n1ccnc1-c1ccc(C)c2ncccc12 1857689740 XCZWXGWKGREALD-JKSUJKDBSA-N 309.369 2.993 0 50 DFAA O=C(CCc1cnccn1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 437334591 RXKJDYUNGLMSEN-BXUZGUMPSA-N 319.767 2.874 0 50 DFAA CCSc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)ccn1 229819420 JTMOIPIXEYPNQG-JSGCOSHPSA-N 307.463 2.748 0 50 DFAA Cc1csc2c(N[C@H]3CCO[C@]4(CCOC4)C3)ncnc12 239367122 AHPJLUWRHNKNDL-XHDPSFHLSA-N 305.403 2.750 0 50 DFAA CO[C@]1(C)C[C@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C1(C)C 241693968 QJGYFKQKVRISGD-SSDWHGLXSA-N 323.481 2.505 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1c(F)cccc1F 246292726 UQDFOGLBLIECPX-KMUNFCNLSA-N 323.339 2.752 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 20429642 LXJPXGCCEBXVPZ-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA in-vitro Cc1cc(C(=O)O)cc(C(=O)N[C@H](C)Cc2c(C)noc2C)c1 263340741 RWGHVPGFQFKEPF-SNVBAGLBSA-N 316.357 2.659 0 50 DFAA C[C@]1(O)CCOC2(CCN(CCOCc3ccccc3)CC2)C1 1704303411 IXWDQHZMJYEAOF-SFHVURJKSA-N 319.445 2.599 0 50 DFAA CC(C)CN(C)C(=O)NCCc1ccnn1-c1ccccc1 920901503 OJKJAXFDTLIUJK-UHFFFAOYSA-N 300.406 2.712 0 50 DFAA CN(C)c1ccnc(NC(=O)Cc2cccc(C(F)(F)F)n2)c1 935344700 OAANHPFBIYZWIP-UHFFFAOYSA-N 324.306 2.743 0 50 DFAA COc1cc(C(=O)O[C@@H]2CC[C@H]2C2CC2)cc2cn(C)nc12 2325824329 YHQQQRCUZZSFFW-UONOGXRCSA-N 300.358 2.927 0 50 DFAA Cc1ccc(C(=O)Nc2cnc3n2CCNC3)c2ccccc12 2325855489 CIFCQRRCRIJUPV-UHFFFAOYSA-N 306.369 2.700 0 50 DFAA O=C(NCc1csc2ccccc12)N1C[C@H]2CC[C@@H](O)[C@H]2C1 887731968 AVVSFHMULKYPRQ-BYCMXARLSA-N 316.426 2.814 0 50 DFAA CCN(Cc1ccccc1)C(=O)CCc1nc2cccnc2[nH]1 111540719 RUOBTTMUISRJJV-UHFFFAOYSA-N 308.385 2.939 0 50 DFAA COc1ccc(OCC(=O)Nc2cc(OC)cc(OC)c2)cc1 260895 FOMKGMQOOYENGN-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(Cl)cc1Cl 367669 JHQFTDFEMPCINI-SECBINFHSA-N 324.229 2.759 0 50 DFAA O=c1nc(Nc2ccccc2)nc2n1CCN2c1ccccc1 380792 XQPQRUWWXAAIGZ-UHFFFAOYSA-N 305.341 2.534 0 50 DFAA CC(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 2122026 MYOATNNKJXVAGE-UHFFFAOYSA-N 312.394 2.945 0 50 DFAA COc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1OC 2392262 CZRGNFVQUYWGKP-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vitro O=C(O)c1c(N[C@@H]2CCOC2)noc1-c1ccc(Cl)cc1 2356153793 VGAFLHSPJMTYIS-SNVBAGLBSA-N 308.721 2.894 0 50 DFAA CC(C)=CCCc1nc(CC(N)=O)nn1-c1cccc(C)c1C 2356161134 HMXOSOSUEUXHSN-UHFFFAOYSA-N 312.417 2.811 0 50 DFAA CCOc1ccccc1NS(=O)(=O)c1ccc(OC)cc1 3833523 XCKVCXRYNFFCJG-UHFFFAOYSA-N 307.371 2.895 0 50 DFAA CSC1(CN2CCC[C@@H](c3nnc4ccccn34)C2)CC1 225419381 QKYCSTDZGVLAGU-CYBMUJFWSA-N 302.447 2.804 0 50 DFAA O[C@H](CN1CCC[C@@H](N2CCCC2)C1)c1ccccc1Cl 229246287 ARXRLDAKICEJLT-RHSMWYFYSA-N 308.853 2.934 0 50 DFAA C[C@@H]1CCCN1C(=O)c1ccc(CN2CCC(CO)CC2)cc1 120108047 XLTWKQHRJKGIBF-OAHLLOKOSA-N 316.445 2.515 0 50 DFAA O=c1cc(CN2CC[C@@H]3CCCC[C@H]3C2)nc2sccn12 252452428 HYHOMFJLXLXICI-STQMWFEESA-N 303.431 2.768 0 50 DFAA CCOC(=O)CC1(S(=O)(=O)Nc2ccc(C)c(C)c2)CC1 328595916 KGTSWTLCRKZRTA-UHFFFAOYSA-N 311.403 2.531 0 50 DFAA CCn1c(S)nnc1C1CCN(Cc2ccccc2)CC1 5679239 FAVPVTHTKCSAIJ-UHFFFAOYSA-N 302.447 2.966 0 50 DFAA Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(C2CCCC2)C1 72463393 KMSQQLSTCPNPAK-HNNXBMFYSA-N 317.481 2.533 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nc(C(=O)O)cs2)C1(C)C 124120406 MUGIKDWUWVMHMK-SKDRFNHKSA-N 308.403 2.696 0 50 DFAA NCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71415590 JOLCOABOIMZASS-GFCCVEGCSA-N 314.351 2.835 0 50 DFAA Cc1csc(-c2ccc(C(=O)N3CC[C@H](C(=O)O)C3)cc2)n1 237662776 PFZFOVABUWYOOY-ZDUSSCGKSA-N 316.382 2.665 0 50 DFAA CC[C@H](C)[C@H](O)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 378310178 OMDPWVCPDXSPPA-LLLHUVSDSA-N 305.418 2.508 0 50 DFAA NC[C@H]1CCCN1C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 238046354 ZWRUGKYYTOYJQX-MVGZEHJDSA-N 315.804 2.851 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N1CCS[C@@H](C)[C@H]1C 239667917 BRZRBVUVAYPXET-NDMJEZRESA-N 310.467 2.633 0 50 DFAA c1nc(N2CCCC2)sc1CN1CCOC2(CCCC2)C1 215418768 YKRYLZGOHRXVTP-UHFFFAOYSA-N 307.463 2.888 0 50 DFAA Cc1csc(CNC(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 455316702 DMPDHCUSCQKZBQ-LBPRGKRZSA-N 320.418 2.837 0 50 DFAA O=C(CSC(=S)N1CCCC1)n1ncc2ccccc21 43198628 NDQOPPLYHWQENA-UHFFFAOYSA-N 305.428 2.790 0 50 DFAA Cc1ccc([C@@H](C(=O)NCc2cnc(C)cc2C)N(C)C)cc1 223739707 MPPPTLRDIGWBCI-SFHVURJKSA-N 311.429 2.926 0 50 DFAA C[C@@H](Cc1ccccn1)NC(=O)N(C)CCN1CCCCCC1 426382801 RCOURBHHGBZRHX-INIZCTEOSA-N 318.465 2.530 0 50 DFAA Cc1ccsc1CNC(=O)CN1CCC(F)(F)[C@@H](C)C1 289904647 SQNMWAYEYHDLNJ-NSHDSACASA-N 302.390 2.650 0 50 DFAA CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(C)nc21 20604184 LXBIKXFTTAJAGW-QMMMGPOBSA-N 307.375 2.520 0 50 DFAA Cc1noc2ncnc(N[C@H](Cn3ccnc3)c3ccccc3)c12 95373108 VWFMIJUONBBBMX-CQSZACIVSA-N 320.356 2.976 0 50 DFAA COc1ccc(/C=C/CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc1 92107282 UOQPRDDIBDUXTF-VDJRXERYSA-N 301.386 2.751 0 50 DFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(Cl)c(C)c1)CC2 91997582 QLJGFNOTZJCOCV-CABCVRRESA-N 323.820 2.650 0 50 DFAA COc1cc(NC(=O)N(C)CCSC)cc(OC)c1OC 97604030 WXOISMHHENZHRS-UHFFFAOYSA-N 314.407 2.539 0 50 DFAA Cc1cc2c(cc1CN1C[C@@H](C(=O)O)[C@H](C(C)C)C1)OCCO2 91690673 QKPNWDFPGNVKIE-LSDHHAIUSA-N 319.401 2.555 0 50 DFAA CC1(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)CCC1 180782277 UWOZTLSUOJVBPA-UHFFFAOYSA-N 308.744 2.732 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC[C@@H]4N(CCO)CC[C@@]43C)[C@@H]1CC[C@H]2O 247722572 BSIXKFWZOQKKGU-RTAVLQBUSA-N 307.478 2.657 0 50 DFAA biogenic COCCOc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 252510826 BZSVGXROUMZRJQ-HKUYNNGSSA-N 319.445 2.839 0 50 DFAA Cc1ccnc(SCC(=O)N(C)Cc2cc(C(C)C)no2)n1 299797645 OIGSQWFRIVWHEF-UHFFFAOYSA-N 320.418 2.647 0 50 DFAA Cc1nnc(CN(C)C[C@H]2CCN(c3ccccc3)C2)s1 299764046 JRJIHSOOLXYGPS-CQSZACIVSA-N 302.447 2.805 0 50 DFAA C[C@@H](CC(=O)N1CC(Oc2ccccc2Cl)C1)n1ccnc1 299802715 WBMSRHPUKSGKGX-LBPRGKRZSA-N 319.792 2.777 0 50 DFAA Cc1nc(C(=O)NC2CCN(c3ccc(F)cc3)CC2)cs1 826588685 VMSIHSJBCAMVBH-UHFFFAOYSA-N 319.405 2.989 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 269189834 NSMUYUWEAUFURY-MRXNPFEDSA-N 309.365 2.752 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N1C[C@@H]2CCC[C@@]2(N)C1 876985707 SODOXNJQJJSEML-TVQRCGJNSA-N 302.296 2.560 0 50 DFAA C[C@@H](CC(=O)N1CC2(CCC2)[C@@H]1C(=O)O)c1ccc(F)cc1F 1875320842 MPRHLJSXEWRMOW-BONVTDFDSA-N 323.339 2.924 0 50 DFAA CC(C)c1ccc(NC(=O)COC(=O)[C@@]2(F)CCO[C@@H]2C)cc1 1875294866 PHGWEMPAXPSBBF-SJKOYZFVSA-N 323.364 2.809 0 50 DFAA CN(Cc1noc([C@@H]2COC(C)(C)C2)n1)C(=O)c1ccccc1 1875294001 KFTCFQMFZUNIAS-ZDUSSCGKSA-N 315.373 2.624 0 50 DFAA CC(C)CN(Cc1ccsc1)C(=O)Cn1ccc(=O)cc1 952986662 AHPOGPNOLMLZCD-UHFFFAOYSA-N 304.415 2.595 0 50 DFAA C[C@H](c1cncnc1)c1nc(-c2cc3c(nc2O)CCCC3)no1 897223661 ULWPQYLRYMCGGQ-SNVBAGLBSA-N 323.356 2.658 0 50 DFAA Cc1cccnc1CNC(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C 274238340 SPBLGAAZEYVCOP-GJZGRUSLSA-N 305.422 2.781 0 50 DFAA CCc1nc(C(=O)NC2(c3cccc(F)c3)CCOCC2)co1 680347322 KOVCTWSTNBNWFG-UHFFFAOYSA-N 318.348 2.812 0 50 DFAA Cc1ccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)cc1Cl 829382321 QOPAHFGNPULBBU-SECBINFHSA-N 309.671 2.784 0 50 DFAA CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(CC)nn2C)c1 635326015 QOGSWHXAMARXMS-UHFFFAOYSA-N 314.389 2.892 0 50 DFAA Fc1cc(Cl)ccc1CN1CCCN(c2cccnn2)CC1 189006419 UZLXKGRQFMSQSC-UHFFFAOYSA-N 320.799 2.981 0 50 DFAA CN(C)c1ccncc1CN[C@@H]1CCOc2ccc(F)cc21 189583196 DTABSYQOSBGPOE-OAHLLOKOSA-N 301.365 2.900 0 50 DFAA C[C@H]1CCN(C(=O)NCCc2cccc3ccccc23)[C@@H]1CO 190297684 QBWZEBHONJZUQW-KBXCAEBGSA-N 312.413 2.795 0 50 DFAA COc1ccc(F)c(C(=O)Nc2cccc3[nH]cnc23)c1OC 191860475 YLLKPRDJVVPPQO-UHFFFAOYSA-N 315.304 2.972 0 50 DFAA O=C1C[C@H](C(=O)N2CCC[C@@H]2c2cccc3ccccc23)CN1 194878699 OEXRFDCAGHNPPU-WMLDXEAASA-N 308.381 2.639 0 50 DFAA Cc1ccccc1SC1CCN(C(=O)[C@H]2C=CCN2)CC1 1506395741 MADOJODGCJHXGU-OAHLLOKOSA-N 302.443 2.606 0 50 DFAA CN(CC[C@H]1COCCO1)Cc1ccccc1C(F)(F)F 1800411985 SALPJWYRORTYIB-ZDUSSCGKSA-N 303.324 2.943 0 50 DFAA Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2COCC[C@]2(CO)C1 1772711422 CJROTVFEXVAGSU-MLGOLLRUSA-N 324.808 2.511 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](CC)c2ccccc2)C1 5663309 BTVNYNOTJHDXSS-HOTGVXAUSA-N 303.402 2.982 0 50 DFAA C[C@@H](C(=O)Nc1cccc(F)c1)n1cnc2ccccc2c1=O 13555973 XDOKDPILEKULBR-NSHDSACASA-N 311.316 2.735 0 50 DFAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC[C@H](c2ccccc2)N1 1857697832 OCDCVMZNZSJIAL-HZPDHXFCSA-N 324.380 2.525 0 50 DFAA CN(Cc1ccccn1)C(=O)[C@H]1CCN(Cc2ccccc2)C1 408518299 ZJQVGQYIYQHVAL-KRWDZBQOSA-N 309.413 2.562 0 50 DFAA O=C(Cc1ccoc1)N1CCC[C@H]1c1cccc2c1OCCO2 122853240 BQGVZBWGHJTBGF-HNNXBMFYSA-N 313.353 2.957 0 50 DFAA CCC(C)(C)N1CCN([C@@H](C(=O)O)c2cccc(OC)c2)CC1 634693178 RTJNAYHSDZTQIW-MRXNPFEDSA-N 320.433 2.627 0 50 DFAA Cc1ccc(CC(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cn1 669434879 MCZVTVHVHXXWKU-OAHLLOKOSA-N 310.353 2.538 0 50 DFAA C[C@@H](SCC(=O)Nc1cccc(Br)c1)C(=O)O 19508758 YIWANVDLGIQADD-SSDOTTSWSA-N 318.192 2.594 0 50 DFAA in-vitro c1ccc(OCc2nnn(C[C@H]3CCCC4(CCC4)O3)n2)cc1 901537359 NUUFBDARHZEPHL-OAHLLOKOSA-N 314.389 2.744 0 50 DFAA Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)c1ncccc1F 909637596 VFJSPZGRMBYFHR-NSHDSACASA-N 302.353 2.934 0 50 DFAA O=C(NC[C@@H]1CCCNC1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 911707392 NRDHMPQCSKGCTF-BYCMXARLSA-N 324.371 2.507 0 50 DFAA O=C(O)CC1(CN2CCC([C@H](O)c3ccccc3)CC2)CC1 846234683 VVSWJFYGWHALGS-QGZVFWFLSA-N 303.402 2.687 0 50 DFAA CN(C(=O)Cc1ccc(O)c(Cl)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100478123 SZLXWNDRDNVJIU-KPWCQOOUSA-N 323.820 2.596 0 50 DFAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 101799 OHLGNIVLMQBOLM-SNVBAGLBSA-N 318.236 2.870 0 50 DFAA CN1CCC(NC(=O)C(C)(C)Oc2ccccc2Cl)CC1 12381179 UOXQUEJGIOHYQE-UHFFFAOYSA-N 310.825 2.708 0 50 DFAA CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 528407 FHHQLFDRHAPLBS-UHFFFAOYSA-N 324.446 2.892 0 50 DFAA Cc1cccn2cc(-c3cccc(S(=O)(=O)N(C)C)c3)nc12 543891 ONEWPVAQYOBXSS-UHFFFAOYSA-N 315.398 2.560 0 50 DFAA Cc1nc(CN2CCC3(CC2)OCCc2sccc23)cn1C 2356142092 DAGDKCMLAQQYPS-UHFFFAOYSA-N 317.458 2.854 0 50 DFAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCc1cscn1 2356159048 JOXXLAUNGOYFEA-UHFFFAOYSA-N 301.327 2.530 0 50 DFAA O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 9235870 DBFQRCJSNSUWKE-LLVKDONJSA-N 316.307 2.956 0 50 DFAA O=C(COC[C@H]1CCOC1)Nc1ccc(-c2ccccc2)cn1 117650339 TUTRGGNAFFASLS-AWEZNQCLSA-N 312.369 2.740 0 50 DFAA Cc1ccc(OC[C@H](C)Nc2nc(C)nc3c2cnn3C)cc1 65199267 ZAUARRXSSKIQMZ-LBPRGKRZSA-N 311.389 2.860 0 50 DFAA CCCn1cnnc1CNc1ncnc2sc(C)c(C)c12 65386753 FBOLLDZVFGPIGN-UHFFFAOYSA-N 302.407 2.922 0 50 DFAA Cc1nc(N2CCC(CO)(Cc3ccccc3Cl)CC2)no1 67909303 OQMHWUXMFANMJR-UHFFFAOYSA-N 321.808 2.853 0 50 DFAA C[C@@H]1C[C@@H](C)CN(CCOc2ccc(CNN(C)C)cc2)C1 67612478 HWYXQONRPKTOFT-HZPDHXFCSA-N 305.466 2.610 0 50 DFAA Cc1ccc(CN2CC[C@@H](CNC(=O)c3cccc(C)n3)C2)cc1 67872322 CDRFFILKRKPKLO-SFHVURJKSA-N 323.440 2.950 0 50 DFAA O=C(c1cc[nH]c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 82121726 YSDCUZBIHXUJAX-UHFFFAOYSA-N 313.445 2.741 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)Nc1cnc2n1CCCC2 67909039 XSFGGRZMLJIVIK-UHFFFAOYSA-N 301.394 2.812 0 50 DFAA CCOc1cccc2cc(C(=O)NCc3ccccn3)c(=N)oc12 5809212 WZFUWGODTRDSBO-UHFFFAOYSA-N 323.352 2.636 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1 6881388 BONQXPIGSJZAMF-SNVBAGLBSA-N 324.427 2.746 0 50 DFAA CC(C)COc1cncc(N2CCO[C@H](c3ccco3)C2)n1 153331570 RWEGVMNLHYKAQE-AWEZNQCLSA-N 303.362 2.682 0 50 DFAA CCc1cc(-c2nccn2Cc2ccccc2-n2cncn2)on1 71749091 IOXVMEDLDVXQKA-UHFFFAOYSA-N 320.356 2.730 0 50 DFAA Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](CO)CC(F)F)s1 430521852 FDUAEDGCESLSLH-SECBINFHSA-N 314.357 2.798 0 50 DFAA Cc1csc(CN(Cc2scnc2C)C[C@@H]2CCNC2)n1 328639444 PMXZTOOUVLAXBK-CYBMUJFWSA-N 322.503 2.828 0 50 DFAA COCc1nc(N(C)Cc2sccc2C)c2cnn(C)c2n1 72151961 SWENQKFSZLZSRO-UHFFFAOYSA-N 317.418 2.516 0 50 DFAA COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 241171013 KDOHIVFTVQIUNM-BFHYXJOUSA-N 317.385 2.848 0 50 DFAA CC(C)(CN1CCO[C@H](c2cccnc2)C1)N1CCCCC1 215713711 LWXOUFIZPKZMFY-KRWDZBQOSA-N 303.450 2.719 0 50 DFAA COCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 77339258 JWERCNXGYRJFOR-UHFFFAOYSA-N 317.307 2.722 0 50 DFAA COc1ccc(OC2CCN(C(=O)c3ccncc3)CC2)cc1 49706213 QCSPHRPNTOZIMG-UHFFFAOYSA-N 312.369 2.774 0 50 DFAA Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H]2CCCOC2)n1 178572672 SNOSIGIYENDJOF-GOEBONIOSA-N 303.406 2.663 0 50 DFAA C[C@H](O)c1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1 426386468 UHYPDUSSDQOKKD-AWEZNQCLSA-N 311.381 2.879 0 50 DFAA O=C(N[C@@H]1CCc2ccccc21)N1CCC(c2ncon2)CC1 426506557 GHFZQJSCCHCQGQ-OAHLLOKOSA-N 312.373 2.646 0 50 DFAA C[C@@H]1Cc2cc(C(=O)NCCCOc3cccnc3)ccc2O1 426518928 HWFDZNWESNVHBE-CYBMUJFWSA-N 312.369 2.604 0 50 DFAA COc1ccsc1C(=O)N1C[C@H](C(=O)O)c2ccccc21 161951599 RBQYODKLWOYNDX-JTQLQIEISA-N 303.339 2.585 0 50 DFAA Cc1ccc([C@H](C(=O)N2CCC3(CCCO3)CC2)N(C)C)cc1 95373078 KZFFWSPDTNNIKG-QGZVFWFLSA-N 316.445 2.769 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)CC[C@H]2CCCCN2C)c1 95361237 RZWFHFHWVBEIHQ-QGZVFWFLSA-N 303.450 2.921 0 50 DFAA C[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@@]1(O)C1CC1 91987582 LXRCSXRKDONEQE-PXAZEXFGSA-N 306.381 2.518 0 50 DFAA CCc1ccccc1N1CCN(C(=O)NCCCSC)CC1 426435252 BQBSAIHEQFRFLJ-UHFFFAOYSA-N 321.490 2.834 0 50 DFAA COc1cccc(C[C@@H](NC(=O)[C@@H]2CCNC2)c2ccccc2)c1 162330485 FZIMUXIGNBOGQL-IEBWSBKVSA-N 324.424 2.705 0 50 DFAA O=C(Nc1cccc(C2CC2)n1)C1CCN(c2cnccn2)CC1 294026960 XEMMBNOQEGNTIG-UHFFFAOYSA-N 323.400 2.604 0 50 DFAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cc(=O)[nH]cn2)C1 91873310 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CCC[C@]1(CO)CCN(c2ccnc3ccccc23)C[C@@H]1O 1875250196 FLSBOGPMEWSKGL-ZWKOTPCHSA-N 300.402 2.585 0 50 DFAA COc1ccc([C@@H](C)CN2CCOC[C@H]2c2nc(C)no2)cc1 249785860 MCIUKVVYQDOTDT-LRDDRELGSA-N 317.389 2.564 0 50 DFAA CC1(C)C[C@@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)CCO1 151044603 CPBIOSWUJNLVQK-VIFPVBQESA-N 320.315 2.525 0 50 DFAA COC[C@H]1CCCCN(C(=O)Cc2cc(F)ccc2OC)C1 363711977 INRSOTCMTMRMGD-ZDUSSCGKSA-N 309.381 2.652 0 50 DFAA COc1c(S(=O)(=O)n2ccc(C)n2)ccc(Cl)c1Cl 4744879 MAZCLXPOYNPQMC-UHFFFAOYSA-N 321.185 2.744 0 50 DFAA NCc1ccc(C(=O)Nc2ccc3ncc(Cl)n3c2)s1 2325856576 VVVOBGFPTIZIEC-UHFFFAOYSA-N 306.778 2.760 0 50 DFAA CN1Cc2ccc(COC(=O)c3cncc4[nH]ccc34)cc2C1 2325859729 IRUJDGCQLTWXIY-UHFFFAOYSA-N 307.353 2.865 0 50 DFAA CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)cc2)CC1 256657 UYKRTPLYKHJURI-UHFFFAOYSA-N 318.417 2.599 0 50 DFAA O=C(COC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1 268517 UUDINXWIJJAVGU-UHFFFAOYSA-N 306.701 2.791 0 50 DFAA COC(=O)c1ccccc1NC(=O)c1ncoc1-c1ccco1 8608898 UQPVEWYUHPMVNQ-UHFFFAOYSA-N 312.281 2.974 0 50 DFAA COCCOc1ccccc1C(=O)Nc1ccc(OC)cc1 8723130 ASBATDYLKXOTAD-UHFFFAOYSA-N 301.342 2.973 0 50 DFAA CC(C)n1c(SCC(N)=O)nnc1-c1cc2ccccc2o1 8883307 SICCSIOWZZNQTC-UHFFFAOYSA-N 316.386 2.850 0 50 DFAA COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccncc1 8997351 WKHREDIUWYMWOD-MRXNPFEDSA-N 320.352 2.871 0 50 DFAA Cc1ccccc1CN(CCN(C)C)C(=O)c1ccncc1F 55358455 CZWZXIJLFNIURY-UHFFFAOYSA-N 315.392 2.733 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 249682652 CDSIYYRAMVLLEG-HZPDHXFCSA-N 318.465 2.727 0 50 DFAA Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C 65528130 KVEOZGZPAVUHBK-UHFFFAOYSA-N 308.389 2.649 0 50 DFAA CN[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1 151014236 MQHMFCDTFPWAAV-HNNXBMFYSA-N 311.385 2.698 0 50 DFAA CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1ccnn1C 67974085 TXFCGTTYXDFIDE-CQSZACIVSA-N 309.373 2.691 0 50 DFAA Cc1csc(SCC(=O)N(C)CCc2ccncc2)n1 215950531 LZPWUCYMCUSQRM-UHFFFAOYSA-N 307.444 2.640 0 50 DFAA O=C(c1ccc(N[C@H]2CC[C@@H]3CCC[C@@H]32)nc1)N1CCOCC1 77565423 IJLGELZMWHNTRF-BPUTZDHNSA-N 315.417 2.545 0 50 DFAA CC1(C)CN(Cc2nc(CC(F)(F)F)no2)[C@H]1[C@H]1CCCO1 329768394 DRJGWMJOQFJYNT-SKDRFNHKSA-N 319.327 2.564 0 50 DFAA Cc1cncc(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)n1 359710767 XKIDBSUMSYVJMO-UHFFFAOYSA-N 320.400 2.954 0 50 DFAA C[C@@H](NC(=O)[C@@]1(C)CCCOC1)c1ccccc1-n1cccn1 331710370 CPRAQSDYTQLIIK-KDOFPFPSSA-N 313.401 2.866 0 50 DFAA O=C(c1cccc(CO)c1)N1CCC[C@@H](Oc2ccccc2)C1 365960632 KNBGHBYVIXSAHA-GOSISDBHSA-N 311.381 2.863 0 50 DFAA O=C(CCC(F)(F)F)Nc1ccccc1CN1CCOCC1 79659201 JOGGEIYUPHJRFP-UHFFFAOYSA-N 316.323 2.800 0 50 DFAA CCCOc1ccc(NC(=O)CCS(C)(=O)=O)cc1Cl 79123553 CFNPOXFYIZAQEZ-UHFFFAOYSA-N 319.810 2.502 0 50 DFAA COc1ccc([C@H](C)CC(=O)N2CC[C@](C)(C(=O)O)C2)cc1 237235988 PETHZHPYRJQMOP-PXAZEXFGSA-N 305.374 2.512 0 50 DFAA C[C@H](Cc1cccnc1)N1CCC(CCC(=O)NC2CC2)CC1 15076744 IYCPAFSQCIZVFU-OAHLLOKOSA-N 315.461 2.783 0 50 DFAA CN(CC[C@H]1CCCCN1C)C(=O)N[C@@H]1COc2ccccc21 174441346 ZMDBSTVFNSQRRT-GDBMZVCRSA-N 317.433 2.636 0 50 DFAA C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)N2C[C@@H]3CCC[C@H](C2)C3O)C1 239359590 AETUNCJTBKXBSL-DAUWQXBBSA-N 309.450 2.590 0 50 DFAA Cc1ccc(C)c(OCCN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 337239874 FCOOOBNGHHJNRD-KSZLIROESA-N 319.445 2.544 0 50 DFAA O=C(N[C@@H](c1ccccc1)C(F)F)N1CCN(C2CCC2)CC1 455594928 JMAHKJGYNJOXIG-HNNXBMFYSA-N 323.387 2.873 0 50 DFAA O=C(O)CCCNC(=O)CCn1ccc2ccc(Cl)cc21 40313110 BVEFXNATMRWYRG-UHFFFAOYSA-N 308.765 2.666 0 50 DFAA biogenic CN(C)[C@H]1CCCCN(C(=O)c2ccccc2N2CCCC2)C1 82098163 ZZUGKRZXSWGVJE-INIZCTEOSA-N 315.461 2.843 0 50 DFAA Cc1nn(C)c(C)c1S(=O)(=O)N(CC1CC1)c1ccccc1 176771926 HRJKVWKVYSSVJG-UHFFFAOYSA-N 319.430 2.642 0 50 DFAA COc1ccc(-c2nnc3sc(-c4cc(C)on4)nn23)cc1 44857362 CVDAQZCZZQHXJE-UHFFFAOYSA-N 313.342 2.825 0 50 DFAA Cc1ccccc1N1C[C@H](C)N(C(=O)Cc2ccccc2)CC1=O 82106196 FXHBSVGCNAKZRE-INIZCTEOSA-N 322.408 2.801 0 50 DFAA Cc1csc(CN(C)C(=O)[C@@H](C)Sc2ccccn2)n1 84977491 ZFTAMXWHTWWPJV-LLVKDONJSA-N 307.444 2.986 0 50 DFAA CCC[C@@H]1CN(Cc2ncc(C)c(OC)c2C)C[C@H]1N(C)C 82096348 OCILVDOGBORIHI-NVXWUHKLSA-N 305.466 2.869 0 50 DFAA Cc1ccc(Cc2ccccc2C(=O)NC2(C(=O)O)CC2)cc1 426359042 LANFHHNIAOTSBZ-UHFFFAOYSA-N 309.365 2.933 0 50 DFAA CCc1nn2c(nnc3c(=O)n(CC)ccc32)c1-c1ccccc1 40388304 FIMKROZYFXAEKI-UHFFFAOYSA-N 319.368 2.689 0 50 DFAA COCc1csc(C(=O)NC2CC(N3CCCCC3)C2)c1 614277752 DHNVNVZJVFNGBO-UHFFFAOYSA-N 308.447 2.641 0 50 DFAA CNCCN(C)C(=O)c1ccc(-c2ccc([C@@H](C)O)cc2)cc1 426593769 MNXRAJAMOGJKAD-CQSZACIVSA-N 312.413 2.698 0 50 DFAA Cc1ccc(Nc2nnc(S[C@H]3CCNC3=O)s2)cc1C 179005427 NKYFFMLTJUYUNS-NSHDSACASA-N 320.443 2.879 0 50 DFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)C1 179014042 CWIVYXCWOKPFBQ-HZPDHXFCSA-N 318.461 2.954 0 50 DFAA O=C(C1CC1)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)O)C1 426472987 TUOKHHADQAOLLQ-BXWFABGCSA-N 313.397 2.894 0 50 DFAA C[C@@H]1CN(C(=O)NCCc2ccccc2)CC[C@@]1(O)C1CCC1 91706736 RUXTZGJOIYMGKQ-BEFAXECRSA-N 316.445 2.812 0 50 DFAA COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H]3CCC[C@H]3N1CC2 247932738 GFMRLSXLFYOCEG-YUELXQCFSA-N 301.386 2.745 0 50 DFAA Cc1cccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c1 182567156 YVLMHKWYMDCPAH-UHFFFAOYSA-N 320.418 2.893 0 50 DFAA COc1ccc([C@@H]2CCN(Cc3ncnn3CC(C)C)C2)cc1 182722989 FPXBULDGWIHKOF-MRXNPFEDSA-N 314.433 2.932 0 50 DFAA N[C@H](C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)c1ccccc1 299753237 XKFQPMPTGPVGNV-QYZOEREBSA-N 324.424 2.801 0 50 DFAA CC(C)c1ccc([C@H](N)CNC(=O)c2cccc(CO)c2)cc1 864092323 OYKLHVJQNIITLH-GOSISDBHSA-N 312.413 2.732 0 50 DFAA Cc1cc(=O)cc(C(=O)N[C@@H](CC(C)C)c2cccnc2)o1 299776117 KLTHAAAIBNPCFA-HNNXBMFYSA-N 300.358 2.860 0 50 DFAA Cc1cc(C)nc(NCc2ccccc2CN2CCCC2=O)n1 298267402 FYQCSTLBQNNEQU-UHFFFAOYSA-N 310.401 2.828 0 50 DFAA CCCC(=O)Nc1cccc(NC(=O)N2CCCN(C)CC2)c1 299784406 GSMWCDMWLAKKSI-UHFFFAOYSA-N 318.421 2.595 0 50 DFAA CCCc1nc(NC[C@@H]2COc3cc(OC)ccc3C2)no1 823023325 KJDHGOZOEBWSOQ-LLVKDONJSA-N 303.362 2.694 0 50 DFAA CCCc1nc(C)cc(NC[C@H]2CC[C@H](C(=O)NC)CC2)n1 823015249 BDWKFBQDNHMDBJ-HDJSIYSDSA-N 304.438 2.702 0 50 DFAA C[C@@H]1CCc2c(sc3nc(Cc4cnc[nH]4)nc(O)c23)C1 585137354 UJMSIQZRSUIHAS-MRVPVSSYSA-N 300.387 2.836 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CCC(CC)(CC)CC2)CC1 1875365421 DAVNYZLYWOEMOW-UHFFFAOYSA-N 306.450 2.840 0 50 DFAA Oc1nc(O)c2c(n1)CN([C@@H]1CCc3c(Cl)cccc31)CC2 1875307866 NVLLYAZYRKAPDL-CQSZACIVSA-N 317.776 2.587 0 50 DFAA O=C(c1ccc2c(c1)CC2)N1CCC[C@@H]1Cn1cc(C2CC2)nn1 1875323706 PVARYBNVBKVGLI-QGZVFWFLSA-N 322.412 2.559 0 50 DFAA Cc1cc(C)cc([C@@H](O)Cn2cnc(C(C)(C)C)cc2=O)c1 952846941 JAXWYMMWKODQQJ-HNNXBMFYSA-N 300.402 2.891 0 50 DFAA CCOc1ccc2cc(C(=O)N3CC[C@@H](F)[C@H](OC)C3)[nH]c2c1 1875298576 GKCCNTHOGDCNDE-CZUORRHYSA-N 320.364 2.766 0 50 DFAA O=C(c1cc[nH]c1)N(CCOc1ccccc1)C[C@H]1CCCO1 952971963 NDUPBUOTXYNNII-QGZVFWFLSA-N 314.385 2.715 0 50 DFAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc2c1CCC2=O 952970640 WDRAEQHHHQQBDQ-ZDUSSCGKSA-N 301.386 2.847 0 50 DFAA COC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 170627065 IBNBYQIAHWDNJU-HBUWYVDXSA-N 322.449 2.796 0 50 DFAA Cn1cncc1CC(=O)NC1(c2c(F)cccc2F)CCCC1 585117855 MDOAWGDIDNFRMP-UHFFFAOYSA-N 319.355 2.827 0 50 DFAA C[C@@](CO)(NC(=O)c1cc[nH]c1)c1cccc(C(F)(F)F)c1 585112980 PZSHTEQHNCPPDY-AWEZNQCLSA-N 312.291 2.671 0 50 DFAA CC1CCC(NC(=O)[C@@H](C)N2CCc3ccc(O)cc3C2)CC1 408205395 XUKLPVKCICJMDA-XOYHFGRZSA-N 316.445 2.834 0 50 DFAA CCN(C(=O)c1nc(C)oc1C)[C@H](C)[C@@H](O)c1ccccc1 408521923 AKWUVDHCYBHLIP-BDJLRTHQSA-N 302.374 2.876 0 50 DFAA C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccccc1)CC(C)(C)O 190011919 VXDIDQBFFIBQPY-GOEBONIOSA-N 305.418 2.601 0 50 DFAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc(Cn2cc(C3CC3)nn2)n1 190359569 APAIOEZPTPGCQA-FZMZJTMJSA-N 317.393 2.505 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCc2ccccc2C)C1 644119567 VNIDLKMNLCOHKV-CVEARBPZSA-N 313.401 2.639 0 50 DFAA CNC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1 193284957 FSPOSCJBPNKIHE-UHFFFAOYSA-N 300.383 2.849 0 50 DFAA O=c1cc(CO)occ1OCc1ccccc1C(F)(F)F 194654429 NZKLTTQVYJBQOD-UHFFFAOYSA-N 300.232 2.730 0 50 DFAA CC(C)(C[C@@](O)(CN)C(F)(F)F)c1cccc2c1OCC2 113528533 FPKQZZQJFCNMIL-CQSZACIVSA-N 303.324 2.541 0 50 DFAA Fc1cc2c(cc1Br)N(Cc1ncccn1)CCO2 339797702 HZJOCHJVZVRHQK-UHFFFAOYSA-N 324.153 2.777 0 50 DFAA c1cncc(-c2csc(N[C@@H]3CCO[C@@]4(CCOC4)C3)n2)c1 1615044467 CRYKIPYRHFEXRU-CJNGLKHVSA-N 317.414 2.955 0 50 DFAA O=C(CCn1c(=O)oc2ccccc21)N1CCc2ccccc2C1 4121518 CNBVRNHVEMMNAB-UHFFFAOYSA-N 322.364 2.570 0 50 DFAA NC(=O)c1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1 1772817187 LRACLWQXNNFQLR-UHFFFAOYSA-N 305.337 2.668 0 50 DFAA Cc1cc(N2CCC3(CC2)CN(C)CCO3)c2ccccc2n1 1772819632 XOIBFFSCAZSDGU-UHFFFAOYSA-N 311.429 2.844 0 50 DFAA CC(C)CCC[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)CCO1 12306257 LDPAGARWIMDOQB-CQSZACIVSA-N 316.405 2.625 0 50 DFAA O=C(CCCc1ccccc1)N1CCN(Cc2ccco2)CC1 16604722 GODALCQQBJCPCE-UHFFFAOYSA-N 312.413 2.947 0 50 DFAA O=c1/c(=C\c2cccc(F)c2)sc2nc(-c3ccccc3)nn12 16730871 UKMUSQXOJFAGMW-GXDHUFHOSA-N 323.352 2.505 0 50 DFAA Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c(C)c1 4511983 OSCSVKXKTGQHNT-UHFFFAOYSA-N 321.380 2.732 0 50 DFAA Cn1cc(CCC(=O)Nc2cscc2Br)cn1 408522293 GZVRPMANRWFXJI-UHFFFAOYSA-N 314.208 2.815 0 50 DFAA COc1cc(CN[C@H]2c3ccccc3CC[C@H]2CO)ccc1O 225670734 GXUGIIDWBXFUMU-HNAYVOBHSA-N 313.397 2.786 0 50 DFAA N[C@H]1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 238061631 MEXSKOKFKXDEPK-JTQLQIEISA-N 321.833 2.566 0 50 DFAA COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1c(C)oc2ccccc12 344810698 GZYVMDNZLXLQLP-KBPBESRZSA-N 317.385 2.546 0 50 DFAA Cc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 247862208 GOFZGWHLPKLCJQ-KGLIPLIRSA-N 307.777 2.831 0 50 DFAA Cc1cccc(C)c1OC1CCN(C(=O)[C@@H]2CCC[C@@H]2N)CC1 152226120 QTJDVNHFRBNZEP-SJORKVTESA-N 316.445 2.801 0 50 DFAA Cc1nc(NC(=O)[C@@H](C)CN)sc1Cc1ccc(F)cc1 262621777 ZQSPCNWHWWDKJE-VIFPVBQESA-N 307.394 2.715 0 50 DFAA Cc1cc(C(=O)N(C)C)ccc1Nc1ncc(C)c(N(C)C)n1 2100534576 OFAYFXKNUSMYDH-UHFFFAOYSA-N 313.405 2.605 0 50 DFAA c1cnc2ccc(Cn3cc(C[C@@H]4CCCCN4)nn3)cc2c1 2325766171 QFWQSLPYRQPDHQ-INIZCTEOSA-N 307.401 2.559 0 50 DFAA C[C@@H](O)Cc1nccn1Cc1nc2ccccc2n1C(F)F 2325879783 ICLOCKPJIZVJJJ-SNVBAGLBSA-N 306.316 2.600 0 50 DFAA CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCC2 61423 WREGCOFTEZTKMB-LLVKDONJSA-N 323.414 2.921 0 50 DFAA COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CC[C@@H](C)C2 87753 BTPPXHVFAFFOAJ-MWLCHTKSSA-N 323.414 2.777 0 50 DFAA O[C@@H](CNC[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21 277126 JPUNTPUYBIWRFB-JKSUJKDBSA-N 324.424 2.924 0 50 DFAA CCC(=O)c1ccc(OC[C@@H](O)Cn2nc(C)cc2C)cc1 4247840 HWRWMUYAFYXWPY-HNNXBMFYSA-N 302.374 2.533 0 50 DFAA CC(=C\C(=O)O)/C(=C\c1ccc(Br)cc1)C(=O)O 4770285 ZNIGSYWPHSYEND-JMFBPXTISA-N 311.131 2.948 0 50 DFAA CCSc1nc(CC(=O)N[C@H](CC)c2cnn(C)c2)cs1 55243343 MELJSRRLWNOUOD-GFCCVEGCSA-N 324.475 2.799 0 50 DFAA CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1 10544230 PIYAGMWNPWUJSI-QGZVFWFLSA-N 324.490 2.761 0 50 DFAA Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 247820241 GDHXEWIVGXFWFA-BFHYXJOUSA-N 315.442 2.796 0 50 DFAA CC(C)(C)OC(=O)N1CC(CC(=O)O)(c2ccc(F)cc2)C1 309998811 CWXLGNMFLVDBCS-UHFFFAOYSA-N 309.337 2.789 0 50 DFAA COc1ccc(C(=O)Oc2c(OC)cc(C=O)cc2OC)cc1 336162 HNGSPBVZUQLTCB-UHFFFAOYSA-N 316.309 2.744 0 50 DFAA CCn1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 2804492 JYGZFTZWTZCWME-JTQLQIEISA-N 313.810 2.596 0 50 DFAA CN(CC(=O)N1CCCN(C2CCCC2)CC1)c1ccccc1 77422203 OGTSCMCXQZMGPM-UHFFFAOYSA-N 315.461 2.600 0 50 DFAA Cc1cc(N(C)Cc2ccccc2CN(C)C)n2nccc2n1 72453495 KERJAVSMZILVQQ-UHFFFAOYSA-N 309.417 2.736 0 50 DFAA O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCC[C@@H]1CO 153863758 SRDLXIIRAUKUHV-MGPQQGTHSA-N 324.218 2.536 0 50 DFAA O=C(CC(F)(F)F)N1CCC[C@@]1(CO)Cc1ccccc1 365149259 GWBFBTKDFRMYDK-AWEZNQCLSA-N 301.308 2.535 0 50 DFAA CN(Cc1csc(-c2cccs2)n1)C(=O)[C@H]1CCOC1 72432368 LDZJBHAXCUEYSZ-JTQLQIEISA-N 308.428 2.867 0 50 DFAA COc1ccc(C[C@@H]2CC[C@H](CN3CCCOCC3)O2)cc1F 72433764 QKHHGBLLBUULKR-JKSUJKDBSA-N 323.408 2.647 0 50 DFAA COc1cc(C)ccc1OCCC(=O)N1CCCC[C@@H]1[C@@H](C)N 237107837 JYBFVCSRFGZRIO-HUUCEWRRSA-N 320.433 2.501 0 50 DFAA CCc1noc([C@@H](C)N2CCOc3cc(OC)ccc3C2)n1 374776990 MBKNRSCVPZLZJS-LLVKDONJSA-N 303.362 2.596 0 50 DFAA O=C(CN1CCC[C@H]1/C=C/c1cccs1)NCC(F)(F)F 375173297 AHXZJDGZDRLNRH-QRGHLMKCSA-N 318.364 2.904 0 50 DFAA O=C(O)Cc1csc(NC(=O)c2cccc3[nH]ccc23)n1 238141267 IAUJHIBYIZLKFZ-UHFFFAOYSA-N 301.327 2.504 0 50 DFAA C[C@H](N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 130166372 QWJBRAJWLHSRDC-QEJZJMRPSA-N 322.453 2.907 0 50 DFAA O=C(NC[C@H]1COCCO1)c1cc(C(F)(F)F)ccc1Cl 215257624 FEXFJOIPPPYFAE-VIFPVBQESA-N 323.698 2.504 0 50 DFAA NC(=O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 130445262 NDISOHBBWAMQAW-QGZVFWFLSA-N 323.396 2.938 0 50 DFAA C[C@H](Cc1cnccn1)NC(=O)c1csc2c1CCCC2 223210332 FUFQFCGPRDOOKJ-LLVKDONJSA-N 301.415 2.778 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)/C=C(/c1ccccc1)C(F)(F)F 237611253 IOAXCBYYEOSWCT-LCZUYKTBSA-N 312.335 2.971 0 50 DFAA O[C@H](CN[C@H](c1ccc(F)cc1)C1CCCC1)Cn1cccn1 180300246 SUBHINOISMJIFM-MSOLQXFVSA-N 317.408 2.904 0 50 DFAA c1ccc(Oc2ccc(CN[C@H]3CCc4ncnn4C3)o2)cc1 180899529 JVUJQAJVZZFXPI-ZDUSSCGKSA-N 310.357 2.768 0 50 DFAA COC(=O)CCC1CCN(c2nc3c(s2)c(C)nn3C)CC1 95530482 XJMWXAPBVXVUKI-UHFFFAOYSA-N 322.434 2.508 0 50 DFAA 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Cc1cc(F)ccc1N1CCC(NC[C@H]2CCCN2C)CC1 584896260 QJVPJQWVAWCBTP-QGZVFWFLSA-N 305.441 2.787 0 50 DFAA O=C(O)c1cc(NCC[C@H]2CCCOC2)nc2ccccc12 584890366 BHWPBHNQNAPULA-GFCCVEGCSA-N 300.358 3.162 0 50 DFAA O=C(O)c1csc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 585134075 CVGXVUYRVIEFSI-GFCCVEGCSA-N 320.414 2.904 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1OC 1875396621 OTIURQLJAMBZGM-NOXHYTERSA-N 305.422 2.570 0 50 DFAA O=C(c1ccncc1)c1ccc(OC[C@H]2C[N@]2CC2CC2)cc1 1875381735 GAWPUQZFOYBTFO-UTKZUKDTSA-N 308.381 2.786 0 50 DFAA c1nc(SCCNCc2ccc([C@H]3CCCCO3)o2)n[nH]1 952872408 NYGJOGREQYXFHQ-GFCCVEGCSA-N 308.407 2.521 0 50 DFAA CCc1nc2ccc(N[C@@H]3CCCS(=O)(=O)C3)cc2s1 895108247 RCTPHFQFPPCEBO-LLVKDONJSA-N 310.444 2.848 0 50 DFAA O=C(NC1C[C@@H]2CC[C@H](C1)S2)c1ncnc2ccsc12 888371241 JDQNUXKHGMYLGO-PBINXNQUSA-N 305.428 2.848 0 50 DFAA CN(CC(=O)NC1CC1)c1ccc(-c2ccccc2Cl)nn1 891575010 WQXDDYICAMCRTM-UHFFFAOYSA-N 316.792 2.512 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(Br)s2)C[C@H](C)O1 16603130 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2.937 0 50 DFAA Cc1cnccc1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 188141731 LGCUCBFUBNZFJW-KRWDZBQOSA-N 314.360 2.672 0 50 DFAA Cn1cc(-c2ccc(C(=O)N3CCC[C@H]3C(F)(F)F)o2)cn1 637565233 XTVFWGYYEGROMA-LBPRGKRZSA-N 313.279 2.847 0 50 DFAA C[C@](O)(CNC(=O)Cc1cccc2ccccc12)c1ccco1 304349205 DUSYWHKYGWCLFJ-IBGZPJMESA-N 309.365 2.999 0 50 DFAA C[C@@H](C(=O)N(C[C@H](O)CC(C)(C)C)C1CCN(C)CC1)C1CC1 408516549 DWYPFUAKHKZSNA-RHSMWYFYSA-N 324.509 2.752 0 50 DFAA COc1cccc(CNC(=O)c2cc(C)nc3ccccc23)n1 194616342 VCRXGXRGGLBFSZ-UHFFFAOYSA-N 307.353 2.877 0 50 DFAA O=C(NCCC[C@@H]1CCC[C@H]1O)c1c(F)ccc(F)c1F 195567586 AIWFQJITCNEQBE-JOYOIKCWSA-N 301.308 2.775 0 50 DFAA Cc1ccc(N2C[C@@H](NC3CSCCSC3)CC2=O)cc1 1506405592 CRFXSIHDTVTFAP-ZDUSSCGKSA-N 322.499 2.539 0 50 DFAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCc3ccnc(-c4ccccc4)c3)C[C@H]21 1615548490 STGLITLBQNHZNG-BSDSXHPESA-N 321.424 2.738 0 50 DFAA COC(=O)C1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 457084 SCHOBTPHAFOCHF-VOTSOKGWSA-N 307.777 2.765 0 50 DFAA CCCN(CCC)S(=O)(=O)c1ccc(OC)c(OC)c1 454204 GLZNXUSFGVIJHV-UHFFFAOYSA-N 301.408 2.515 0 50 DFAA CC[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(Cl)cc1C 1772818597 HTXZSJCKYZBHCC-STQMWFEESA-N 317.838 2.572 0 50 DFAA Cc1ccc(OCCCN(C)CC[C@@H]2COCCO2)c(C)c1 1775978413 SMEPXPOZDWZPAC-QGZVFWFLSA-N 307.434 2.810 0 50 DFAA Oc1ccccc1CCc1nnc2n1Cc1ccccc1OC2 1772807861 UOSJKEPIRVDNDZ-UHFFFAOYSA-N 307.353 2.710 0 50 DFAA OC[C@]12CCOC[C@H]1CN(Cc1cc(C3CCCCC3)no1)C2 1772708317 FQFPMTLMPWOOOS-CRAIPNDOSA-N 320.433 2.553 0 50 DFAA CC(C)N1CC(=O)N(C(C)C)C[C@H](OCc2ccc(F)cc2)C1 14744180 XWQWQUGYUMOHOR-QGZVFWFLSA-N 322.424 2.672 0 50 DFAA CN1CCN(Cc2ccc(OCc3ccccc3)cc2)CCC1=O 14982240 ZGDVNDFFPYNADG-UHFFFAOYSA-N 324.424 2.930 0 50 DFAA O=C(Nc1ccccc1)C(N1CCCCC1)N1CCCCC1 19326908 YWFROMFNPQIGDL-UHFFFAOYSA-N 301.434 2.923 0 50 DFAA CCN(CC)CCN(C)Cc1nc(Cc2ccccc2F)no1 19720914 KQCXVZYBCWUDCI-UHFFFAOYSA-N 320.412 2.573 0 50 DFAA COc1ccc(-c2nc(OC)nn2-c2ccc(OC)cc2)cc1 3816464 OBAICMYWONZOSZ-UHFFFAOYSA-N 311.341 2.960 0 50 DFAA CCOC(=O)c1cc(NC(=O)c2cc(C)no2)c(F)cc1C 225464810 XDRZSOURKNQQQE-UHFFFAOYSA-N 306.293 2.860 0 50 DFAA O=C(N[C@@H](C(=O)O)c1ccccc1)[C@@H]1CCc2ccccc2C1 322874844 RUILLMKYUNTNEY-IAGOWNOFSA-N 309.365 2.734 0 50 DFAA O=C(c1cc2ccccc2o1)N1CCC[C@H](Cn2ccnn2)C1 125084188 XOXYFADQOHASQE-ZDUSSCGKSA-N 310.357 2.577 0 50 DFAA C[C@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)s2)CCN1 237583286 PCXJHKUKJWDWFS-JTQLQIEISA-N 321.833 2.897 0 50 DFAA CCO[C@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1 245668401 HLPQMTNHCPWEEH-KURKYZTESA-N 311.381 2.539 0 50 DFAA C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Cn1ccnc1 153628277 DLPRZHNMICJPCX-LLVKDONJSA-N 309.772 2.671 0 50 DFAA Cc1ccccc1NC(=O)N1CCC(N2CCCC2=O)CC1 264239379 ASLWSTRYDVZRBG-UHFFFAOYSA-N 301.390 2.614 0 50 DFAA O=C(O)c1ccc2c(c1)CN(Cc1nc3c(s1)CCC3)C2 901647612 JDCCJZGRVKDACA-UHFFFAOYSA-N 300.383 2.846 0 50 DFAA CC[C@H]1C(=O)NCCCN1Cc1oc(-c2ccccc2)nc1C 933235450 XTVIKJOVFIRMPE-HNNXBMFYSA-N 313.401 2.751 0 50 DFAA O=C(c1nncc2ccccc12)N1CCC[C@H]1C1CCOCC1 935262698 DJSWPCRZLGOPFS-INIZCTEOSA-N 311.385 2.661 0 50 DFAA OC[C@H](NCc1ccc(Br)o1)c1ccsc1 225387975 YIDZCVSFUYPOJG-JTQLQIEISA-N 302.193 2.927 0 50 DFAA O=C(CSc1nc2ccccc2s1)NC[C@@H]1CCCO1 9239249 BBPGGERCLTUSPB-JTQLQIEISA-N 308.428 2.684 0 50 DFAA O=C(NC(=O)c1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12 3629096 FXQQNYZQTADODM-JKSUJKDBSA-N 316.401 2.818 0 50 DFAA Cc1cnc(N=c2cc(-c3ccc(F)cc3)[nH][nH]2)nc1N(C)C 2100473658 RSKYYUDFWIKJRY-UHFFFAOYSA-N 312.352 2.546 0 50 DFAA N=c1cc2c(-c3cccc(CO[C@@H]4CCOC4)c3)cccn2[nH]1 2325773069 OHCHOVKWGRFGND-OAHLLOKOSA-N 309.369 2.719 0 50 DFAA O=C(CCc1ccc(O)nc1)N1CCC[C@@H]([C@@H]2CC2(F)F)C1 2325797706 NHKKQWGYSPDVLP-OLZOCXBDSA-N 310.344 2.614 0 50 DFAA O=C(O)c1csc(NC(=O)[C@H]2C[C@H]3C[C@@H](O)C[C@H](C3)C2)c1 2325808364 TYUKHECOANYZGZ-QUTAIBBBSA-N 309.387 2.572 0 50 DFAA CCn1ncc2cc(C(=O)N3C[C@H](C)Nc4ccccc43)cnc21 2325813545 XHEKYVRQIBLBGZ-LBPRGKRZSA-N 321.384 2.912 0 50 DFAA CN(Cc1cccc2[nH]ccc12)C(=O)Cc1cnc(C2CC2)[nH]1 2325816657 QGJKNLDJYXQBJD-UHFFFAOYSA-N 308.385 2.970 0 50 DFAA COc1cnnc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)c1 2325824694 MQQSIKKJNQKIPS-UHFFFAOYSA-N 323.356 2.540 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@]34CCCN(CC3)C4)cc2)c1C 897811930 CSZRQVJZUBFQKM-IBGZPJMESA-N 324.428 2.914 0 50 DFAA COc1cc(OC)cc(C(=O)NC(=S)N2CCCCCC2)c1 1049928 XMTWSBPMSFZJKW-UHFFFAOYSA-N 322.430 2.595 0 50 DFAA CCOC(=O)C[C@H](N)c1ccc(CC)c(Br)c1 3678310 RXSFWGRJYSOXPA-LBPRGKRZSA-N 300.196 2.965 0 50 DFAA CCCCNC(=O)N(O)[C@]1(C)SC(=S)N(C)C1(C)C 3876665 OBCJLULUQNULQN-GFCCVEGCSA-N 305.469 2.646 0 50 DFAA COc1ccc(C[C@H](N)c2ccc(OC)c(OC)c2)cc1OC 4027824 FOCRDATZPOZOFJ-AWEZNQCLSA-N 317.385 2.964 0 50 DFAA biogenic CC[C@@H](NC(=O)C1CCN(C(C)=O)CC1)c1ccc(C)cc1 6741231 DVZKZQCCKWBDSA-QGZVFWFLSA-N 302.418 2.821 0 50 DFAA CCn1nccc1CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 225574600 FWKWENKZFVCQTQ-RHSMWYFYSA-N 321.371 2.532 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@@H]2CCCS2)c1 134557924 BSDOZCRKADEHBB-LBPRGKRZSA-N 320.443 2.699 0 50 DFAA COCCN1CCC(n2cc(-c3cc(F)cc(F)c3)nn2)CC1 20821280 HAGXZSKQZQJBQF-UHFFFAOYSA-N 322.359 2.507 0 50 DFAA 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319.445 2.767 0 50 DFAA COCCC1(CNC(=O)c2ccc3nc(S)oc3c2)CC1 156904819 FPFBFAFSDZHREP-UHFFFAOYSA-N 306.387 2.663 0 50 DFAA Cc1c(NC(=O)N2[C@H]3CC[C@H]2COC3)cnn1-c1ccccc1 333826078 KAMYHTTUHDKYRT-GJZGRUSLSA-N 312.373 2.576 0 50 DFAA CN1C(=O)CCc2cc(C(=O)NC[C@H]3CCCC3(F)F)ccc21 452805412 JBGPPVKXAYOJOJ-CYBMUJFWSA-N 322.355 2.761 0 50 DFAA CCOCC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 338141559 DWTLJDDJMXDGPE-UHFFFAOYSA-N 304.268 2.553 0 50 DFAA CC[C@@](C)(NC(=O)c1ncn(C(C)(C)C)n1)c1nc(C)cs1 291557447 UDHTWJJKUUFCGX-OAHLLOKOSA-N 321.450 2.853 0 50 DFAA O=C(c1conc1C1CC1)N1CCCN(c2ccccc2)CC1 289723011 UWEBGYACPSUSKG-UHFFFAOYSA-N 311.385 2.905 0 50 DFAA CCn1cc(CNC(=O)N2CC(C)(C)[C@H]2c2cccnc2)cn1 292074782 QJURCWNUHJYWCN-OAHLLOKOSA-N 313.405 2.591 0 50 DFAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 47977347 KBLOVYWSCHYZOZ-GFCCVEGCSA-N 323.824 2.981 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C(=O)NC1(c2ccccc2)CC1 426490542 LCWBKBICDRPRRH-UHFFFAOYSA-N 312.417 2.900 0 50 DFAA CSc1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1 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321.320 2.844 0 50 DFAA CCc1nc(C)sc1C(=O)N1CC(N2CCCC[C@@H]2C)C1 215005958 RVBCGHCVPOQIPK-NSHDSACASA-N 307.463 2.713 0 50 DFAA Cc1cc(C)n(Cc2ccc(-c3ccccc3C(N)=O)nc2)n1 215666677 LVGBJAYXTKOTND-UHFFFAOYSA-N 306.369 2.709 0 50 DFAA O=C(c1ccc2nccn2c1)N1CCCC[C@@H]1CCn1cccn1 222947433 CKBLSIHWTXFQQI-MRXNPFEDSA-N 323.400 2.616 0 50 DFAA CCCc1oncc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 82114380 GGLVQJUOLOQRQE-OAHLLOKOSA-N 308.422 2.886 0 50 DFAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H](C)Cn1cccn1 245968528 VBNNRNBPUAGAOL-IACUBPJLSA-N 303.431 2.809 0 50 DFAA COc1ccc(CCNC(=O)c2csc(NC(C)C)n2)cc1 40285192 ZIIWUVOAYGTZKX-UHFFFAOYSA-N 319.430 2.945 0 50 DFAA Cc1ccc2c(c1)c(CNC(=O)c1onc3c1CCCC3)nn2C 426668437 RXFKSBIPJDZWPR-UHFFFAOYSA-N 324.384 2.679 0 50 DFAA CC(=O)c1ccccc1-c1ccc(C(=O)N2CC[C@@H](N)C2)cc1 426641432 SVUXWMCUIDJYQH-MRXNPFEDSA-N 308.381 2.729 0 50 DFAA O[C@H](c1cc2n(n1)CCCN(CCc1ccccc1)C2)C1CC1 221198479 FIYALHWUQHQZHP-IBGZPJMESA-N 311.429 2.775 0 50 DFAA COCCc1nc(CNC(=O)Nc2ccc(C(C)C)cc2)no1 97546723 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302.403 2.510 0 50 DFAA COc1cccc([C@H](C)CC(=O)N2CCC[C@H](C(=O)O)C2)c1 128507742 NKRRWPPOUJAMDQ-OCCSQVGLSA-N 305.374 2.512 0 50 DFAA c1ccc2[nH]c(CN3CCC(N4CCSCC4)CC3)nc2c1 215011831 SKHIQNGKZBKOOQ-UHFFFAOYSA-N 316.474 2.576 0 50 DFAA COc1cccc2c(N3CCC(c4nncn4C)CC3)nccc12 450248789 ULODODQBNQYCIH-UHFFFAOYSA-N 323.400 2.756 0 50 DFAA CCc1cc(-c2nnc(SCC(=O)OC)n2CC)cs1 17032343 QHHGVBMNNQSZCV-UHFFFAOYSA-N 311.432 2.854 0 50 DFAA Cc1cc(C(=O)NCC(C)(C)CN(C)C)c2ccc(F)cc2n1 46124564 BGSCTNGQOSIWRY-UHFFFAOYSA-N 317.408 3.000 0 50 DFAA Cc1nnsc1CNC(=O)N1CCC[C@H]1Cc1ccccc1 292815233 ANUPMGJSQSGMMO-AWEZNQCLSA-N 316.430 2.763 0 50 DFAA COc1cccc(C[C@@H]2CN(C3CCSCC3)CCO2)c1 20453369 FIBVKYFHRSXTDF-QGZVFWFLSA-N 307.459 2.834 0 50 DFAA C[C@H](c1cccc(-c2[nH][nH]c3ncnc(=N)c2-3)c1)N1CCCC1 426509368 MCQLKGNZUWHVPX-LLVKDONJSA-N 308.389 2.541 0 50 DFAA CC(C)(C)C(=O)NCCNc1cncc(-c2cccs2)n1 293109306 QDWULWRSGLZKMY-UHFFFAOYSA-N 304.419 2.779 0 50 DFAA CCn1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cn1 293375929 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Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cncnc1N 185462454 FRDNFUMABNZVLW-SNVBAGLBSA-N 319.434 2.780 0 50 DFAA CN(C)c1ccc(-c2cccc(C(=O)N3CCC(N)CC3)c2)cc1 299777128 AAKPOPGJSAFQJT-UHFFFAOYSA-N 323.440 2.983 0 50 DFAA Cc1nc(C)c(CC(=O)N(C)Cc2cc(C3CC3)on2)s1 299757125 MYJTUTUZFSDCMF-UHFFFAOYSA-N 305.403 2.826 0 50 DFAA Cc1n[nH]c(C)c1CCN1CCC[C@H](C(=O)c2ccccn2)C1 299802127 XFACPWAHHMTWGL-HNNXBMFYSA-N 312.417 2.559 0 50 DFAA C[C@H]1Cc2cc(NC(=O)Cn3ncc4ccccc43)ccc2O1 827863953 KLTJTYNSVSKZMF-LBPRGKRZSA-N 307.353 2.998 0 50 DFAA CC(C)C1=NO[C@H](C(=O)N2CCCN(c3ccccc3)CC2)C1 584897923 KRWNWMSAICRTDE-KRWDZBQOSA-N 315.417 2.526 0 50 DFAA CCCc1ncncc1C(=O)NCc1ccccc1-n1ccnc1 670436556 GYCGYCAKXXVRQZ-UHFFFAOYSA-N 321.384 2.545 0 50 DFAA Cc1cnc(CN2CCC[C@H](c3nc4ccccc4n3C)C2)[nH]1 584898885 OORGKGZPZHVAPI-AWEZNQCLSA-N 309.417 2.984 0 50 DFAA C[C@H]1C[C@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)c2nccn21 868742428 XXCAQUKALNTVAC-CBAPKCEASA-N 305.769 2.573 0 50 DFAA C=CC(=O)N(CCC1(C)OCCO1)Cc1cccc(CC)c1 1875382043 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Nc1c(Cl)cc(NC(=O)c2cnn3ccncc23)cc1Cl 188709958 DVZYJVQTPOMBDH-UHFFFAOYSA-N 322.155 2.871 0 50 DFAA CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1cn[nH]c1 189070091 KDCUZGXYWUEQMJ-UHFFFAOYSA-N 313.279 2.580 0 50 DFAA CCS[C@@H]1CCCC[C@H]1NCCn1c(=O)oc2cccnc21 190048583 CXMLTZQDZBDSCJ-TZMCWYRMSA-N 321.446 2.643 0 50 DFAA O=C(O)C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 223823053 DVJDKPVQFCUAIP-UHFFFAOYSA-N 308.186 2.992 0 50 DFAA O=C1NC(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)N1 38964 XTSFEHDTTVYIAU-OQLLNIDSSA-N 312.300 2.585 0 50 DFAA CCC(CC)n1nccc1NC(=O)c1ccc(CCN)cc1 1529101634 IXHCUJAHLPOVLF-UHFFFAOYSA-N 300.406 2.998 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)Cc1nc(C(=O)O)co1 1529167657 PGNHHGOUTJPOAQ-UHFFFAOYSA-N 303.293 2.625 0 50 DFAA CC(C)(NC(=O)c1cccc2ccncc12)[C@H](O)C(F)(F)F 1615550105 VKJVDDALTOCZGL-ZDUSSCGKSA-N 312.291 2.666 0 50 DFAA COCCOC[C@H](C)Nc1cc(OC)c(Cl)cc1OC 1616034633 KSBQZAMFDJJOAN-JTQLQIEISA-N 303.786 2.821 0 50 DFAA CCOC(=O)c1ccc(NC(=S)Nc2cc(C)n[nH]2)cc1 5817618 SUMLWMNHCODASX-UHFFFAOYSA-N 304.375 2.704 0 50 DFAA CC(C)(C)NC(NC(C)(C)C)=C(/C=C(\Cl)[N+](=O)[O-])[N+](=O)[O-] 12381454 DZDGZBNSRLGWHL-VQHVLOKHSA-N 320.777 2.565 0 50 DFAA CCOC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21 2315136 WVMLZVVKQNCFED-UHFFFAOYSA-N 311.337 2.604 0 50 DFAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cl)cn1 1418812 XHKSBVHPXKIAIU-UHFFFAOYSA-N 305.790 2.791 0 50 DFAA Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccco4)nc3c12 6757131 AIWWOFHLXQYXLS-UHFFFAOYSA-N 324.388 2.517 0 50 DFAA OCC1(Cn2ccnc2-c2ccnc3ccccc23)CCOCC1 1857677173 RDZWHFZGPJCCQM-UHFFFAOYSA-N 323.396 2.887 0 50 DFAA CSc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 630030598 DNYAOUHMOMXXHO-GHMZBOCLSA-N 323.462 2.983 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)n[nH]1 331510156 FHQLWBNCCBMWKK-CJNGLKHVSA-N 317.364 2.620 0 50 DFAA O=C(CSc1n[nH]c(CCC2CCCC2)n1)N1CCCC1 141109873 ZENPUBXLOJOREX-UHFFFAOYSA-N 308.451 2.642 0 50 DFAA Cn1nc(C2CC2)cc1CNC(=O)Nc1ccc2c(n1)CCC2 931672823 GSLLEAJXRLRNHQ-UHFFFAOYSA-N 311.389 2.503 0 50 DFAA Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]2c2ccnn2C)c1 932271044 YREHPHRKQZWQAA-QGZVFWFLSA-N 312.417 2.813 0 50 DFAA COc1nccc(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)n1 932764764 OIZPUTHWHVYKOL-OAHLLOKOSA-N 311.385 2.641 0 50 DFAA CCC(CC)(CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)C(=O)O 851600151 CVEBUUBAHINHGN-LLVKDONJSA-N 305.374 2.631 0 50 DFAA OC1(c2ccc(Br)cc2)CCC2(CC1)OCCO2 21984633 QQRKZYWRDVOVKS-UHFFFAOYSA-N 313.191 2.954 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 4744932 YTPFRTYSEJJDOZ-JQWIXIFHSA-N 301.383 2.691 0 50 DFAA c1cncc([C@H]2CNCCN2Cc2cc3ccccc3cn2)c1 2325773097 SHDUGXXEKJXWQM-LJQANCHMSA-N 304.397 2.776 0 50 DFAA C[C@@]1(C(=O)O)CCCC[C@@H]1NC(=O)c1c(F)ccc2c1OCC2 2325807809 UFRMHNBRBFZXAY-YVEFUNNKSA-N 321.348 2.524 0 50 DFAA O=C(C[C@H]1CCCN1)Nc1ncc(Cc2ccc(F)cc2)s1 150753113 HMCZFWMOZIJMJH-CYBMUJFWSA-N 319.405 2.954 0 50 DFAA COc1cccc(CNCCN(C)C)c1OCc1ccccc1 20028299 SSWSBQDUODGBSK-UHFFFAOYSA-N 314.429 2.925 0 50 DFAA CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)c(N)c2)cc1N 142516 BXSFBWMUDQFSEB-UHFFFAOYSA-N 314.345 2.560 0 50 DFAA Cn1c(=O)c(-c2nc(O)c3ccccc3n2)c(O)c2ccccc21 8994774 UYYZRITWKXWUPR-UHFFFAOYSA-N 319.320 2.560 0 50 DFAA biogenic Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C)ccn3)CC2=O)c1 9096481 IDLVVJYORWWFRP-AWEZNQCLSA-N 309.369 2.690 0 50 DFAA CN(C)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 100634241 NHQBWSFVQPEGTC-KBPBESRZSA-N 304.777 2.775 0 50 DFAA CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1F 248082490 CXVSZUFYTHSHQC-CWRNSKLLSA-N 304.409 2.872 0 50 DFAA CCOC(=O)N1CCC(N[C@H](C)Cc2ncccc2C)CC1 65433845 ZVJVFDBYYNMTFI-CQSZACIVSA-N 305.422 2.532 0 50 DFAA Cc1nnsc1C(=O)Nc1ccc2oc(C(=O)O)cc2c1 439993537 ZYRVCISQDQNHCJ-UHFFFAOYSA-N 303.299 2.543 0 50 DFAA COc1c(F)ccc(C(=O)Nc2cnc3n2CCCC3)c1F 67677066 JGSPOAMIGWQEGP-UHFFFAOYSA-N 307.300 2.759 0 50 DFAA CCc1cnc(N2CCC(CO)(C[C@@H]3CCCCO3)CC2)nc1 67489589 JLINSMGUYFLTRM-INIZCTEOSA-N 319.449 2.577 0 50 DFAA CN(C)C(=O)c1cc(NC(=O)c2cccc3c2CCC3)ccn1 121348112 ULTDNAUACPLZNV-UHFFFAOYSA-N 309.369 2.524 0 50 DFAA Cc1ncc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)s1 252477610 RGYHFSQJTQLLIW-MGPQQGTHSA-N 321.446 2.598 0 50 DFAA Cn1cnc2cc(C(=O)O[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)ccc21 252486527 KURSUNGQDLBRGC-DAXOMENPSA-N 312.369 2.688 0 50 DFAA CC(C)(C)n1cc(C(=O)Nc2ccc(-c3ccccc3)nn2)nn1 252508177 XFQDGZTUQFVIIL-UHFFFAOYSA-N 322.372 2.742 0 50 DFAA C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC[C@H]1CCCO1 252512523 RVKAAPYDKZVRKU-MGPQQGTHSA-N 300.443 2.837 0 50 DFAA Cc1[nH]c2ccccc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O 140314 SSBKMAUQXWUARS-KRWDZBQOSA-N 302.374 2.958 0 50 DFAA CC(C)c1nnc2n1CCN(CCCO[C@@H]1CCCCO1)[C@@H]2C 253392877 YZCBMGBXIVBJKS-HUUCEWRRSA-N 322.453 2.711 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1ccnnc1 215265829 RUYIGDMPZKLKBM-UHFFFAOYSA-N 314.776 2.892 0 50 DFAA CCCN(C(=O)c1cccc(O)n1)[C@H]1C[C@H](OCC)C1(C)C 329902245 PGGZCOAMXZMCAI-KBPBESRZSA-N 306.406 2.843 0 50 DFAA O=C(NC[C@H]1CCCS1)c1ccc(-c2nnc(S)o2)cc1 124642647 RDYLPBKKAIARSP-LLVKDONJSA-N 321.427 2.651 0 50 DFAA Cc1ccc2oc(C(=O)N[C@H]3CC(=O)N(C(C)C)C3)c(C)c2c1 77541126 FKPWKSRHJZJDDC-ZDUSSCGKSA-N 314.385 2.789 0 50 DFAA Cc1nc2ccccc2n1CCc1noc([C@@H]2CCCOC2)n1 333225144 SQIWWRNXWJKVJE-CYBMUJFWSA-N 312.373 2.864 0 50 DFAA COc1cccc2c1OC[C@@H](C(=O)N1CC(C3CCC3)C1)C2 367663999 BIMQWLMUFXKSEY-AWEZNQCLSA-N 301.386 2.505 0 50 DFAA CN(C(=O)NCc1nc(C(C)(C)C)n[nH]1)C1CCCCCC1 333607110 NLILXMHUZQQJLL-UHFFFAOYSA-N 307.442 2.966 0 50 DFAA Cc1cc2ncnc(N3CC[C@@H](C(=O)N4CCCC4)C3)c2cc1C 606442579 GQMRFWWZNUAOIO-OAHLLOKOSA-N 324.428 2.695 0 50 DFAA CC(C)N[C@@H]1CC[C@@H]1NC(=O)c1ccc(N2CCCCC2)cc1 72126609 MXULXSCFDZEZHZ-MSOLQXFVSA-N 315.461 2.936 0 50 DFAA Cc1nccn1-c1ccccc1Cn1ccnc1[C@H]1CCOC1 72166249 UUSYODMGLVGIEB-INIZCTEOSA-N 308.385 2.929 0 50 DFAA O=C(CCC1CCNCC1)N[C@@H]1C[C@@H]1c1c(F)cccc1F 237789532 IFRWPIFVVYKONF-SWLSCSKDSA-N 308.372 2.717 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2CCC(=O)O)n1 262114777 FPEGWBHXKSETOD-CABCVRRESA-N 321.421 2.697 0 50 DFAA C[C@H](Cc1cnccn1)Nc1nccc(CCC(F)(F)F)n1 71759227 AAFZJOAXSGGNDY-SNVBAGLBSA-N 311.311 2.805 0 50 DFAA O=C(Cn1ccc2ccccc21)Nc1ccnn1C[C@@H]1CCOC1 123464849 YAMIRZXLPJAEKJ-AWEZNQCLSA-N 324.384 2.513 0 50 DFAA CCc1nc(CC(=O)Nc2cccc(CCC(=O)O)c2)cs1 262394532 MTASWIGCLCLCFS-UHFFFAOYSA-N 318.398 2.904 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(N[C@@H](C)CO)nc2)n1 72428990 IVXLBNGFYHCNFI-LBPRGKRZSA-N 310.357 2.900 0 50 DFAA CC(C)[C@H]1CN(Cc2ccncc2)CCC(=O)N1CC1CC1 71760155 JDFJYVXYSMVTTB-QGZVFWFLSA-N 301.434 2.551 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1C 72441577 HFWJNGUUBQJJBO-OIISXLGYSA-N 305.418 2.833 0 50 DFAA COc1ccc2occ(C(=O)N3CCN(C)C[C@@H]3C(C)C)c2c1 337648136 JPDRVXRMFMMPTK-MRXNPFEDSA-N 316.401 2.854 0 50 DFAA Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CC(C)(C)OC1(C)C 178619339 QGWWJJIVIFLZPR-HZPDHXFCSA-N 321.461 2.979 0 50 DFAA CN(C)[C@H]1CCCCN(C(=O)c2ccc3c(c2)CCCO3)C1 82099408 FWLDVGHRVUCLHR-INIZCTEOSA-N 302.418 2.568 0 50 DFAA Cn1cc(CC(=O)NCC2(Cn3cccn3)CC2)c2ccccc21 222535759 IDFAAKLAUHAQJO-UHFFFAOYSA-N 322.412 2.514 0 50 DFAA COCc1nc(CNc2ccc(F)cc2OCC2CC2)no1 182510700 OYLAXWRHPKQHRT-UHFFFAOYSA-N 307.325 2.756 0 50 DFAA O=C(O)[C@@H]1CN(CCC(F)(F)F)C[C@H]1c1cccc(F)c1 91931369 LNXUDMOYTWKCCR-NWDGAFQWSA-N 305.271 2.878 0 50 DFAA CCN(CCOC)C(=O)c1cc(C)nc2cc(OC)ccc12 426380361 KFKMENDXXBKGFI-UHFFFAOYSA-N 302.374 2.660 0 50 DFAA Cc1cc2nc(C(=O)N3CC[C@@H]3c3cccs3)cc(C)n2n1 97346810 KMHICSMTYCLTCE-CYBMUJFWSA-N 312.398 2.995 0 50 DFAA CCCOc1ccc(C(=O)N(C)Cc2nncn2C(C)C)cc1 91306104 OTAJCUXVHZORGI-UHFFFAOYSA-N 316.405 2.920 0 50 DFAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 91390924 IMIOADFJFZANDK-HNNXBMFYSA-N 313.401 2.937 0 50 DFAA Cc1ccc2c(C)c(C(=O)NC[C@H](O)c3ccncc3)oc2c1 91908475 LKHGRSFNXASVCR-HNNXBMFYSA-N 310.353 2.908 0 50 DFAA CN(C)C(=O)Cc1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1 96136748 UVLHKIWEYIAGLU-UHFFFAOYSA-N 322.408 2.877 0 50 DFAA CSc1ccc(CC(=O)N2CC[C@](C)(O)C(C)(C)C2)cc1 91644233 WTGIKASIXMOFNF-KRWDZBQOSA-N 307.459 2.961 0 50 DFAA Cc1c(Cl)cccc1OCC(=O)N1CCC[C@H]([C@@H](C)N)C1 299739160 LHHXXGUJCOARDF-OLZOCXBDSA-N 310.825 2.613 0 50 DFAA Cc1ccc2[nH]cc(CCC(=O)N(C)c3nncs3)c2c1 184302788 GFHUMVVFLVVBCS-UHFFFAOYSA-N 300.387 2.923 0 50 DFAA O=C(O)c1ccc(F)c2c1CN(CCC[C@H]1CCOC1)CC2 629368355 WCHDLWJJCLDPKP-LBPRGKRZSA-N 307.365 2.699 0 50 DFAA O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCN1Cc1ccccc1 371757225 MTWZINMWXOVQDC-HNNXBMFYSA-N 310.353 2.628 0 50 DFAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc2ncsc12 1940196279 XJGIOPOBUUSASD-CABCVRRESA-N 310.378 2.684 0 50 DFAA C[C@@H](NC(=O)c1nc(N)nc2c1CCCC2)C1=CCCCC1 827587310 DFSKRGBBJXRJFF-LLVKDONJSA-N 300.406 2.556 0 50 DFAA CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(C)cn1 584895598 UHSGYFXXIOELFQ-HNNXBMFYSA-N 313.401 2.518 0 50 DFAA Cc1cc(C(F)(F)F)nc(CNC2CSCCSC2)n1 670459024 DJLKPSQQKPQXRY-UHFFFAOYSA-N 323.409 2.742 0 50 DFAA O=c1[nH]c(Cc2c[nH]c3ncccc23)nc2sc3c(c12)CCC3 165041362 CLNGJPCBVMKPPI-UHFFFAOYSA-N 322.393 2.940 0 50 DFAA O=C([C@H]1CCCn2cnnc21)N1CC2(CCC2)[C@@H]1c1ccccc1 1875294013 KPUANSHAZGQGIL-HOTGVXAUSA-N 322.412 2.909 0 50 DFAA C=CC(=O)N[C@@H]1CCN(Cc2cc(-c3ccc(C)cc3)no2)C1 1875383704 CYOOKUAHTPMDAT-OAHLLOKOSA-N 311.385 2.527 0 50 DFAA COC(=O)C(C)(C)[C@H](N[C@H](C)[C@H]1CCOC1)c1ccccc1 952882853 KVPTXSDREXVIHS-VNQPRFMTSA-N 305.418 2.942 0 50 DFAA O=C(NCC1CCN(c2ncccc2F)CC1)c1ccccc1 952965778 GMNWAFHVDUZCPK-UHFFFAOYSA-N 313.376 2.867 0 50 DFAA CC(C)[C@@H](O)CN1CCC2(CCc3ccccc3C2=O)CC1 888094304 GQWPKTNKPBINCD-KRWDZBQOSA-N 301.430 2.915 0 50 DFAA CCO[C@@]1(C)C[C@H]1NC(=O)N1CC[C@H](Cc2nc(C)cs2)C1 1775987212 VRUCVIKSJWFTOT-IOASZLSFSA-N 323.462 2.593 0 50 DFAA FC(F)(F)c1cccc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)n1 1775961551 JDONHNOIFDCDQO-BDAKNGLRSA-N 313.283 2.551 0 50 DFAA CCc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)cc1 169302610 CBDMMLUXXBUSJP-NYXISSTPSA-N 311.381 2.956 0 50 DFAA Cc1cccc(CC(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)c1 170606158 DXILNBRGPVQDOB-IBGZPJMESA-N 308.381 2.537 0 50 DFAA CCS[C@@H]1CCCCN(C(=O)c2cc(C)nc(NC)n2)C1 280860709 XCPXISPXHPCOCE-GFCCVEGCSA-N 308.451 2.575 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CC[C@H](C3CCOCC3)C2)c1 634692076 UBUBTZKUEWIELL-DOTOQJQBSA-N 319.401 2.569 0 50 DFAA O=C(c1cnccc1Oc1ccccc1)N1C[C@@H]2CC[C@H](C1)O2 669707643 XLMHIQTUVPHQAV-GASCZTMLSA-N 310.353 2.877 0 50 DFAA O=c1[nH]nc(-c2nc(COc3ccccc3)no2)c2ccccc12 109485323 LFIWMRDOSPZCMY-UHFFFAOYSA-N 320.308 2.552 0 50 DFAA CC(C)c1nnc(N2CC[C@H](OCc3ccncc3)C2)s1 192907616 JIZFAOZENHQWCV-ZDUSSCGKSA-N 304.419 2.852 0 50 DFAA Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](N)C3)s2)o1 195119308 FXSTYNXMIPCXRB-NSHDSACASA-N 305.403 2.583 0 50 DFAA CS[C@@H](CO)[C@H](C)NCc1sccc1Br 195564538 CQAMGOOGYZYQDR-XVKPBYJWSA-N 310.282 2.713 0 50 DFAA C[C@@H](CNC(=O)CCC1CCCCCC1)CN1CCOCC1 654820230 MBJJNKJPXJFLCV-INIZCTEOSA-N 310.482 2.822 0 50 DFAA NC(=O)c1ccc(CCc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc1 656050707 GDYDOJFLUYIEQA-RRFJBIMHSA-N 311.385 2.857 0 50 DFAA CCCCSCc1nc(-c2ccc(C(=O)N(C)C)nc2)no1 762243626 SDKKXGDJIFYSAI-UHFFFAOYSA-N 320.418 2.867 0 50 DFAA CC(C)n1ccc(CC(=O)Nc2ccc(C(=O)O)c(Cl)c2)n1 766859967 AEDKGNQMERAPTJ-UHFFFAOYSA-N 321.764 2.997 0 50 DFAA O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2 550548 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Cc1oc2ccccc2c1C(=O)N1CCC[C@H]1Cn1ccnn1 299745613 RKEHEKNWFXCCNF-ZDUSSCGKSA-N 310.357 2.638 0 50 DFAA CC[C@H](NC(=O)c1cc(=O)cc(C)o1)c1nc(C)c(C)s1 299774864 IZLJMPLDSCYUCN-LBPRGKRZSA-N 306.387 2.903 0 50 DFAA O=C(NC[C@@H]1CCCN(Cc2ccoc2)C1)c1ccsc1 828196026 FVQUGTSPZYMPEI-ZDUSSCGKSA-N 304.415 2.983 0 50 DFAA Cc1ccc2c(=O)n([C@H](c3nccn3C)C3CC3)cnc2c1C 584893975 XAZYENHEMIAEEW-INIZCTEOSA-N 308.385 2.746 0 50 DFAA CC[C@H](NC(=O)c1csc(NC)n1)c1nc(C)c(C)s1 584901902 CDRBFFVMJFRRAR-VIFPVBQESA-N 310.448 3.139 0 50 DFAA COC(=O)[C@@H]1CC2(CCC2)CN1Cc1nc(C2CCCC2)no1 1875292765 RVKRBMXGHBGSIR-ZDUSSCGKSA-N 319.405 2.645 0 50 DFAA CO[C@H]1CCC[C@@H]1NCC1CCN(Cc2nc(C)c(C)o2)CC1 864234961 AOOKZGMBJSDNEV-IRXDYDNUSA-N 321.465 2.661 0 50 DFAA CCn1nc2c(c1C(=O)N1CC(CC3CC3)C1)C[C@H](C)O[C@@H]2C 1875313981 AUUHPZKZOGHFEQ-NWDGAFQWSA-N 317.433 2.797 0 50 DFAA O=C(N[C@@H]1CCC[C@H](OC(F)F)C1)c1cnnc2ccccc12 888092977 UDEZCPNFSXUOBC-MNOVXSKESA-N 321.327 2.910 0 50 DFAA CCOc1cc(N2CC(c3nc(-c4ccccc4)no3)C2)ncn1 896647485 MLXVDHGIJNLXJE-UHFFFAOYSA-N 323.356 2.529 0 50 DFAA c1ccc(CCc2noc([C@H]3OCC[C@H]3Cn3ccnc3)n2)cc1 1775958947 INYKEALDTFVHPU-RDJZCZTQSA-N 324.384 2.829 0 50 DFAA O=C(Nc1nc(C2CC2)ns1)N1C[C@@H]2C[C@]2(C(F)(F)F)C1 1776007362 MXBDNCNRLYLIMY-CPCISQLKSA-N 318.324 2.832 0 50 DFAA Cc1noc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)n1 631381248 MNLIGBRLXJVJKW-UHFFFAOYSA-N 321.764 2.715 0 50 DFAA c1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)c2c(c1)OCO2 275625046 RVEMHUVZNIBKJQ-DOTOQJQBSA-N 312.369 2.820 0 50 DFAA Cc1ccc(-c2nnc(S)n2CC(=O)N2CCC[C@@H]2C)cc1 170643811 QCHNYQDUNXYCCI-LBPRGKRZSA-N 316.430 2.553 0 50 DFAA CN1C[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1=O 281042304 JGCCOJBRMSFNRO-LURJTMIESA-N 305.136 2.549 0 50 DFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H](O)c2ccccc2)cc1 281158595 VRFLAIOXOXZAHF-KSZLIROESA-N 311.381 2.791 0 50 DFAA Cc1cc(F)c(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1F 281285519 XUCIYBNPBTVVIJ-UHFFFAOYSA-N 315.345 2.851 0 50 DFAA O=S(=O)(C[C@H]1CCOC1)NC1CCC(c2ccccc2)CC1 171956873 DWKIYMTXOAPKMX-OOHWJJMZSA-N 323.458 2.669 0 50 DFAA CCc1ccc([C@H]2CN(Cc3n[nH]c(CC)n3)CCO2)cc1 190300563 LXXMZMPKJGNMTJ-OAHLLOKOSA-N 300.406 2.503 0 50 DFAA O=C(Cn1ccc2ccc(Cl)cc21)N1CC2(CCOCC2)C1 646008561 VWWZIFHEYAELCM-UHFFFAOYSA-N 318.804 2.934 0 50 DFAA O=C(Nc1ccncn1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 194050142 UJJAWVGSDDQDBF-VXGBXAGGSA-N 318.402 2.658 0 50 DFAA CO[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)N1)c1ccc(Cl)cc1 653096366 KHSYVUKPNKBLOH-HRCADAONSA-N 322.836 2.674 0 50 DFAA O=C([C@@H]1C[C@@]12CCCNC2)N1CCC(Cc2ccccc2)CC1 655420302 OPPGLSWCWKPGGW-AZUAARDMSA-N 312.457 2.857 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)Cc1nc2ccccc2o1 1506427927 VKUZCADOSFVLTA-CYBMUJFWSA-N 302.374 2.788 0 50 DFAA c1ccc(C[C@@H](NCCCc2nn[nH]n2)C2CCCCC2)cc1 1506401745 NSOZGQXURAZJKG-QGZVFWFLSA-N 313.449 2.914 0 50 DFAA COc1ccc([C@@H](C(=O)O)N(C)CCN2CCCCCC2)cc1 1529119204 CZFOYPUHGPTMFH-KRWDZBQOSA-N 320.433 2.629 0 50 DFAA C[C@H]1CCCN(C(=O)CCc2cc(Cl)cs2)[C@@H]1CN 237691470 MMNWXLLQAQGAMZ-GXFFZTMASA-N 300.855 2.920 0 50 DFAA O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc(F)cc2)o1 467737 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CC1=CCC[C@@H](C)[C@H]1CNCc1cn(C(C)C)c(=O)nc1O 1653016941 MFVWKOZLYKZCOW-HIFRSBDPSA-N 305.422 2.612 0 50 DFAA O=C(Nc1ccnn1-c1cccc(F)c1)[C@@H]1CCO[C@H]1C1CC1 904615020 IEXBVCWSBSZPGP-ZBFHGGJFSA-N 315.348 2.765 0 50 DFAA CC(C)[C@@H]1C[C@H](NC(=O)c2occc2Br)CCO1 271689184 OAPNQCHKOXAJIY-KOLCDFICSA-N 316.195 2.976 0 50 DFAA CN(Cc1ncc(Br)s1)[C@@H]1CCCC[C@H]1O 428453551 PMCMYYZBJGPLNK-RKDXNWHRSA-N 305.241 2.641 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C)cc1C 1422496 AYLVCYUTMGZYMP-CQSZACIVSA-N 304.415 2.659 0 50 DFAA C[C@H]1CNCC[C@@H]1NC(=O)c1cc(-c2ccc(Cl)cc2)no1 2325774636 FMFGPBNGFLQTIF-GWCFXTLKSA-N 319.792 2.723 0 50 DFAA CSCC1(CCNS(=O)(=O)C[C@@H]2CC[C@H](F)C2)CC1 2325776389 HCGATEKZISWTQI-NEPJUHHUSA-N 309.472 2.577 0 50 DFAA CC[C@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1CSC1(C)C 2325782579 JELOUNLFLWSINC-RKDXNWHRSA-N 319.414 2.778 0 50 DFAA Cc1nc2ccccc2cc1Cn1cc([C@H]2CCN(C)C2)nn1 2325800650 ZZRLDZOGSANCDD-HNNXBMFYSA-N 307.401 2.602 0 50 DFAA Cc1n[nH]c(SCC(=O)N[C@H](c2ccccc2)[C@H]2C[C@H]2C)n1 245289965 GIWUTVPTZOGVFY-RIEGTJTDSA-N 316.430 2.719 0 50 DFAA Nc1c(C(=O)NC2CC2)sc2nc(-c3ccncc3)ccc12 1026436 RVIFYIHKQPEBNU-UHFFFAOYSA-N 310.382 2.833 0 50 DFAA COc1ccc(OCCCn2cnc3ccccc3c2=O)cc1 2190766 MWBCFRDWJGEPKC-UHFFFAOYSA-N 310.353 2.874 0 50 DFAA Cc1ccnc(N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)c1 2356143440 HWRDFBYIWKNVEB-IBGZPJMESA-N 323.444 2.730 0 50 DFAA O=C(O)CN1CCN(Cc2ccccc2)C2(CCCCC2)C1 225455162 GSGXYAHTNXMKHJ-UHFFFAOYSA-N 302.418 2.592 0 50 DFAA CCCOc1ccc(C)cc1S(=O)(=O)NCc1ccco1 8714701 WYKBMYLCVHVVCF-UHFFFAOYSA-N 309.387 2.855 0 50 DFAA O=C(NC1(c2nccs2)CCCC1)c1ccc2nccn2c1 172255284 PYRKQASGHHPDHR-UHFFFAOYSA-N 312.398 2.990 0 50 DFAA CC[C@H](C)n1nccc1NC(=O)c1nc(O)c2ccccc2n1 55168099 KJIWINCPAXHRBS-JTQLQIEISA-N 311.345 2.755 0 50 DFAA CN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1 114899265 HWXULFBLEGVJDK-UHFFFAOYSA-N 308.223 2.678 0 50 DFAA COc1cccc2c1OCC(CN1CCC3(CCNCC3)C1)=C2 67872750 KQQOOBKTBNJHMX-UHFFFAOYSA-N 314.429 2.547 0 50 DFAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@@]2(CCNC2)C1 67676185 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DFAA c1ccc([C@@H](Cn2ccnc2)n2ccnc2-c2c[nH]cn2)cc1 71638783 REAZKLHWMVWAPL-MRXNPFEDSA-N 304.357 2.759 0 50 DFAA COC(=O)c1ccc(NC(=O)NCc2ccccc2F)cc1 13746189 CDQHAUYOLWSZCP-UHFFFAOYSA-N 302.305 2.934 0 50 DFAA C[C@@H]1CN(c2ccnc3cc(C(F)(F)F)ccc23)C[C@H]1C(N)=O 284505535 DIZQETRCQBKJSL-BXKDBHETSA-N 323.318 2.811 0 50 DFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C 284610901 IKUJBBWVOJTYHP-LCSDZXHASA-N 317.433 2.585 0 50 DFAA Cc1noc(C)c1CC(=O)N(C)Cc1cccc(-n2cccn2)c1 77407045 JBCMFVITTVIHEZ-UHFFFAOYSA-N 324.384 2.678 0 50 DFAA CC[C@H](Cn1ccnc1)NC(=O)Cc1c(F)cccc1Cl 222480536 WYPNMSJYRLYORF-LLVKDONJSA-N 309.772 2.813 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H]2c2cccn2C)c2cnn(C)c2n1 175209809 XPIDWLFKCOJCBO-INIZCTEOSA-N 323.400 2.593 0 50 DFAA Cc1ccc(N2C[C@H](C)N(C(=O)C3CCCC3)CC2=O)cc1 82115154 FUEAPNMPXOYNGH-AWEZNQCLSA-N 300.402 2.749 0 50 DFAA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cccc(CCC(=O)O)c1 263385032 CMDHIWLNUUXQLQ-ZBFHGGJFSA-N 305.374 2.703 0 50 DFAA CCOc1ccc(Cl)cc1-c1ccc(N(C)CCO)nn1 426545245 YRHXILRDMQXSJO-UHFFFAOYSA-N 307.781 2.624 0 50 DFAA Cc1ncsc1CCNC(=O)c1c[nH]nc1-c1cccs1 426707266 SXAPSAZMZVTACL-UHFFFAOYSA-N 318.427 2.876 0 50 DFAA CNC[C@H]1CCCN(C(=O)/C=C(\C)c2ccccc2OC)C1 178338267 WXANVOJONCDPFG-ATGUSINASA-N 302.418 2.557 0 50 DFAA CSCCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 194212069 BRQWUVKXLMFDEN-UHFFFAOYSA-N 310.438 2.659 0 50 DFAA CCOC(=O)COc1cc(Br)ccc1C(C)=O 144353493 PGUVXOSOXJYRQT-UHFFFAOYSA-N 301.136 2.594 0 50 DFAA C[C@H]1Cc2cc(C(=O)NCCCOc3cccnc3)ccc2O1 426518929 HWFDZNWESNVHBE-ZDUSSCGKSA-N 312.369 2.604 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@@H](CO)c3ccccc32)cc(O)n1 293865793 ISIKTVMSYNHSFN-ZDUSSCGKSA-N 312.369 2.647 0 50 DFAA CCOc1ccc(C)cc1S(=O)(=O)NCCc1ccccc1 230513546 HSWZEOVUGFZKHI-UHFFFAOYSA-N 319.426 2.915 0 50 DFAA CSc1ccc(NC(=O)N(C[C@H]2CCC(=O)N2)C(C)C)cc1 95521353 AHSNIMDHIVWNOJ-CYBMUJFWSA-N 321.446 2.929 0 50 DFAA Cn1nc(-c2ccccc2)c2c(NC(=O)[C@@H]3CC3(F)F)n[nH]c21 294747863 AHMRSLJQMHTWLI-VIFPVBQESA-N 317.299 2.557 0 50 DFAA CCCCN(CCCO)c1cc(C)nc(-c2ccncc2)n1 180904367 BLYOOEGZGXAWHR-UHFFFAOYSA-N 300.406 2.836 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1cc(-c2cccnc2)no1 244872882 WGCZLUFCQYSWQZ-SFHVURJKSA-N 324.384 2.951 0 50 DFAA O=C(CCc1ccsc1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 252571534 YCOWQQKEFVXTIH-ZQIUZPCESA-N 316.426 2.704 0 50 DFAA CC(C)n1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)n1 353534727 IQXCPBZERZPCHL-UHFFFAOYSA-N 309.373 2.961 0 50 DFAA O=C(C[C@H](c1ccsc1)n1cccc1)NCCn1ccnc1 263588669 WWRWIPFXCCVFGI-OAHLLOKOSA-N 314.414 2.542 0 50 DFAA O=C(NCc1noc([C@H]2CCCO2)n1)Nc1cc(F)ccc1F 299787246 ZVQBYPFYKANMKJ-LLVKDONJSA-N 324.287 2.521 0 50 DFAA O=C1C[C@H](CN2CC(c3ccncc3)C2)CN1c1ccccc1 299781468 FKDZAKREZWXPTK-OAHLLOKOSA-N 307.397 2.534 0 50 DFAA COc1ccc(OCCCN)c(C(=O)N2CCC[C@@H](C)CC2)c1 299788977 ZEZJPODCUNIMJN-CQSZACIVSA-N 320.433 2.685 0 50 DFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CC2(C)C)n1 825264554 UCFVLLMCHAEKRI-VIFPVBQESA-N 301.312 2.509 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2cccc(Cn3cccn3)c2)C1 822409901 QWFABIFJWBYKDF-KRWDZBQOSA-N 324.472 2.990 0 50 DFAA Cc1cccc(-n2ncnc2[C@H](Cc2ccccc2)N(C)C)n1 670437773 ZZWVJKSXIFTHKS-INIZCTEOSA-N 307.401 2.816 0 50 DFAA CNCc1ccccc1CNC(=O)c1cc(CN)c(Cl)s1 1875287365 HEXLSXABDCYHJY-UHFFFAOYSA-N 323.849 2.510 0 50 DFAA N[C@@]1(C(=O)Nc2cccc(Cn3ccnc3)c2)CC2CCC1CC2 1875277120 IWJNIPXUKBGIQB-KJXMEXGPSA-N 324.428 2.778 0 50 DFAA CC(C)(C)C(=O)N[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 1875297402 OLSXPMOLCZVCNN-LBPRGKRZSA-N 300.406 2.694 0 50 DFAA O=C(CC1C2CC3CC(C2)CC1C3)O[C@H]1C[C@H](n2cncn2)C1 1875319212 SUEVGOIDFBHUCD-QBEJSXAFSA-N 315.417 2.987 0 50 DFAA O=C(N[C@H](C(=O)O)c1cscn1)[C@H]1CCCc2ccccc21 1875311187 PIMDKSWRPCNNGD-JSGCOSHPSA-N 316.382 2.505 0 50 DFAA CC1(C(=O)NC[C@@H]2CCC[C@H](Cn3cc(C4CC4)nn3)C2)CC1 1875323668 OUJCNXLWEKDRSG-KGLIPLIRSA-N 316.449 2.878 0 50 DFAA CCC(C)(C)N(C)Cc1nc2ncc(Br)cn2n1 952993834 KUMMLTMUKKQCGU-UHFFFAOYSA-N 312.215 2.507 0 50 DFAA CCn1ncnc1CN[C@@H]1CC(C)(C)Oc2cc(C)ccc21 952988563 NBFXPVFFXCCVTQ-CQSZACIVSA-N 300.406 2.998 0 50 DFAA O=C1[C@H](Nc2nccnc2Cl)CCCN1Cc1ccccc1 893031618 DFBIKCJCWIIDIG-CYBMUJFWSA-N 316.792 2.733 0 50 DFAA COC(=O)[C@@H]1C[C@@H](Nc2cccc3c2CCN3C(C)=O)C1(C)C 1775991556 GUTFLMZVCGLVMI-XJKSGUPXSA-N 316.401 2.595 0 50 DFAA O=C(Nc1ccnn1-c1ccccn1)N1CC=CC12CCCC2 1350109415 MEGOIHUMJQMZKB-UHFFFAOYSA-N 309.373 2.984 0 50 DFAA O=C(CCC1CCCC1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565511533 JNLDPNKYWJNQJQ-HOTGVXAUSA-N 318.417 2.705 0 50 DFAA CC(C)=CCN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 1565516281 FJUZJONJMKJNSE-CVEARBPZSA-N 317.433 2.680 0 50 DFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CCN[C@H](C)C1 170048346 ZZMUXLQROJCOGR-LLVKDONJSA-N 301.415 2.552 0 50 DFAA Cc1cc(F)ccc1C(=O)N(CC(=O)O)Cc1ccccc1 190740123 PQHDARMTNRTOJU-UHFFFAOYSA-N 301.317 2.861 0 50 DFAA CN(C)C(=O)CCCSc1nncn1-c1cccc(Cl)c1 191557304 YERWWWKTLQQJED-UHFFFAOYSA-N 324.837 2.881 0 50 DFAA C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1cccc(O)c1 194940202 AAZCUKYARGEOOH-KBPBESRZSA-N 323.396 2.841 0 50 DFAA COCCN(C(=O)c1cccc(C(=O)O)c1)[C@H]1CC[C@@H](C)C1 668300591 QZBSYHNNTZMSGQ-DOMZBBRYSA-N 305.374 2.662 0 50 DFAA Cc1cc(C(=O)N(C)CCN(C)C2CCCC2)cc(C)c1O 1506408152 VQFDDVGSOIVTJW-UHFFFAOYSA-N 304.434 2.955 0 50 DFAA C[C@@H](Sc1nnc(N)s1)C(=O)Nc1cccc(Cl)c1 610527 KUSRWAIFKPDLJX-ZCFIWIBFSA-N 314.823 2.893 0 50 DFAA Cc1cnccc1N1CCCN(Cc2ccn3nccc3c2)CC1 1800409905 LIPSSQNQJSHMQG-UHFFFAOYSA-N 321.428 2.750 0 50 DFAA O=C(NCc1[nH]nc2ncccc12)C1=Cc2ccccc2OC=C1 1772806723 JMKSSEJAMSKWEK-UHFFFAOYSA-N 318.336 2.564 0 50 DFAA COC(=O)c1ccc(OC)c(Oc2ccc(CN)cc2F)c1 1772718187 XKOYUXRCMURQPV-UHFFFAOYSA-N 305.305 2.872 0 50 DFAA Cc1cccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)c1 13668942 YHVZXBOLDPLNSW-UHFFFAOYSA-N 324.424 2.757 0 50 DFAA O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccncc1 169755515 NGWGRWYDOPBING-UHFFFAOYSA-N 319.368 2.929 0 50 DFAA CNc1nc(C(=O)NCc2nc(C(C)(C)C)cs2)cs1 155262194 GJYHGPGBLRTXCT-UHFFFAOYSA-N 310.448 2.869 0 50 DFAA Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 6338379 XMJMPXZOUFXDLZ-MRXNPFEDSA-N 308.381 2.982 0 50 DFAA CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)CC(=O)N2 4944191 FEXQWZQVXPLEDJ-NSHDSACASA-N 315.398 2.664 0 50 DFAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C 4970539 BHZTUHZSTPLAEE-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA COc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2C)cc1 3004086 IXWKRPCSXBWVHO-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA c1ccc2c(N3CCN4[C@@H](C5CC5)COC[C@H]4C3)nccc2c1 1857716202 BFQQMAJESFUXBT-SJLPKXTDSA-N 309.413 2.534 0 50 DFAA CNCC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 237256314 ZSYLJMVJXBZYOB-AWEZNQCLSA-N 311.223 2.626 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)C1 237643476 MDLPDIPJQJKTKJ-INIZCTEOSA-N 320.776 2.687 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2nc3ccccc3s2)C1 237644412 OAOYBSJOMSBDMI-MRXNPFEDSA-N 318.398 2.552 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)nn1C 133170799 IKIBJDKQBJYYKX-INIZCTEOSA-N 312.417 2.722 0 50 DFAA Cc1ccc(C(C)C)c(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 146580809 XTOKLWGMMJVQST-YESZJQIVSA-N 321.461 2.967 0 50 DFAA O=C(O)C1(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 154770734 PWEJBHBPZISPDT-UHFFFAOYSA-N 312.369 2.739 0 50 DFAA COc1ccccc1[C@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 265781046 JGMDKZGBLNOKEN-AWEZNQCLSA-N 313.401 2.594 0 50 DFAA Cc1conc1C(=O)N1C[C@@H](CCC(=O)O)Cc2ccccc21 902820029 MXAAISFKEZJDQK-LBPRGKRZSA-N 314.341 2.667 0 50 DFAA COc1ccc(Cl)c2c1CCC[C@@H]2N[C@@H]1CCN(C(C)=O)C1 903207424 YEMVCXWKHHMQDD-DOMZBBRYSA-N 322.836 2.936 0 50 DFAA CCC[C@]1(C(=O)O)CCN(Cc2ccccc2Cl)C[C@@H]1O 1704327716 HEOGHCIQFSAQEG-HOCLYGCPSA-N 311.809 2.778 0 50 DFAA Cc1nccc(N(CCC(=O)O)Cc2ccc(F)c(F)c2)n1 910419472 NCODZVSJUARRMQ-UHFFFAOYSA-N 307.300 2.545 0 50 DFAA O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1ncoc1C1CC1 816518323 WRUPOJDIMIXIGD-LBPRGKRZSA-N 324.739 2.808 0 50 DFAA Cc1cccc(F)c1CNC(=O)N1CCC[C@H](CC(=O)O)C1 818944294 PNPSJVNICCJTDA-GFCCVEGCSA-N 308.353 2.530 0 50 DFAA O=C(Nc1cncc(F)c1)C1(n2cc(C(F)(F)F)cn2)CC1 2325811640 KEKAZMNJMBWPET-UHFFFAOYSA-N 314.242 2.564 0 50 DFAA Cc1cc(CN)oc1C(=O)Nc1cccc(-c2ccnn2C)c1 2325857307 WTUUXSPQNHOPJB-UHFFFAOYSA-N 310.357 2.700 0 50 DFAA Cc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c(C)c1 202180 DPJYKYKKEWHNJM-UHFFFAOYSA-N 309.373 2.525 0 50 DFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(F)cc2C)CC[C@@H]1O 2356140459 JTGFHGUFCSLIKM-DOTOQJQBSA-N 309.381 2.572 0 50 DFAA C[C@H](CCO)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356161152 IPIDWIKWRVGRLL-MRVPVSSYSA-N 310.737 2.876 0 50 DFAA CN1CCC(N(C)Cc2coc3ccc(Cl)cc3c2=O)CC1 4989063 YBSJONIOYGPOPL-UHFFFAOYSA-N 320.820 2.972 0 50 DFAA CCS[C@H]1CCCCN(C(=O)NCc2ccnc(C)n2)C1 112135029 QYYLSCKXISQJQC-AWEZNQCLSA-N 308.451 2.602 0 50 DFAA COC1CCN(C(=O)NCCCSc2ccccc2)CC1 54376080 ANYMGSVQYSSUSK-UHFFFAOYSA-N 308.447 2.989 0 50 DFAA COc1ccc(CN(C)C[C@@H](O)c2ccccc2)cc1OC 23280168 XYRNWNDDSBLCHE-MRXNPFEDSA-N 301.386 2.869 0 50 DFAA Cc1cccnc1C[C@H](C)NC(=O)c1ccc(-c2nc[nH]n2)cc1 67673799 XNJLDPCZNNETLB-ZDUSSCGKSA-N 321.384 2.536 0 50 DFAA Cc1nc([C@H](C)NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)cs1 230091966 XQTRXGCGNFMZQA-JKOKRWQUSA-N 311.451 2.873 0 50 DFAA O=C(NCCc1cnccn1)NCC1CC(c2ccccc2)C1 253393026 OIHHDWAJHIRLKB-UHFFFAOYSA-N 310.401 2.512 0 50 DFAA CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCCCC1 198572 SCMLVFMPQANNDH-UHFFFAOYSA-N 324.428 2.652 0 50 DFAA biogenic C[C@@H](CC1CCOCC1)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 328647564 UBDHSRJSSJXGBF-SNRMKQJTSA-N 317.477 2.869 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNC(=O)[C@@H]1OCCc2ccccc21 152090370 VPKAIGQTIXDFMT-APPDUMDISA-N 314.385 2.825 0 50 DFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H]1CCCO1 154551145 JKEFBQSMNWUCDO-GFCCVEGCSA-N 319.792 2.743 0 50 DFAA O=C(Nc1ccc(Br)cn1)c1ccnn1C(F)F 6829173 CNOPLUVPUWWJOO-UHFFFAOYSA-N 317.093 2.688 0 50 DFAA CCN(CC)Cc1cc(C(=O)N2CC[C@@H](COC)C2)c(C)o1 219886930 XRZUOAFUALYMKB-CQSZACIVSA-N 308.422 2.538 0 50 DFAA Fc1ccccc1-c1cnnc(NCCc2cscn2)n1 12387382 XUCGAICWTDYVDQ-UHFFFAOYSA-N 301.350 2.789 0 50 DFAA COc1cc(Cl)cc2cc(C(=O)NCCN3CCCC3)oc12 215180079 AGSXWXFTCPOKGF-UHFFFAOYSA-N 322.792 2.920 0 50 DFAA CCc1nc(C)c(-c2nccn2CCSc2nccn2C)[nH]1 71761434 APSNUDLXOZFUDT-UHFFFAOYSA-N 316.434 2.670 0 50 DFAA CCNC(=O)c1ccc(CN[C@H]2CC(C)(C)OC2(C)C)cc1 156557982 HDTBRYCHSGRTHV-HNNXBMFYSA-N 304.434 2.872 0 50 DFAA Cc1nc2ccc(C(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2o1 215870848 DQDUPGSYYUSTQK-NVXWUHKLSA-N 308.337 2.524 0 50 DFAA OCC[C@H]1CCCCCN1Cc1nc(-c2ccsc2)no1 342059391 KHFYTXCXZSIBBL-CYBMUJFWSA-N 307.419 2.925 0 50 DFAA Cc1csc([C@H](NC(=O)N[C@H]2CCCC[C@H]2O)C2CC2)n1 240540861 GPTYOPBQHKZFBI-YNEHKIRRSA-N 309.435 2.505 0 50 DFAA C[C@@H](NC(=O)N[C@@H](CCCO)c1ccccc1)C(C)(F)F 455783206 KMOMEKYJEOOCFP-YPMHNXCESA-N 300.349 2.843 0 50 DFAA CC(C)CC[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 133706181 CYRWQYUDYRZRFS-AWEZNQCLSA-N 315.417 2.907 0 50 DFAA O=C(O)[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)C1 263522066 RJUIWJUGTSDBOI-JTQLQIEISA-N 323.805 2.693 0 50 DFAA Cc1nccn1CC[C@@H](NC(=O)c1cnco1)c1ccccc1 220368636 JJBQFAVOVRLULX-OAHLLOKOSA-N 310.357 2.741 0 50 DFAA Cc1noc(C2CCN(C(=O)c3cnc(C(C)C)s3)CC2)n1 178923410 HMAFFPIYWALOMO-UHFFFAOYSA-N 320.418 2.978 0 50 DFAA O=C(c1cncc(F)c1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95390588 SBPWDFZRZCHQTM-RHSMWYFYSA-N 317.408 2.557 0 50 DFAA CN(Cc1cccc(O)c1)C(=O)[C@@H](c1cccc(F)c1)N(C)C 95357654 DWIUEDHYBOVEOD-QGZVFWFLSA-N 316.376 2.793 0 50 DFAA Cc1ccc(F)c(OCC(=O)N2CCC[C@H](CCC(=O)O)C2)c1 237771189 NSTQOHVWNBYEQQ-CYBMUJFWSA-N 323.364 2.616 0 50 DFAA O=C(c1ccc(O)nc1)N1C[C@@H]2CCCCN2c2ccccc21 293965746 BCBJNWFYEJPPGN-AWEZNQCLSA-N 309.369 2.807 0 50 DFAA CSCC(=O)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91444881 FROAQKGENWRPEN-QGZVFWFLSA-N 324.490 2.523 0 50 DFAA CC(C)Nc1ncc(C(=O)NCc2cc(F)c(F)c(F)c2)cn1 97743549 OCOCJDUQMRFWBR-UHFFFAOYSA-N 324.306 2.644 0 50 DFAA O[C@@H](Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 244748471 OIDKJWPHXWDLGY-FQEVSTJZSA-N 310.441 2.940 0 50 DFAA O=S1(=O)CCc2ccc(NCc3c(F)cccc3F)cc21 182530092 UAOFLBXIXJYAIY-UHFFFAOYSA-N 309.337 2.907 0 50 DFAA Cc1nc(CN2CCN(c3cccc(F)c3)C[C@@H]2C)[nH]c1C 628292806 VUKOHBVRPGPMAM-LBPRGKRZSA-N 302.397 2.876 0 50 DFAA CN(C(=O)c1ccoc1Cl)[C@H]1CCO[C@@H]1c1cccnc1 299746734 ZLIBJZWHCHHGIY-QWHCGFSZSA-N 306.749 2.930 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)C[C@@H](C)C(=O)O)cc1 299746863 BKSKQQFOPPLAIY-KBMXLJTQSA-N 319.401 2.642 0 50 DFAA O=C(O)c1coc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 649384701 NNAYHWGGMSBVNY-SNVBAGLBSA-N 313.313 2.898 0 50 DFAA CC[C@@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(C)cn1 584895599 UHSGYFXXIOELFQ-OAHLLOKOSA-N 313.401 2.518 0 50 DFAA Cc1n[nH]c(C)c1NC(=O)c1ccc(C(C)(C)C(=O)O)cc1 1875292261 BPSGIFSERZTONN-UHFFFAOYSA-N 301.346 2.641 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(C3CC3)=NO2)c2ccccc2O1 1875294023 KZCUNSYBKSJCIC-HQQWDMGQSA-N 300.358 2.570 0 50 DFAA O=C1CCc2c1cccc2C(=O)N(CCO)Cc1cccs1 952979539 YRGYUHVWMJHNJR-UHFFFAOYSA-N 315.394 2.512 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1c2ccccc2O[C@H]1C 899785572 IBKIZOJHDFPGPK-HWWQOWPSSA-N 305.374 2.762 0 50 DFAA CCC[C@H]1CN(Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1N(C)C 1565525460 HAWZKXJVHXHMNF-KSSFIOAISA-N 313.445 2.690 0 50 DFAA Cc1cccc(CCNS(=O)(=O)C[C@@H]2CCC3(CCC3)O2)c1 1365640670 KWSHNAMXYYUICO-INIZCTEOSA-N 323.458 2.559 0 50 DFAA Cc1ccc([C@@H](C)NCc2cn(C[C@H]3CCOC3)nn2)cc1C 631056287 MHVOFOZGTGUQJZ-HZPDHXFCSA-N 314.433 2.782 0 50 DFAA CC(C)(C)OC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 82169587 CEDVAXOUBFPERN-CVEARBPZSA-N 318.417 2.507 0 50 DFAA in-vitro O=C(CSc1ccc(O)cc1)N1CCCC2(CCOCC2)C1 278906056 JCZOKHZQWJZNKS-UHFFFAOYSA-N 321.442 2.904 0 50 DFAA C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@H](C(C)(C)C)CC1 172178518 ZPYIDMKVPCUXLB-CABCVRRESA-N 323.481 2.855 0 50 DFAA CN(C)CCCC(C)(C)NC(=O)c1coc2cccc(O)c12 585121912 FYMSSAONPHGADE-UHFFFAOYSA-N 304.390 2.989 0 50 DFAA Cc1c(CNC(=O)[C@@H](c2ccncc2)C2CCCC2)cnn1C 585132471 XNZLFVIPRWVMSX-QGZVFWFLSA-N 312.417 2.714 0 50 DFAA C[C@H]1OCCC[C@H]1C(=O)Nc1ccnn1Cc1ccc(F)cc1 191214138 VTPYWXQIOSSVBX-IUODEOHRSA-N 317.364 2.824 0 50 DFAA CCn1ccc2c(CN3CCNC(=O)C34CCCC4)cccc21 1506415692 ZRAPPVCSJSVDFW-UHFFFAOYSA-N 311.429 2.906 0 50 DFAA C[C@@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 571739 BBJLNQXIJKWJGM-GFCCVEGCSA-N 318.398 2.549 0 50 DFAA CC(C)OCC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529191710 CTWRTUODGKGMGB-DLBZAZTESA-N 303.402 2.790 0 50 DFAA O=C(COc1ccccc1Br)NCc1cccnc1 1052194 AQFWSJWQJPPLRV-UHFFFAOYSA-N 321.174 2.539 0 50 DFAA C[C@@]1(O)CCOC2(CCN(C(=O)C3CCCCCC3)CC2)C1 1704315327 SCXFBKBZVFVEQD-QGZVFWFLSA-N 309.450 2.879 0 50 DFAA COc1ccc(CNCc2ccc3c(c2)OCO3)c(OC)c1 5008257 FOVCXVUHAKDHGR-UHFFFAOYSA-N 301.342 2.722 0 50 DFAA CC(C)c1nc2cc(C(=O)N3CC[C@@H](N(C)C)C3)ccc2o1 12747584 QYECYLCQESNRER-CYBMUJFWSA-N 301.390 2.727 0 50 DFAA CCN1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 16603382 NBNXYBRQOPDOSV-UHFFFAOYSA-N 318.461 2.963 0 50 DFAA O=C(NCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F 4855967 CYFCTSDOPUCJRE-UHFFFAOYSA-N 324.714 2.873 0 50 DFAA O=C(CN1CCC(Cc2ccccc2)CC1)NCc1ccco1 6729533 VDWHPJDAAZAWJY-UHFFFAOYSA-N 312.413 2.851 0 50 DFAA CCCN(CC(=O)O)Cc1cc2c(cc1OCC)C[C@H](C)O2 123220444 TWPGAKPPOVBUFF-LBPRGKRZSA-N 307.390 2.705 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c1C(N)=O 240454699 FYESHGFGVIJSJH-CQSZACIVSA-N 322.364 2.793 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)[C@H]2CCO[C@H]21 252513108 XIZAGJGNZMAYET-OXGONZEZSA-N 303.377 2.859 0 50 DFAA CNCCN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 263252067 PDICDTXVXYDQRU-UHFFFAOYSA-N 302.399 2.599 0 50 DFAA COc1ccc(CSc2ncn[nH]2)cc1Br 18163277 PRGXBEUEFGKLBN-UHFFFAOYSA-N 300.181 2.868 0 50 DFAA COc1cnc(NC(=O)NCC[C@@H]2CCC(C)(C)CO2)s1 931283373 ANBWZCZQQIBVDN-JTQLQIEISA-N 313.423 2.869 0 50 DFAA COCCN(Cc1ccccc1)Cc1cnc2c(c1)c(C)nn2C 193659181 WNCYZSNVDZJBAM-UHFFFAOYSA-N 324.428 2.925 0 50 DFAA COCC[C@@](C)(O)C(C)(C)CNC(=O)[C@@]1(C)CCC(F)(F)C1 2325766556 IVQFOKDOTKMVHW-LSDHHAIUSA-N 321.408 2.742 0 50 DFAA Cc1cc(N2CCN(c3ccncc3)CC2)c2c(C)noc2n1 2325775216 KNWGGBQLVPVQQI-UHFFFAOYSA-N 309.373 2.561 0 50 DFAA Cn1nc(-c2ccccc2)cc1-c1nc(C2(C)CCNCC2)no1 2325787632 MQINAKPATXCBFP-UHFFFAOYSA-N 323.400 2.778 0 50 DFAA OCC1(NCc2cccc(-c3cnco3)c2)Cc2ccccc2C1 2325801402 GMCRQWWIDOPPQC-UHFFFAOYSA-N 320.392 2.961 0 50 DFAA N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C[C@@H]21 248653921 VRPRFBYKFOYADV-GBIKHYSHSA-N 316.298 2.654 0 50 DFAA CCCc1cc(=O)oc2cc(C)cc(OCC(=O)OCC)c12 1164401 FPUUKCXVCOJVIQ-UHFFFAOYSA-N 304.342 2.996 0 50 DFAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1 2746448 QSPHEQJGOWIFSV-UHFFFAOYSA-N 310.382 2.998 0 50 DFAA O=S1(=O)N=C(Nc2ccc(F)c(F)c2F)c2ccccc21 4511481 BKBDJQYYTFDPSD-UHFFFAOYSA-N 312.272 2.665 0 50 DFAA C(=C/c1ccco1)\CN1CCCC[C@H]1CCN1CCOCC1 65527127 SKBUOLXQRGUWFT-ZVVFDCPKSA-N 304.434 2.870 0 50 DFAA CCC[C@H](C(=O)NCc1cccnc1-n1ccnc1)n1cccc1 67712934 XQGDLELBSNMYCB-MRXNPFEDSA-N 323.400 2.726 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 20030073 DZVYLKFFCQZJFV-UHFFFAOYSA-N 317.288 2.913 0 50 DFAA C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)cc1F 20400125 QLNUESONLKOKDA-QMMMGPOBSA-N 310.325 2.783 0 50 DFAA CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cnn(C)c1C 120489915 IRAWTQKFSFQYCU-UONOGXRCSA-N 310.467 2.592 0 50 DFAA CSc1ccc2nc(N[C@@H]3CC(=O)N(C)C3)cc(C)c2c1 1506407822 KAWWDRIATKFBSI-LLVKDONJSA-N 301.415 2.908 0 50 DFAA C=CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC 328596952 BUVVOVYXARBYAC-PBHICJAKSA-N 301.434 2.635 0 50 DFAA CCN(Cc1ccccc1)c1c(C(=O)O)cnc2c1cnn2C 4072995 PUUYZVBUTMPYRW-UHFFFAOYSA-N 310.357 2.693 0 50 DFAA C[C@@H]1CCc2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)sc2C1 5676925 FHKAZKJJCLNVBW-VWYCJHECSA-N 320.414 2.873 0 50 DFAA CC(C)SCC(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 72146288 MNVOSOIEPBPVSJ-AWEZNQCLSA-N 321.442 2.917 0 50 DFAA CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C)c1ccc(F)cc1F 173143966 ZMDGUVOSJUWKTG-BMIGLBTASA-N 310.344 2.543 0 50 DFAA Cc1ccc(C(=O)NC[C@H](C)Oc2cccnc2)c(F)c1F 218929910 OKHWBDANIFULDV-NSHDSACASA-N 306.312 2.866 0 50 DFAA O=S1(=O)CC[C@H](CN2CCC[C@@H]2/C=C/c2ccccc2)C1 253432811 OKTRIMSAMADNPG-PIIXRYACSA-N 305.443 2.599 0 50 DFAA CCCc1cc(N[C@@H](C)c2ncnn2CCC)n2nccc2n1 72171560 FAMBWYCFULRLTD-LBPRGKRZSA-N 313.409 2.856 0 50 DFAA C[C@H](C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)c1cccs1 331536363 XCQHGHLAZBCGPK-SCRDCRAPSA-N 319.430 2.622 0 50 DFAA Cc1[nH]nc2ncc(C(=O)N3CC[C@H](Cc4ccccc4)C3)cc12 128226661 UMTJTNIQDLTYBX-OAHLLOKOSA-N 320.396 2.971 0 50 DFAA c1cc2cc(CN3CCCC[C@@H]3CN3CCOCC3)ccc2[nH]1 77407779 OGHWOJPVPVLYTA-GOSISDBHSA-N 313.445 2.855 0 50 DFAA Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 237657563 BGXNOAFNPGPQJF-GJZGRUSLSA-N 319.401 2.866 0 50 DFAA C[C@H](NCC1(O)Cc2ccccc2C1)c1nc2ccccc2n1C 378431087 NPTAMHMXTKFYEK-AWEZNQCLSA-N 321.424 2.754 0 50 DFAA Cc1nc(CC(=O)N2CCCC[C@@H]2CCn2ccnc2)cs1 77342207 JMPXWGPCHGNFHM-OAHLLOKOSA-N 318.446 2.662 0 50 DFAA CCN1C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CC1=O 452957838 PWXPUWPNOAMTGT-KRWDZBQOSA-N 322.408 2.556 0 50 DFAA Fc1cccc2c1[C@@H](Nc1ncncc1Br)CO2 374675521 FGKUOXGWBPVJDJ-VIFPVBQESA-N 310.126 2.924 0 50 DFAA Cn1cc([C@@H](NC(=O)c2ccc(C(=O)O)s2)C(C)(C)C)cn1 262453273 WUSPRULQHBKPJE-GFCCVEGCSA-N 321.402 2.697 0 50 DFAA Nc1nccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n1 72160915 WHYVFOPPJKNMRG-UHFFFAOYSA-N 317.356 2.609 0 50 DFAA C[C@H](CCc1ccco1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 239672601 BTZSJBQSCWPDMS-ATZDWAIDSA-N 320.477 2.958 0 50 DFAA C[C@]1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@@]1(F)Cl 606444593 NMEIQOUXAPCRNN-CVEARBPZSA-N 324.783 2.510 0 50 DFAA CCc1ccnc(CNC(=O)N2CCC(c3ccon3)CC2)c1 606445070 TWJMLWXZFYBNLR-UHFFFAOYSA-N 314.389 2.721 0 50 DFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CCC[C@@H]1c1ccn[nH]1 287068094 MOJRUDPXWTURRC-DOTOQJQBSA-N 311.385 2.891 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ccc(-n3cccn3)nc2)CCC1(F)F 290463000 PXOUGSYSGDZFIY-LLVKDONJSA-N 321.331 2.776 0 50 DFAA Cc1ncsc1CCCNC(=O)c1ccnc(C(C)C)n1 426489858 CQILAIWSHMKOKK-UHFFFAOYSA-N 304.419 2.728 0 50 DFAA COc1cc(C(=O)NCc2cc(CC(C)C)no2)ccc1F 220631123 ZWURPBBXKHSAMV-UHFFFAOYSA-N 306.337 2.951 0 50 DFAA CCc1cccc(OCCN(C)C(=O)C[C@@H]2CCCOC2)c1 426372277 PGNBNKYNMVFSRE-INIZCTEOSA-N 305.418 2.903 0 50 DFAA Cc1nc(CCCNC(=O)[C@@H]2CCCN(C(C)C)C2)sc1C 95508027 ZDKDFIRDUOVSHM-OAHLLOKOSA-N 323.506 2.929 0 50 DFAA COc1nccnc1N1CCC(c2nccn2C(C)C)CC1 95378249 XXCPKUXYFHXHLG-UHFFFAOYSA-N 301.394 2.647 0 50 DFAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccsc1)C2 91649767 IKQHOHFMWXHCCA-NSHDSACASA-N 303.383 2.738 0 50 DFAA CCN(Cc1cnn(CC)c1)c1nc2c(s1)c(C)nn2C 95508108 IXZQLCMHMXWIGH-UHFFFAOYSA-N 304.423 2.581 0 50 DFAA COc1ccc([C@@H](NCc2ccnc(OC)n2)C(C)C)cc1 294839327 TTXQRSNUZRVBGY-INIZCTEOSA-N 301.390 2.981 0 50 DFAA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1cn(C)c2ccccc12 253396216 AXEYYKLXBYHLMA-CZUORRHYSA-N 302.418 2.634 0 50 DFAA biogenic Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc(F)c(Cl)c1 182842362 KXXLECCMHJYMKI-UHFFFAOYSA-N 317.773 2.644 0 50 DFAA N=C1C(c2nc3ccccc3[nH]2)=C(O)CN1CC1CCOCC1 252570371 WNZIJQTZKLQJJV-UHFFFAOYSA-N 312.373 2.551 0 50 DFAA CC(C)CC[C@@H](C)NC(=O)Cn1cc(Br)cn1 298671435 IOPUTBZSRBLJSS-SNVBAGLBSA-N 302.216 2.587 0 50 DFAA Cc1cc(C(=O)N2CC[C@H](CN)C2)c(C)n1Cc1ccccc1 269169524 SMRPINVCDPJKON-QGZVFWFLSA-N 311.429 2.574 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc3nccn3c2)c2cccc(F)c2O1 185569752 KVNUUZVXNSLNOA-LLVKDONJSA-N 311.316 2.901 0 50 DFAA CSCC1CN(C(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)C1 1875301204 DLLQATFALMYYLJ-GFCCVEGCSA-N 319.348 2.560 0 50 DFAA COc1ccc([C@@H](C)[C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)cc1 888093249 WCSMEHJBBWVYDP-NWDGAFQWSA-N 315.417 2.886 0 50 DFAA Cc1oc2ccccc2c1CN[C@@H]1CN(C)C[C@H]1c1cncn1C 1775959857 CLTFVHKOQOIJOR-IAGOWNOFSA-N 324.428 2.662 0 50 DFAA CCc1nnc(CN2CC3(CCCCC3)C[C@H]2C(=O)O)s1 1776991929 GONLDSVCEQVRBK-NSHDSACASA-N 309.435 2.710 0 50 DFAA CC(C)n1ncc(C(=O)NC(C)(C)c2ccc(F)cc2F)c1N 899647911 ZIAOUQNXVCDGIG-UHFFFAOYSA-N 322.359 2.990 0 50 DFAA CCCCN(CC)C(=O)c1ccc(CN2CCN(C)CC2)s1 1433590994 IPSAFMQRHPCSBK-UHFFFAOYSA-N 323.506 2.758 0 50 DFAA CN1[C@H]2CC[C@@H]1CCN(Cc1cncn1Cc1ccccc1)C2 1565506628 GNPGPVISYBASND-MSOLQXFVSA-N 310.445 2.600 0 50 DFAA Cc1ccc(S(=O)(=O)N2C(=O)OCc3ccccc32)cc1 139094963 JXVKKFZWABUXGL-UHFFFAOYSA-N 303.339 2.841 0 50 DFAA CC1(C)CC[C@H](CN2CCC(NC(=O)c3ccccc3)CC2)O1 186518597 JDEBUCKEJFJXRS-QGZVFWFLSA-N 316.445 2.838 0 50 DFAA CC[C@H](C)OCc1nc(Cc2nncn2-c2ccccc2)no1 277990876 HYJIADAREXFMLK-LBPRGKRZSA-N 313.361 2.556 0 50 DFAA c1ccc(CCCN2CCC(N3CCCOCC3)CC2)cc1 585133863 XYCUMSKLRZPFBH-UHFFFAOYSA-N 302.462 2.806 0 50 DFAA O=C(c1cccc(C(F)(F)F)c1)N1CCCc2c(O)ncnc21 585138775 XKTASAUZESXIGP-UHFFFAOYSA-N 323.274 2.794 0 50 DFAA Cc1[nH]nc(Cl)c1C(=O)NC1CCN(CC2CCCC2)CC1 585129583 OPTSNVRRPOBPRX-UHFFFAOYSA-N 324.856 2.756 0 50 DFAA Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(CC(=O)O)c(F)c1 643429211 KLTFVNHRJAAXLC-QMMMGPOBSA-N 320.320 2.800 0 50 DFAA O=C(Nc1ccccc1-c1ccncc1)N(CCO)CC(F)F 193953781 OSKKXFMCHJWXJR-UHFFFAOYSA-N 321.327 2.840 0 50 DFAA Cc1cc(CNC(=O)N[C@H]2CCCOc3ccccc32)on1 195478340 VKYGTTVCTRRLNU-AWEZNQCLSA-N 301.346 2.696 0 50 DFAA Cc1ccc2c(NCCN3CCC[C@@H](CO)C3)ccnc2c1C 1529111917 ABBDHDZRCNJXIJ-MRXNPFEDSA-N 313.445 2.968 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cc(F)ccc1Br 124680585 UOJDGXITUAMISD-WCBMZHEXSA-N 315.186 2.540 0 50 DFAA CC1=CC2(CCN(C(=O)c3ccc4c(c3)CCO4)CC2)OCC1 1704337135 WFJIVCSXQYHVEB-UHFFFAOYSA-N 313.397 2.963 0 50 DFAA CC(C)(NC(=O)c1cnc2ccccc2c1)[C@H](O)C(F)(F)F 1615548043 KWLXBQCDXYWAKQ-ZDUSSCGKSA-N 312.291 2.666 0 50 DFAA Oc1ccc(-c2cnc3c(c2)CNCC3)cc1OC(F)(F)F 1772808964 HHQZJJGBZOWCRJ-UHFFFAOYSA-N 310.275 2.999 0 50 DFAA CC(=O)N1CCC(N2CCC[C@@H](Nc3ccccc3)C2)CC1 11817159 DVNOQMYDVHIVPK-QGZVFWFLSA-N 301.434 2.574 0 50 DFAA Cc1ccc(CN2CCC(=O)N(Cc3ccncc3)CC2)c(C)c1 12191427 XUICHVYEUMXBAJ-UHFFFAOYSA-N 323.440 2.933 0 50 DFAA C[C@@H]1CCC[C@H](N2CCN(C(=O)Cc3ccccc3)CC2)C1 19913653 ZATYPZMRWGVSKI-AEFFLSMTSA-N 300.446 2.952 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CN2CCCC[C@H]2C)cc1 6731176 BMJLVGKBBGPBCP-CYBMUJFWSA-N 304.390 2.676 0 50 DFAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 204654039 BMPNIBUCKQODHV-UONOGXRCSA-N 305.374 2.810 0 50 DFAA Cc1cccc(CN2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)c1 1857738890 CQWBMCPYXWJUGU-XRXFAXGQSA-N 323.436 2.564 0 50 DFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)O)s2)C1(C)C 236968255 NZCJGEGRABRABO-NEPJUHHUSA-N 311.403 2.722 0 50 DFAA Cc1nc(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1 408524935 BOQTVRACFZRVDU-UHFFFAOYSA-N 318.686 2.897 0 50 DFAA Cc1csc2ncnc(N3CCC[C@](O)(C(F)(F)F)C3)c12 413161384 VRABEGPVEUDGGR-GFCCVEGCSA-N 317.336 2.893 0 50 DFAA Cc1cnc(CN[C@@H]2CCN(c3ncccc3Cl)C2)s1 449196462 SGPIIGZMFJVLHD-LLVKDONJSA-N 308.838 2.868 0 50 DFAA O=C(O)c1ccccc1OCCN1CCCC2(CCOCC2)C1 364266537 YCABKXARPBXRBU-UHFFFAOYSA-N 319.401 2.656 0 50 DFAA CC1(C)C[C@@H](O)c2cccc(NS(=O)(=O)c3ccoc3)c2O1 901963269 UJJGMPQQWNGBLQ-CYBMUJFWSA-N 323.370 2.675 0 50 DFAA CC1(CO)CCN(C(=O)c2cc(-c3ccccc3)ccn2)CC1 935395577 LFYTWPHUBZHKBE-UHFFFAOYSA-N 310.397 2.983 0 50 DFAA COC(=O)Cc1ccc(OCc2cc(Cl)n(C)n2)c(C)c1 2325777487 GMBGZFZZNWNWQJ-UHFFFAOYSA-N 308.765 2.676 0 50 DFAA Cc1cn(C)nc1CN1C[C@@H](C(=O)O)CCC12CCCCC2 2325791993 RBYJMXZZWXMGOK-AWEZNQCLSA-N 305.422 2.728 0 50 DFAA c1ccc2c(Cc3nnn(C[C@H]4OCCC45CCC5)n3)c[nH]c2c1 2325806730 CTYWORVPWLMNLX-MRXNPFEDSA-N 323.400 2.704 0 50 DFAA Cc1c(C(=O)OCc2cnc(Cl)n2C)oc2c1C(=O)CCC2 893123559 YRXDXPMYKIGUOB-UHFFFAOYSA-N 322.748 2.851 0 50 DFAA Cc1nnc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 52413 ZHQKAUQKWRVZGZ-UHFFFAOYSA-N 311.432 2.945 0 50 DFAA O=C(O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 91642 MLYSOGGVQZUNQF-UHFFFAOYSA-N 315.354 2.763 0 50 DFAA Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12 2176589 KTWUIKRIDVQRDX-UHFFFAOYSA-N 316.334 2.869 0 50 DFAA O=C(CCNCCc1ccccc1)c1ccc2c(c1)OCCO2 2971858 SYKFNDXVTVHBCB-UHFFFAOYSA-N 311.381 2.863 0 50 DFAA N[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 4240312 BCWKNNDZLLBHEG-CYBMUJFWSA-N 308.381 2.969 0 50 DFAA c1cc(-c2nn3c(CN4CCCCCC4)nnc3s2)ccn1 57524685 LMLRUCPHVSQHDK-UHFFFAOYSA-N 314.418 2.624 0 50 DFAA CC(C)=CCN1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO 104526307 QDHNHOMGQAWQBA-GOSISDBHSA-N 324.415 2.800 0 50 DFAA CCc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 59759703 LXMQKSMRFXOUGC-UHFFFAOYSA-N 303.406 2.581 0 50 DFAA NNC(=S)Nc1ccc(Br)c(C(F)(F)F)c1 67800259 BAPGMPROSSEMBY-UHFFFAOYSA-N 314.130 2.628 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348239036 GHBACFIVHYTOJI-CZUORRHYSA-N 321.323 2.825 0 50 DFAA CN1CCN(CCOCCOc2cccc(C(C)(C)C)c2)CC1 20652805 KFBZDGOPQSYTOR-UHFFFAOYSA-N 320.477 2.627 0 50 DFAA Cc1nc(CCn2nnc3ccccc32)n(-c2ccccc2F)n1 65461501 XLBPHSDTCVKVST-UHFFFAOYSA-N 322.347 2.702 0 50 DFAA C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C[C@@]1(C)CN 423984499 OTYVGROGLHNDOM-KZULUSFZSA-N 315.392 2.878 0 50 DFAA C[C@@H]1CCCC[C@H]1OCC(=O)NC[C@@H](O)c1cccc(F)c1 229674571 KYWHBGUHNDJJOB-DAXOMENPSA-N 309.381 2.571 0 50 DFAA Cc1cncc(C(=O)NC[C@@H]2CCN(Cc3ccccc3C)C2)c1 67817783 UKBRDVUSSOPXRR-KRWDZBQOSA-N 323.440 2.950 0 50 DFAA Cc1cc(C)n(C(=O)Cc2nnc(-c3sccc3C)o2)n1 409444212 FRVLSOZARPWTRB-UHFFFAOYSA-N 302.359 2.803 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1C 122598002 VNMRLBFQIFTEQW-LBPRGKRZSA-N 311.223 2.582 0 50 DFAA COCC1(CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)CCCCC1 358328861 KWNBJFBYOKATKF-ZDUSSCGKSA-N 321.465 2.854 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2c2ccnc3ccncc23)c1 283679861 ZCQMERQITWOGJD-LIRRHRJNSA-N 321.380 2.951 0 50 DFAA Cn1cncc1CCC(=O)N1CCC(CC(F)(F)F)CC1 357025194 YXTSSRJNVTZDHS-UHFFFAOYSA-N 303.328 2.544 0 50 DFAA Cc1nc(NC[C@@H](c2ccccc2C)N(C)C)c2cnn(C)c2n1 72157129 UUJNECLUMLOOQP-INIZCTEOSA-N 324.432 2.695 0 50 DFAA Cc1cc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)on1 36562326 MHNBFHOPFODPIY-GFCCVEGCSA-N 302.330 2.793 0 50 DFAA O=S(=O)(Cc1nc(C2CCCCC2)cs1)[C@@H]1CCOC1 333304230 UEMRUNBDXRWJFJ-GFCCVEGCSA-N 315.460 2.895 0 50 DFAA Clc1cnccc1CN1CCCO[C@@H](CN2CCCCC2)C1 215893776 VYXZHYPWYUWFMC-INIZCTEOSA-N 323.868 2.812 0 50 DFAA Cc1[nH]c2c(C(=O)N3CCC[C@H](c4nc[nH]n4)C3)cccc2c1C 374030769 HDLVEGISDGMOJR-ZDUSSCGKSA-N 323.400 2.923 0 50 DFAA CCn1cncc1Cn1ccnc1-c1cccc(OC)c1OC 72433327 TWOFRELCEFBUSL-UHFFFAOYSA-N 312.373 2.832 0 50 DFAA COc1cc2c(cc1CN(C)CC1CCOCC1)OCCCO2 216455293 UOQRNLLLUWSQDK-UHFFFAOYSA-N 321.417 2.715 0 50 DFAA Cc1ccc(C)c(CC(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c1 379168572 ZZZCSIQQTKSVOT-KGLIPLIRSA-N 314.351 2.727 0 50 DFAA FC(F)(F)c1ccccc1[C@H]1C[C@@H]1N=c1ncnc2[nH][nH]cc1-2 337657625 QIBJMDLILLXKMU-SKDRFNHKSA-N 319.290 2.713 0 50 DFAA O=C(C1SCCS1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 242191367 XEZRVGFDJPRJFD-KGLIPLIRSA-N 323.483 2.907 0 50 DFAA CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCCO2)c1ccco1 426477768 RCOXPOLAWDDZJP-OAHLLOKOSA-N 314.385 2.637 0 50 DFAA CO[C@H]1C([C@]2(O)C(=O)C(OC(C)C)=C2OC(C)C)=CCC1(C)C 43199129 ZVOXVNLVXGKDMN-YJBOKZPZSA-N 324.417 2.733 0 50 DFAA Cc1nccn1C[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 82135386 DGRXICITOGPLND-LBPRGKRZSA-N 303.328 2.773 0 50 DFAA Cc1nc(CCn2cnc3ccccc32)n(CC(F)(F)F)n1 95522136 QFRBPVRUDJJJEC-UHFFFAOYSA-N 309.295 2.741 0 50 DFAA COc1cccc2c1OC[C@H](C(=O)N(C)C1CCSCC1)C2 91713390 XCKCJCUTSNFGAT-CYBMUJFWSA-N 321.442 2.600 0 50 DFAA CS[C@@H](C)Cc1cn(Cc2noc(C3CCCC3)n2)nn1 91781864 MIZQTCJHWMFOEO-JTQLQIEISA-N 307.423 2.661 0 50 DFAA CC[C@@H](NC(=O)CN1CCCCC1=O)c1ccc(C)c(C)c1 97681713 OAGKCKLCNRJOQI-MRXNPFEDSA-N 302.418 2.883 0 50 DFAA Cc1cc(C)c2[nH]c(CN(C)C3CCOCC3)cc(=O)c2c1 91563173 NXZJFRCSNXPNGR-UHFFFAOYSA-N 300.402 2.756 0 50 DFAA c1ccc(Cn2cncc2CN2CC(c3ccccn3)C2)cc1 243901501 BBZKNJFSLJYGOE-UHFFFAOYSA-N 304.397 2.926 0 50 DFAA O[C@@H](CN1CCC(c2c[nH]c3ccccc23)CC1)Cn1cccn1 298727827 NMPQJXSKXFLPCU-INIZCTEOSA-N 324.428 2.605 0 50 DFAA O=C(O)C[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)CC1 299745833 STDWSPIQJJMJHR-NSHDSACASA-N 311.328 2.611 0 50 DFAA CCn1cc(-c2ccc(C(=O)NCc3cncn3CC)cc2)cn1 534647887 XRKSEOWXNMQBFG-UHFFFAOYSA-N 323.400 2.716 0 50 DFAA CCc1ccc(-c2cc(C(=O)NCC[C@H]3CCOC3)n[nH]2)cc1 534592665 HEVIHOGGGFQIEQ-AWEZNQCLSA-N 313.401 2.796 0 50 DFAA Cc1ccc(OC2CCN(C(=O)C[C@H]3CCOC3)CC2)cc1 363244554 BVKORDLFHHTLPK-OAHLLOKOSA-N 303.402 2.791 0 50 DFAA CC(=O)N1CCN(Cc2cccc(-c3ccc(C)cn3)c2)CC1 629760407 FZVAMFMPQYNUND-UHFFFAOYSA-N 309.413 2.721 0 50 DFAA Cc1cnc(CN2CCC(Oc3cccc(F)c3)CC2)cn1 670450948 DLNVPTWZQFNRND-UHFFFAOYSA-N 301.365 2.968 0 50 DFAA CCCC(CCC)C(=O)N1CCC[C@H](n2cc([C@@H](C)O)nn2)C1 1875323860 VQDHZIVFWTUYED-HIFRSBDPSA-N 322.453 2.711 0 50 DFAA CCOc1cncc(CNc2cnn([C@@H]3CCOC3)c2C)c1 952852395 IJTSTMSLGWZDEB-CQSZACIVSA-N 302.378 2.559 0 50 DFAA Cc1ccc(N[C@@H](C)c2cnc[nH]2)cc1-c1nnnn1C1CC1 1875285498 OZBQCCJUGKHCOL-NSHDSACASA-N 309.377 2.880 0 50 DFAA O=C(Nc1ncc([C@@H]2CCCCO2)s1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1875297286 JOXCCURVZFILNE-BZRINJCVSA-N 320.414 2.747 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C2CCCCCC2)C1 958528917 YMLLFRWMVNKWKY-RHSMWYFYSA-N 312.454 2.656 0 50 DFAA CC(C)C/C=C(\CN[C@H]1CCS(=O)(=O)C1)c1ccccc1 952972509 DFQIWXHWISSFEO-NDCSFFLDSA-N 307.459 2.893 0 50 DFAA Cn1cc([C@@H]2OCCC[C@H]2CN[C@H]2CC(C)(C)OC2(C)C)cn1 886079877 ANCAOCFHZBLGAX-CWRNSKLLSA-N 321.465 2.824 0 50 DFAA Nc1cc(F)cc(Br)c1I 91692872 CMTDUTPIANOYFR-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA in-vitro C[C@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2O)[C@@H](c2ccccc2)CO1 280937770 LBDSWLROWFDJQO-HPBDAGMYSA-N 317.429 2.916 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)c2ccoc2CC)C12CCOCC2 281263324 VMJCSHBZKIKPTI-HUUCEWRRSA-N 307.390 2.546 0 50 DFAA COCC[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1 281257651 FCMUJZBHYGOKPL-AWEZNQCLSA-N 322.405 2.527 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)CCN1 188457790 UPFWWRJUWQVBOH-HONMWMINSA-N 312.335 2.629 0 50 DFAA CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 407961288 CNXSYZOCOSPFGY-IMJJTQAJSA-N 305.422 2.620 0 50 DFAA C[S@](=O)Cc1cc(NCc2csnn2)ccc1Cl 195559137 FTETZFZCKCPLGQ-SFHVURJKSA-N 301.824 2.682 0 50 DFAA O=C(NC[C@@H](C(=O)O)C1CCC1)c1c(F)ccc2ccncc12 663156445 KFBIXZOGFPSFRZ-CYBMUJFWSA-N 316.332 2.605 0 50 DFAA CC(C)c1noc(CCNC(=O)N2CCC[C@H](C3CC3)C2)n1 585083830 YULVAKHWVNTGCP-ZDUSSCGKSA-N 306.410 2.567 0 50 DFAA O=C(CSC[C@@H]1CCCCO1)Nc1cc2ccccc2nn1 585125515 WAOCSNVTNHBHQM-ZDUSSCGKSA-N 317.414 2.871 0 50 DFAA O=S(=O)(NCc1ccoc1)[C@H]1CCC[C@H](C(F)(F)F)C1 585115525 FEMVREOCAQUUFS-QWRGUYRKSA-N 311.325 2.820 0 50 DFAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(Br)c(F)c1 124701591 RDYOHZYWBCYBAQ-WPRPVWTQSA-N 315.186 2.540 0 50 DFAA Cc1nc[nH]c1CN(CCN(C)C)Cc1cccc2cc[nH]c12 1704313216 IRXPIZJZSVOWSY-UHFFFAOYSA-N 311.433 2.763 0 50 DFAA COC(=O)c1nn(C)c(C)c1NC(=O)C1CCCCCCC1 1615566939 KAXSMEIWAMOKMJ-UHFFFAOYSA-N 307.394 2.814 0 50 DFAA CCN1C[C@H](c2nc(-c3c(F)cccc3SC)no2)CC1=O 1615571273 HOBMJJWJEDHGEY-SECBINFHSA-N 321.377 2.933 0 50 DFAA C[C@@H]1CCN(C(=O)c2ccnc(C(F)(F)F)c2N)CCS1 1615586486 OUYRAEUVLMWVOV-MRVPVSSYSA-N 319.352 2.650 0 50 DFAA Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2N)c(C)c1 11690542 ONYAKSQZFPGYGB-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1CCC(C)C 12409093 FIFLWESZADMWGV-UHFFFAOYSA-N 311.385 2.835 0 50 DFAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NC1CCN(C)CC1 16605170 SAJPIDYVGQFHES-KRWDZBQOSA-N 304.434 2.671 0 50 DFAA COc1ccccc1CN1CCN(CC(C)(C)C)[C@@H](CCO)C1 19836249 BPYLWORRXFTQDA-KRWDZBQOSA-N 320.477 2.610 0 50 DFAA CN1CCC(CCn2cnc3cc(Cl)ccc3c2=O)CC1 200589036 KDCVVEOCZNEKHU-UHFFFAOYSA-N 305.809 2.782 0 50 DFAA O=C(CCc1nc(-c2ccoc2)no1)N1CC[C@H](C2CC2)C1 363147204 PJZYFGNXYQNQBX-LBPRGKRZSA-N 301.346 2.521 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2nc3ccccc3s2)C1 237641694 OAOYBSJOMSBDMI-INIZCTEOSA-N 318.398 2.552 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1C(=O)NCc1nccn1-c1ccccc1 252478064 ABXWTJBOWOQDCZ-DOTOQJQBSA-N 313.401 2.550 0 50 DFAA Cc1nc(CN2CCOc3ccc(Br)cc3C2)no1 252483767 FHZUYBUZTXQXJU-UHFFFAOYSA-N 324.178 2.535 0 50 DFAA COc1ccc([C@H](C)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 252486454 KELHDDJEHLWLSG-KYJSFNMBSA-N 316.445 2.789 0 50 DFAA CCOC(=O)c1cc(NC(=O)COC(C)C)c2ccccc2n1 585124404 BYTYRNMVNDIMEQ-UHFFFAOYSA-N 316.357 2.775 0 50 DFAA CN(C)Cc1ccnc(NC(=O)N[C@@H]2CCCC3(CC3)C2)c1 932169481 RJVDDKVWDGIRLL-CQSZACIVSA-N 302.422 2.988 0 50 DFAA O=C(Cn1cncn1)N1CCc2ccccc2-c2ccccc21 2325866062 ZLIDERYJUPNQAM-UHFFFAOYSA-N 304.353 2.534 0 50 DFAA Cc1cc(N[C@H]2CCc3nc(C)cn3C2)nc(-c2ccncc2)n1 112078615 VHCFZYCAYZJCJW-HNNXBMFYSA-N 320.400 2.779 0 50 DFAA O=S(=O)(Nc1nccs1)c1ccc(Br)cc1 29871 JNVLDSBNISCATL-UHFFFAOYSA-N 319.205 2.706 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 143120 DRHLUFDEXCRIKI-LBPRGKRZSA-N 318.398 2.685 0 50 DFAA O=C(O)c1cscc1S(=O)(=O)c1ccc(Cl)cc1 161931 MSVUIONRVJKUIB-UHFFFAOYSA-N 302.760 2.933 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 194841 AWKGXQUDZOQJCD-NSHDSACASA-N 315.156 2.794 0 50 DFAA Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)CCC1=O 615811 NBQWKMJGQYADHV-UHFFFAOYSA-N 308.765 2.516 0 50 DFAA COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(C)cc1 2028631 YIYOOHKTILGJQJ-UHFFFAOYSA-N 306.339 2.584 0 50 DFAA O=C(NCCc1ccccc1)C1CCN(Cc2cccnc2)CC1 4229466 XXMOYTVRIHGFQT-UHFFFAOYSA-N 323.440 2.653 0 50 DFAA CCc1nnc2sc(-c3ccc(C)c(NC(C)=O)c3)nn12 4502790 VTJPCQXMGJVFLC-UHFFFAOYSA-N 301.375 2.682 0 50 DFAA NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1Cl 4840041 AFVGPPYAIICDFL-UHFFFAOYSA-N 308.740 2.955 0 50 DFAA CC[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccco2)CC1 8246452 PNQYQVMATIAHFJ-OAHLLOKOSA-N 318.417 2.923 0 50 DFAA COc1cc(CNC[C@H](C)O)ccc1OCc1ccccc1F 8497999 ASGDTFCMGYZPKV-ZDUSSCGKSA-N 319.376 2.884 0 50 DFAA CCc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc(C)c2c1 9225542 AZEMYESCDGGQRB-UHFFFAOYSA-N 321.384 2.816 0 50 DFAA Cc1ccc(C)c(CSc2nc3c(=O)[nH]cnc3n2C)c1 12447163 RGHPXFUJDAJHBZ-UHFFFAOYSA-N 300.387 2.566 0 50 DFAA biogenic,in-vitro CC(C)CN1CCC([C@H]2CCN(C(=O)C3CCOCC3)C2)CC1 12597287 YFPCHGPTVBJEGU-SFHVURJKSA-N 322.493 2.630 0 50 DFAA O=C(NC1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607601 KXJNASTZSPHPGR-CQSZACIVSA-N 318.392 2.737 0 50 DFAA CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccco1)C3 12653164 FLQHORASNFJIES-VIFPVBQESA-N 314.370 2.742 0 50 DFAA C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)C[C@@H](C)O1 15856627 DTCOTJYVYOSXAV-PHIMTYICSA-N 312.207 2.627 0 50 DFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)Cn1cccn1 31399306 WEXRMGNJNPLSHW-ZDUSSCGKSA-N 324.384 2.594 0 50 DFAA Nc1nc(NCc2cc(Cl)ccc2Cl)c2cn[nH]c2n1 32577708 GSMKMBWERCFHSX-UHFFFAOYSA-N 309.160 2.854 0 50 DFAA Cc1noc2nc(C(C)C)cc(C(=O)Nc3nncs3)c12 36367337 BKZXZAAKCGXXJO-UHFFFAOYSA-N 303.347 2.758 0 50 DFAA C[C@@H](CNC(=O)CC12CC3CC(CC(C3)C1)C2)n1cncn1 55036836 VAUJBTXRIYIADJ-ORVZXPRGSA-N 302.422 2.562 0 50 DFAA Cc1ccc(NCCNC(=O)Nc2ccc(Cl)cc2)nn1 65363537 JHDJQQVWUNUYHL-UHFFFAOYSA-N 305.769 2.672 0 50 DFAA CN(Cc1nc2c(s1)CCCC2)Cc1ncccc1C(=O)O 65370882 VXTWDKIDHHCDJL-UHFFFAOYSA-N 317.414 2.747 0 50 DFAA CN(CCC(=O)NCc1ccco1)Cc1cnc2ccccc2c1 65373565 GFVTVZSGFZBUJY-UHFFFAOYSA-N 323.396 2.966 0 50 DFAA CN1CCC(n2ncc3c2NC(=O)C[C@H]3Cc2ccccc2)CC1 65395131 VIXRXIPVMFXMJM-OAHLLOKOSA-N 324.428 2.818 0 50 DFAA CC(C)[C@H](NCC(=O)NCc1ccccc1F)c1ccccn1 65465071 SHYWJZQHVCXHSG-SFHVURJKSA-N 315.392 2.824 0 50 DFAA O=Cc1nc2[nH]cc(I)c2c(Cl)c1F 66054173 OMDLQPQCJCSMFO-UHFFFAOYSA-N 324.480 2.773 0 50 DFAA in-vitro C[C@@H](NC(=O)Cc1ccccn1)c1cnn(-c2ccccc2F)c1 67785653 LWFXOSZNOXQVMG-CYBMUJFWSA-N 324.359 2.826 0 50 DFAA O=C(N[C@H]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccccc12 69322011 AWTAOUROQYYVNB-HNNXBMFYSA-N 318.376 2.815 0 50 DFAA CCN1CCN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 72131299 GVZRBGBYWHINGB-CQSZACIVSA-N 324.852 2.888 0 50 DFAA O=S(=O)(N1CCCC1)N1CCCC[C@H]1c1ccc(F)cc1 72152461 CIGFNADACPFFCM-HNNXBMFYSA-N 312.410 2.693 0 50 DFAA CCC(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 72434101 IUGAGFZOGJPPGC-UHFFFAOYSA-N 308.345 2.754 0 50 DFAA O=C(c1cnc(-c2ccccn2)nc1O)N1CCCCCCC1 92077941 MVALSIUXESRAAP-UHFFFAOYSA-N 312.373 2.651 0 50 DFAA Cc1nc(CN(C)[C@H](C(=O)O)c2cccc3c2OCC3)cs1 95355998 DLXUTHHPYHEVCF-AWEZNQCLSA-N 318.398 2.644 0 50 DFAA COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 96032148 PCLPAHXXKYMSHU-ZFWWWQNUSA-N 307.390 2.638 0 50 DFAA CCc1ccsc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 111239984 LYCGYFUYOSNCOQ-GFCCVEGCSA-N 321.320 2.790 0 50 DFAA CC1(C)C[C@@H](NCc2ncn(-c3ccccc3)n2)C(C)(C)O1 119934214 WPLLBTMEHRXBQI-CQSZACIVSA-N 300.406 2.703 0 50 DFAA O=C(N[C@H]1CCc2ccccc21)N1CCC(Cn2cccn2)CC1 122481771 JUJVPACRAPKGAG-SFHVURJKSA-N 324.428 2.992 0 50 DFAA CC[C@@H](NC(=O)C1(C(=O)O)CC1)c1nc(C(F)(F)F)cs1 154953345 RQVPGUHDRFXFPU-ZCFIWIBFSA-N 322.308 2.594 0 50 DFAA O=C(NC1CCCC1)c1ccccc1OC[C@H](O)C(F)(F)F 158453079 HJYBKPOTFLCGGJ-ZDUSSCGKSA-N 317.307 2.661 0 50 DFAA Cc1ccnc(NC(=O)N(C)Cc2ccc([S@](C)=O)cc2)c1 170075683 YUCBCISZCMGFRZ-QFIPXVFZSA-N 317.414 2.791 0 50 DFAA O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1c1ccc(Cl)nc1 170613882 AMYYKACQXRPNFS-DLOVCJGASA-N 305.765 2.835 0 50 DFAA CNC(=O)[C@H](NC(=O)/C=C(\C)c1ccccc1Cl)C(C)C 178682244 GYEJJJKTBBZUTJ-SLZMIMFISA-N 308.809 2.630 0 50 DFAA Cc1ccc(CS(=O)(=O)NCCCc2ccccn2)cc1F 184205570 LZANKTMMJCIUOY-UHFFFAOYSA-N 322.405 2.581 0 50 DFAA CC(C)C(CNC(=O)Nc1ccnn1C[C@H]1CCOC1)C(C)C 194848538 JJJYLNYVNTYNCL-CQSZACIVSA-N 322.453 2.969 0 50 DFAA CN(Cc1cccc(F)c1)C(=O)Cc1ccc([S@](C)=O)cc1 225490896 YYTQNTFMATWKKY-QFIPXVFZSA-N 319.401 2.764 0 50 DFAA CC(C)(C)NC(=O)c1cccc(NC(=O)C2(N)CCCCC2)c1 236658282 XTTIQXJVQWQJNJ-UHFFFAOYSA-N 317.433 2.815 0 50 DFAA Cn1c(C(=O)N2CCC(C(=O)O)CC2)c(Cl)c2ccccc21 237710469 WGJYCIBUKDZFLJ-UHFFFAOYSA-N 320.776 2.769 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)CCCc2ccc(Cl)cc2)C1 237776283 VPIZKYWPFAQKGV-INIZCTEOSA-N 309.793 2.986 0 50 DFAA O=C(Cc1ccsc1)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244647009 GTIJAFQWEZFUFO-ZOWXZIJZSA-N 307.440 2.981 0 50 DFAA O=C(Cn1ncc2ccccc21)N[C@@H]1COC2(CCCCC2)C1 244708098 KNLHUMGQGHWHKK-HNNXBMFYSA-N 313.401 2.644 0 50 DFAA C[C@H](C(=O)NC(=O)NC1CCCC1)N1CC[C@@H]2CCCC[C@H]2C1 252467384 HKBVRBYDRHXACV-ILXRZTDVSA-N 321.465 2.655 0 50 DFAA CCc1noc(CN(CC)Cc2noc(C3CCCC3)n2)n1 252497530 QJYVRGPCJZCMPI-UHFFFAOYSA-N 305.382 2.695 0 50 DFAA C[C@@H]1CCCCN1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252535720 GRAPGYVANMFTHG-IXYNUQLISA-N 314.495 2.910 0 50 DFAA COc1ccc([C@@H](NC(=O)C2CC=CC2)C(=O)O)cc1Cl 263036429 NABZWRLSLMYHRA-CYBMUJFWSA-N 309.749 2.557 0 50 DFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263333421 QJXTVQJYHRLHTC-SGMGOOAPSA-N 319.401 2.731 0 50 DFAA CSCC[C@H](C(=O)NCCc1ccc(O)cc1)n1cccc1 263587597 IVOJSYWNFRUUHT-MRXNPFEDSA-N 318.442 2.847 0 50 DFAA CC1(C)CC[C@H]1N[C@@H](C(N)=O)c1cccc(Br)c1 284356046 NOZZEVPRLXOPLK-VXGBXAGGSA-N 311.223 2.754 0 50 DFAA O=C(Nc1ccccc1C(F)(F)F)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 299764393 SHLFUAQPFINWPH-IWIIMEHWSA-N 314.307 2.940 0 50 DFAA O=C1CCC(C(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1 330322528 SOAGSWQIEWKHQU-UHFFFAOYSA-N 301.386 2.890 0 50 DFAA Cc1cccc(C)c1OCCNC(=O)N[C@@H]1CCO[C@@H](C)C1 332641195 VCRRSGIPFDOPHT-LSDHHAIUSA-N 306.406 2.549 0 50 DFAA C[C@H]1CN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)CC(C)(C)O1 332669472 YYLNBEHXLSTTFB-NSHDSACASA-N 316.401 2.556 0 50 DFAA O=C([C@H]1CC(c2ccccc2)=NO1)N1CCC[C@H]1c1cccnc1 363223062 UGUFFLQGBXULHL-ZWKOTPCHSA-N 321.380 2.938 0 50 DFAA CN1CCC2(CCN(C(=O)c3coc4ccccc34)CC2)C1=O 364604260 JJBGQOCHURPPRH-UHFFFAOYSA-N 312.369 2.517 0 50 DFAA OCc1ccc(CN2CC[C@H](n3ncc4ccccc43)C2)cc1 374739181 XCZFSYRJHCVYIX-SFHVURJKSA-N 307.397 2.976 0 50 DFAA COc1ccccc1C(=O)Nc1ccc2c(c1F)CCNC2 375072723 ZXFQUEZIKRCHKJ-UHFFFAOYSA-N 300.333 2.732 0 50 DFAA CCN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1F 377415331 BZYJFSZELXRIGD-ZDUSSCGKSA-N 318.392 2.970 0 50 DFAA CO[C@H](C)CC(=O)NC[C@@H]1CCCCN(Cc2ccccc2)C1 378111033 HTUFYSXWWCWUMV-AEFFLSMTSA-N 318.461 2.830 0 50 DFAA CC(C)c1ncc(Cl)c(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)n1 378228917 FJIPQSBICXPZPJ-RYUDHWBXSA-N 323.824 2.752 0 50 DFAA Cc1cc(C)nc(-c2ccc(C(=O)N3CCCC[C@@H]3CN)cc2)n1 426541513 QJZQAPPYCAXBRY-QGZVFWFLSA-N 324.428 2.714 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)c2[nH]c(C)c(C(=O)O)c2C)on1 426555639 NWRDUCMQHLKGPT-NSHDSACASA-N 317.345 2.603 0 50 DFAA C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2C[C@]23CCNC3)C1 444210829 ITNVAKYLYDYEOF-HOJAQTOUSA-N 312.457 2.857 0 50 DFAA C[C@H](Cc1cnn(C)c1)C(=O)N1CCc2cc(Cl)ccc21 457813053 SUSLGYPUFVQPBA-LLVKDONJSA-N 303.793 2.841 0 50 DFAA C[C@H](NC(=O)[C@H](N)Cc1ccccc1)[C@@H]1Oc2ccccc2[C@@H]1C 491050329 MCSIUFVNKKQGIE-OJFPTFHUSA-N 324.424 2.626 0 50 DFAA CN1CC[C@H](NC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 584891997 VUMWPVNXDFVPQS-RDVIWEACSA-N 308.491 2.509 0 50 DFAA Cc1cc(NC(=O)CSC[C@H]2CCCCO2)c(Cl)nn1 585124991 CGRFGJOGFXOZFE-SNVBAGLBSA-N 315.826 2.679 0 50 DFAA O=C(Cn1cc(C2CC2)cn1)Nc1nc2c(s1)CCCC2 665549039 HVUWQTZIAKAIGY-UHFFFAOYSA-N 302.403 2.735 0 50 DFAA CO[C@@H]1CCC[C@H](CC(=O)NCc2cccc(C(=O)O)c2)C1 668273671 INQOSJFBMNDPDS-SWLSCSKDSA-N 305.374 2.596 0 50 DFAA C[C@H]1CCOCCN1C(=O)Cc1csc(-c2ccoc2)n1 775252653 GNPWSQSDHMKYBI-NSHDSACASA-N 306.387 2.583 0 50 DFAA CN(Cc1ccccc1)C(=O)N1CCC[C@H](n2ccnn2)CC1 824526139 WTSWHHOTSXXTJY-INIZCTEOSA-N 313.405 2.557 0 50 DFAA C[C@H]1Cc2cc(CNC(=O)c3noc4c3CCCC4)ccc2O1 830848684 QIEICPVGPGQPJN-NSHDSACASA-N 312.369 2.807 0 50 DFAA CN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(C2CC2)nc1O 863981926 WHOSQKUHGLWVIN-UHFFFAOYSA-N 319.311 2.610 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CC[C@H](c4n[nH]cc4N)C3)c(C)c2c1 864384705 METUBUWHSLAWBD-LBPRGKRZSA-N 323.400 2.720 0 50 DFAA CC1(C)C[C@@H](n2ncc3c(O)ccc(F)c3c2=O)C(C)(C)O1 899358567 YVUALTYAAUHQHI-GFCCVEGCSA-N 306.337 2.760 0 50 DFAA Cc1cc(F)ccc1[C@H](C)n1cc(COc2ncccn2)nn1 899735156 DDLWGXIBMMWBHQ-LBPRGKRZSA-N 313.336 2.704 0 50 DFAA CC(C)Cn1cncc1CN1CCN(CC2CCCC2)CC1 1506407620 KKYMOJJLPKOPJS-UHFFFAOYSA-N 304.482 2.847 0 50 DFAA Oc1cccc(CN2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)c1 1565526693 ONFINLONFAKGKG-MOPGFXCFSA-N 323.440 2.884 0 50 DFAA COc1ccc2nc(CNc3nc(C)ncc3Cl)[nH]c2c1 1704313961 VAJDCRYPLIABGT-UHFFFAOYSA-N 303.753 2.935 0 50 DFAA CCn1ccc2c(CN3C[C@H]4CCCN4C(=O)[C@H]3C)cccc21 1772703688 YUZGSTPKLRVDKD-GDBMZVCRSA-N 311.429 2.856 0 50 DFAA CN1C[C@H](CN2CCC3(CCc4ccccc43)CC2)CCC1=O 1775980272 WZRYAORRVAXXLG-MRXNPFEDSA-N 312.457 2.835 0 50 DFAA O=C(O)[C@@H]1CC12CCN(C(=O)CC=Cc1ccc(F)cc1)CC2 1857529021 YHZYPKRKCNCHFO-HNNXBMFYSA-N 317.360 2.942 0 50 DFAA CC[C@H](NC[C@H](C)C[C@H](C)O)[C@H](C)NC(=O)OC(C)(C)C 1875273990 SNRAGLZCFQDJMC-RFGFWPKPSA-N 302.459 2.675 0 50 DFAA Cc1cccc([C@H](CN)C(=O)N2CCC[C@]23CCCSC3)c1 1875292667 PBXCYEYACNPYKV-FUHWJXTLSA-N 318.486 2.926 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCC(F)(F)CC3)n[nH]c21 1875395053 IPNVBZJLBQVXDV-ZJUUUORDSA-N 313.348 2.693 0 50 DFAA C[C@H](O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 100027 ZJWKLJSZYMCZQD-SFYZADRCSA-N 309.460 2.871 0 50 DFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl 123767 XVWQUPZLGTUXBN-UHFFFAOYSA-N 314.728 2.575 0 50 DFAA COc1ccc(CNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 215247 XNVMDMWGPLQKOE-HOTGVXAUSA-N 317.385 2.759 0 50 DFAA aggregator O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cc2ccccc2o1 303275 KSWJCIJABFIRIM-SFHVURJKSA-N 307.305 2.846 0 50 DFAA COc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1OC 459059 LLKLSQHJJOUZSZ-UHFFFAOYSA-N 302.282 2.652 0 50 DFAA CCNC(=O)c1sc(=S)n(-c2ccc(OCC)cc2)c1N 1477234 NKHPSLSKMIRPRU-UHFFFAOYSA-N 323.443 2.999 0 50 DFAA CCCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12 2333603 TUNIMBRGCIFXMZ-UHFFFAOYSA-N 306.431 2.984 0 50 DFAA OC1CCC(NC2CCN(CCc3ccccc3)CC2)CC1 3683711 UDGXWKZNEAFUKZ-UHFFFAOYSA-N 302.462 2.587 0 50 DFAA O=CNCCCc1nc2ccccc2n1CCOc1ccccc1 4810020 YTUNFKDQMODRCH-UHFFFAOYSA-N 323.396 2.794 0 50 DFAA COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 57291722 KJCCQLLFLMQWNF-AWEZNQCLSA-N 314.341 2.532 0 50 DFAA O=C(Nc1ccccc1F)c1c(O)c2cccc3c2n(c1=O)CC3 100662936 FPKCCPLQLBSQHH-UHFFFAOYSA-N 324.311 2.655 0 50 DFAA CC(=O)NC1CCN(C(=O)c2c(C)c(C)cc(C)c2C)CC1 55042153 MJOVXQYNOYVFDA-UHFFFAOYSA-N 302.418 2.661 0 50 DFAA CC[C@H](C)[C@@H](CO)NC(=O)CCn1c(C)cc2ccccc21 55271097 RUHFCWATGMNWQZ-XJKSGUPXSA-N 302.418 2.863 0 50 DFAA CC(C)c1noc(CCNC(=O)c2cn(C)c3ccccc23)n1 68478922 IRZFRYGMUGEFQW-UHFFFAOYSA-N 312.373 2.657 0 50 DFAA COc1cccc(NC(=O)[C@@H](C)n2ncc3ccccc3c2=O)c1 65362129 CYIHEEGLBMZLSU-GFCCVEGCSA-N 323.352 2.605 0 50 DFAA NC(=O)c1cccnc1Oc1cccc(CN2CCCC2)c1F 67885320 KQXIETWXBHACLH-UHFFFAOYSA-N 315.348 2.708 0 50 DFAA O=C(NCCOC1CCCCCC1)c1ccc2c(c1)OCCO2 118357782 HAGBJNKCGBOSJT-UHFFFAOYSA-N 319.401 2.927 0 50 DFAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cccc(-n2cnnc2)c1 65467165 VULQVDNRJCTHNX-QLFBSQMISA-N 308.385 2.599 0 50 DFAA Cc1ccc(SCCN2CC(=O)N[C@@H]3CCCC[C@H]32)cc1 230123318 NDGRITSVRZFZGP-HZPDHXFCSA-N 304.459 2.830 0 50 DFAA FC(F)(F)c1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)[nH]n1 354424603 GGNBBUAQIZQGQW-ZDUSSCGKSA-N 315.339 2.820 0 50 DFAA CC(=O)c1ccc(-n2cnnc2CCc2ccccc2O)cc1 67655056 BITGPRQCCWQWIB-UHFFFAOYSA-N 307.353 2.961 0 50 DFAA COC(=O)c1nc(-c2cccc(N3CCCC3=O)c2)cs1 253425097 OUMBEZQORKISTN-UHFFFAOYSA-N 302.355 2.724 0 50 DFAA COCC[C@H]1COCCN1c1nc(C(F)F)nc2ccccc12 253427863 DTYXHRIXPJQXGQ-NSHDSACASA-N 323.343 2.809 0 50 DFAA CCC(CC)n1nccc1C(=O)N1CCC[C@@H]1c1ncc[nH]1 329220429 BIVYUUCQTXURPI-CYBMUJFWSA-N 301.394 2.945 0 50 DFAA O=C(NC[C@@H](O)C1CCCCC1)c1ccc2nc(S)oc2c1 150771882 XSJLVBHBAQGJTP-CYBMUJFWSA-N 320.414 2.788 0 50 DFAA C1=C(c2cccc3ccccc23)CN(c2ccc3nnnn3n2)C1 362042539 CCDZPSCXKXWPDA-UHFFFAOYSA-N 314.352 2.576 0 50 DFAA CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc3c(c1)CC(C)(C)O3)C2 216068287 AJORNVPSEIOOJO-DOTOQJQBSA-N 300.446 2.926 0 50 DFAA CN(C)C[C@]1(CO)CCCN(Cc2cc(F)cc(Cl)c2)C1 215618728 RHMZEMPSLUYASZ-MRXNPFEDSA-N 314.832 2.615 0 50 DFAA Cn1cncc1CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 216250178 IKKOQQIFMPFVTL-CQSZACIVSA-N 309.417 2.751 0 50 DFAA CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@@H](C)CCn1cccn1 284463068 ARDUHXRPRDSBHB-ZOBUZTSGSA-N 317.437 2.559 0 50 DFAA Cc1cccc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1C 379256676 FQAFOERXTJOKCL-DGCLKSJQSA-N 300.324 2.798 0 50 DFAA CCc1sc(C(=O)Nc2nncs2)cc1Br 339006187 WUFCZSMOMRFNGK-UHFFFAOYSA-N 318.221 3.177 0 50 DFAA C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCCc1cccs1 174899113 ZYYJDIWNIUCUJP-SUMWQHHRSA-N 303.427 2.962 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(N3CC[C@@H](N)C3)nc2)n1 72154777 INRIJUZLJHSPAP-CQSZACIVSA-N 321.384 2.644 0 50 DFAA Cc1sc2ccccc2c1CN1CCOC[C@@H]1CC(=O)O 72127147 QILPFTYQJWHHAB-LBPRGKRZSA-N 305.399 2.885 0 50 DFAA COc1cccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c1 71282156 KTLYDUOFQYUYQB-LBPRGKRZSA-N 301.346 2.890 0 50 DFAA O=C(NC[C@H]1CCOC1)Nc1ccc(OC(F)(F)F)cc1 43192434 CTANRKJYUZZTOP-SECBINFHSA-N 304.268 2.743 0 50 DFAA C[C@H]1C[C@H](NCC2CCN(Cc3ccccc3)CC2)CCN1C 178634556 PYJONMFCDLNGBD-FXAWDEMLSA-N 315.505 2.971 0 50 DFAA CC1(C)CC[C@@H](c2nc(-c3cnc(C4CC4)nc3N)no2)O1 289087188 NMZOVELIVOWDEH-JTQLQIEISA-N 301.350 2.616 0 50 DFAA O=C(Nc1cnn(Cc2ccccc2)c1)c1ccn(C(F)F)n1 138530044 URTSZBHPPVQUED-UHFFFAOYSA-N 317.299 2.775 0 50 DFAA COC(C)(C)CNC(=O)N1CCN(c2ccccc2C)C[C@@H]1C 426551725 ANCLAIMNYCAVEI-HNNXBMFYSA-N 319.449 2.640 0 50 DFAA CN(C(=O)c1ccc(Cl)cc1Br)[C@@H]1CCNC1 179095148 KYJMOZFRUMYKCE-SECBINFHSA-N 317.614 2.536 0 50 DFAA Cc1ccc(N2CC[C@@H](CNC(=O)c3ccn(C)c3C)C2)cc1 426730520 UVBTYKJKZPPRJI-INIZCTEOSA-N 311.429 2.898 0 50 DFAA CCCc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)o1 95382346 JQERWMJUSJDNKV-HUUCEWRRSA-N 319.449 2.810 0 50 DFAA CO[C@H]1CCCOC12CCN(c1nnc(C3CCC3)o1)CC2 95352404 OPRRLIKSXHLEMU-ZDUSSCGKSA-N 307.394 2.502 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)COc2cccc(Cl)c2)C1 91757820 VBRWWSXIFXXOIS-CYBMUJFWSA-N 322.836 2.804 0 50 DFAA CCn1c(NC(=O)c2c(C)nn(C)c2C)nc2cc(C)ccc21 182467219 NQDDOKGHLQQCQY-UHFFFAOYSA-N 311.389 2.967 0 50 DFAA C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CNC[C@H]2CCCO2)C1 269224953 PXKOXRLNUFFRFM-CPUCHLNUSA-N 320.408 2.504 0 50 DFAA O=C(O)c1ccccc1OCCN1CCCC[C@H]1c1cn[nH]c1 183936464 OAZSIEISCNDFAY-HNNXBMFYSA-N 315.373 2.714 0 50 DFAA CC(C)(C)c1csc(CNC(=O)C2(Cn3ccnc3)CC2)n1 534675212 KTFQEEQDPWVYHN-UHFFFAOYSA-N 318.446 2.734 0 50 DFAA Cc1ccsc1-c1cccc(C(=O)N[C@H]2CCCNC2=O)c1 299759108 OBPLNRYRTGZIGO-AWEZNQCLSA-N 314.410 2.732 0 50 DFAA C[C@@H]1CCc2c(sc3nc(-c4ncc(O)cn4)nc(O)c23)C1 585137090 HTRUUMLANFVWSV-SSDOTTSWSA-N 314.370 2.684 0 50 DFAA CO[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3s2)C1 906913152 IMAZFTOZANDCCU-GFCCVEGCSA-N 311.428 2.701 0 50 DFAA CCCCc1ncc(CN2CCC(c3n[nH]c(C)n3)CC2)[nH]1 670471150 NKIIRJCCRVUXIQ-UHFFFAOYSA-N 302.426 2.558 0 50 DFAA CNC(=O)C1(C)CCN(CC[C@H](C)CCCC(C)(C)O)CC1 670468809 WOKPAPQSXZTVGF-OAHLLOKOSA-N 312.498 2.802 0 50 DFAA COCCc1noc([C@H]2CCCN(CC3=CCCCC3)C2)n1 670440223 VPJINZRLKWNENO-HNNXBMFYSA-N 305.422 2.938 0 50 DFAA Cc1nn(C)c2ncc(CNC[C@H]3COc4ccccc4C3)cc12 920761681 JAZVSFAXVCFCEX-HNNXBMFYSA-N 322.412 2.618 0 50 DFAA CC(=O)Nc1cc(C2=CCN(C(=O)OC(C)(C)C)C2)ccn1 1875319629 LAYARLLHJVHTRA-UHFFFAOYSA-N 303.362 2.674 0 50 DFAA CC1(C)CCC[C@H]1OC(=O)[C@H]1CCCN(c2cc(O)ncn2)C1 1875305649 WKYNOCIQUTVZRK-QWHCGFSZSA-N 319.405 2.521 0 50 DFAA O=C1CCCN1[C@H]1CCC[C@H](N=c2c(F)c[nH]cc2Cl)C1 1875392787 UOMFRQNMVOQGQE-QWRGUYRKSA-N 311.788 2.642 0 50 DFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N(C)CC1(C)COC1)(C3)C2 952990485 WRKPTAJEUSSSGJ-ZWQIFLOQSA-N 321.461 2.593 0 50 DFAA Cc1cccc(Cl)c1OCCNC(=O)[C@H](C)Cn1cccn1 952987251 LBPJBCKRIWLVQT-CYBMUJFWSA-N 321.808 2.676 0 50 DFAA CN(Cc1ncc[nH]1)C[C@H]1CCCCN1C(=O)OC(C)(C)C 1775987843 YIKZGSSJGPWLKE-CYBMUJFWSA-N 308.426 2.631 0 50 DFAA C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)C1 1434349373 BTEURXNTJMQXJP-DVOMOZLQSA-N 313.463 2.656 0 50 DFAA O=C(NCc1cccnc1)c1csc(-c2ccc(O)cc2)n1 726379982 XOEBKNTXLGFLQN-UHFFFAOYSA-N 311.366 2.841 0 50 DFAA Cc1cc(NC(=O)CCn2cccn2)nn1-c1cccc(F)c1 170592204 VKBRWLUTWKDMOP-UHFFFAOYSA-N 313.336 2.545 0 50 DFAA CC[C@H](NC(=O)[C@H]1CCN(C)c2ccccc21)[C@@H](O)C(C)C 585087196 IURBNRSKNADZGG-ZOBUZTSGSA-N 304.434 2.522 0 50 DFAA COc1cc2c(N3CC[S@](=O)C[C@@H](C)C3)ccnc2cc1F 281342778 BSMHNGNMKYGUAW-SAHAZLINSA-N 322.405 2.587 0 50 DFAA CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 222276567 HAMGQDAMZCYPRL-KFWWJZLASA-N 310.438 2.750 0 50 DFAA CC(C)(C)N(Cc1ccccn1)C(=O)c1cn(C(C)(C)C)nn1 191959035 QLGGKVOXKOPBDO-UHFFFAOYSA-N 315.421 2.869 0 50 DFAA Cc1ccnc(NC(=O)Cc2nc(-c3ccsc3)oc2C)n1 194673016 OGZJKMZCIIKMCG-UHFFFAOYSA-N 314.370 2.991 0 50 DFAA COc1ccc(F)c(CN2CCn3c(nnc3C(C)(C)C)C2)c1 668769323 YTNGYSTUGNRHQF-UHFFFAOYSA-N 318.396 2.739 0 50 DFAA C[C@H](CN1CCCCCC1)NCc1nc(-c2ccccc2)n[nH]1 1506427221 LEIBWMVQHAROQR-OAHLLOKOSA-N 313.449 2.826 0 50 DFAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccc(C2CC2)cc1 1615547435 UJKANBIIUKHEFD-HOTGVXAUSA-N 324.346 2.836 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=O)[C@H](CC)c2ccccc2)C1 5666226 BTVNYNOTJHDXSS-JKSUJKDBSA-N 303.402 2.982 0 50 DFAA CCN(CCO)CC1CCN(CCc2ccccc2C)CC1 11817885 LBLUBTPEEZOCSS-UHFFFAOYSA-N 304.478 2.564 0 50 DFAA COC(=O)CCCC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1 12315054 NRDGMKHDMNJLQC-OAHLLOKOSA-N 322.380 2.572 0 50 DFAA CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 12864497 ZMDVNTHMVKXMEL-CYBMUJFWSA-N 320.408 2.983 0 50 DFAA Cc1ccc(C)c(N2C[C@H](C(=O)N3CCCCC3)CC2=O)c1 13955723 BKININYJVQZVEU-OAHLLOKOSA-N 300.402 2.669 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1 19349137 WISMGBFTJZVIFK-UHFFFAOYSA-N 316.351 2.923 0 50 DFAA Clc1cnccc1CN1CCc2[nH]nc(C3CC3)c2CC1 1857696976 HGYGFWQVTNFGAV-UHFFFAOYSA-N 302.809 2.936 0 50 DFAA CCOC(=O)C(=CNc1ccc(F)c(Cl)c1)C(=O)OCC 100229525 QCUVGLQBYVPXDN-UHFFFAOYSA-N 315.728 2.901 0 50 DFAA in-vitro Cc1cc(I)cnc1NC(=O)C(C)(C)C 619735 LRQWADXLVLGBSY-UHFFFAOYSA-N 318.158 2.979 0 50 DFAA in-vitro C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1ccn(CC(F)(F)F)n1 110691468 CZCGGTKTGZMLPJ-OUAUKWLOSA-N 318.343 2.645 0 50 DFAA Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(C)(C)O)cc1 15442631 ZTVQXNICBNVQJO-MRXNPFEDSA-N 319.426 2.786 0 50 DFAA in-vitro O=C(O)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 136515707 ABTHQJJNQPRCMO-SGMGOOAPSA-N 309.312 2.534 0 50 DFAA CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)COCC1CC1 253427854 OESUCVYELYPUKP-UHFFFAOYSA-N 316.401 2.659 0 50 DFAA O=C(O)CC[C@H]1Cc2ccccc2N(C(=O)Cc2cccnc2)C1 902822208 SIWLFQLJYWBEGQ-HNNXBMFYSA-N 324.380 2.694 0 50 DFAA CC(C)(C)C[C@H](O)Cc1nc(Cc2ccc3c[nH]nc3c2)no1 809479684 NRBNELCGELFJKN-CYBMUJFWSA-N 314.389 2.876 0 50 DFAA O=C(Nc1cccc(Cc2nn[nH]n2)c1)[C@@H]1CCCC(F)(F)C1 910047424 NJODRLKBEZOXLF-LLVKDONJSA-N 321.331 2.555 0 50 DFAA COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc(C)c(C)cn1 933498262 LAZCRDSVQVATOJ-OAHLLOKOSA-N 312.369 2.961 0 50 DFAA Cn1cc(Br)c(-c2nnc(-c3ccccc3)o2)n1 2785584 LCUOHBPNKOUPTM-UHFFFAOYSA-N 305.135 2.900 0 50 DFAA C(=C/c1nn2c(-c3cccnc3)nnc2s1)\c1cccnc1 4710223 CLVFCWHVKLWKGH-AATRIKPKSA-N 306.354 2.813 0 50 DFAA O=C(NCCc1ccccc1)c1cncc(Br)c1 121125 CWYQVUZCCKLIGP-UHFFFAOYSA-N 305.175 2.817 0 50 DFAA O=C(Cc1ccccc1)N1N=CC[C@]1(O)c1ccc(Cl)cc1 276631 CFZPMDIYVFWNQZ-KRWDZBQOSA-N 314.772 2.946 0 50 DFAA CC(=O)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 283735 YRKXBIKDUWMGSO-UHFFFAOYSA-N 308.186 2.509 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 458316 ZZLPLVXNGLUDCG-CQSZACIVSA-N 302.374 2.785 0 50 DFAA O=C1C[C@@H](C(=O)N2CCCc3ccccc3C2)C2(CCCC2)O1 2356148594 HYMGBLOMEVMXMA-INIZCTEOSA-N 313.397 2.837 0 50 DFAA O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1 2837168 AZBKTIYCPARLSD-UHFFFAOYSA-N 301.173 2.944 0 50 DFAA COc1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1 2856834 KYHNWYTZMVNJSW-UHFFFAOYSA-N 301.371 2.603 0 50 DFAA CCCCCNS(=O)(=O)c1cccc(Br)c1 7307960 JNKMWBVQCVFSJI-UHFFFAOYSA-N 306.225 2.918 0 50 DFAA O=C(O)[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1C(F)(F)F 345512506 XQXXMXJOWLERGD-CHWSQXEVSA-N 324.302 2.930 0 50 DFAA Cc1ccc(CN2CCN(CC(C)(C)C)C[C@H]2CCO)cc1 104511230 USWCVSHWSSSPPP-GOSISDBHSA-N 304.478 2.910 0 50 DFAA C/C(=C\c1ccccc1)CN1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 421383836 DPKBRQTVLWSWDH-OVGBVBOLSA-N 312.335 2.686 0 50 DFAA CCCN1CCN(c2ccccc2CN(C)C[C@H](C)OC)CC1 348833958 ONNJZOXESXBIOA-KRWDZBQOSA-N 319.493 2.685 0 50 DFAA CC(C)c1cc(-c2nnc3sc(-c4ccncc4)nn23)[nH]n1 22502727 RXOVVCZHIWGXCB-UHFFFAOYSA-N 311.374 2.761 0 50 DFAA COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccco1 252477082 HVGFFDFRDWPNKU-RFGFWPKPSA-N 305.374 2.621 0 50 DFAA c1ccc(-c2ncc(CN[C@H]3CCN4CCCC[C@@H]34)cn2)cc1 229227946 APWSGPAFMPHVRC-ROUUACIJSA-N 308.429 2.860 0 50 DFAA Cc1cc(CC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)n[nH]1 121228586 SMJQQOYBJHRZIJ-CQSZACIVSA-N 301.390 2.992 0 50 DFAA CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)CN(C(C)C)C1=O 328594767 BIMULGRTBRMCOQ-ZDUSSCGKSA-N 320.389 2.828 0 50 DFAA Cc1cc(F)ccc1CN1CC[C@@H](N(C)Cc2ncccn2)C1 328631381 KMHBPEWMZUPPED-QGZVFWFLSA-N 314.408 2.630 0 50 DFAA Cc1c(Br)c(C(=O)N[C@@H]2CCCC[C@@H]2C)nn1C 2780852 MRPWRDQJDWMOJO-WCBMZHEXSA-N 314.227 2.800 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 282431527 GBNQGKZIDVYNTO-GOEBONIOSA-N 317.364 2.551 0 50 DFAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cc2ccccc2[nH]1 328630826 QGDDWHJTEGJGES-ZDUSSCGKSA-N 308.385 2.699 0 50 DFAA COc1ccc(CN(C)CCC2(O)CCCC2)cc1C(=O)O 215365817 NHLHQWDQHQZEDX-UHFFFAOYSA-N 307.390 2.520 0 50 DFAA Cc1ncc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c(C2CC2)n1 369154727 VVCSNVSYRJRFMZ-INIZCTEOSA-N 323.396 2.956 0 50 DFAA CSCc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1F 237379890 KJWWIBRSKAIPST-UHFFFAOYSA-N 311.378 2.626 0 50 DFAA Cc1n[nH]c(C)c1CN1CCC2(CC1)C(=O)Nc1ccccc12 215173007 AUFOQXMENXCNIX-UHFFFAOYSA-N 310.401 2.512 0 50 DFAA CC(=O)N1CC[C@](C)(C(=O)NCc2c(C)oc3ccccc23)C1 373364719 VMAMUBRQWGURIS-SFHVURJKSA-N 314.385 2.616 0 50 DFAA CC(C)c1ccc(C(=O)NCCc2ccccc2F)c(=O)n1C 215552058 IGNNCGHUUSVOQT-UHFFFAOYSA-N 316.376 2.620 0 50 DFAA CCNc1ncc(CN2CCc3c([nH]c4ccccc34)C2)cn1 223877412 DDIGGSIEGZZNFG-UHFFFAOYSA-N 307.401 2.948 0 50 DFAA Cc1ccc(N2C[C@@H](C)N(Cc3cccc(C)n3)CC2=O)cc1 82137269 UAJMSEAAICEBAO-MRXNPFEDSA-N 309.413 2.936 0 50 DFAA Cc1ccc(Cl)c(NC(=O)CSc2nnc(C)n2C)c1 17032212 WPAKCZRCBCUYSN-UHFFFAOYSA-N 310.810 2.816 0 50 DFAA O=C(NC1CC1)c1ccnc(CC[C@H]2COc3ccccc3O2)c1 223719812 DIWFMKWCYHJABD-INIZCTEOSA-N 324.380 2.746 0 50 DFAA CC(C)c1cc(C(=O)N2CC[C@H](C(=O)O)C2)c2ccccc2n1 178274123 KWKUVTWCXAJUET-LBPRGKRZSA-N 312.369 2.905 0 50 DFAA Cc1ccc(SCCN(C)C(=O)NCc2ncc(C)[nH]2)cc1 426534507 SVIACNKPDXDMET-UHFFFAOYSA-N 318.446 2.960 0 50 DFAA CCc1cccc(OCCN(C)C(=O)C[C@H]2CCCOC2)c1 426372278 PGNBNKYNMVFSRE-MRXNPFEDSA-N 305.418 2.903 0 50 DFAA Cc1ccc(-c2nnc(N(C)C3CC3)n2C[C@H]2CCOC2)s1 291676119 YXABZZUCONALSR-GFCCVEGCSA-N 318.446 2.950 0 50 DFAA CNC(=O)[C@H]1Cc2ccccc2N1C(=O)Cc1cc(C)cc(C)c1 622874827 HWPXKPDJOFQIBS-GOSISDBHSA-N 322.408 2.550 0 50 DFAA CCc1ncnc(N(C)[C@H]2CCO[C@@H]2c2cccnc2)c1F 299742820 KSBRARVCMSVDLJ-DZGCQCFKSA-N 302.353 2.540 0 50 DFAA O=C(O)[C@@H]1CC(=O)N(Cc2cccs2)[C@H]1c1ccccc1 601014522 NITBULCGQQKAOW-HIFRSBDPSA-N 301.367 2.923 0 50 DFAA Cc1ccccc1NC(=O)NCc1nc(C(F)(F)F)no1 635529064 ZXLPFINBSVYMDZ-UHFFFAOYSA-N 300.240 2.719 0 50 DFAA Cc1nccn1CC[C@@H](C)N1CCC(CN2CCCC2)CC1 821740562 SHIMRGYPEXSVRB-MRXNPFEDSA-N 304.482 2.778 0 50 DFAA CN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@H]1CCCO1 670463513 SJGNHBARVQTOIE-MRXNPFEDSA-N 312.413 2.559 0 50 DFAA CCc1onc(C)c1NC(=O)N1CCC(c2ncc[nH]2)CC1 270393251 DBFXCPCOUHAJHB-UHFFFAOYSA-N 303.366 2.680 0 50 DFAA C[C@]1(CNCc2cccc3[nH]c4ccccc4c23)COC(=O)N1 1875318455 QNNUACQOJPGRHY-SFHVURJKSA-N 309.369 2.909 0 50 DFAA C=CC(=O)N(Cc1cc(F)cc(OC)c1)C[C@@](C)(O)C1CC1 1875382069 POGQMBAKPWBPFA-QGZVFWFLSA-N 307.365 2.510 0 50 DFAA COC1(c2noc(-c3cccc4nc(CO)[nH]c34)n2)CCCC1 952877960 XCJZJECPTSUJHS-UHFFFAOYSA-N 314.345 2.521 0 50 DFAA O=S(=O)(Nc1nocc1C1CC1)c1c[nH]c(C(F)(F)F)c1 1875279894 KHUOLLKBOYHETO-UHFFFAOYSA-N 321.280 2.700 0 50 DFAA Cc1cnn([C@@H]2CCN(C[C@@](O)(c3ccccc3)C(C)C)C2)c1 1875259907 AVQJMSYQNFYZIC-MOPGFXCFSA-N 313.445 2.982 0 50 DFAA Cc1n[nH]c(C)c1CCNCc1cnn(-c2cccc(F)c2)c1 952982907 QFZYANXLNYJHCY-UHFFFAOYSA-N 313.380 2.684 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)CN2CCCC[C@@H]2C)c1C 952963091 HOXPMUGAPLZEMJ-NSHDSACASA-N 316.405 2.698 0 50 DFAA CC(=O)N[C@H](C)CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 952980017 DZSJVKMKBXSUHZ-GFCCVEGCSA-N 319.405 2.524 0 50 DFAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCC[C@@H]2C[C@H]21 890247940 IAMQJMOMNBXFOC-BRWVUGGUSA-N 310.401 2.818 0 50 DFAA CC1(c2cc(NS(=O)(=O)c3cccc(F)c3F)on2)CC1 1775993129 ALROPMAODNNLRP-UHFFFAOYSA-N 314.313 2.805 0 50 DFAA Cc1cc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c(F)cc1F 393343036 HCIGMQRRJYUAFG-PRHODGIISA-N 322.277 2.767 0 50 DFAA C[C@H](CCO)C1(CNC(=O)NC2Cc3ccccc3C2)CCC1 273967990 QPSUKQUWJRLQSE-CQSZACIVSA-N 316.445 2.642 0 50 DFAA OCc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)o1 275711180 YGPNKUJGYADYMB-MRXNPFEDSA-N 301.390 2.711 0 50 DFAA CC1(C)C[C@@H](NC(=O)[C@@H]2CCN(c3ccccc3)C2)CCO1 408519470 AMIOEUZLYNFIHF-CABCVRRESA-N 302.418 2.587 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)N1CC[C@@H]1Cc1ccccc1 408513077 QEPSSFDYDVRLLI-OAHLLOKOSA-N 318.417 2.745 0 50 DFAA CO[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(Cl)c1 110631447 SSGOYQGEWZNWGX-LXTVHRRPSA-N 309.793 2.711 0 50 DFAA CCc1nc(C2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n[nH]1 190718540 PBEZFQMMUAMJOJ-NSHDSACASA-N 318.425 2.814 0 50 DFAA CC(F)(F)c1ccc(C(=O)N[C@H]2CCc3cncn3C2)cc1 644806545 QUPSMTQCPOPTMO-ZDUSSCGKSA-N 305.328 2.740 0 50 DFAA FC(F)(F)Oc1ccc(CN2CCOC[C@]23CCOC3)cc1 193735238 JDZNCFKUZUJLLU-CQSZACIVSA-N 317.307 2.577 0 50 DFAA CC(C)c1nc(C(=O)NC2CC2)nn1-c1ccccc1Cl 194744011 GEUFCFQAIQXLOV-UHFFFAOYSA-N 304.781 2.936 0 50 DFAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(C)c2)C1=O 981719 LIURFJGQEPATSQ-ZDIKFAODSA-N 305.355 2.593 0 50 DFAA COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@]3(C)C2)c2c1CCCC2 1772812728 PNHMQZDSRWUNAC-SJCJKPOMSA-N 321.442 2.605 0 50 DFAA Cc1ccc(S(=O)(=O)/C(=C/c2cccs2)NC=O)cc1 6088194 KLCGWFNVCYCQAN-NTEUORMPSA-N 307.396 2.575 0 50 DFAA Cc1ocnc1C(=O)N[C@@H]1CCCN(CC2CCCCC2)C1 12596967 LVSDYFXJCJTFEY-OAHLLOKOSA-N 305.422 2.758 0 50 DFAA CCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1 16527107 QNZXKGPFYZGLMK-UHFFFAOYSA-N 311.809 2.994 0 50 DFAA Cc1cc(Cl)ccc1-c1nccn1C[C@H]1CC(=O)N(C)C1 1857667173 BVQOIPPVKUNZBM-LBPRGKRZSA-N 303.793 2.990 0 50 DFAA COc1cnc(C)cc1-c1nc(-c2ccccc2)nn1CCCO 1857679088 WMKLRGCGEBCMSA-UHFFFAOYSA-N 324.384 2.707 0 50 DFAA C[C@@H]1CN(C(=O)c2cnc(-c3ccccc3Cl)s2)CCN1 237378419 PCXJHKUKJWDWFS-SNVBAGLBSA-N 321.833 2.897 0 50 DFAA COCC(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 408521947 ASIVCENPZQHANL-LURJTMIESA-N 302.161 2.693 0 50 DFAA CC[C@]1(CO)CCCN1C(=O)Nc1ccc(C(C)(C)C)nn1 225490199 WCVAUJXUZYAOMQ-MRXNPFEDSA-N 306.410 2.543 0 50 DFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)C1=CCCC1 333743933 YNDXMYMPLCDNCX-AWEZNQCLSA-N 317.437 2.857 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(Oc2cccnc2)cc1 238083133 MBHKBRASPNMYCH-OAHLLOKOSA-N 312.325 2.563 0 50 DFAA O=C(O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 238174546 SPSZMERQXGSTHV-RKDXNWHRSA-N 302.157 2.688 0 50 DFAA Cn1ccnc1[C@@H]1CCN(C(=O)CNc2cccc(Cl)c2)C1 677362330 JGXWWXOLHUDHQY-GFCCVEGCSA-N 318.808 2.502 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2cc(O)nc3ccccc23)CCO1 153372187 PPCQBCWXAANVLO-NSHDSACASA-N 300.358 2.628 0 50 DFAA COc1ccc(Cc2nc([C@H](C)c3cnccn3)no2)c(C)c1 904131295 GJSXEWSJKXHRTK-GFCCVEGCSA-N 310.357 2.919 0 50 DFAA O=C1CCCN1CCC1CCN(C(=O)Nc2ccccc2)CC1 613427 VKJPHYOEYXJDPA-UHFFFAOYSA-N 315.417 2.943 0 50 DFAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnn2cccnc12 4127318 NCORJFPHGKZAQM-UHFFFAOYSA-N 310.401 2.676 0 50 DFAA c1cc2c(-c3noc(COC[C@@H]4CCCOC4)n3)cc[nH]c-2n1 2325788840 KMZARUPJWSADQY-LLVKDONJSA-N 314.345 2.508 0 50 DFAA Cc1[nH]c2ccccc2c1CCC(=O)N[C@@H]1CCC[C@H](O)C1 2325807552 CDJNEQZILQTITR-KGLIPLIRSA-N 300.402 2.829 0 50 DFAA CN1CCN(Cc2ccn3nccc3c2)C[C@@H]1Cc1ccccc1 2325857419 ATMULFMLNYAIEM-FQEVSTJZSA-N 320.440 2.693 0 50 DFAA O=C(NCc1cccs1)[C@](O)(c1ccccc1)C(F)(F)F 2325874513 PHFGBPDFAFURDJ-CYBMUJFWSA-N 315.316 2.814 0 50 DFAA CC(C)NC(=O)C1CCN(Cc2nc3cc(F)ccc3o2)CC1 150866580 JQEBYMWBZAHLCI-UHFFFAOYSA-N 319.380 2.704 0 50 DFAA COc1cc([C@@H]2NCCc3cc(OC)c(OC)cc32)ccc1O 89367 JENMGPOBQLZJEQ-SFHVURJKSA-N 315.369 2.653 0 50 DFAA biogenic CCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccco1 2836398 XKFURRVFRLHECV-KAMYIIQDSA-N 315.325 2.622 0 50 DFAA Cc1ccc(Cl)cc1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356163344 YVGLWNAPONOWER-KRWDZBQOSA-N 320.820 2.875 0 50 DFAA Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)c1ccccc1 3524370 ZXMBDKVIJKSUJC-LBPRGKRZSA-N 300.333 2.891 0 50 DFAA Cc1cc(C(F)(F)F)c2c(n1)sc1c(=O)[nH]c(O)nc12 4451200 MIURSZSGWNJTPY-UHFFFAOYSA-N 301.249 2.566 0 50 DFAA CC(C)Cc1nnc(SCC(=O)Nc2ccccc2)n1C 6701078 HHNTWTJHAKNYQS-UHFFFAOYSA-N 304.419 2.744 0 50 DFAA COc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 10542834 ULBDGPIPCSAWGS-GJZGRUSLSA-N 304.434 2.793 0 50 DFAA COC(=O)c1ccc2nc(C)c(CN3CCCC3)c(O)c2c1 8581159 MSHMGIVYOUMUBT-UHFFFAOYSA-N 300.358 2.631 0 50 DFAA CCC(=O)Nc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 247014851 IXTNDSRGHQLGLT-NUEKZKHPSA-N 316.401 2.578 0 50 DFAA COc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 101749143 LYJUWOLHXJASTH-TUVASFSCSA-N 313.353 2.547 0 50 DFAA C[C@H](c1nccs1)N(C)C(=O)c1cnnn1-c1ccccc1 65385414 JLMCZBWIBRHOLW-LLVKDONJSA-N 313.386 2.557 0 50 DFAA COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)cc1 101359472 FWHAWEQYBQLNQH-OTRWWLKZSA-N 309.365 2.953 0 50 DFAA CCOC1CCN(Cc2cc3ccc(OC)cc3[nH]c2=O)CC1 67947954 ILZGSBAZPPWKSO-UHFFFAOYSA-N 316.401 2.538 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2cccc3ncn(C)c23)cc1 346822846 JCWVKHONQTVKSE-UHFFFAOYSA-N 308.341 2.784 0 50 DFAA Cc1cc(C)n(CCN2CCO[C@H](c3ccc(F)cc3)C2)n1 68804647 WSHDHTBKSRABQU-KRWDZBQOSA-N 303.381 2.713 0 50 DFAA OCC[C@@H]1CN(C2CCCC2)CCN1Cc1ccccc1F 20540968 CEJOJHRGTKBJGL-QGZVFWFLSA-N 306.425 2.637 0 50 DFAA CC1=C(Cc2cn(CCN3CCOC3=O)nn2)C(C)(C)CCC1 67676546 ZBTVIFOUHUAVDL-UHFFFAOYSA-N 318.421 2.799 0 50 DFAA CCCN1CCC(Cc2noc(-c3cccnc3OC)n2)CC1 67677292 WNUJSBUSHDLHLG-UHFFFAOYSA-N 316.405 2.805 0 50 DFAA C/C=C(\CC)CN1CC[C@H](CNC(=O)c2cccc(N)c2)C1 67821662 FEZNITVZLBSDOA-PHTHZBSUSA-N 301.434 2.677 0 50 DFAA CN(Cc1ccc2nsnc2c1)Cc1cnn(C)c1C1CC1 71614378 MRZWFVQREOUJFN-UHFFFAOYSA-N 313.430 2.934 0 50 DFAA CCN(C(=O)c1nnc2ccccc2n1)[C@H](C)c1cccnc1 253418347 ONKRLLOWOYJZPJ-GFCCVEGCSA-N 307.357 2.643 0 50 DFAA O=C(c1c[nH]nc1-c1ccccn1)N1CC(c2ccccc2F)C1 361212267 MKWBFJURTPMAIZ-UHFFFAOYSA-N 322.343 2.850 0 50 DFAA COc1ccc2cc([C@H]3CN(C(=O)N(C)C)CCO3)ccc2c1 71779953 RTQWUUSYHVWKKH-QGZVFWFLSA-N 314.385 2.903 0 50 DFAA Cc1ccc2nc(C)c(C(=O)N[C@H](C)Cn3cccn3)cc2c1 31397459 QNEQIEUNROBXOV-CYBMUJFWSA-N 308.385 2.867 0 50 DFAA Cc1nc(S)sc1CC(=O)N(C)OCc1ccccc1 156368332 MRSBCHNLIJUNFC-UHFFFAOYSA-N 308.428 2.873 0 50 DFAA COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1 215741231 FAWHHQQPSJWREG-UHFFFAOYSA-N 319.380 2.980 0 50 DFAA COc1ccc(CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1 246028597 NGWALPIKVQNSPO-RCCFBDPRSA-N 308.381 2.833 0 50 DFAA O=C(O)[C@@H]1CCCN1Cc1ccc(OCC(F)(F)F)cc1 262684742 XKODWLVMZNUPGW-LBPRGKRZSA-N 303.280 2.677 0 50 DFAA CN(Cc1cc(-c2cccnc2)no1)C(=O)Cc1ccsc1 77487057 FFBKVKOJIJMDPE-UHFFFAOYSA-N 313.382 2.999 0 50 DFAA CN(Cc1ccc2nonc2c1)Cc1cc(-c2ccncc2)no1 72170037 QMDMRWOQKKNZIC-UHFFFAOYSA-N 321.340 2.905 0 50 DFAA CSCc1nc(CCNC(=O)Cc2cccc(O)c2)cs1 222797159 QNYVTGPQFRTWJC-UHFFFAOYSA-N 322.455 2.613 0 50 DFAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)C[C@H]1CCCC(=O)N1 288640815 PELVRMIXTRLABO-OAHLLOKOSA-N 314.429 2.932 0 50 DFAA C[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(-n2ccnn2)cc1 179220751 YWOZINICJSCZDD-LLVKDONJSA-N 323.356 2.624 0 50 DFAA CN(C(=O)Cc1nc2ccccc2[nH]1)[C@H]1CCOC(C)(C)C1 426647936 OAHGPFXJADWXPT-LBPRGKRZSA-N 301.390 2.521 0 50 DFAA Cc1n[nH]c(C(=O)NCc2cc(-c3ccccc3)on2)c1Cl 97495213 ACYLVOROOHYHLS-UHFFFAOYSA-N 316.748 2.957 0 50 DFAA c1cnnc(-c2noc(Cn3c(C4CC4)nc4ccccc43)n2)c1 91380991 AQBFNRIFXDEQSM-UHFFFAOYSA-N 318.340 2.802 0 50 DFAA COCCCN1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2 95508162 STNXGBCDURJKNU-UHFFFAOYSA-N 316.445 2.538 0 50 DFAA Cc1noc2ncnc(N(C)Cc3cc(-c4cccnc4)no3)c12 95358020 YLAGRQOQMRXAMU-UHFFFAOYSA-N 322.328 2.613 0 50 DFAA CC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)cc(OC)c2)C1 91706661 OEWARLJOPIDMDE-MRXNPFEDSA-N 311.809 2.973 0 50 DFAA O=C(O)Cn1cnc(-c2ccccc2)c1-c1cccc2nonc12 91440846 TXNLKXRERRZLQF-UHFFFAOYSA-N 320.308 2.838 0 50 DFAA Cc1nc2c(c(N[C@@H](C)CN(C)C)n1)Cc1ccccc1OC2 96161552 XCSALXXZUIECBL-LBPRGKRZSA-N 312.417 2.630 0 50 DFAA O=C(NC1CCCCC1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 252539138 NTYRCTWJSGUNIO-IVMMDQJWSA-N 303.406 2.526 0 50 DFAA CC[C@@H](NC(=O)N(C)Cc1cc(C2CC2)on1)c1ccnn1C 534588329 VCVSHDNLCFHLLS-CYBMUJFWSA-N 317.393 2.578 0 50 DFAA O=C(NCc1ccc2c(c1)CCCO2)c1n[nH]c2c1CCCC2 299758470 NIKXCSBZAVDJIC-UHFFFAOYSA-N 311.385 2.544 0 50 DFAA CCN(CCn1cccn1)C(=O)Nc1ccc2nc(C)[nH]c2c1 299780807 BJJAPHNGWSGNKY-UHFFFAOYSA-N 312.377 2.622 0 50 DFAA Clc1ccc([C@H](CNc2cnccn2)N2CCCC2)cc1 584885372 ZXIVHHVCANRTNJ-HNNXBMFYSA-N 302.809 3.379 0 50 DFAA O=C1CCc2c1cccc2C(=O)NCCCC[C@@H]1CCCO1 670462266 HPWPVTVZHNUNSW-CYBMUJFWSA-N 301.386 2.895 0 50 DFAA C[C@@H](CNc1nc(Cl)nc2c1cnn2C)c1ccncc1 872474071 BPZMYAZJKLQLHT-VIFPVBQESA-N 302.769 2.627 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccc(CN)cc1 1875315377 RKTKRQQUJZXNFY-CQSZACIVSA-N 315.442 2.647 0 50 DFAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc(-c3ccncc3)c2)cn1 1875380840 BUYCATXQTWNKJJ-JPYJTQIMSA-N 320.396 2.745 0 50 DFAA OCc1cc(CCNc2ccc(C(F)(F)F)cn2)ccc1O 952992980 UFYNMWNIZIODJZ-UHFFFAOYSA-N 312.291 2.953 0 50 DFAA CC(C)(C)OC(=O)N1CCC(O)([C@@H](N)C2CCCCC2)CC1 958527611 BGVGIXIHUADRNQ-AWEZNQCLSA-N 312.454 2.656 0 50 DFAA Cc1cnn(CCC(=O)Nc2cc(C)c3nc(N)sc3c2)c1 952984466 WAGIJMPJXZYAMP-UHFFFAOYSA-N 315.402 2.721 0 50 DFAA CC(=O)c1ccccc1NC(=O)N1CCOC[C@H]1C1CCC1 1775988657 IPTGQWDGXOBUNU-INIZCTEOSA-N 302.374 2.922 0 50 DFAA Cc1nnsc1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 170606260 TYQIYHOGDVSKBL-UHFFFAOYSA-N 319.777 2.938 0 50 DFAA C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cn[nH]c1 187082243 GGSDZDRFTXIZFN-QMTHXVAHSA-N 305.765 2.665 0 50 DFAA Cc1ccc(N2CCOCC2)cc1NCc1c(C)nn(C)c1C 281732240 RCPHZMXUYMVAOH-UHFFFAOYSA-N 314.433 2.794 0 50 DFAA C[C@@H](NCc1cnc(Cl)n1C)[C@@H](c1ccccc1)N(C)C 585091250 ZTECZBIUIJTRRK-DOMZBBRYSA-N 306.841 2.855 0 50 DFAA CCOc1cccnc1C(=O)N1CC[C@@H](Cc2ccncc2)C1 679864157 HJDRTKCEIMYMGG-HNNXBMFYSA-N 311.385 2.580 0 50 DFAA Cc1ncc(CC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)o1 639579147 BMMJPCXVRLTFNW-WBMJQRKESA-N 300.358 2.514 0 50 DFAA C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H]1OCCc2ccccc21 222012923 MCSXTZHNXPCOPY-SRCQZFHVSA-N 315.369 2.522 0 50 DFAA O=C(O)c1ccc(C(=O)NCCc2cc(F)ccc2F)cc1 192964658 MNNHLIZGMSFIKT-UHFFFAOYSA-N 305.280 2.636 0 50 DFAA Fc1cccc(F)c1Cc1noc([C@H]2CCCc3nn[nH]c32)n1 663157621 IJXZNZAYKCKJPX-QMMMGPOBSA-N 317.299 2.525 0 50 DFAA CC1(CCC(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529191891 IHMVXNNPFHABBQ-NVXWUHKLSA-N 303.402 2.528 0 50 DFAA CCC[C@H]1CN(C(=O)Nc2cc(F)ccc2C)C[C@@H]1NC(C)=O 216980211 VFIAECDOFAAJQY-BBRMVZONSA-N 321.396 2.903 0 50 DFAA CC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2C)n1C 5209566 FBVCDXHQHMQWAL-LBPRGKRZSA-N 318.446 2.797 0 50 DFAA Cc1cc(C)cc(C[C@H]2CC(=O)N(Cc3cc(C)on3)C2=O)c1 16319979 BRRAJSSXBSVWMJ-HNNXBMFYSA-N 312.369 2.718 0 50 DFAA Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)c(C)o1 16580772 VSQXUYJGTSFGSA-UHFFFAOYSA-N 312.413 2.897 0 50 DFAA Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1F 17855661 KZUYKYUDUJSSJA-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA Cc1sc2ccccc2c1-c1nccn1Cc1nc(O)n[nH]1 1857675498 AZFCDCUTWLBOGA-UHFFFAOYSA-N 311.370 2.945 0 50 DFAA O=C(Nc1ccc(F)cc1)N[C@H]1COC[C@H]1Cc1ccncc1 1875250736 CLXJGHJSTMFXAK-CJNGLKHVSA-N 315.348 2.600 0 50 DFAA O=C(N[C@@H](CCc1ccccc1)C(=O)O)OCc1ccccc1 2391140 GUWSQYJXSRIJCI-INIZCTEOSA-N 313.353 2.999 0 50 DFAA in-vitro CCn1cc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cn1 114241661 OJUHQHHSNKSHPW-INIZCTEOSA-N 310.401 2.528 0 50 DFAA CC(=O)Nc1ccc(CCNC(=O)Nc2ccc(F)cn2)cc1 122250665 BGLHFAFANWFGMO-UHFFFAOYSA-N 316.336 2.543 0 50 DFAA C[C@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)[C@H](c2ccco2)C1 237704334 GWGVTLOVGACITE-FZMZJTMJSA-N 314.341 2.986 0 50 DFAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)CC2CCCCC2)O1 239672561 BTXCEDNMLBFNQB-OJLVUWQFSA-N 323.433 2.667 0 50 DFAA O=C(CCc1nc2ccccc2nc1O)N1C[C@H]2CCC[C@@H]1C2 248075542 ZTIYACJQEWHEFH-QWHCGFSZSA-N 311.385 2.669 0 50 DFAA CCOc1ccc([C@H](COC)NC(=O)c2csnc2C)cc1 252504198 VIDFVDNPYSIXSP-HNNXBMFYSA-N 320.414 2.968 0 50 DFAA Cc1ocnc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1 368494555 GBMOSNXZOXKANP-NVXWUHKLSA-N 313.401 2.796 0 50 DFAA CCc1csc([C@H](C)NC(=O)c2cc(O)nc(C3CC3)n2)n1 910741856 ZVIBXKKLGDSOCZ-QMMMGPOBSA-N 318.402 2.570 0 50 DFAA Cc1ccnc(NC(=O)c2c(Br)nc3n2CCC3)c1 823691970 ZWAAOQPPZBWXKT-UHFFFAOYSA-N 321.178 2.548 0 50 DFAA O=C(N[C@H]1CCc2ncsc2C1)[C@H]1CCc2cccc(O)c21 827764456 WBSFKIVDJQEKDR-RYUDHWBXSA-N 314.410 2.552 0 50 DFAA CCCc1cc(C(=O)NCCOc2ccccc2Cl)n(C)n1 4751257 UPFGCRLKULYSBI-UHFFFAOYSA-N 321.808 2.835 0 50 DFAA COC(=O)c1ccc(C)c(Nc2ncc(C)c(N(C)C)n2)c1 2100483391 QSNARQXRURAOST-UHFFFAOYSA-N 300.362 2.690 0 50 DFAA C[C@H](NCCn1nnc2ccccc21)c1ccc2c(c1)CCO2 2325783759 ZICCOCSAXGIISR-ZDUSSCGKSA-N 308.385 2.717 0 50 DFAA O=C(Nc1cc2ccccc2nn1)N1CCOC[C@@H]1CC1CC1 931798672 DILBLGAITBCZHO-AWEZNQCLSA-N 312.373 2.663 0 50 DFAA COc1ccc(S(=O)(=O)N2c3ccccc3OC[C@H]2C)cc1 1389036 FFBROMLEGXOUHZ-GFCCVEGCSA-N 319.382 2.671 0 50 DFAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1cccc(Cl)c1 4549349 IJNWTWFFQYTFMO-UHFFFAOYSA-N 313.748 2.632 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 4818457 IPDBSUZSHWFZDN-BLTAXRJOSA-N 324.163 2.826 0 50 DFAA COc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C(C)(C)C 6746604 NAQVXEPSSZCMNX-UHFFFAOYSA-N 308.403 2.735 0 50 DFAA Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NS(C)(=O)=O 10314314 KOABKGDCHWUWKO-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA CCNc1ncnc2sc(C(=O)N[C@H](CC)COC)c(C)c12 11869589 IFLFVKUJFWKMOX-SNVBAGLBSA-N 322.434 2.586 0 50 DFAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC[C@H]1CO 12586946 OEJAETRREJECPS-AWEZNQCLSA-N 308.328 2.885 0 50 DFAA O=C(CC[C@@H]1CCCN(C(=O)c2ccsc2)C1)NC1CC1 12836224 HIVHNTFTDQYAIQ-LBPRGKRZSA-N 306.431 2.659 0 50 DFAA CCC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 13613982 LQGQYJPHDVPCGN-UHFFFAOYSA-N 312.325 2.986 0 50 DFAA Cc1cccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c1 14632482 AVWHITFZAVWFOC-KBPBESRZSA-N 321.373 2.836 0 50 DFAA CCN(CC)CCNC1CCN(CCc2ccccc2)CC1 19635841 MINSWOXZKJMWJI-UHFFFAOYSA-N 303.494 2.625 0 50 DFAA CC(C)CCN1CCN(Cc2ccc(F)cc2)C[C@@H]1CCO 20914769 USDRMAQWTNGSMN-SFHVURJKSA-N 308.441 2.740 0 50 DFAA CC(C)c1nccc(CN2CC[C@@H](CNC(=O)C(C)(C)C)C2)n1 67691090 INLOJGVOSQLUDB-AWEZNQCLSA-N 318.465 2.584 0 50 DFAA Cc1nc[nH]c1CN1CCCC12CCN(c1ccccn1)CC2 72433226 RWNPUASDSGRKPS-UHFFFAOYSA-N 311.433 2.748 0 50 DFAA O=C(O)C1(Oc2ccccc2F)CCN(c2nccs2)CC1 72458688 ZYFSNKZDQWXDSO-UHFFFAOYSA-N 322.361 2.785 0 50 DFAA CC(C)n1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)cn1 77376093 HPMAUGCHQNCPHA-UHFFFAOYSA-N 323.400 2.622 0 50 DFAA Cc1ccc(OC2CCN(C(=O)c3snnc3C)CC2)cc1 77489454 CTQSFJIUXASGSP-UHFFFAOYSA-N 317.414 2.839 0 50 DFAA CC[C@]1(CO)CCCN(C(=O)c2ccc3c(c2)CCCO3)C1 91269943 IWPDTRDUCXVEIK-SFHVURJKSA-N 303.402 2.636 0 50 DFAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1ccccc1F)C2 95357105 FOEZEUYCRUJZBY-VQIMIIECSA-N 313.372 2.796 0 50 DFAA CCCc1nnc(N[C@@H]2CCCN(Cc3cccc(O)c3)C2)o1 95379096 ITESTHLTQLYILH-CQSZACIVSA-N 316.405 2.804 0 50 DFAA CC(C)N1CCC(C(=O)N2CC(Oc3ccccc3F)C2)CC1 95518733 HDIDXBSCKQGAGH-UHFFFAOYSA-N 320.408 2.536 0 50 DFAA Cc1nn(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)c1Cl 113897733 OOWSPCCEMMLACC-CYBMUJFWSA-N 321.812 2.630 0 50 DFAA CCOC(=O)C(C)(C)C(=O)Nc1nc2c(s1)CCCCC2 134579519 IGCQJDZIABETJG-UHFFFAOYSA-N 310.419 2.940 0 50 DFAA CC1(NC(=O)CCn2c(S)nnc2-c2cccs2)CCC1 156513837 QUCJSGVNHORPBT-UHFFFAOYSA-N 322.459 2.744 0 50 DFAA Cc1c(CCC(=O)Nc2cc(Cl)cc3c2OCC3)cnn1C 167862596 KJXBNVVICLWDBS-UHFFFAOYSA-N 319.792 2.888 0 50 DFAA C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ncc[nH]1 170597556 MHDFQSUCEFGVEX-NSHDSACASA-N 305.345 2.712 0 50 DFAA C[S@](=O)Cc1ccccc1NC(=O)Nc1ccc(O)cc1 170604303 SUBPHYQJKLRZDR-NRFANRHFSA-N 304.371 2.915 0 50 DFAA O=C(O)CCCCCCNCc1cccc(-n2cccn2)c1 170612888 ABWRQZQZIOXCFO-UHFFFAOYSA-N 301.390 2.997 0 50 DFAA CC(=O)Nc1ccccc1CN1CCC[C@@H]1CN1CCCC1 179647311 FZPRVOWJOBVCJW-QGZVFWFLSA-N 301.434 2.705 0 50 DFAA Cc1csc2c(Sc3nnc(CO)n3C3CC3)ncnc12 192735493 FJKNMBATFUYEDB-UHFFFAOYSA-N 319.415 2.570 0 50 DFAA CCOc1ccccc1N1CCN(Cc2nccn2CC)CC1 195513718 ZBVWCQOSMJSKMR-UHFFFAOYSA-N 314.433 2.624 0 50 DFAA O=C(c1cc(C2CC2)no1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225667659 WQINDQLQVJDJHY-DZGCQCFKSA-N 316.332 2.639 0 50 DFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccccc2)on1 229385766 DKRWMEPTCGZZEN-ZBFHGGJFSA-N 311.385 2.698 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 238003099 QAUWBXQMUWSBEL-LLVKDONJSA-N 311.328 2.611 0 50 DFAA COC[C@H](NC(=O)Nc1ccccc1SC)c1ccnn1C 244866477 VWWDJHYIIJRCRO-LBPRGKRZSA-N 320.418 2.651 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCCO[C@@H]1CCOC1 246693953 YUQSLYJYTOKINI-QKPAOTATSA-N 310.438 2.545 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1csc(C2CC2)n1 247113072 PGTLACIYEXAUPR-DRZSPHRISA-N 320.414 2.878 0 50 DFAA O=C(CC[C@H]1CCNC1)N(CCc1ccc(F)cc1)C1CC1 261822460 MPRFRYHJCXFCLK-HNNXBMFYSA-N 304.409 2.749 0 50 DFAA Cc1cc(CCNC(=O)N2CCC(C(=O)O)CC2)ccc1Cl 263398793 RTTMFHSWLNOZFH-UHFFFAOYSA-N 324.808 2.697 0 50 DFAA Cc1noc([C@@H]2CCCN(c3cc(Br)ccn3)C2)n1 274657055 IFXDHUMBUVJBEF-SNVBAGLBSA-N 323.194 2.920 0 50 DFAA CCOCc1cccc(NC(=O)c2cc(C)nc(NC)n2)c1 280892354 ZRQVTORFXNGNLC-UHFFFAOYSA-N 300.362 2.616 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 282431528 GBNQGKZIDVYNTO-HOCLYGCPSA-N 317.364 2.551 0 50 DFAA COc1ccc(F)c(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1 289084091 ODQMIRGVKZCVLP-QWHCGFSZSA-N 321.396 2.925 0 50 DFAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(C(C)C)no3)[C@H]2C1 299782859 XVGAGMFYEOMCAD-ISTRZQFTSA-N 322.405 2.597 0 50 DFAA CCCCc1ccc(NC(=O)N(C)C[C@H]2COCCO2)cc1 299794191 JUPRULXHOVRSRN-INIZCTEOSA-N 306.406 2.908 0 50 DFAA CCc1ccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)o1 354148102 HJUJXDKMXBHYID-SFHVURJKSA-N 312.413 2.775 0 50 DFAA Cc1ccc(Cl)c(S(=O)(=O)NC(=O)C(C)C)c1Cl 408108428 UWHJYUHAMLHKCM-UHFFFAOYSA-N 310.202 2.763 0 50 DFAA Cc1ccc2c(c1)cc(C(=O)NCCc1cccc(O)n1)n2C 426442946 NBVKLFKOMGIBGX-UHFFFAOYSA-N 309.369 2.560 0 50 DFAA CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2cncn2C)c1 426580975 LRGVBBXPTHAIGZ-INIZCTEOSA-N 313.401 2.728 0 50 DFAA CCc1cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)cs1 534664736 NEJZNNOBANIFEB-CYBMUJFWSA-N 306.435 2.956 0 50 DFAA O=C(C[C@@H]1CCOC1)NCc1cc(-c2ccccc2F)no1 584884988 OIBHWMTVYGGAPI-NSHDSACASA-N 304.321 2.524 0 50 DFAA COC(=O)[C@@H](c1cccc(O)c1)N(C)Cc1ccc(OC)cc1 585116919 MIJJXQNDSXNQOV-QGZVFWFLSA-N 315.369 2.747 0 50 DFAA CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1nnc(C)s1 585131911 JWBBIZIMTACIOO-MRVPVSSYSA-N 311.798 2.724 0 50 DFAA O=C(NCC1(c2ccccc2)CC1)c1n[nH]cc1C(F)(F)F 606445650 XXGJCYISRXGOAP-UHFFFAOYSA-N 309.291 2.890 0 50 DFAA C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)C1CCC(F)CC1 659224114 OIRZCILMEGNENK-NUYPLMSZSA-N 307.365 2.960 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)C=C2CCCCC2)C12CCOCC2 770043459 IFEORNPBNADMPK-HZPDHXFCSA-N 307.434 2.967 0 50 DFAA Cc1cscc1C(=O)N[C@@H](C(=O)O)c1cc(F)ccc1F 776616468 JKEFRXUATCJYNY-GFCCVEGCSA-N 311.309 2.890 0 50 DFAA CNS(=O)(=O)CCSCc1c(Cl)cccc1Cl 857219657 MELHKZVRGVCRFP-UHFFFAOYSA-N 314.259 2.776 0 50 DFAA O=C(N1CCC[C@@](O)(c2ccccc2)C1)C1(C(F)(F)F)CC1 862803988 RJENKKYKDNNIRY-HNNXBMFYSA-N 313.319 2.839 0 50 DFAA c1cnc(N2CCCC2)c(Nc2nnc(-c3ccncc3)o2)c1 888098437 GCWVQMILTHTRJF-UHFFFAOYSA-N 308.345 2.870 0 50 DFAA Cc1cnc(-c2cccc(NC(=O)c3ncn(C(C)(C)C)n3)c2)[nH]1 888099899 ZWKALNWRVLGAAO-UHFFFAOYSA-N 324.388 2.984 0 50 DFAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[C@H]2C1 890271900 ICHAJPYRFOCZSK-SCRDCRAPSA-N 313.319 2.997 0 50 DFAA C[C@@]1(CNC(=O)C[C@H]2CCCC[C@@H]2O)OCCc2ccccc21 921834749 JHHOOFZTENPWTE-AYBZRNKSSA-N 317.429 2.532 0 50 DFAA Cc1cc(NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cn2ccnc12 931555032 UVMSFKUZPFUDGJ-OAHLLOKOSA-N 315.421 2.589 0 50 DFAA CC(=O)c1cc(CNCCCNc2ccc(C)cn2)n(C)c1 952860309 LVXYGONYWKCRKC-UHFFFAOYSA-N 300.406 2.523 0 50 DFAA Nc1ncccc1CNCCN1CCC[C@H](c2ccccc2)C1 952968244 BISXTRJZIOBRDZ-SFHVURJKSA-N 310.445 2.633 0 50 DFAA CCC1(CC)[C@@H](NC(=O)c2cccn3nccc23)C[C@@H]1OC 1433445807 DOAOPQXXVWVGFV-GJZGRUSLSA-N 301.390 2.658 0 50 DFAA CC(C)c1nc(N2CC3(CCNC(=O)O3)C2)cc(C(C)(C)C)n1 1650082708 MFXSGCNVQUMVGK-UHFFFAOYSA-N 318.421 2.586 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCC(=O)N(C)C1 1775982577 SBHQEAFZCOHHQA-LBPRGKRZSA-N 303.381 2.607 0 50 DFAA N[C@H]1C[C@@H](C(=O)N2CCc3c(cccc3C(F)(F)F)C2)[C@@H]2C[C@H]12 1857532974 KKNKXOQXSPMDJQ-COMQUAJESA-N 324.346 2.573 0 50 DFAA COc1ccc(NC[C@]2([C@@H]3CCCO3)CCCO2)c(OC)c1 1875275208 AFDUFKJSNCJPOP-IRXDYDNUSA-N 307.390 2.844 0 50 DFAA Oc1nc2ccc(-c3csc(C[C@H]4CCCNC4)n3)cc2[nH]1 1875290282 NNNJSCKEHAEJRU-SNVBAGLBSA-N 314.414 2.934 0 50 DFAA O=C(C[C@H]1CC[C@@H](C2CC2)O1)NC12CCC(C(=O)O)(CC1)CC2 1875304635 PWRZAXLBSAHBSG-LHVTWPBJSA-N 321.417 2.628 0 50 DFAA CN(CCc1cn(CCSC(F)(F)F)nn1)C(C)(C)C 2325772809 NCHMNFFUIBPWTI-UHFFFAOYSA-N 310.389 2.804 0 50 DFAA C[C@@H](c1ccccc1)[C@](C)(O)C(=O)OCc1cccnc1F 2325780882 WDTRLMHCEMZYIJ-SJCJKPOMSA-N 303.333 2.819 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 44675 JCIBIKRGXPVAFY-OAHLLOKOSA-N 322.364 2.881 0 50 DFAA COc1ccc([C@]2(C)N(O)[C@H](C)C(c3ccccc3)=[N+]2[O-])cc1 3904815 BXHARHWTXGNMMQ-FZKQIMNGSA-N 312.369 2.961 0 50 DFAA Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1Cl 4673514 YVXLUASTNMIXHE-UHFFFAOYSA-N 316.788 2.946 0 50 DFAA O=C(CCc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 4822573 BFRMURCQDBMRJT-UHFFFAOYSA-N 313.309 2.654 0 50 DFAA COCc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)o1 225539416 WTYOVCWQTRCUHI-ZFWWWQNUSA-N 319.332 2.513 0 50 DFAA COc1cccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c1 8247773 IVOJKSVXFOMMKR-CQSZACIVSA-N 324.380 2.995 0 50 DFAA COc1ccc(CN(C)C[C@@H]2CCCCO2)c(OC)c1OC 20272053 RBBFSWYIDMPNCQ-AWEZNQCLSA-N 309.406 2.713 0 50 DFAA COc1cc(C)ccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 20167255 SZLCESFNAYSBOH-HOTGVXAUSA-N 323.433 2.508 0 50 DFAA CC(=O)Nc1ccc(CN2CC[C@H](n3nc(C)cc3C)C2)cc1 65397366 KCIOCOMNGLAVFR-SFHVURJKSA-N 312.417 2.905 0 50 DFAA CCn1nc(C)c(CC(=O)N[C@@H](C)c2ccc(Cl)cn2)c1C 348796442 MMKRYDSIVBMGIY-NSHDSACASA-N 320.824 2.988 0 50 DFAA C[C@@H](C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)n1cccc1 137740921 IFTDVTQPVQYXBK-UONOGXRCSA-N 321.421 2.565 0 50 DFAA Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)c(C)n1 119366884 TWKWUYPSJPHWIT-UHFFFAOYSA-N 307.357 2.840 0 50 DFAA Cn1ncc2c(O)nc(N3CC4(CCC4)[C@@H]3c3ccccc3)nc21 330349444 JWWARCKAUHCBOG-AWEZNQCLSA-N 321.384 2.801 0 50 DFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cnn(C)c1 72431442 WFYPFRWOZOGLDE-UHFFFAOYSA-N 312.398 2.816 0 50 DFAA O=C(NCCCn1ccnc1)Nc1ccc(-c2ccccc2)nn1 120324277 OYXQBJVPWVFASK-UHFFFAOYSA-N 322.372 2.552 0 50 DFAA O[C@H](CN1CCC[C@@H]1C[C@H](O)c1ccco1)c1ccccc1 253421216 RYYRZTAFJJNREL-IXDOHACOSA-N 301.386 2.901 0 50 DFAA Cn1cncc1[C@H]1C[C@@H](NC(=O)Nc2ccsc2)CCO1 331417277 CGOIYAXBTDINBY-GXFFZTMASA-N 306.391 2.523 0 50 DFAA O=C(/C=C/c1ccnc2ccccc12)N1CC([C@H]2CCOC2)C1 366222734 JMZMVUKBCIKQHI-NFAHFFEMSA-N 308.381 2.743 0 50 DFAA CCc1occc1C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 373788814 LFTZWWNAQBITIF-SFHVURJKSA-N 310.353 2.578 0 50 DFAA O=C(CCc1ccc2c(c1)OCO2)NCc1cccc(F)c1 72117616 RLQJCSOOBQVSSM-UHFFFAOYSA-N 301.317 2.803 0 50 DFAA Cc1ncoc1C(=O)N1CCC[C@@H]1CC(=O)c1cccs1 333295712 GOLBHWNAIHGWLB-LLVKDONJSA-N 304.371 2.922 0 50 DFAA C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CCC(=O)O 262564037 ZNHRPMQYAMBRGK-LBPRGKRZSA-N 307.390 2.685 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](O)CC12CCC2 333767070 QLRZFDUCYHZMMN-AWEZNQCLSA-N 312.369 2.861 0 50 DFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)Cn1cccn1 31399310 WEXRMGNJNPLSHW-CYBMUJFWSA-N 324.384 2.594 0 50 DFAA CNC(=O)CCN(C)Cc1nc(-c2cccc(Cl)c2)oc1C 71422344 YBVHCEHDLZXOBK-UHFFFAOYSA-N 321.808 2.871 0 50 DFAA COc1cccc([C@](C)(CC(=O)O)NC(=O)c2cccs2)c1 263196293 NAZKKXFENINALL-INIZCTEOSA-N 319.382 2.877 0 50 DFAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCc1ccccn1 77337650 DBGITSPKEDWTJA-UHFFFAOYSA-N 320.396 2.859 0 50 DFAA CCc1c(C(=O)N[C@H](C(=O)N(C)C)C(C)C)[nH]c2ccccc12 215997720 GOXNXRJQKQPORK-HNNXBMFYSA-N 315.417 2.573 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286070091 CKDZVRGJXXMUQI-FVQBIDKESA-N 323.820 2.650 0 50 DFAA O=C(NCCC[C@H]1CCCC[C@H]1O)c1n[nH]c2ccccc12 134509568 UUDJLCPVSBFCAI-IUODEOHRSA-N 301.390 2.624 0 50 DFAA Cc1noc(C(C)(C)NC(=O)Nc2cnn([C@H](C)C3CC3)c2)n1 239869328 CYHPKUQTQLBVPM-SECBINFHSA-N 318.381 2.602 0 50 DFAA O=C(NC[C@@]1(O)CCOC1)Nc1ccccc1-c1ccccc1 179375960 UXVYDOKLLFBAMP-SFHVURJKSA-N 312.369 2.627 0 50 DFAA CCn1ncnc1[C@H](NC(=O)c1ccc(CSC)o1)C1CC1 222793924 JBIQDROTIKKOBH-CYBMUJFWSA-N 320.418 2.635 0 50 DFAA CN(C)c1nc(C2CC(N)C2)cc(N2CCC3(CCCC3)C2)n1 223628725 KXNKOIWPPVIHPI-UHFFFAOYSA-N 315.465 2.518 0 50 DFAA Cc1ncc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)c(O)n1 426436551 LMRLXRUZMGIIBM-OAHLLOKOSA-N 311.385 2.756 0 50 DFAA COC[C@H](NC(=O)c1oc(CO)cc1C)c1cccc(Cl)c1 292877177 AGNXGRBDJMIUHZ-AWEZNQCLSA-N 323.776 2.851 0 50 DFAA CC(C)(C)c1csc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 239302861 FRZPHMYLDRVIAB-GAIPPQHRSA-N 320.414 2.902 0 50 DFAA CC[C@H](C)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 239433213 XJDYMPVMDYGLSM-JMDOCYRQSA-N 315.369 2.793 0 50 DFAA CCc1cccc([C@H](C(=O)O)N(C)Cc2c(C)n[nH]c2C)c1 95378600 CNLSFXKIMXZOQH-MRXNPFEDSA-N 301.390 2.847 0 50 DFAA Nc1cc(F)c(I)cc1Br 258838015 VGPVCWBUGLODRK-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA CCn1cnnc1[C@H](C)NC(=O)c1ccc(Cn2cccc2)cc1 823592640 YXDOBRXTJIMSBF-AWEZNQCLSA-N 323.400 2.639 0 50 DFAA Cc1csc([C@@H](C)CNC(=O)c2ccn(C(F)F)n2)n1 584888752 NMNMJEIYRPVWQE-ZETCQYMHSA-N 300.334 2.577 0 50 DFAA Cc1conc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 871622301 HIFYEZRVUWGRDP-SECBINFHSA-N 315.398 2.928 0 50 DFAA Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)F)on2)c(C)o1 1875280128 WCESKPBNIWMPMS-UHFFFAOYSA-N 302.327 2.890 0 50 DFAA Oc1ccc(CN2CCN(CC[C@H]3CCCO3)CC2)cc1Cl 879447568 NXTNNTBRUUJLNY-OAHLLOKOSA-N 324.852 2.732 0 50 DFAA Cc1ccc2c(ccn2CC(=O)N[C@H](CO)Cc2ccccc2)c1 888088638 JUXWORZDKFTSBX-SFHVURJKSA-N 322.408 2.670 0 50 DFAA Cc1oc(C)c(C(=O)N2CCOc3ccccc3[C@@H]2CO)c1C 887107649 MMHINTXSNHBCPN-HNNXBMFYSA-N 315.369 2.773 0 50 DFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccoc1C 886079578 GAOQLORHSNSCLZ-WBVHZDCISA-N 303.406 2.806 0 50 DFAA Cc1ccc(-c2ncc(C(=O)N3CC[C@H]3CO)s2)c(C)c1 889136218 FSAAQCYHKNSJBX-LBPRGKRZSA-N 302.399 2.634 0 50 DFAA O=C(Nc1ncccn1)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1411905229 JWQHHATWFCNWSR-NWDGAFQWSA-N 305.284 2.820 0 50 DFAA Cc1ncsc1CCC(=O)N1CCCC[C@@H]1c1cncn1C 899844554 KOGYVCCXHHGTLM-CYBMUJFWSA-N 318.446 2.871 0 50 DFAA COc1cccc(-c2ccc(C(=O)N3C[C@H]4CCN[C@H]4C3)cc2)c1 1565507834 UIAOGGFYQAQDHG-MJGOQNOKSA-N 322.408 2.796 0 50 DFAA C[C@H]1CN(C(=O)c2scc3c2CCCC3)C[C@]1(O)C1CC1 1565529391 ADNCAIGXEQHRQZ-APPDUMDISA-N 305.443 2.860 0 50 DFAA CCc1nnc(S[C@H]2CCCc3c(Cl)ccnc32)n1N 1364286463 XRIKSVBNZJAQMY-JTQLQIEISA-N 309.826 2.772 0 50 DFAA Cn1c([C@@H]2CCCN2Cc2ccc(CO)o2)nc2c1CCCC2 275560719 NVFJWLOYADLMHX-KRWDZBQOSA-N 315.417 2.721 0 50 DFAA C[C@H]1OCCC[C@H]1C(=O)NC1CCC(O)(c2ccccc2)CC1 277009818 IABAKNXSNQKHPP-HCMQPCSISA-N 317.429 2.748 0 50 DFAA NC(=O)c1cccc(CN2CCOc3c(Cl)cccc32)c1 170665873 WYGIEOWWQPSKCM-UHFFFAOYSA-N 302.761 2.838 0 50 DFAA c1cc(-n2nccc2CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccn1 668179841 DRSFRFYPYRHWDY-QZTJIDSGSA-N 324.428 2.801 0 50 DFAA Cc1nc([C@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](C)O)cs1 585126662 FMPORWJHISTMOF-FFFICINHSA-N 308.447 2.816 0 50 DFAA CN(CCc1nccn1C)Cc1ccccc1CN1CCCC1 1506416719 YJVZBEMDEZHDFO-UHFFFAOYSA-N 312.461 2.690 0 50 DFAA CCc1ncnc(NCc2nc3ccc(OC)cc3[nH]2)c1F 1506419990 PHSCNTKODALUHN-UHFFFAOYSA-N 301.325 2.675 0 50 DFAA CC[C@H](Nc1nc(N)c2cnn(C)c2n1)c1nc(C)c(C)s1 1529195879 PCFRORAHQAZJBD-JTQLQIEISA-N 317.422 2.582 0 50 DFAA CN1CCC[C@]2(CO)CCN(Cc3ccccc3Cl)C[C@@H]12 1704316191 ZUQFYBMXMXEWKW-IAGOWNOFSA-N 308.853 2.619 0 50 DFAA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(C1CCCC1)C2 216920078 VPEKUIBOZJTJPZ-ZBFHGGJFSA-N 317.433 2.657 0 50 DFAA Cc1cc(N2CCN(c3nc(C)ncc3Cl)CC2)cc(C)n1 1704307500 IAGXOBLIQAJINS-UHFFFAOYSA-N 317.824 2.777 0 50 DFAA C[C@H](NC(=O)CN1CCCCC1=O)c1ccc(Cl)s1 123711799 VOIXAKTWZMUKCC-VIFPVBQESA-N 300.811 2.591 0 50 DFAA CCC1(C(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)COC1 1616019038 KOAPNEPMLYTSOK-HNNXBMFYSA-N 313.319 2.933 0 50 DFAA CCOCCN(C[C@H](C)C(=O)O)C[C@@H]1CCOc2ccccc21 1615002691 HIJMXXRZUMDUAL-GJZGRUSLSA-N 321.417 2.612 0 50 DFAA C[C@H]1CC2(CCN(C(=O)CCc3cccc(O)c3)CC2)CO1 1772816256 JKWIJZKYXBBQME-AWEZNQCLSA-N 303.402 2.742 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)Nc2cnn3c2CCCC3)c1 1642632786 MKMNTMMRSZMHMD-UHFFFAOYSA-N 310.357 2.596 0 50 DFAA Cc1cc(C)c(C(=O)CSc2nc(C)cc(=O)[nH]2)c(C)c1 5042666 KBVMDSNGVYBBOO-UHFFFAOYSA-N 302.399 2.979 0 50 DFAA Cc1cccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1 11355055 YNVWVLNQGOGMDB-LSDHHAIUSA-N 300.402 2.749 0 50 DFAA Cn1c(S)nnc1-c1cc2c(C(F)(F)F)nn(C)c2s1 15923735 DGTHKCCCRANFBW-UHFFFAOYSA-N 319.337 2.738 0 50 DFAA O=c1cc2[nH]n(-c3ccccc3)c(=O)c2cn1Cc1ccccc1 19894234 LXKPZHNFFKRJQJ-UHFFFAOYSA-N 317.348 2.529 0 50 DFAA CCN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 4472333 GGPVRAWQLCIBHV-MDWZMJQESA-N 323.370 2.769 0 50 DFAA O=C1NC[C@@H]2[C@@H]1CCCN2Cc1c(Cl)ccc2cccnc12 1857531776 CLYNRFJPWJJRRQ-SWLSCSKDSA-N 315.804 2.599 0 50 DFAA C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1576313 CTXPLTPDOISPTE-WCQYABFASA-N 309.362 2.570 0 50 DFAA biogenic,in-vitro CCc1ncc(NC(=O)NC(C)(C)c2ncc(C)s2)cn1 118995659 MDFFWJSXQBNXGR-UHFFFAOYSA-N 305.407 2.861 0 50 DFAA O=C(O)CCC1CCN(C(=O)c2cc(O)ccc2Cl)CC1 236417627 VRMAECVNJHNLOB-UHFFFAOYSA-N 311.765 2.763 0 50 DFAA Nc1c(C(=O)N2CCOC[C@@H]2C2CC2)ccnc1-c1ccccc1 375090257 NSEVYVWPNKWZQR-MRXNPFEDSA-N 323.396 2.582 0 50 DFAA CCO[C@@H](C)C(=O)N1CCC(c2ccccc2C(=O)O)CC1 376274065 CGCWTYYTQVEFGR-LBPRGKRZSA-N 305.374 2.516 0 50 DFAA CCc1ocnc1C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1 262679434 ZHJKUVJNXTWXPA-UHFFFAOYSA-N 322.748 2.617 0 50 DFAA O=C(N[C@H]1CCCSC1)c1nc(-c2ccccc2)ns1 902890152 FGRAKTUGGYBKFC-NSHDSACASA-N 305.428 2.831 0 50 DFAA C[C@@H]1CNC[C@H]1Cc1nc(Cc2ccccc2OC(F)F)no1 904546074 NQJAEPDDUQQDCZ-ZYHUDNBSSA-N 323.343 2.660 0 50 DFAA Cc1ccc([C@@H](O)CN2CCC(Cc3noc(C)n3)CC2)cc1 932245319 XIFLZSWBOGAVEW-KRWDZBQOSA-N 315.417 2.675 0 50 DFAA N=c1nc([C@@H]2CCN(Cc3ccccc3-c3ccccc3)C2)[nH][nH]1 2325800452 IGLVNNBBMSEHIP-MRXNPFEDSA-N 319.412 2.874 0 50 DFAA O=C(O)c1ncoc1[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 2325802913 FANWLCYDGDGKOB-NEPJUHHUSA-N 304.346 2.783 0 50 DFAA C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)c1cccnc1O 2325807712 OCLQOHGZGMRKIV-DGCLKSJQSA-N 322.792 2.531 0 50 DFAA Cn1nc(COc2ccc(N3CCCC3=O)cc2)cc1Cl 863454182 SHOPULJTWJSHLR-UHFFFAOYSA-N 305.765 2.779 0 50 DFAA COc1ccc(C(=O)Nc2cccc3nsnc23)cc1OC 281766 UXPJVFXJDQYEOT-UHFFFAOYSA-N 315.354 2.961 0 50 DFAA CCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 340062 UZJASABMURCXEM-UHFFFAOYSA-N 309.416 2.840 0 50 DFAA Cc1c(NC(=S)NC(=O)c2cccs2)cccc1C(=O)O 463167 OOLKETREXAILDQ-UHFFFAOYSA-N 320.395 2.882 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)[C@H]1CCCO1 1054521 SFPXYUTUHAVKMB-SMDDNHRTSA-N 300.358 2.947 0 50 DFAA CCOC(=O)[C@@H](C(C)=O)[C@H](CC(C)=O)c1ccc(OC)cc1 1681244 RXJJDNNJRDDOLP-CVEARBPZSA-N 306.358 2.526 0 50 DFAA Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 4842548 NVBYCTRRIOFQBO-UHFFFAOYSA-N 324.789 2.548 0 50 DFAA CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2)c2ccccc21 4993124 PPUJWXRLGSTSLO-GOSISDBHSA-N 324.380 2.680 0 50 DFAA 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O=C(O)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1 4641419 QMXJMLPXSYQTQQ-UHFFFAOYSA-N 314.746 2.746 0 50 DFAA Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCCCC2)cc1 4851457 PZQYWDOTKPEMJN-UHFFFAOYSA-N 310.463 2.538 0 50 DFAA CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC1CCCCCC1 7807621 SHNRMZNVZIJFIF-HNNXBMFYSA-N 306.406 2.873 0 50 DFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)cc1 100097327 KUTGAPTWYPKOSN-UHFFFAOYSA-N 315.369 2.576 0 50 DFAA COc1ccc(CN2CC[C@H](CCO)C2)c(Br)c1 347865262 ZMPCVPKKFLAGRW-LLVKDONJSA-N 314.223 2.662 0 50 DFAA O=C(NC[C@H]1CCCN(c2ccncc2)C1)c1ccccc1F 1506421871 KJRLIJYLSJFOOH-CQSZACIVSA-N 313.376 2.867 0 50 DFAA CCc1nccn1C[C@@H](C)N(C)CCOc1ccccc1OC 1506420675 AEDPHCHQWFISAK-OAHLLOKOSA-N 317.433 2.853 0 50 DFAA COc1cccc(N2CC[C@@H](CNC(=O)[C@@H]3CC=CCC3)C2)c1 229426037 GAFKKLMDMAYNNJ-JKSUJKDBSA-N 314.429 2.994 0 50 DFAA CS(=O)(=O)CCN1CCCC[C@@H]1CCc1cccs1 1506397502 SDCMMODUBYFZGI-CYBMUJFWSA-N 301.477 2.580 0 50 DFAA Cc1cc(NC(=O)N2CCN(c3ccccc3F)[C@@H](C)C2)on1 252488771 IYQNVKFLPRAMQC-LBPRGKRZSA-N 318.352 2.865 0 50 DFAA CCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 73813 YRMMNFZTLRYVJP-UHFFFAOYSA-N 308.337 2.627 0 50 DFAA biogenic CN(C)C(=O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)c[nH]1 3069901 MTNMSMBFDBEJFT-UHFFFAOYSA-N 310.275 2.966 0 50 DFAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C/C=C/c2ccc(C#N)cc2)C1 328629228 HZUSOIKAWCSHKE-MULDZMIYSA-N 324.384 2.725 0 50 DFAA C[C@@](O)(CNC1CCN(c2ccccc2)CC1)c1ccco1 253419943 FKTRFMISTDPCOD-GOSISDBHSA-N 300.402 2.746 0 50 DFAA CC[C@]1(C(=O)O)CCCN(C(=O)NCc2ccccc2F)C1 219596203 ZDVXDUBJIMFMTF-INIZCTEOSA-N 308.353 2.612 0 50 DFAA Cc1cc2cc(NC(=O)C(=O)NCc3ccccc3)ccc2[nH]1 154364891 GLAISMJEXUJYEV-UHFFFAOYSA-N 307.353 2.731 0 50 DFAA CC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C1CC(O)C1 219747889 JEQPYFDTHOJKPO-YIZWMMSDSA-N 315.335 2.914 0 50 DFAA CCC[C@H](C)NC(=O)[C@H]1CCCN(CCc2ccccn2)C1 125342625 WWDWFIXNFOIAGE-HOTGVXAUSA-N 303.450 2.641 0 50 DFAA Cc1nc(NCCOc2ccc(F)cc2)cc(C2CC(O)C2)n1 219004477 OBNOTAMUPOIDKA-UHFFFAOYSA-N 317.364 2.653 0 50 DFAA COC[C@@H](NC(=O)N1CCOCC2(CCC2)C1)c1ccccc1 371892957 BVRSJBRUAUEQOJ-MRXNPFEDSA-N 318.417 2.586 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)CC1 72135557 PKYOIJLKWOHRMY-CYBMUJFWSA-N 310.825 2.531 0 50 DFAA NC(=S)c1ccc(C(=O)N2CC=C(c3ccccc3)C2)cc1 373940781 WZTKDYQTUISULQ-UHFFFAOYSA-N 308.406 2.860 0 50 DFAA CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCCCS1 337007184 AJAHAMIQFAZHQT-STQMWFEESA-N 314.495 2.575 0 50 DFAA CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ncc[nH]1 240668559 HNKNSVPDWJQQBA-MELADBBJSA-N 306.410 2.604 0 50 DFAA O=C(c1cc2c(s1)CCC2)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 242339220 ZGBGTYGDPXRPQX-KKUMJFAQSA-N 316.470 2.793 0 50 DFAA COC(=O)[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C1CC1 245733017 FKRMSMVGSCTNDV-ZKYQVNSYSA-N 310.296 2.563 0 50 DFAA CC(C)c1csc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)O)C2)n1 263497048 RHQDVRNIAPWFGV-ZUZCIYMTSA-N 323.418 2.985 0 50 DFAA O=C(NCc1ccc(N2CCCCC2)nc1)C1(CCF)CC1 289524205 NZELUJSLLZVEAZ-UHFFFAOYSA-N 305.397 2.828 0 50 DFAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1c[nH]nc1C(C)(C)C 293686143 XFTSVSQJUPKZDT-VIFPVBQESA-N 304.394 2.846 0 50 DFAA CC(C)=CC[C@]1(C(=O)O)CCCN(Cc2cc(O)nc(C)n2)C1 92045433 UJBIHBFRIJHWQQ-QGZVFWFLSA-N 319.405 2.514 0 50 DFAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)COc2cccnc2)C1 244673612 HSLVBRGKAPKVOH-MRXNPFEDSA-N 324.380 2.582 0 50 DFAA COc1cccc2c1CCN([C@H](C)C(=O)NC1CCCC1)C2 182700154 TUGWOYVYEJQBLV-CYBMUJFWSA-N 302.418 2.501 0 50 DFAA Cn1ccnc1[C@H](NC(=O)c1cccc2c1NCCC2)C1CC1 534646631 VIUMVFSDBYPOIK-MRXNPFEDSA-N 310.401 2.659 0 50 DFAA CCc1ocnc1C(=O)N1CCC2(CC1)CNc1ccccc12 299762860 CJNLLLWHLZULBK-UHFFFAOYSA-N 311.385 2.837 0 50 DFAA Cc1cnccc1N1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 670440467 XWJDTUIHDDQECM-LJQANCHMSA-N 322.456 2.791 0 50 DFAA Cc1cc(SCCCn2cncn2)nc(-c2ccccn2)n1 1875288063 MEKCFFNMMXFKCY-UHFFFAOYSA-N 312.402 2.621 0 50 DFAA Cc1ccc(C(=O)N2CC(n3cc(C(C)(C)C)nn3)C2)c(C)c1 1875323400 HDBTZJRSRAHJSW-UHFFFAOYSA-N 312.417 2.890 0 50 DFAA O=C(N[C@@H]1CC[C@@H]2C[C@@]21C(=O)O)c1cccc(-c2ccncc2)c1 1875311098 MQULQXNEOFJQMI-GPMSIDNRSA-N 322.364 2.732 0 50 DFAA COC(=O)c1cc(OCCCOc2ccc(Cl)cc2)cnn1 1875306745 NTXVJIUSKZHMTP-UHFFFAOYSA-N 322.748 2.765 0 50 DFAA COc1ccc(OC)c2c1CN(Cc1ccc(C)o1)C[C@H]2O 271054013 YIIIZIZUTQZOGJ-CQSZACIVSA-N 303.358 2.654 0 50 DFAA Cc1cc(N)n(CC(=O)N(Cc2ccc(F)cc2)CC(C)C)n1 952979936 DMSRQCVHUXWRJE-UHFFFAOYSA-N 318.396 2.598 0 50 DFAA Cc1csc(S(=O)(=O)N(C)CC[C@@H]2CCCCO2)c1 952988158 BLEJBVLNOMOJGQ-LBPRGKRZSA-N 303.449 2.636 0 50 DFAA CC(C)(c1ccccc1)c1nc(-c2cn(CCN)nn2)cs1 887499707 AJEWBSNOBLIJJC-UHFFFAOYSA-N 313.430 2.686 0 50 DFAA CO[C@]1(C)CCCN(c2cc(Cl)c3c(C)nn(C)c3n2)C1 893594376 QZMLDJPTBMTUPE-OAHLLOKOSA-N 308.813 2.935 0 50 DFAA COc1ccc(CN2CCc3cc(C(=O)O)sc3C2)c(C)n1 1777362551 PTISTLDVFSPSHF-UHFFFAOYSA-N 318.398 2.717 0 50 DFAA Cn1nccc1[C@@H]1OCC[C@H]1CN[C@@H]1CCc2ccccc2C1 275351868 AAYPAYCANHINDI-YQVWRLOYSA-N 311.429 2.645 0 50 DFAA CCOc1ncccc1C(=O)Nc1cnn([C@H](C)C2CC2)c1 186449253 PZFHOEFRPCSPTA-LLVKDONJSA-N 300.362 2.900 0 50 DFAA COc1cc(F)c(C(=O)Nc2ccc(N)cc2C)cc1OC 170677176 KGCQHBFSAHOMKF-UHFFFAOYSA-N 304.321 2.986 0 50 DFAA COCCOc1ccccc1C(=O)N1CCO[C@@H](C(C)(C)C)C1 279242592 HGOFHTFRPCURJK-MRXNPFEDSA-N 321.417 2.599 0 50 DFAA COc1ccc(C2(NCc3nnc(C)s3)CCOCC2)cc1 678625291 RWNYWEKEJYERJI-UHFFFAOYSA-N 319.430 2.651 0 50 DFAA CCc1ccccc1S(=O)(=O)N[C@@H](C1CC1)C(F)(F)F 585083833 ZBTNECBAEVRAHB-LBPRGKRZSA-N 307.337 2.868 0 50 DFAA C[C@H](NC(=O)[C@H]1CCC(=O)N1C)c1cc2ccccc2s1 189603691 BFVRZRRLVUIEOA-CMPLNLGQSA-N 302.399 2.699 0 50 DFAA Cc1nc(C)n(C[C@H]2CCCN(C(=O)C[C@@H]3C=CCCC3)C2)n1 189639915 OMEINMROHIZUTE-SJORKVTESA-N 316.449 2.880 0 50 DFAA O=C(O)c1coc(CN2CCOC[C@H]2c2cccc(F)c2)c1 656765707 NUZSESLGUOSSAP-HNNXBMFYSA-N 305.305 2.690 0 50 DFAA COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)O2)cc1 576023 CRDGFKDTGDJGSQ-XNTDXEJSSA-N 323.304 2.738 0 50 DFAA O=C(CCCc1ccccc1)N[C@H]1COC[C@H]1Cc1ccncc1 1529167909 SOIROUZCSKXXLI-MOPGFXCFSA-N 324.424 2.778 0 50 DFAA C[C@@H](Oc1ccc([S@@](C)(=N)=O)cc1)C(=O)N1CCCCCC1 1615588879 UIKABWFYDFAHQG-DMZKTXOQSA-N 324.446 2.892 0 50 DFAA CCc1cc(-c2cc(C)c(O)cc2F)nc(N2CCOCC2)n1 1772709275 DZFUGOTWNFWRRO-UHFFFAOYSA-N 317.364 2.696 0 50 DFAA CCCOc1cc(C)c(C)cc1S(=O)(=O)n1ccnc1C 16648987 UWNOQBREMFQKFX-UHFFFAOYSA-N 308.403 2.834 0 50 DFAA COc1ccc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)c(C)c1C 1857678863 BPWBHYIXZOHXEX-CQSZACIVSA-N 313.401 2.654 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1ccc2c(c1)OCCO2 1857680983 UDLNCPZEARSWTO-QGTPRVQTSA-N 303.402 2.583 0 50 DFAA Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 394161 NQFSNUDQTQPXEH-UHFFFAOYSA-N 312.188 2.864 0 50 DFAA in-vitro Cc1nc2cc(-c3nccc(N4CC[C@H](O)C4)n3)ccc2s1 1875247748 QOACHNSXKACIJN-LBPRGKRZSA-N 312.398 2.633 0 50 DFAA O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)c1ccoc1 225723682 QALJKWAUDMZLIR-MRXNPFEDSA-N 308.337 2.613 0 50 DFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2[nH]ncc2C1 124488960 UPHUDDZARIJNJP-NSHDSACASA-N 319.792 2.724 0 50 DFAA O=C(CN1CCOc2ccccc21)N[C@@H]1CCOc2ccccc21 642188998 WIYOZMIODSYMLL-OAHLLOKOSA-N 324.380 2.525 0 50 DFAA Cc1n[nH]cc1NS(=O)(=O)Cc1ccccc1C(F)(F)F 127149820 ONLNKMSVORNWIR-UHFFFAOYSA-N 319.308 2.679 0 50 DFAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)[C@H]1COc2ccccc21 237614514 IEOOFQBQHGADRM-XHDPSFHLSA-N 311.337 2.679 0 50 DFAA NC[C@H]1CCCCN1C(=O)c1ccc(F)c(COCC2CC2)c1 237960004 BROZYMVBYICILR-MRXNPFEDSA-N 320.408 2.706 0 50 DFAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ncc(C2CC2)o1 345787811 MGOFJOCORTYHPZ-RRFJBIMHSA-N 306.406 2.568 0 50 DFAA CC(C)c1nc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cs1 253423103 KUSSVSQOLCARRW-QWHCGFSZSA-N 307.463 2.965 0 50 DFAA COc1cc(C)sc1C(=O)N[C@@H](C)[C@H](O)c1ccc(O)cc1 253476830 BOYBQXAIBIOUFD-HZMBPMFUSA-N 321.398 2.623 0 50 DFAA O=C(O)[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1C1CC1 261966268 AYVNRTWVLDEXKW-OLZOCXBDSA-N 319.426 2.810 0 50 DFAA CC(C)c1nccnc1NC(=O)c1cccc(N2CCCC2=O)c1 906437933 OEQHUAHVUMYQPS-UHFFFAOYSA-N 324.384 2.979 0 50 DFAA O=C(O)c1ccc(C(=O)NC2(C(F)F)CCCC2)c(F)c1 911745377 OQUSVYBKJCAPDR-UHFFFAOYSA-N 301.264 2.832 0 50 DFAA Cn1nc2c(c1NC(=O)COc1ccc(F)c(F)c1)CCCC2 828190813 RMDIBAOLUZXUFR-UHFFFAOYSA-N 321.327 2.595 0 50 DFAA Cc1ccc(OCCn2c(CNC=O)nc3ccccc32)cc1 4810394 QHAJCLYMXRFQQF-UHFFFAOYSA-N 309.369 2.670 0 50 DFAA CN(Cc1cnn(-c2ccccc2)n1)Cc1cnc(C(C)(C)C)[nH]1 2325810840 IGOQBTKMRKETOJ-UHFFFAOYSA-N 324.432 2.920 0 50 DFAA Cn1ccnc1CCC(=O)Nc1ccc2[nH]nc(Cl)c2c1 2325858867 DOVVESQAMIEYKA-UHFFFAOYSA-N 303.753 2.521 0 50 DFAA CC(C)(NC(=O)c1cc2ncccc2[nH]1)c1ccc(C(=O)O)cc1 2325877729 YVYZEMRFCXWQCT-UHFFFAOYSA-N 323.352 2.926 0 50 DFAA FC(F)(F)c1cc(-c2ccccc2)nc(N2CCOCC2)n1 467433 GCCXGRJKBSVDIZ-UHFFFAOYSA-N 309.291 2.999 0 50 DFAA COc1cc(OC)c(C(=O)N[C@H](C)c2ccncc2)cc1OC 1459075 JFQIMZFNMZMFQH-LLVKDONJSA-N 316.357 2.598 0 50 DFAA CC(C)(O)C(Br)(Br)Br 1481959 JUGRTVJQTFZHOM-UHFFFAOYSA-N 310.811 2.596 0 50 DFAA CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(=O)CC)c12 2940860 MOZJFNAVCPJSBO-UHFFFAOYSA-N 319.357 2.993 0 50 DFAA aggregator COc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](C)CC3=O)c1 4295379 KIFAXQBBSLGERQ-JTQLQIEISA-N 311.341 2.503 0 50 DFAA C=CC(=O)NCc1ccc(-c2nc(-c3ccncc3)no2)cc1 113740946 KXITXSMBPAUXHU-UHFFFAOYSA-N 306.325 2.601 0 50 DFAA CCOC(=O)[C@H](C)NC(=O)CSCc1ccccc1Cl 55073384 FTTOJHQLJKPHMU-JTQLQIEISA-N 315.822 2.641 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)NCCCc2c(C)n[nH]c2C)cc1 67803768 ANNUBOBEQILICG-HNNXBMFYSA-N 314.433 2.884 0 50 DFAA Cn1cc(C(C)(C)C(=O)N2CCC[C@@H](CC(F)(F)F)C2)cn1 421974890 WTHOIARGQDDXHX-NSHDSACASA-N 317.355 2.889 0 50 DFAA Cc1ccc(CN2CCSCC2)cc1NCc1ncc[nH]1 125416958 DDFAFQSVAGYTSU-UHFFFAOYSA-N 302.447 2.879 0 50 DFAA Cc1cccc(Cn2nc(C)c3nc(-c4cncn4C)[nH]c32)c1 20600306 QSDOZJKVSRJOCW-UHFFFAOYSA-N 306.373 2.825 0 50 DFAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[C@@H](N2CCCC2)C1 229889443 BHIIXFCZWKZZDX-BRWVUGGUSA-N 302.393 2.626 0 50 DFAA Cc1ccc(Cl)c(C(=O)N[C@H]2CCCN(C(=O)C3CC3)C2)c1 67817088 GFZAJVPKUNTLJK-ZDUSSCGKSA-N 320.820 2.779 0 50 DFAA CN(C[C@@H]1CC=CCC1)C1CCN(CCn2cccn2)CC1 121196188 CUZKTHKAJPVSBU-QGZVFWFLSA-N 302.466 2.636 0 50 DFAA O=C(O)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1 324080391 LECMXUHXZCSBFA-KRWDZBQOSA-N 309.365 2.806 0 50 DFAA Cn1c(Cl)cnc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 282008004 XUTUGJUKOQDMNI-STQMWFEESA-N 309.772 2.521 0 50 DFAA COC1CCC(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 328634956 MZPFMWXUJBLZFO-BFWZDYSYSA-N 303.450 2.622 0 50 DFAA O=C(Nc1ccc(Cl)c(Cl)c1)c1nc2ncccn2n1 2808415 HFGSVABMXAKZOA-UHFFFAOYSA-N 308.128 2.683 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2OC)CC1 253427442 MKTSIDAXFOPBCS-PMPSAXMXSA-N 312.454 2.935 0 50 DFAA COc1ccccc1CCC(=O)N[C@@H]1COC2(CCCC2)C1 219318275 KRDLIIGKLBFMRC-HNNXBMFYSA-N 303.402 2.846 0 50 DFAA COc1ccc(F)c(F)c1C(=O)N[C@H](C)c1nc(C2CC2)no1 219471801 SNHDYPWQPDFZKP-SSDOTTSWSA-N 323.299 2.725 0 50 DFAA CNC[C@@H]1CCCN(C(=O)/C=C(/C)Cc2ccccc2OC)C1 237192849 MOUIJBUOFKOWGQ-IRVMHKCDSA-N 316.445 2.642 0 50 DFAA O=C(N1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1(c2cccnc2)CCCC1 333902118 BVEPBRMHEJVTHO-YQQAZPJKSA-N 314.429 2.513 0 50 DFAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 237975769 JMUNSHIEEYYMQQ-RRFJBIMHSA-N 316.401 2.596 0 50 DFAA O=C(c1ccccc1)N1CCCN(CCc2cscn2)CC1 450237853 QTJLBOUMKNEAEP-UHFFFAOYSA-N 315.442 2.534 0 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180062539 YLINNBCRIFHUKX-LLVKDONJSA-N 323.462 2.716 0 50 DFAA Nc1nc(CCNC(=O)c2ccc3sccc3c2)cs1 91426097 BMUNNIWAOBAMOL-UHFFFAOYSA-N 303.412 2.913 0 50 DFAA O=C(NCc1coc(-c2ccccc2)n1)c1cn2ccsc2n1 91985990 OCSIJVGJBLJESQ-UHFFFAOYSA-N 324.365 2.981 0 50 DFAA O=C(CCN1C[C@@H]2CCC[C@H](C2)C1)NCc1ccccc1F 244795002 QXUZCVKKIDJULH-HUUCEWRRSA-N 304.409 2.954 0 50 DFAA O=C(CC(F)(F)F)N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244884004 YDIJKSXAGLRHTG-SUZMYJTESA-N 305.271 2.706 0 50 DFAA COc1cc(F)c([C@@H](C)N[C@H](C)c2nccn2C)cc1OC 182967904 FJTYFEFLQPQHHP-GHMZBOCLSA-N 307.369 2.988 0 50 DFAA COCc1noc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)n1 183066139 MYGMLHWDHNQVJC-SNVBAGLBSA-N 316.361 2.664 0 50 DFAA Cc1cccc(SC2CCN(C(=O)[C@H]3C=CCN3)CC2)c1 534637893 ZVCVOYPNRYHHDT-MRXNPFEDSA-N 302.443 2.606 0 50 DFAA CN1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2NC1=O 534655550 LLWULAVASNNQEB-UHFFFAOYSA-N 316.382 2.734 0 50 DFAA CCO[C@@H](CC)CNC(=O)N1CCCN(c2ccccc2)CC1 584893046 JOHPNFLOKWSZLY-KRWDZBQOSA-N 319.449 2.723 0 50 DFAA 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KBCLZZNRPFCILG-INIZCTEOSA-N 311.385 2.849 0 50 DFAA C[C@@H](c1ccccn1)N(C)CCC(=O)NCc1ccccc1F 244817030 STENJXMROOLQBH-AWEZNQCLSA-N 315.392 2.920 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 248124940 LKCRJJVGYFDJEI-ZWKOTPCHSA-N 309.413 2.934 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1OC 249689191 JEMLRNRUGMGFQF-CHWSQXEVSA-N 308.447 2.846 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(Oc2cnccn2)cc1 252533015 FSKAKVMDOXPNEM-UHFFFAOYSA-N 323.356 2.790 0 50 DFAA Cn1cc(N2CCC[C@H](NC(=O)c3coc4ccccc34)C2)cn1 253420427 WZMHICALBTUVTK-ZDUSSCGKSA-N 324.384 2.565 0 50 DFAA CC(C)c1ncc(C(=O)NC[C@H](C(=O)O)c2ccccc2)s1 262833204 YCZGNUJBMZLJKL-LBPRGKRZSA-N 318.398 2.865 0 50 DFAA Cc1noc(C(C)(C)NC(=O)[C@@H](C)c2c(F)cccc2F)n1 284828835 JCIQBVUGSXRAHW-QMMMGPOBSA-N 309.316 2.811 0 50 DFAA Cc1ccc(CCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 289771237 GMLPRYIFEZEOND-DOTOQJQBSA-N 301.411 2.764 0 50 DFAA COc1cc2nc(N3CCC[C@@](C)(F)C3)nc(N)c2cc1OC 294952470 MONWAGOWZKYFFE-MRXNPFEDSA-N 320.368 2.558 0 50 DFAA O=C(NC[C@@H]1CCCO1)Nc1snnc1-c1ccccc1 299761765 ZOMCLFSRQSIBEO-NSHDSACASA-N 304.375 2.506 0 50 DFAA CCOc1ccc(NC(=O)NC2(C(=O)NC)CCCCC2)cc1 299787599 NXEDGKPXWUZUBM-UHFFFAOYSA-N 319.405 2.656 0 50 DFAA CCc1nccn1CCCNC(=O)Nc1c(C)cc(C)nc1C 299793428 HBGCWFNTNNPYRG-UHFFFAOYSA-N 315.421 2.978 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@H]1C1CC1 328616191 BLHOQOHEUHCJIU-FJIDUMEYSA-N 313.445 2.579 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NC/C=C/c2ccco2)cn1 328647679 UEMIGKWZLILWEQ-LDHYMBSASA-N 314.389 2.959 0 50 DFAA O=C([C@@H]1COc2ccccc2C1)N1CCC[C@@H]1c1cccnc1 340571481 KOXWKNBLDXOYIG-DLBZAZTESA-N 308.381 2.996 0 50 DFAA CC(C)n1ccc(C(=O)N2CCC3(CCC(O)CC3)CC2)n1 408519923 SDSNYQMWQSSDQT-UHFFFAOYSA-N 305.422 2.621 0 50 DFAA C=CC(=O)Nc1ccc(C(=O)OCCC2CCOCC2)cc1 490733639 OOXXJUZQTSUAHD-UHFFFAOYSA-N 303.358 2.785 0 50 DFAA CN1CC[C@H](CN(C)C(=O)c2c[nH]c3cc(Cl)ccc23)C1 591262971 MOVOYIFNDIGJND-NSHDSACASA-N 305.809 2.845 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)c(F)c1 630276168 ATDWKDUKMJEANF-XUJVJEKNSA-N 321.348 2.550 0 50 DFAA COc1ccc2nc(CN3CCC(c4ccco4)CC3)[nH]c2n1 661161728 WXXIOFFFDDOSNI-UHFFFAOYSA-N 312.373 2.939 0 50 DFAA O=C([C@@H]1C[C@]12CCOc1ccccc12)N1CC[C@H](OC(F)F)C1 670157301 MYFJLDNZZXUFFF-BNLOLNQZSA-N 323.339 2.567 0 50 DFAA CN(CCn1c(=O)oc2ccccc21)C[C@@H]1Cc2ccccc2O1 670461664 WHJBINYYWXCASR-HNNXBMFYSA-N 324.380 2.530 0 50 DFAA Cc1ccc(O)cc1C(=O)N1Cc2ncccc2N2CCC[C@H]2C1 890627273 YDHWWVCUMMQDLB-AWEZNQCLSA-N 323.396 2.720 0 50 DFAA COc1cnc(NC(=O)NCc2nc3c(s2)CCCC3)s1 931283952 IQOIRCGJHMFYFT-UHFFFAOYSA-N 324.431 2.809 0 50 DFAA CC(C)Oc1c[nH]ccc1=NC(=O)NC1([C@@H]2CCCCO2)CC1 934647518 ZXMFGHVNANPLIL-HNNXBMFYSA-N 319.405 2.514 0 50 DFAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2cncc(F)c2)c1 952962347 ARYYCHDJUMDZRU-NSHDSACASA-N 313.332 2.988 0 50 DFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)Cc3cccs3)C[C@H]2C1 1529111513 ZUCDCIWYSOWGDR-NMWPEEMBSA-N 306.475 2.868 0 50 DFAA CC(C)n1cnnc1CN1CCCN(Cc2cccs2)CC1 1529195313 ITIFNRWVABXFFU-UHFFFAOYSA-N 319.478 2.628 0 50 DFAA Cc1cn(C2CCCCC2)nc1NC(=O)N[C@H]1C[C@@H](C(=O)O)C1 1607901141 LJRGIZVGKHVYSE-TXEJJXNPSA-N 320.393 2.681 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1C 1616074115 SWIAEJRQMDXFES-HKUYNNGSSA-N 324.424 2.994 0 50 DFAA c1ncc(CC2CCN(CCc3ccc4c(c3)CCO4)CC2)[nH]1 1875281636 MODMHPDAAOBECB-UHFFFAOYSA-N 311.429 2.842 0 50 DFAA Cc1nnsc1[C@H](C)NCCc1nc2cc(F)ccc2n1C 1875285769 YOGSWEFHGPGVNZ-VIFPVBQESA-N 319.409 2.766 0 50 DFAA Cc1c(F)cccc1C1(C(=O)N[C@@H]2CCN3CCC[C@H]3C2)CC1 2325779588 QVAZGODADSXAJZ-CABCVRRESA-N 316.420 2.909 0 50 DFAA C[C@@H](N=c1nc(Cc2ccc(F)cc2)[nH]o1)c1ccns1 2325839753 DHMAPXUEVQDSKJ-SECBINFHSA-N 304.350 2.851 0 50 DFAA c1ccc2c(c1)CC1(CO2)CN(Cc2ccc3c(c2)OCCO3)C1 2356148529 DPWQPQCQODUUAE-UHFFFAOYSA-N 323.392 2.895 0 50 DFAA COc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 527270 ZYKGEGZDRIBZQX-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccncc1 4371747 RVLIKURHLBSPTQ-UHFFFAOYSA-N 312.778 2.935 0 50 DFAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccnc1C 4809673 DRMDIOZKBBORTI-UHFFFAOYSA-N 308.403 2.735 0 50 DFAA O=C(c1cccc(F)c1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 101751666 KGOWKMTYMXZBNS-GRDNDAEWSA-N 302.393 2.772 0 50 DFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(C)[nH]n1 55183086 KXNZRKUDAQTGNI-UHFFFAOYSA-N 311.389 2.608 0 50 DFAA COc1ccc(OC)c(-n2c(C3CCCCC3)n[nH]c2=O)c1 65465016 FYVJAHUQZONFFI-UHFFFAOYSA-N 303.362 2.626 0 50 DFAA CNc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3c[nH]nc32)c1 331866247 SMVNHZFLQTVWNV-CYBMUJFWSA-N 304.781 2.912 0 50 DFAA CC(C)NC1(CO)CCN(Cc2c(F)cccc2Cl)CC1 328597427 HBVGTHDSYOEJQF-UHFFFAOYSA-N 314.832 2.804 0 50 DFAA O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1 1398121 RVEKYSOEPDYESP-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA Cc1ccc(CNC(=O)C2CCN(Cc3cccnc3)CC2)cc1 4676763 JNDHFFDMEKYGRF-UHFFFAOYSA-N 323.440 2.918 0 50 DFAA CCOC(=O)Cc1ccc(I)c(F)c1 71864376 MVSKFYHLLRBZLT-UHFFFAOYSA-N 308.090 2.536 0 50 DFAA O=C(Cc1cncnc1)Nc1cccc(OCc2ccccn2)c1 253404310 JPVAEOJNEXESMW-UHFFFAOYSA-N 320.352 2.632 0 50 DFAA CCc1cnccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253623492 XBBQYBVJWMSNAJ-GVDBMIGSSA-N 302.418 2.800 0 50 DFAA O=C(c1ccc2nc(S)oc2c1)N1CCOCC12CCC2 152098176 LFNCBDGTVJRKFP-UHFFFAOYSA-N 304.371 2.512 0 50 DFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)n1 257365714 HWPYBEKGYJNXAD-SQNIBIBYSA-N 324.428 2.862 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccn1 333269607 VVRUZSPDBSMTJB-BZUAXINKSA-N 315.417 2.537 0 50 DFAA Cc1ccccc1[C@@H]1CN(c2ncnc3n[nH]cc23)[C@@H](C)CO1 487639376 HAWSSJPAEPSEIK-WFASDCNBSA-N 309.373 2.628 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCOC[C@H](C2CCC2)C1 366545832 RFXXXFZNJTZUOB-CYBMUJFWSA-N 311.857 2.884 0 50 DFAA C[C@H]1CCC[C@H](OCC(=O)NCc2ccc(C(=O)O)cc2)C1 237543792 PCJCWBZLKVONGZ-WFASDCNBSA-N 305.374 2.596 0 50 DFAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1csc(-c2ccccc2)n1 237971439 WUSPXOVOZXWRPO-PBWFPOADSA-N 313.426 2.823 0 50 DFAA COC(=O)c1coc(CN(C)[C@H](C)c2nc(C)sc2C)n1 77456364 MEBBFFSHYRCZPN-MRVPVSSYSA-N 309.391 2.728 0 50 DFAA Cn1ncc2c(N)nc(N3CCC[C@@H]3/C=C/c3ccccc3)nc21 373049679 PUBOLTSCIAPAMF-ATWMFIQVSA-N 320.400 2.628 0 50 DFAA CC(C)[C@@H]1CN(CCOc2cccc(C(=O)O)c2)CCCO1 378874024 VTLXGDFKLGSDEV-INIZCTEOSA-N 307.390 2.511 0 50 DFAA C[C@H](C(=O)O)N(C(=O)c1cccc(C(F)(F)F)c1)C1CC1 262666099 VWCDPMADBOYMAV-MRVPVSSYSA-N 301.264 2.783 0 50 DFAA O=C(c1cccc([C@H]2CCOC2)c1)N1CC(O)(c2ccccc2)C1 377091158 UDWWALWOHJQHSN-KRWDZBQOSA-N 323.392 2.534 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H]1c1ccccc1 174000777 WOMQUXNVSVKJSH-CXAGYDPISA-N 323.396 2.688 0 50 DFAA CN(Cc1ccccc1Cl)c1cc(C2CC(N)C2)nc(N)n1 222302799 BJCAOCHIMIHKOY-UHFFFAOYSA-N 317.824 2.553 0 50 DFAA CN(CC(=O)O)[C@H]1CCCN(C/C=C/c2ccc(F)cc2)CC1 263536783 ZRPMFEFHIKZMOS-WVMJFEGXSA-N 320.408 2.710 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC(n3ccnc3)CC2)n1 179051666 YTLUVXZKMIOXKM-UHFFFAOYSA-N 314.389 2.543 0 50 DFAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 426581074 ZICUDJGWYUDKJU-NSHDSACASA-N 317.776 2.798 0 50 DFAA COc1cc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)ccc1C 290822441 WHBMKJYZAGDNGE-CQSZACIVSA-N 319.792 2.941 0 50 DFAA CC(=O)c1ccc(C(=O)NCCc2nc3c(s2)CCC3)s1 223205384 CBWMKPKRDCOIBT-UHFFFAOYSA-N 320.439 2.868 0 50 DFAA Cc1ccccc1C1(NC(=O)c2ccccc2-n2cnnc2)CC1 426382620 HQMOHCHLJHIPQI-UHFFFAOYSA-N 318.380 2.995 0 50 DFAA Cc1ccc([C@@H](C(=O)N2CC(c3ccccn3)C2)N(C)C)cc1 95384870 CGGDNEMNRROISR-SFHVURJKSA-N 309.413 2.619 0 50 DFAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCC[C@H](N)C1 237162200 BHTRAIWDDROFTJ-RDJZCZTQSA-N 315.461 2.763 0 50 DFAA Cc1nc(NCc2ccc(OCc3ccncc3)cc2)n(C)n1 162450677 VANRFCDSMHEJNX-UHFFFAOYSA-N 309.373 2.710 0 50 DFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1nc2ccccc2[nH]1 426602434 JODLHAWPNWEJLN-AWEZNQCLSA-N 311.389 2.604 0 50 DFAA CCc1[nH]nc(C(=O)N[C@H](CCN(C)C)c2ccccc2)c1C 97674259 VLWOHBLPFBZOLY-MRXNPFEDSA-N 314.433 2.703 0 50 DFAA COc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 239174639 QIUBJVNTKYKXKC-NILFDRSVSA-N 305.374 2.763 0 50 DFAA Cn1ccnc1C1CCN(Cc2nnc(-c3ccccc3)o2)CC1 91644738 RKKSLXGPIQVOIB-UHFFFAOYSA-N 323.400 2.850 0 50 DFAA CCN1CC2(CCC1=O)CCN(c1ncncc1C(C)C)CC2 91848843 ZQWYMRWZYFEIHZ-UHFFFAOYSA-N 316.449 2.829 0 50 DFAA Cc1cc(C)c(C(=O)N(Cc2cccc(O)c2)C2CC2)c(=O)[nH]1 91677331 RWNDIEJXNCLUAX-UHFFFAOYSA-N 312.369 2.502 0 50 DFAA O=C(CC1CCCC1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91985617 NNUZLZPURPUICT-LJQANCHMSA-N 318.461 2.818 0 50 DFAA CCC[C@H]1C=CCN1CC(=O)Nc1ccccc1NC(C)=O 244678671 IHXLIKZJUCUTIJ-AWEZNQCLSA-N 301.390 2.624 0 50 DFAA CCCNC(=O)c1cccc(CN[C@H](C)Cc2ccccn2)c1 863982594 UWMNHKFYDNZZNC-OAHLLOKOSA-N 311.429 2.942 0 50 DFAA Cc1ccc(C)n1CCC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 253409796 MLEIDFQSZJCXAF-ZWKOTPCHSA-N 317.477 2.876 0 50 DFAA biogenic COc1ccccc1CCC(=O)NC[C@@H](C)n1cc(C)cn1 534657420 MWYXEBWACHVNNA-CQSZACIVSA-N 301.390 2.510 0 50 DFAA N=c1cc[nH]c(-c2ccc(C(=O)N3CCCCCCC3)cc2)n1 534593091 DHACQDGKHFWWKQ-UHFFFAOYSA-N 310.401 2.962 0 50 DFAA Cc1nccn1-c1ccc(NC(=O)N2CCCC[C@@H]2CO)cc1 299799301 RBPDGOYTBPOELB-MRXNPFEDSA-N 314.389 2.559 0 50 DFAA CC[C@@H](NC(=O)CCn1nccc1C)c1nc(C)c(C)s1 299755504 DSWLBBDOWQHSLL-CYBMUJFWSA-N 306.435 2.922 0 50 DFAA COc1ccc2nc(CN[C@@H](C)Cn3nc(C)cc3C)[nH]c2c1 824757925 ZSDYEEARVRKMLK-LBPRGKRZSA-N 313.405 2.563 0 50 DFAA COCC1(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)CCC1 584890162 JJYHPTBGDNFFJT-UHFFFAOYSA-N 313.401 2.852 0 50 DFAA C=CC(=O)N(C)CC(=O)N[C@H](c1cc(C)sc1C)C(C)C 1875366236 XGPGEXFOBSPXPL-INIZCTEOSA-N 308.447 2.823 0 50 DFAA Cc1cc(SCc2cnsn2)nc(-c2ccccn2)n1 1875288073 MPIPZBJEIFKWBU-UHFFFAOYSA-N 301.400 2.991 0 50 DFAA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N[C@H]2c1ccccc1 72194264 DQYJJBNLPZSFIG-AWEZNQCLSA-N 316.401 2.875 0 50 DFAA in-vitro CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N3CCSCC3)c2C1 888090848 XMHLPTDOWAPCJB-NSHDSACASA-N 307.463 2.750 0 50 DFAA CCc1ncnc(NCc2nncn2C2CCCCC2)c1F 952968239 BQZRGOIXROUXCO-UHFFFAOYSA-N 304.373 2.887 0 50 DFAA O=C1CCN(C(=O)c2cc3ccccc3o2)c2cnccc2N1 1775962027 OKOYQAXHRGTADC-UHFFFAOYSA-N 307.309 2.817 0 50 DFAA C[C@@H](CCO)C1(CNC(=O)NC2Cc3ccccc3C2)CCC1 273967988 QPSUKQUWJRLQSE-AWEZNQCLSA-N 316.445 2.642 0 50 DFAA Cc1cc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)ccn1 275885093 LJZJTVRCIBLXIR-JKSUJKDBSA-N 312.373 2.827 0 50 DFAA CCO[C@H]1C[C@@H](N(C)CC(=O)N2CCC(C)CC2)C12CCCC2 170637251 WQFOKVOVJGKYKI-SJORKVTESA-N 322.493 2.915 0 50 DFAA COc1ccc(NC(=O)[C@H](C)Sc2ccccn2)cc1O 170619171 QPIZFKFGVBPCJW-JTQLQIEISA-N 304.371 2.915 0 50 DFAA CC(C)Cn1ncc2cc(C(=O)N3CC[C@H]3C(C)C)cnc21 678878715 SDHXAJUULUWDKH-HNNXBMFYSA-N 300.406 2.958 0 50 DFAA C[C@@H](CC(=O)N[C@H]1CCn2cncc21)Cc1cccc(F)c1 585122666 XCKQTEYWHGWJKQ-DOMZBBRYSA-N 301.365 2.852 0 50 DFAA C[C@H]1OCCC[C@H]1C(=O)Nc1ccnn1CCc1ccccc1 190857865 ZFXQZXZNYKTJFC-GDBMZVCRSA-N 313.401 2.879 0 50 DFAA Cc1cccc2nc(CN3[C@@H](C)[C@@H](C(=O)O)CC[C@H]3C)cn12 659798377 XYYFQEHFAPLPKQ-IPYPFGDCSA-N 301.390 2.716 0 50 DFAA CCc1ccc(CCN2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)cc1 661932321 RNHNZLNLVIDKHU-CXAGYDPISA-N 315.417 2.945 0 50 DFAA c1cc2c(s1)C1(CCN(C[C@H]3CCCNC3)CC1)OCC2 1704300064 YEUXUWLZKDCFNK-AWEZNQCLSA-N 306.475 2.612 0 50 DFAA COC(=O)c1ccc2c(c1)NC(=O)/C2=C(/OC)c1ccccc1 115967089 WUVZENIISJMEHI-FOCLMDBBSA-N 309.321 2.940 0 50 DFAA in-vitro O=C(NC[C@H](O)c1ccc(Cl)s1)c1ncoc1C1CC1 1615059429 AZQPWQINILHIDQ-QMMMGPOBSA-N 312.778 2.730 0 50 DFAA N[C@H]1CC12CCC(NC(=O)c1cc(F)c3ncccc3c1)CC2 1615545466 HULGSIGTQJRUDT-DBQDNQAGSA-N 313.376 2.764 0 50 DFAA CCc1cnc(N2CCCN(Cc3cccs3)CC2)nc1 1772701020 LUSLFGQFXRNYCA-UHFFFAOYSA-N 302.447 2.813 0 50 DFAA C[C@H](O)c1nc2cc(-n3ccnc3-c3cccnc3)ccc2n1C 1772812853 PZLFIFXACYTKIO-LBPRGKRZSA-N 319.368 2.874 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@H]2CN1C(=O)Cc1ccc2ccccc2c1 1772708830 GCPHGNLTVKRAIE-KDOFPFPSSA-N 322.408 2.604 0 50 DFAA Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)O)c1=O 5010749 JLZANJDGGAPGOF-UHFFFAOYSA-N 306.321 2.813 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 5987966 UUVXQOJRYRAKLO-UHFFFAOYSA-N 316.426 2.506 0 50 DFAA C[C@@H]1CCCN(C(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)C1 12097809 PJGUCNCLZXHRPW-WBMJQRKESA-N 304.365 2.772 0 50 DFAA CCc1nn2c(C)c(C(C)=O)nnc2c1-c1ccc(OC)cc1 13627116 WCOCRIHFZLGWLF-UHFFFAOYSA-N 310.357 2.873 0 50 DFAA Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccccc1F 13692024 DJICAYHRZYXATB-UHFFFAOYSA-N 310.332 2.991 0 50 DFAA O=C(N[C@@H]1CC(=O)N(C2CCCCCC2)C1)c1cccs1 15071272 AIOHHXLCMDXSOV-GFCCVEGCSA-N 306.431 2.802 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c(C)c1 15465425 WGQMLAMPWALGBL-GDBMZVCRSA-N 314.429 2.915 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1OC 16579376 AJDJRTLFGKJZBD-UHFFFAOYSA-N 321.398 2.954 0 50 DFAA COC(=O)c1cccc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)n1 1857532932 AGAQMORLJNBJGB-KBPBESRZSA-N 310.353 2.544 0 50 DFAA C[C@@H]1N(C(=O)/C=C/c2ccccc2)CCC[C@@]12CCCNC2=O 1875241927 HNRFLQDCWBTJAD-JJDZQTOISA-N 312.413 2.607 0 50 DFAA COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1O 6484607 FPIOBTBNRZPWJW-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA endogenous,in-man O=C(O)[C@H]1CCCN1Cc1csc(CCc2ccccc2)n1 238101797 WPYKSRFWSKPWAP-OAHLLOKOSA-N 316.426 2.977 0 50 DFAA Cc1noc(CCC(=O)Nc2cccc3c2OC(C)(C)C3)n1 241776814 RSWJNSICFUNNMZ-UHFFFAOYSA-N 301.346 2.663 0 50 DFAA C[C@H]1C[C@@H](Cn2nnnc2CCc2ccccc2)C[C@@H](C)O1 901488031 DWDFMQYZNQYJBJ-FOLVSLTJSA-N 300.406 2.662 0 50 DFAA C[C@H]1[C@@H](CC(F)(F)F)C[C@@H](C)N1C(=O)C1=C[S@](=O)CCC1 2325793821 ISFSWUKPOJEFDK-JJKJUMRGSA-N 323.380 2.991 0 50 DFAA Cn1c(O)nc2ccc(-c3cc(Cl)ccc3OCCO)cc21 2325821375 JVVOALQBTHPNBF-UHFFFAOYSA-N 318.760 2.970 0 50 DFAA COc1ccc([C@@H]2OC(=O)C(C)(C)C(=O)C2(C)C)cc1OC 193063 DJCAFCPOYYOQMP-ZDUSSCGKSA-N 306.358 2.923 0 50 DFAA O=C(O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 194860 RZQMFZBILLDSRX-CQSZACIVSA-N 311.337 2.703 0 50 DFAA CCOC(=O)N1CCC(NCCc2c[nH]c3ccccc23)CC1 221604 BFJNNAZMTFYHLF-UHFFFAOYSA-N 315.417 2.921 0 50 DFAA CCOc1ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1 283201 QSDRMRRGXAIGCQ-UHFFFAOYSA-N 302.355 2.672 0 50 DFAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccco2)NC(=O)N1 437569 SRQSVALRDGXEJE-HNNXBMFYSA-N 311.341 2.855 0 50 DFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 246502182 FQBSWYQFSUKGNR-HZSPNIEDSA-N 322.792 2.530 0 50 DFAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1CCN(c2ccc(F)cc2)C1 2356138165 GPYQVDOCENNYGI-XWTMOSNGSA-N 304.409 2.782 0 50 DFAA CCOc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1 6702190 JJQYAYUHEJQDGJ-UHFFFAOYSA-N 308.341 2.918 0 50 DFAA COc1ccc(NC(=O)c2cccc(-n3cnnc3)c2)c(OC)c1 6702314 VLCXNXDPZKLBOX-UHFFFAOYSA-N 324.340 2.537 0 50 DFAA O=C(c1ccc(N2CCOCC2)cc1)N1CCc2ccccc21 7504526 BSHKTWJPUOMTSZ-UHFFFAOYSA-N 308.381 2.726 0 50 DFAA CCCc1nc2[nH]c(C)c(Cc3ccc(Cl)cc3)c(=O)n2n1 100132632 IGYXNFOPOFZZJF-UHFFFAOYSA-N 316.792 2.923 0 50 DFAA CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 9879707 SVKJYYQWQCAXKI-UHFFFAOYSA-N 324.789 2.500 0 50 DFAA COCCN(Cc1cccs1)C(=O)c1cc2ccccn2n1 55359310 ONWAIACTOOLFGU-UHFFFAOYSA-N 315.398 2.685 0 50 DFAA Cc1ccc(C)c2c(O)cc(CN3C[C@@H]4CC[C@H](C3)[C@@H]4O)nc12 102557164 UDBABESHJJCADV-BDQBCWGISA-N 312.413 2.760 0 50 DFAA COCc1noc(-c2nn(-c3cccc(F)c3)c3c2CCC3)n1 351301227 SCZKXNXUPVQYBG-UHFFFAOYSA-N 314.320 2.697 0 50 DFAA Cc1cc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)ccn1 120324343 LSXRJLAOVNMTAF-OAHLLOKOSA-N 302.422 2.730 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1)N1CCCN(C2CCCC2)CC1 172582337 KGAPYLZDEKWFPP-INIZCTEOSA-N 315.461 2.964 0 50 DFAA COCC(=O)Nc1cccc(-n2ccc(-c3cccnc3)n2)c1 65528586 CJNKZILQZXNZCG-UHFFFAOYSA-N 308.341 2.519 0 50 DFAA C[C@@H]1CCO[C@@H]1C(=O)Nc1cc(F)c(OC(F)F)cc1F 252486126 HHOGQKXGZMBAQO-KBUNVGBDSA-N 307.243 2.930 0 50 DFAA Cc1nnc(SCCC(=O)Nc2ccc3c(c2)OCO3)s1 65365810 LVQTWLLTEORLBC-UHFFFAOYSA-N 323.399 2.696 0 50 DFAA CCc1cc(C)c(C(=O)N[C@H]2CCO[C@@H]2c2cnn(CC)c2)o1 328620890 HIYXPHZFLRNPEP-GOEBONIOSA-N 317.389 2.627 0 50 DFAA C[C@H](CCc1ccco1)NC[C@@H]1CCO[C@H]1c1ccnn1C 328622297 BBRQFJFOZXKDSV-JKIFEVAISA-N 303.406 2.702 0 50 DFAA O=C(CC[C@@H]1CCCN(Cc2cccc(O)c2)C1)NC1CC1 12072753 MPOVXTFQXHMMGJ-AWEZNQCLSA-N 302.418 2.663 0 50 DFAA C[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCO1 149236430 QUGNLHBZHJFUCS-JQWIXIFHSA-N 318.402 2.894 0 50 DFAA Cc1cc(=O)oc2cc(NC(=S)N3CCSCC3)ccc12 6399679 GUMTUYQNRXCWCG-UHFFFAOYSA-N 320.439 2.847 0 50 DFAA CCOc1ccccc1CCC(=O)N1CCC[C@H](C)[C@@H]1CN 236906581 XQWMCDHKJYBNBB-HOCLYGCPSA-N 304.434 2.604 0 50 DFAA CC(C)c1nccc(CN(C)Cc2nc(-c3cccnc3)no2)n1 72128072 LFJSFHLAJSADJE-UHFFFAOYSA-N 324.388 2.677 0 50 DFAA O=C(Cc1ccccc1C(F)(F)F)N1CCO[C@H](C2CC2)C1 219782999 IRAMICKTNJDSHN-AWEZNQCLSA-N 313.319 2.885 0 50 DFAA C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cc1ccco1 363781101 HWHAXMDQLNEADP-INIZCTEOSA-N 312.413 2.945 0 50 DFAA Cc1ccnc(NC[C@H]2CCN(Cc3cnc4[nH]ccnc3-4)C2)c1 365616982 MFYKKEOFFUFNDF-CQSZACIVSA-N 322.416 2.547 0 50 DFAA C[C@H](c1nnnn1C)N1CCC(c2cccc3cnccc23)CC1 366865115 APIAWZLWEAEJII-CYBMUJFWSA-N 322.416 2.699 0 50 DFAA CCOc1c(Cl)cccc1NC(=O)C[C@@H]1CCCC(=O)N1 367465632 MBYANDBVJVJFBA-JTQLQIEISA-N 310.781 2.736 0 50 DFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1C[C@H]2C3CCC(CC3)[C@H]2C1 71721605 JHQBNPYYMIPGQA-HWACXVBKSA-N 313.323 2.937 0 50 DFAA CC(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)=O)cc1C 157230270 PZJFHKRTBWWSME-KRWDZBQOSA-N 318.417 2.871 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)[nH]n1 71315638 ROLULSBTHSHNMG-NSHDSACASA-N 310.401 2.798 0 50 DFAA O=C(O)[C@H]1CC12CCN(C(=O)C1CCC(F)(F)CC1)CC2 263250066 JGWMLEIZNWBECO-LLVKDONJSA-N 301.333 2.525 0 50 DFAA COc1ccc([C@]2(C(=O)NCc3ccon3)CC2(C)C)cc1 215238924 NAAQVRMLGDDEKQ-KRWDZBQOSA-N 300.358 2.667 0 50 DFAA CCc1nc([C@@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)cs1 263322643 JLEPRNPVJBQMDL-SNVBAGLBSA-N 318.398 2.824 0 50 DFAA C[C@H](Cc1ccc(NC(=O)[C@@]2(C)CCCOC2)cc1)C(=O)O 263536137 OQOBGLYHHAREEY-PXAZEXFGSA-N 305.374 2.705 0 50 DFAA CCc1ocnc1C(=O)N1CCCC[C@H]1CCn1ccnc1C 82125390 UCMLOEADGWMLKN-AWEZNQCLSA-N 316.405 2.827 0 50 DFAA COc1ccc2c(c1)C1(CC1)CN([C@H](C)C(=O)N(C)C(C)C)C2 289450723 FPRSZMFXWHSQER-CQSZACIVSA-N 316.445 2.798 0 50 DFAA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)CCCC(=O)O 426489388 QYVGCWPMOBIMKR-GFCCVEGCSA-N 315.373 2.851 0 50 DFAA COCc1nsc(NCc2cc(C)nc(N3CCCC3)c2)n1 291154930 PHJKWYQCBSSBHB-UHFFFAOYSA-N 319.434 2.600 0 50 DFAA COC[C@H]1CCN1C(=O)c1cc(C)n(-c2ccccc2Cl)n1 293789427 BZFJXKNVFBJLDU-GFCCVEGCSA-N 319.792 2.695 0 50 DFAA COc1ccc2c(c1)OC[C@@H](Cc1ccc(CC(N)=O)cc1)C2 91794214 GKUXGKSUTKMCCM-HNNXBMFYSA-N 311.381 2.517 0 50 DFAA CN(Cc1cc(-c2ccccc2)no1)c1nc(CO)cs1 95357850 MBJROWLSUHPLSS-UHFFFAOYSA-N 301.371 2.927 0 50 DFAA CCCCn1nc(-c2ccc(C(N)=O)cc2)nc1CSC 95511439 CMAQLZLSMHHPSS-UHFFFAOYSA-N 304.419 2.707 0 50 DFAA CN(CCc1ccccc1)[C@@H]1CCCN(C2CCOCC2)C1 23357978 YJMPFUHMBKCUHW-LJQANCHMSA-N 302.462 2.804 0 50 DFAA Cc1cc(C)c(NC(=O)N(C)CC2(CO)CCOCC2)c(C)c1 97172900 SJQTWKRPIVMPSU-UHFFFAOYSA-N 320.433 2.865 0 50 DFAA CNc1ncc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cn1 97570837 UNPGBAPYXQHSSX-GFCCVEGCSA-N 310.401 2.888 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 244811630 SICPVCWKJOFKHT-ZNMIVQPWSA-N 308.466 2.776 0 50 DFAA Cc1n[nH]c([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)n1 244633433 GCXXANUYYLNNHZ-ZDUSSCGKSA-N 310.361 2.500 0 50 DFAA CN(CC(=O)Nc1ccccc1)Cc1n[nH]c2c1CCCCC2 252481661 CQBYUDZXTUBROQ-UHFFFAOYSA-N 312.417 2.749 0 50 DFAA COc1ccc(NC(=O)COc2cccc3c2ccn3C)cn1 252498671 RHYSYKNWYHLKCS-UHFFFAOYSA-N 311.341 2.599 0 50 DFAA CC(C)c1nocc1C(=O)N[C@@H]1CCN(C2CCCCC2)C1 628092264 IJWRJQFBTNMQJR-CYBMUJFWSA-N 305.422 2.935 0 50 DFAA Cc1cnn(CC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)c1 534588946 OBCZIUIWALWQHV-HNNXBMFYSA-N 300.406 2.880 0 50 DFAA Cc1nc(NC(=O)[C@@H]2CCC(=O)N2)cc(-c2ccccc2)c1C 1940196517 POOKIBWXIILKGU-HNNXBMFYSA-N 309.369 2.583 0 50 DFAA CC1(C)C[C@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 269721150 UQDFZYUNZINJSZ-HNNXBMFYSA-N 318.392 2.546 0 50 DFAA CC(C)c1nc(CNC(=O)c2ccc(-c3cnco3)cc2)no1 670460421 SIRMJNSTPKFQJW-UHFFFAOYSA-N 312.329 2.778 0 50 DFAA CC(C)Cc1cc(CNC(=O)c2onc3c2CCCC3)on1 670453157 RHWXOCSGRFGQQA-UHFFFAOYSA-N 303.362 2.670 0 50 DFAA CC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1Cn1cc(-c2ccccc2)nn1 1875323520 KQLIEXRWRYTJMR-DJIMGWMZSA-N 324.428 2.982 0 50 DFAA Cc1cc(=NC[C@@H]2CCC[C@H]2O)[nH]c(N(C)c2ccccc2)n1 1875358903 MYMWZMZVSZUOAS-GOEBONIOSA-N 312.417 2.548 0 50 DFAA Cc1c(C2CC2)[nH][nH]c1=NC(=O)C1CCN(c2ccccc2)CC1 1875387692 TWRZDSFBTMWSBO-UHFFFAOYSA-N 324.428 2.873 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(C)C(F)(F)C3)n[nH]c21 1875299572 PBGLRBAVELPXSZ-BDAKNGLRSA-N 313.348 2.549 0 50 DFAA Cc1cc(CN=c2ccc3c([nH]2)CCC3)nc(N2CCCCC2)n1 1875265554 AAHGHKCMHQZTKG-UHFFFAOYSA-N 323.444 2.693 0 50 DFAA c1ccc(C[C@H](N[C@@H]2CCc3c[nH]nc3C2)[C@@H]2CCCO2)cc1 1875291754 KNVHDWSCKHRRAY-NEWSRXKRSA-N 311.429 2.647 0 50 DFAA C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@@H](C)[S@@]1=O 1875268641 QBEXOGGNBSRPBW-UHDLTTGQSA-N 320.458 2.751 0 50 DFAA CC(C)c1ccc(NC(=O)COC(=O)[C@@]2(F)CCO[C@H]2C)cc1 1875294868 PHGWEMPAXPSBBF-YVEFUNNKSA-N 323.364 2.809 0 50 DFAA CCCOc1ccccc1CCNC(=O)[C@@H](C)Cn1cccn1 952967434 ADDKGKUODXCZCX-HNNXBMFYSA-N 315.417 2.667 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2CNCCc2ncccc2C)cn1 888078277 GAZVPFLZRRIBIU-QAPCUYQASA-N 314.433 2.516 0 50 DFAA O=C(NCCc1nc(-c2ccco2)n[nH]1)[C@@H]1CCCCC1(F)F 1775986434 WWINZJZZTGAFJY-JTQLQIEISA-N 324.331 2.549 0 50 DFAA CCS(=O)(=O)c1ccccc1NC[C@H](O)c1cccc(F)c1 276380686 YUVQNHBBTWJSQD-HNNXBMFYSA-N 323.389 2.765 0 50 DFAA O=C(CCCc1cccnc1)Nc1ccc(-n2nccn2)cc1 1356147807 SMUDHUBVRQUTBT-UHFFFAOYSA-N 307.357 2.624 0 50 DFAA Cc1cccc(CCNS(=O)(=O)C[C@H]2CCC3(CCC3)O2)c1 1365640671 KWSHNAMXYYUICO-MRXNPFEDSA-N 323.458 2.559 0 50 DFAA O=C(CCc1cscn1)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630328991 XEZJYQIOZKZNCV-UONOGXRCSA-N 316.382 2.903 0 50 DFAA CC[C@@H](NCc1ccc(Br)o1)c1noc(C)n1 170089074 DFVHHJLFOIIGNM-SECBINFHSA-N 300.156 2.974 0 50 DFAA CCCCC1CCC(C(=O)NCCC2CS(=O)(=O)C2)CC1 682558474 DUNSCXRVIHFPQF-UHFFFAOYSA-N 315.479 2.534 0 50 DFAA C[C@@H](N[C@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2)c1cccnc1 400391920 NOPZICMECNEYSP-BEAPCOKYSA-N 303.406 2.740 0 50 DFAA COc1cc(C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)on1 189857053 WHYBYUATPZUZQH-MRVPVSSYSA-N 308.721 2.764 0 50 DFAA Cc1ccc([C@@H]2CS(=O)(=O)CCN2CC2=CCCCC2)o1 408525486 HHRWGCXNMWDYGL-HNNXBMFYSA-N 309.431 2.860 0 50 DFAA CC[C@H](CO)N(Cc1cccnc1)C(=O)NCc1cccs1 1506416342 VXSCUDALMNSYBY-CQSZACIVSA-N 319.430 2.626 0 50 DFAA CCc1nn(C)c(NC(=O)[C@H](c2cccc(F)c2)N(C)C)c1C 1529139980 ZXTBRKHWHLJYNC-HNNXBMFYSA-N 318.396 2.671 0 50 DFAA Cc1cc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)ccc1Cl 1704316289 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CC(C)C(C)(C)CS(=O)(=O)N1CCC(n2ccnc2)CC1 1462961079 SFLLTUGBEBEIPF-UHFFFAOYSA-N 313.467 2.532 0 50 DFAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cc2c(s1)CCCCC2 1565507244 FWENPCCEMHCZOJ-STQMWFEESA-N 318.442 2.567 0 50 DFAA O=C(O)c1ccc(F)c2c1CN(C(=O)[C@]13CCC[C@H]1C3)CC2 630242296 ZJGIRSIIAKHJEQ-BTDLBPIBSA-N 303.333 2.599 0 50 DFAA COC(C)(C)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 170995296 KFTQMLPZRMQVSO-OAHLLOKOSA-N 309.381 2.523 0 50 DFAA COCCOc1cccc(C(=O)Nc2c[nH]nc2C2CC2)c1 585130877 FDMUFRACHXQDHU-UHFFFAOYSA-N 301.346 2.565 0 50 DFAA COC[C@@H](OC)c1noc(CCCOCc2ccccc2)n1 585120217 AGIDFTDQYMSJNS-CQSZACIVSA-N 306.362 2.553 0 50 DFAA C[C@@H](O)CS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 193168857 YRAPIVIKTIGWGH-ZCFIWIBFSA-N 302.701 2.513 0 50 DFAA Cc1noc(C)c1CNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 194925322 ANJGOSNCXBILJU-DZGCQCFKSA-N 303.337 2.786 0 50 DFAA COC[C@H]1CCN(c2nc(Nc3ccccc3)c3nc[nH]c3n2)C1 663646094 HONLXJPQSVSFET-LBPRGKRZSA-N 324.388 2.569 0 50 DFAA COCc1noc(CN(C)Cc2cc(-c3ccccc3)no2)n1 1529172769 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308.378 2.570 0 50 DFAA CN(C(=O)c1cn(C)nn1)c1ccc(OCc2ccccc2)cc1 343885262 PCQVKLIFBVETIZ-UHFFFAOYSA-N 322.368 2.671 0 50 DFAA O=C(CN1CCc2ccccc2C1)Nc1ccc(F)c(F)c1 7734877 KKYPFJDLTCLIPE-UHFFFAOYSA-N 302.324 2.962 0 50 DFAA Cc1cccc(C[C@H](CO)NC(=O)[C@H]2CCCC(F)(F)C2)c1 282042378 LCGCAMNXTVPTNG-LSDHHAIUSA-N 311.372 2.840 0 50 DFAA CC[C@@H](CO)N(Cc1ccsc1)Cc1nn(C)cc1Cl 55269565 LMZSTLVUXVVJOR-LBPRGKRZSA-N 313.854 2.908 0 50 DFAA CCOC(=O)[C@H]1CCCN([C@@H](C)Cc2ccc(OC)cc2)C1 23282691 UQEPFXPWPQAKSE-HOCLYGCPSA-N 305.418 2.901 0 50 DFAA O=C(O)[C@@H]1CC[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccsc1 250154432 CCCCERQPHQNUTA-MJBXVCDLSA-N 307.415 2.925 0 50 DFAA Cc1ccc(OCc2cc(C(=O)N3CCC[C@@H](C)C3)no2)cn1 11937784 MTOPCIJBXXEEIA-GFCCVEGCSA-N 315.373 2.829 0 50 DFAA CC(C)n1cnnc1CCNC(=O)C[C@@H]1CCc2ccccc21 65508946 NYLQCDZJGALZGE-HNNXBMFYSA-N 312.417 2.638 0 50 DFAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)[C@@H]1CCCO1 20166344 CFMRDEJTNHJHTR-MSOLQXFVSA-N 316.445 2.899 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2[nH]c(C)cc2C)c1 331662122 TXAZWQNSISQIBM-GDBMZVCRSA-N 314.385 2.588 0 50 DFAA CC(C)OCCCN(Cc1ccccn1)[C@@H]1CCCNCC1 328606895 TWNRRSRBQMACFQ-GOSISDBHSA-N 305.466 2.841 0 50 DFAA NC(=O)c1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1 378128847 ACFJEEZXBMNIRB-UHFFFAOYSA-N 322.408 2.807 0 50 DFAA O=C(Cc1c[nH]c2ncccc12)N1CC[C@@H](O)c2ccccc2C1 374796060 CCFVABBZVYYRHG-QGZVFWFLSA-N 321.380 2.571 0 50 DFAA CC(C)(CNC(=O)[C@H](N)c1ccccc1)c1ccc(F)cc1 236687990 ZYUVZZQGAGNXBB-MRXNPFEDSA-N 300.377 2.920 0 50 DFAA CCCc1n[nH]cc1C(=O)N1CCC([C@H](O)CC(C)C)CC1 77439975 ISFWHJKVWFRTPC-MRXNPFEDSA-N 307.438 2.621 0 50 DFAA O=C(/C=C/c1ccccc1)N[C@H](Cc1ccncc1)C1CC(O)C1 218801991 FDBKTZUPTMCGIM-OLFFVLKBSA-N 322.408 2.593 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccn1 333269611 VVRUZSPDBSMTJB-XHSDSOJGSA-N 315.417 2.537 0 50 DFAA CC(C)c1nnc(SCC(=O)NC2CCCCCC2)n1C 17032201 WYRLJURTSZTHOI-UHFFFAOYSA-N 310.467 2.870 0 50 DFAA COC(=O)Cc1csc(N(C)C(=O)C2=CCCCCC2)n1 131454198 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Cc1cc(O)nc(CNC(=O)C[C@H](C)Cc2cccc(F)c2)n1 585126866 KFBNIGBKWDJRIN-LLVKDONJSA-N 317.364 2.515 0 50 DFAA CN(C)c1cccc(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 681697662 BEDSPFVGJIQEMH-FQEVSTJZSA-N 321.424 2.848 0 50 DFAA COC(=O)c1sc(NC(=O)/C=C/c2ccc(C)o2)nc1C 476750 BNCXYFFLKDHSRU-VOTSOKGWSA-N 306.343 2.791 0 50 DFAA Brc1cncc(-c2nc(C3CCOCC3)no2)c1 113754794 LRGYSVUEJXRMHQ-UHFFFAOYSA-N 310.151 2.788 0 50 DFAA CCc1ccc(CN[C@H]2CCOC3(CC(C(=O)O)C3)C2)cc1 1615003450 PFRAIUWOJISBJN-PQUAAJSLSA-N 303.402 2.751 0 50 DFAA COCCC(=O)NCc1cccnc1N1CCCCCCC1 11878772 VHWXXGWGSZOELD-UHFFFAOYSA-N 305.422 2.505 0 50 DFAA O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1ccncc1 12717548 QSCHDUSBRGDZGJ-SFHVURJKSA-N 309.413 2.519 0 50 DFAA CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)N1CCN(C)CC1 13328094 SKUQLJMJOOKIFJ-CQSZACIVSA-N 310.825 2.580 0 50 DFAA CC(C)Cc1ccc(C(=O)N2CCO[C@@H](CCN(C)C)C2)cc1 14973499 RSRWNTSPBUVEDS-SFHVURJKSA-N 318.461 2.678 0 50 DFAA Cc1ccc(NC(=O)CNC(=O)c2ccccc2F)c(F)c1 15565137 SUOZNTLDXJBQGD-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA COc1ccc(CN2CCN(Cc3ccco3)CC2)c(OC)c1 19360202 YFXURUYQNULWME-UHFFFAOYSA-N 316.401 2.615 0 50 DFAA Cc1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1C 19959479 GNZDQLYPYPALOV-UHFFFAOYSA-N 320.396 2.998 0 50 DFAA CCNC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 4545245 WJFRFMLRUBBRED-UUVOMYAKSA-N 320.392 2.993 0 50 DFAA CC[C@](C)(NC(=O)c1cc(C2CC2)n(C)n1)c1nccs1 607838230 AUJIQXQQHXMUMY-HNNXBMFYSA-N 304.419 2.809 0 50 DFAA Cc1c(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)cnn1C 225446388 HKEOTLHRJQVHIU-UHFFFAOYSA-N 315.354 2.894 0 50 DFAA CC(C)n1cnnc1CNC(=O)Cc1ccc(F)cc1Cl 122719376 BENIOIBLXJYVEN-UHFFFAOYSA-N 310.760 2.510 0 50 DFAA CCC[C@H]1CN(C(=O)Nc2cc(-c3ccoc3C)on2)CCO1 331887017 DUGKRPDTOVBSQP-LBPRGKRZSA-N 319.361 3.276 0 50 DFAA Cc1nn(C)c2nc(N[C@@H](C)[C@H](O)c3ccc(O)cc3)sc12 247994598 CMVFOHRMSJNYII-UFBFGSQYSA-N 318.402 2.578 0 50 DFAA CC/C=C/CC(=O)N1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 248292833 UZEDKCZBPSKANK-RYIMYRPNSA-N 305.349 2.809 0 50 DFAA CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1F 377415329 BZYJFSZELXRIGD-CYBMUJFWSA-N 318.392 2.970 0 50 DFAA C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(C(=O)c1cc[nH]c1)C2 585128797 NUAJSWKZTMJHBO-PMACEKPBSA-N 323.440 2.999 0 50 DFAA C[C@](CO)(Cc1ccc(Cl)cc1)NCc1noc(C2CC2)n1 933450820 YAGOYSGCDBIHCC-MRXNPFEDSA-N 321.808 2.684 0 50 DFAA COc1cc(-c2ccc(OC)c(OC)c2OC)c(=N)[nH]c1C 2100557416 ROSOIQQXFFBIMI-UHFFFAOYSA-N 304.346 2.504 0 50 DFAA O=C(O)c1cccc2c1OCCN(Cc1cc(C(F)F)on1)C2 2325787466 AQQISYJOXBDKTN-UHFFFAOYSA-N 324.283 2.705 0 50 DFAA Cc1c[nH]c(-c2ccc(NC(=O)c3csc(CN)n3)cc2)n1 2325856420 PDIPVZLWMCNROG-UHFFFAOYSA-N 313.386 2.553 0 50 DFAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 121242 VVFKTKMJQFGSQF-CQSZACIVSA-N 310.419 2.598 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OCC)cc2)C1 31637 VIMYQXGFPMJSKO-CQSZACIVSA-N 305.374 2.501 0 50 DFAA COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 64703 NTWXCFYTXNRXLO-UHFFFAOYSA-N 304.371 2.725 0 50 DFAA CCOC(=O)c1c(C)n(C)c2ccc(O[C@H](C)C(=O)O)cc12 352377 HABYFWDQSKWUTF-SNVBAGLBSA-N 305.330 2.515 0 50 DFAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(C(F)(F)F)c1 759241 QUSCTJMZGNDULW-NSHDSACASA-N 313.275 2.756 0 50 DFAA CN(Cc1ccn2ncnc2c1)C[C@H]1CCN(c2ccccc2)C1 2356163751 PQZZJYNFELFXKJ-QGZVFWFLSA-N 321.428 2.688 0 50 DFAA CCOC(=O)[C@@H]1CCCCN1Cc1ccc(NC(C)=O)cc1 4977510 LTTIQQKWTGOUHL-INIZCTEOSA-N 304.390 2.563 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101335796 CUXKGUCXKYQWSO-BHYGNILZSA-N 314.404 2.796 0 50 DFAA C[C@H](c1ccc(C(=O)NCCc2c[nH]cn2)o1)N1CCCCC1 55153146 XQHBYMNZUFERNA-CYBMUJFWSA-N 316.405 2.522 0 50 DFAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)c1ccc(Cl)cc1 247735610 KOTVPDCOHJLAJS-MCIONIFRSA-N 307.777 2.549 0 50 DFAA CC[C@@H](CO)N(Cc1cccs1)Cc1cccnc1NC 55358501 JWCFCTFXEYZQAL-AWEZNQCLSA-N 305.447 2.958 0 50 DFAA Cc1ccc(NC(=O)CN[C@H](C)CN2CCCCC2)c(F)c1 67676275 LNNWEYNIYFPBMS-CQSZACIVSA-N 307.413 2.537 0 50 DFAA O=C1CCC[C@H](Cc2nc(COc3ccc(Cl)cc3)no2)N1 349966792 JXOZPUWPUXAIPJ-LLVKDONJSA-N 321.764 2.513 0 50 DFAA CCc1ccc(-c2nccn2C[C@@H]2CC(=O)N(C(C)C)C2)o1 67724902 ICXWMHNVBKBHES-ZDUSSCGKSA-N 301.390 2.962 0 50 DFAA Cc1cccc(N2CCN(C[C@H](O)CC(F)(F)F)CC2)c1C 252527742 DFULKKVYSZVTNZ-CQSZACIVSA-N 316.367 2.739 0 50 DFAA Cc1ccsc1C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 229877297 MMZUNOHVVCHZAH-SOUVJXGZSA-N 322.474 2.770 0 50 DFAA CCOc1ccccc1CN1CCN(CC(C)C)C[C@@H]1CCO 20387700 SNQRTWDCKYYNBU-SFHVURJKSA-N 320.477 2.610 0 50 DFAA Cc1cc(-c2noc(Cc3cccc4c3CCNC4)n2)ccc1O 863670858 SRTFKJZYQJQOBS-UHFFFAOYSA-N 321.380 2.987 0 50 DFAA Brc1nc(Br)c(Br)[nH]1 967314 JCGGPCDDFXIVQB-UHFFFAOYSA-N 304.767 2.697 0 50 DFAA biogenic Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C)n[nH]3)[C@@H](C)CO2)c1 172729225 HIGLKXRFDRQXNF-WMLDXEAASA-N 313.401 2.937 0 50 DFAA C[C@@H]1CCN(C(=O)Nc2ccc(F)cn2)C[C@@H]1n1ccnc1 123423666 VFAFKADCDVDWJO-YPMHNXCESA-N 303.341 2.532 0 50 DFAA CC(C)(C)[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)c2ccccc21 331925498 HXNCIYJJNYBIJE-CQSZACIVSA-N 323.396 2.971 0 50 DFAA CC(C)n1c(CNC(=O)[C@@](C)(O)C2CCC2)nc2ccccc21 362804915 IHNBHKOHQOIFSB-SFHVURJKSA-N 315.417 2.785 0 50 DFAA Cn1cccc1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 363660224 DBPPCXDXYJVYKX-ZDUSSCGKSA-N 317.820 2.935 0 50 DFAA Cn1ccnc1N1CCC(NC(=O)c2cc3ccccc3o2)CC1 365483852 ZQSUQTHQTVBSPR-UHFFFAOYSA-N 324.384 2.565 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2CCC2C[C@H](C)C[C@@H](C)C2)n1 370399481 USQYCPKMTWYLDO-CZPYZCIJSA-N 307.438 2.948 0 50 DFAA N[C@H]1C[C@H](NCCc2ccc3c(c2)OCCO3)c2ccccc21 261943350 VAENXLXRXLUVFG-IRXDYDNUSA-N 310.397 2.735 0 50 DFAA O=C(Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)[C@H]1CC12CCNCC2 261917600 IEXIEQVLVBFINX-IGQOVBAYSA-N 314.433 2.642 0 50 DFAA Cc1cc(NCCn2nc(C(F)(F)F)cc2C)n2nccc2n1 72419138 RITWRKRDGKJHCV-UHFFFAOYSA-N 324.310 2.674 0 50 DFAA Cc1nn(C)c(C(=O)NCCSc2ccccc2)c1Cl 216341983 BPRPPLSETBCRNV-UHFFFAOYSA-N 309.822 2.904 0 50 DFAA O=C(C1CCNCC1)N1CCC[C@H]1Cc1ccccc1Cl 237893040 SGPLRZLBYIRZMI-HNNXBMFYSA-N 306.837 2.873 0 50 DFAA CCCCN1C(=O)CC[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 14993797 NPFZQIAFUYIXGQ-WBVHZDCISA-N 301.434 2.695 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCCCC1 426420843 XANXIDHJTMVPCI-HNNXBMFYSA-N 301.386 2.964 0 50 DFAA Clc1cc2[nH]nc(I)c2c(Cl)n1 514260768 JBQGCWADZPMKTO-UHFFFAOYSA-N 313.913 2.869 0 50 DFAA CSc1cccc(NC(=O)NCC2(N(C)C)CCOCC2)c1 95525426 AYKBERAHVQVGEJ-UHFFFAOYSA-N 323.462 2.641 0 50 DFAA CN1CCC(CCC(=O)NCCc2nc3ccccc3o2)CC1 426707213 MRYIKUWLLFDHLV-UHFFFAOYSA-N 315.417 2.609 0 50 DFAA C[C@H](CO)CN1CCN(c2ccccc2-c2ccccc2)C(=O)C1 91829747 MVGLHAOYISYOBB-INIZCTEOSA-N 324.424 2.631 0 50 DFAA CO[C@@H](C)c1cccc(-c2nccc(N3CCC(O)CC3)n2)c1 97757840 QZOGWNFISHUXMJ-ZDUSSCGKSA-N 313.401 2.812 0 50 DFAA CCCc1nc(CNC(=O)[C@H]2COc3ccccc3C2)cs1 91724813 RMQMHWONQUJXPE-CYBMUJFWSA-N 316.426 2.963 0 50 DFAA O=C(c1snc(O)c1Cl)N1CCC[C@@H](C(F)(F)F)C1 622290110 QLWOKHFKHALYHJ-RXMQYKEDSA-N 314.716 2.917 0 50 DFAA OC[C@]1(NCc2cccc(OCc3ccccc3)c2)CCOC1 184188161 MUAAKJBGNLCKBX-LJQANCHMSA-N 313.397 2.507 0 50 DFAA Cc1ncn(CCNC(=O)CC2CC(C)(C)NC(C)(C)C2)c1C 252490637 KYFLDBPZILFIDY-UHFFFAOYSA-N 320.481 2.563 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)/C=C/c2ccc3ccccc3n2)C1 269281499 QTYUMEJTKFCXTD-HOQKPLRVSA-N 309.413 2.834 0 50 DFAA COCCN(C)C(=O)NCc1csc(-c2cccc(C)c2)n1 534654990 HBISSWHPAKPNHG-UHFFFAOYSA-N 319.430 2.906 0 50 DFAA CCN(CC)CC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1 299785636 LAIYKKUVZMOLIA-ZDUSSCGKSA-N 318.396 2.530 0 50 DFAA CCCc1n(CCCCCn2cc[n+](C)c2CCC)cc[n+]1C 585151859 KSSMIALDMUYJPS-UHFFFAOYSA-N 318.509 2.714 0 50 DFAA CC1(C)C[C@H](C(=O)NCCc2nc3ccccc3o2)CCO1 584903442 DSVYDFKQIHDLHE-GFCCVEGCSA-N 302.374 2.692 0 50 DFAA Cc1noc([C@]23CCC[C@H]2CN(CCc2c(C)noc2C)C3)n1 685940492 BTJMSJFLHGIZEA-YOEHRIQHSA-N 316.405 2.579 0 50 DFAA CCc1ccc(CNS(=O)(=O)C[C@@H]2CCC3(CCC3)O2)cc1 1875289804 PXDTVNHUDDQSGZ-INIZCTEOSA-N 323.458 2.770 0 50 DFAA Cc1cc(Cc2nc(CCc3noc4ccccc34)no2)no1 1875272489 RDHKRVSSIDOEER-UHFFFAOYSA-N 310.313 2.883 0 50 DFAA COc1ccc(-c2ccc(C3=NNC(=O)CO3)cc2)c(C)c1F 1875347070 QDHXMGZSRIPWMF-UHFFFAOYSA-N 314.316 2.618 0 50 DFAA C[C@H](OC(=O)c1cc2ccccc2nc1O)c1csnn1 1875341449 UCDLAPWQMOECLS-QMMMGPOBSA-N 301.327 2.710 0 50 DFAA C[C@@H](NC(=O)c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 271014533 FGJJEXSKYSNKIE-PXAZEXFGSA-N 316.376 2.744 0 50 DFAA O=C(NCCn1c2ccccc2c2ccccc21)N1CC[C@H]1CO 894146645 XEKNLDYHNDBZHB-AWEZNQCLSA-N 323.396 2.571 0 50 DFAA Fc1ccc2nc(N[C@H]3CCCN(c4ncccn4)C3)oc2c1 891893537 QPMKPAKETWRUHR-LBPRGKRZSA-N 313.336 2.838 0 50 DFAA Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c1C(=O)O 958748810 XZBKPUCAHSQVLZ-UHFFFAOYSA-N 309.366 2.531 0 50 DFAA CCCCn1cc(C(=O)N2CC[C@H](c3ccon3)C2)c(C)n1 1775994097 STHKTSHIFNZESW-ZDUSSCGKSA-N 302.378 2.609 0 50 DFAA COc1cc(NC(=O)N[C@H]2CCCC[C@@H]2O)ccc1OC(C)C 186220839 VBJVEKWZIKTFLR-KBPBESRZSA-N 322.405 2.907 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H]2CCCS2)cc1 170594841 ZAEWSLMTFILGJQ-KGLIPLIRSA-N 313.488 2.642 0 50 DFAA Cc1ccnc2nc(-c3nc(-c4cccc5[nH]ccc45)no3)nn12 170595438 JPBBRHSYRJWLDW-UHFFFAOYSA-N 317.312 2.631 0 50 DFAA CO[C@@H](C)c1nc(C)c(C(=O)Nn2cnc3ccccc32)s1 170653194 MJTVFPIIARBDPD-JTQLQIEISA-N 316.386 2.893 0 50 DFAA CNC(=O)[C@@H]1Cc2ccccc2N1Cc1c(C)cc(C)nc1C 639651757 GVVQHLSVZDPANB-SFHVURJKSA-N 309.413 2.684 0 50 DFAA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nccc(N)n1 189491093 XVLHSPHTCFKDIL-FZMZJTMJSA-N 318.808 2.674 0 50 DFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1nccc(N)n1 189491070 XVLHSPHTCFKDIL-RISCZKNCSA-N 318.808 2.674 0 50 DFAA CC[C@@H](NC1CCN([C@@H](C)c2ccccc2)CC1)C(=O)OC 192849755 PPAQKLSEGKOUSL-WMLDXEAASA-N 304.434 2.753 0 50 DFAA O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1 195077870 IQLPKAZSOLXFAM-TWMKSMIVSA-N 318.392 2.938 0 50 DFAA C[C@H]1COCC[C@@H]1NC(=O)NCC(F)(F)c1cccc(F)c1 661068784 DRIWQTPILRYUTA-GWCFXTLKSA-N 316.323 2.642 0 50 DFAA Cc1cc2ccc(C(=O)N[C@@H](C)[C@@H](O)Cc3ccccc3)cn2c1 673031410 BDABGLBXXDRHEO-KXBFYZLASA-N 322.408 2.970 0 50 DFAA CCCn1/c(=N/c2nccn3cnnc23)n(CC)c2ccccc21 585092445 WZIZFOBHDJLYQV-LVZFUZTISA-N 321.388 2.543 0 50 DFAA C[C@@H]1CCCc2cc(-c3noc([C@@](C)(O)C4CC4)n3)c(O)nc21 585120455 OIPJLAWASIRYPS-XLFHBGCDSA-N 315.373 2.895 0 50 DFAA Cn1nc(CNC(=O)Cc2noc3ccccc23)c2ccccc21 680563375 OJSUUDDONJKONL-UHFFFAOYSA-N 320.352 2.573 0 50 DFAA Cc1cc(Cl)ccc1OCCN(C)CCc1nccn1C 1506417956 MQTOWQXJJXKFGD-UHFFFAOYSA-N 307.825 2.935 0 50 DFAA Fc1ccc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c(Cl)c1 1529151232 ILDBJXYWUPRVHR-NVXWUHKLSA-N 324.827 2.774 0 50 DFAA CCCc1nc(C(=O)N2C[C@H](CCC)[C@@H](C(=O)O)C2)cs1 222028135 AQNMXMOLSKWMJG-QWRGUYRKSA-N 310.419 2.669 0 50 DFAA C[C@H](c1noc(Cc2ccc3c(c2)CCCO3)n1)n1ccnc1 1615046032 SKWNWLIXGRCPGM-GFCCVEGCSA-N 310.357 2.791 0 50 DFAA c1ccc2[nH]c(C3CCN(CC[C@@H]4COCCO4)CC3)nc2c1 1775977613 IFXQJXWTLRGQFC-OAHLLOKOSA-N 315.417 2.548 0 50 DFAA CCN(CC)C(=O)[C@H]1CCCN(C2Cc3ccccc3C2)C1 5092849 CICLFNKFCSRHCK-KRWDZBQOSA-N 300.446 2.734 0 50 DFAA O=C(Cc1cccnc1)N1CCO[C@@H](CCCc2ccccc2)C1 12320596 QLIBIANXLVKDEF-IBGZPJMESA-N 324.424 2.874 0 50 DFAA CCc1csc(CNC(=O)c2ccc(NC3CCC3)nc2)n1 14956982 AQAXZQBLXPUMRS-UHFFFAOYSA-N 316.430 2.995 0 50 DFAA CCc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)CC1 16579993 MZTBGEDFHLUJNH-UHFFFAOYSA-N 313.401 2.503 0 50 DFAA CC[C@@H](CN(C)C)n1ccnc1-c1cc2ccccc2n(C)c1=O 1857677577 ILGHZTWQDVYIQY-HNNXBMFYSA-N 324.428 2.915 0 50 DFAA Cc1nc(N2CCC(c3ccnc(O)c3)CC2)c2[nH]ccc2n1 1857693507 ZWCPRGSXYYWVLA-UHFFFAOYSA-N 309.373 2.751 0 50 DFAA c1ccc2nc(N3C[C@@H]4C[C@H](C3)[C@@H]3CCCCN3C4)cnc2c1 1857714540 CZUUSXVSMXEERP-RKVPGOIHSA-N 308.429 2.940 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1F 225531162 RSSPULHJDABVEK-IINYFYTJSA-N 323.318 2.769 0 50 DFAA O=C(N[C@H]1CC12CCCCC2)N1CC[C@H](Oc2ccccn2)C1 332804804 NRTFJOYEMITLNR-GJZGRUSLSA-N 315.417 2.967 0 50 DFAA CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C(=O)O)nc1 236910524 BASMEZQKAUFEMA-UHFFFAOYSA-N 320.295 2.720 0 50 DFAA CCN1CC[C@H](N[C@H](C)C(=O)O)[C@@H]1c1ccc(Cl)c(F)c1 263575559 PETKJGTZDIBBPE-IIMNLJJBSA-N 314.788 2.677 0 50 DFAA Cc1cccc(C(=O)O)c1NC(=O)[C@@H](C)OC[C@H]1CCCCO1 905268291 HBULFDHZOMPMRM-CHWSQXEVSA-N 321.373 2.606 0 50 DFAA C[C@@H](NC1CC1)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C 852907872 HAPROGZQJTYXJH-MLGOLLRUSA-N 320.408 2.645 0 50 DFAA CCOC(=O)C[C@H](NC(=O)C1CC1)c1ccc(OCC)cc1 4653339 LXXOQGHFDGOJLJ-HNNXBMFYSA-N 305.374 2.606 0 50 DFAA Cc1cccc(OCCn2c(CCNC=O)nc3ccccc32)c1 4810336 DPHUBPPDCLCJIW-UHFFFAOYSA-N 323.396 2.712 0 50 DFAA CSC(C)(C)[C@H](N)C(=O)NCc1ccc(C(F)(F)F)cc1 2100477218 QZJWOXKOWQDUHA-LLVKDONJSA-N 320.380 2.791 0 50 DFAA Cc1nc(-c2ccc(CN=c3[nH]c(C)nc(C)c3C)cc2)n[nH]1 2325775535 DMTSIYMPWXLLTI-UHFFFAOYSA-N 308.389 2.529 0 50 DFAA CN(Cc1cn(Cc2cnn(-c3ccccc3)c2)nn1)C(C)(C)C 905057597 ZHXLPRUKTMMTJP-UHFFFAOYSA-N 324.432 2.742 0 50 DFAA CC(=O)Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 121678 DDWJAEWMQKTSGV-UHFFFAOYSA-N 324.380 2.574 0 50 DFAA COc1ccc(CC(=O)NC[C@@H]2OCCc3ccccc32)cc1 204263 NKGCPEFGOPNNBG-SFHVURJKSA-N 311.381 2.668 0 50 DFAA CN1CCC(N(C)C2CCN(Cc3ccccc3)CC2)CC1 280041 KUFNQPDVXMENIU-UHFFFAOYSA-N 301.478 2.677 0 50 DFAA NC(=O)c1sc2c(c1N)[C@@H](c1ccccc1Cl)CC(=O)N2 302305 FUKSQWDADGTLSY-SSDOTTSWSA-N 321.789 2.557 0 50 DFAA O=C(COc1ccccc1)N1CCN(c2ccccc2F)CC1 317535 OBDNXHGDUUYZIG-UHFFFAOYSA-N 314.360 2.553 0 50 DFAA COC(=O)c1c(C)oc2cc(Br)c(O)c(C=O)c12 462739 QTZIXEGTNNWKPW-UHFFFAOYSA-N 313.103 2.808 0 50 DFAA biogenic CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(OCC(N)=O)cc2)C1(C)C 1427351 PSNNGUDFSQRFJC-GOEBONIOSA-N 316.401 2.728 0 50 DFAA COC(=O)[C@@H](CC(C)C)NC(=O)CCCOc1ccccc1 2756189 ZIDHOAUPZOTOPG-OAHLLOKOSA-N 307.390 2.550 0 50 DFAA CCn1cc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cn1 2794531 YJIGCIGGWRRXNE-UHFFFAOYSA-N 310.357 2.830 0 50 DFAA COc1ccc([C@]2(O)CC(C)=NN2C(=O)OC(C)(C)C)cc1 4671813 YITAQKPNNZELDO-MRXNPFEDSA-N 306.362 2.857 0 50 DFAA CC(=O)Oc1cc(OC(C)=O)cc(C(=O)Nc2ccccc2)c1 6703329 UFCWIOPVYIOWJM-UHFFFAOYSA-N 313.309 2.790 0 50 DFAA CN(C[C@H]1CCCCO1)C(=O)c1cn(C2CCCCCC2)nn1 11814212 HJNXJUFFLPOCIE-OAHLLOKOSA-N 320.437 2.815 0 50 DFAA Cc1ccoc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 11843984 YHUSUINEVZNJIM-CYBMUJFWSA-N 304.390 2.642 0 50 DFAA C[C@@H](Oc1ccccc1Cl)C(=O)NCCCn1ccnc1 12380668 IRAZNNUBEJXLTP-GFCCVEGCSA-N 307.781 2.510 0 50 DFAA COc1ccc(OC)c(CN2CCN(C3CCCC3)CC2)c1 19842211 ANKAPOMHNSPZHH-UHFFFAOYSA-N 304.434 2.764 0 50 DFAA Cc1cc2cccc(C(=O)N3CCO[C@H](CCN(C)C)C3)c2o1 20202444 KUODEWWAWQTGFK-OAHLLOKOSA-N 316.401 2.534 0 50 DFAA CC1(C)C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)CCO1 20599083 IMCUOKLHPZCVGT-AWEZNQCLSA-N 320.408 2.680 0 50 DFAA O=C(COc1ccc(F)cc1)Nc1ccnn1Cc1ccco1 28580789 HDYROYGYWLMSIH-UHFFFAOYSA-N 315.304 2.681 0 50 DFAA CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)Cn1ccnc1 55108995 BXLGOSNLNGJBGZ-INIZCTEOSA-N 301.390 2.892 0 50 DFAA CN(C)CCN(Cc1ccsc1)C(=O)CCc1cccnc1 55413692 IYEAIFLTABEGTB-UHFFFAOYSA-N 317.458 2.666 0 50 DFAA C[C@H](C(=O)NCc1cccnc1Oc1ccccc1F)N(C)C 67774400 GYTJPRMCFUANGW-GFCCVEGCSA-N 317.364 2.579 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 72508249 LJLDYZUOJLULEF-ZYGGUILKSA-N 324.384 2.513 0 50 DFAA Cc1ccccc1N1C[C@@H](C)N(C(=O)Cc2ccccc2)CC1=O 82106198 FXHBSVGCNAKZRE-MRXNPFEDSA-N 322.408 2.801 0 50 DFAA O=C(CCc1ccccn1)N1CCCC[C@@H]1CCn1ccnc1 82114445 CZLMOVFUVLASMO-QGZVFWFLSA-N 312.417 2.682 0 50 DFAA CC(C)OC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91965696 XHTRGSLXWRHSTG-GOEBONIOSA-N 316.401 2.768 0 50 DFAA O=C1CCCCCN1CC(=O)N1CC[C@@H]1c1ccc(F)cc1 95516456 VGAAWJREANOSME-OAHLLOKOSA-N 304.365 2.502 0 50 DFAA COc1cc(C(N)=O)ccc1OC1CCN(C2CCCC2)CC1 95531371 GJWBXYITVJSKNM-UHFFFAOYSA-N 318.417 2.580 0 50 DFAA CSc1ncccc1-c1nc(C2CCCC2)nn1CCO 96138232 FLJZOXZBVXCCMJ-UHFFFAOYSA-N 304.419 2.712 0 50 DFAA O=C(Nc1cccc2cn[nH]c12)N[C@H]1COC2(CCCC2)C1 96153807 XENTWGWNLJFOAE-GFCCVEGCSA-N 300.362 2.786 0 50 DFAA CN(CC1(O)CCCC1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 131503884 OHVLBAJOQVNWCJ-HNNXBMFYSA-N 324.465 2.815 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CCC[C@@H](C(=O)O)C2)c1 136116995 WDSOBQRZWOCIDT-OAHLLOKOSA-N 319.401 2.867 0 50 DFAA Cn1c(CN[C@@H](CC(=O)O)c2ccsc2)nc2ccccc21 170090940 YMHODKJJTQABIG-ZDUSSCGKSA-N 315.398 2.940 0 50 DFAA O=C(NCCC1=CCCCC1)NC[C@H](O)Cc1ccccc1 171572251 WXWNTDNKPIUKRA-QGZVFWFLSA-N 302.418 2.780 0 50 DFAA C1CCN(CCN2CCC(OC[C@@H]3CCCCO3)CC2)CC1 177596231 XORFTAFTDVBVTJ-SFHVURJKSA-N 310.482 2.522 0 50 DFAA Cc1cccc(NC2CCN(C(=O)c3coc(CN)c3)CC2)c1 188231579 BBOXLKKAHHJIOW-UHFFFAOYSA-N 313.401 2.763 0 50 DFAA CCc1nnc(CN(CC)Cc2c(OC)ccc(F)c2F)o1 215284337 XGFDSUQTGDPHEV-UHFFFAOYSA-N 311.332 2.941 0 50 DFAA c1ccc(C(CN2CC(N3CCOCC3)C2)c2ccccc2)cc1 215867368 SHXGTRJKMSFKGF-UHFFFAOYSA-N 322.452 2.835 0 50 DFAA CN(CCc1cnn(C)c1)Cc1cc(CN2CCCC2)cs1 216078004 SECFJJFEVRTTGZ-UHFFFAOYSA-N 318.490 2.752 0 50 DFAA O=C(Cc1cccc(C(F)(F)F)c1)NCC[C@@H]1CCOC1 220407120 ZYZNIBVEJIVPEE-LLVKDONJSA-N 301.308 2.791 0 50 DFAA CCS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@@H]2CO)cc1 225521007 FWEDBOFSXIIGHK-CZUORRHYSA-N 311.447 2.833 0 50 DFAA O=S(=O)(c1ccc(Cl)s1)N1CCO[C@H]2CCCC[C@H]21 230067235 YHMLDSPAMJCDCB-ZJUUUORDSA-N 321.851 2.734 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 237645451 IDEAASKEHUAKSB-KBXCAEBGSA-N 301.386 2.820 0 50 DFAA N[C@@H]1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)C1 237928777 XXIBIVCJKVEQLR-MRXNPFEDSA-N 314.360 2.578 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1 238080083 GOBKQSCJUSTLNE-GFCCVEGCSA-N 320.732 2.684 0 50 DFAA Cc1csc2c(N[C@@H]3CCO[C@]4(CCOC4)C3)ncnc12 239367120 AHPJLUWRHNKNDL-IAQYHMDHSA-N 305.403 2.750 0 50 DFAA CC(C)COC(=O)N1CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 245482735 DLUKGIHCOQOYID-ZSHCYNCHSA-N 322.449 2.750 0 50 DFAA CC(C)(C)c1nnc(N2C[C@@H]3CN4CCCC[C@@H]4[C@H]3C2)s1 252477953 YMQASIMLPOXXKV-RWMBFGLXSA-N 306.479 2.756 0 50 DFAA CCc1nc2cc(N[C@H](CS(C)(=O)=O)C3CC3)ccc2o1 252492960 MYIXWMSIKPPJQK-CYBMUJFWSA-N 308.403 2.625 0 50 DFAA C[C@@H]1CN(C(=O)c2cncc(-c3ccccc3)c2)C[C@H]1C(=O)O 263264078 VDZOONBSCHPOEA-MLGOLLRUSA-N 310.353 2.541 0 50 DFAA CO[C@@H](C(=O)N1CCCC2(CCOCC2)C1)c1ccccc1 266248828 UQKMVGUYSQIKFZ-MRXNPFEDSA-N 303.402 2.793 0 50 DFAA Cc1noc(C(C)C)c1C(=O)N1C[C@@H](CO)c2ccccc21 293910474 MHDYBEGLSTULHW-LBPRGKRZSA-N 300.358 2.843 0 50 DFAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1cc2ccccn2c1 299746782 ZSEHHCRYNQERQI-DLBZAZTESA-N 307.353 2.594 0 50 DFAA C[C@H]1CCCCN1CC(=O)NCc1nc(C2CCCCC2)no1 299781293 FFDDUVVZHLJLTB-ZDUSSCGKSA-N 320.437 2.608 0 50 DFAA CCc1ccc(CN2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)nc1 299786030 LPQISUVYHFBFQS-OKZBNKHCSA-N 304.434 2.802 0 50 DFAA N[C@H]1CCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 299787419 NKIHMHPFCZZNJI-QMMMGPOBSA-N 305.325 2.863 0 50 DFAA Cc1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)no1 328632121 RPKYDGIBHRTFGY-LLVKDONJSA-N 305.403 2.940 0 50 DFAA CCCC[C@H](CC(=O)O)NC(=O)c1ccc(C(C)C)nc1O 426487610 VUQUEBWETVXSSI-LLVKDONJSA-N 308.378 2.674 0 50 DFAA CN1CC[C@H](CNC(=O)N2CCC(c3ccccc3)CC2)C1 426509987 GKKVUESLLMUJEL-OAHLLOKOSA-N 301.434 2.527 0 50 DFAA Cc1cc(C)nc(-c2ccc(C(=O)N3CCCC[C@H]3CN)cc2)n1 426541512 QJZQAPPYCAXBRY-KRWDZBQOSA-N 324.428 2.714 0 50 DFAA Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccccc3)n2)c1 428389309 ZEYUDEJDOUGJES-LBPRGKRZSA-N 307.357 2.666 0 50 DFAA O=C(O)c1cc(S(=O)(=O)Nc2ccc3ccoc3c2)cs1 442839410 WHBYHPBZPZJYHM-UHFFFAOYSA-N 323.351 2.993 0 50 DFAA Cc1ccc(CC(=O)N(C)Cc2cnc(C(C)C)nc2)cc1O 442978059 WTJRFWPXEKZTNC-UHFFFAOYSA-N 313.401 2.815 0 50 DFAA Cc1ccc(OC[C@@H](C)NC(=O)N2CCC3(CCO3)CC2)cc1 534648675 VROQSQQORXFGQM-OAHLLOKOSA-N 318.417 2.727 0 50 DFAA COCCCn1cc(Br)c2ccc(F)cc2c1=O 585090034 ZFINVTYXAXAROK-UHFFFAOYSA-N 314.154 2.940 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](n2ccnn2)CC1 585127551 CZZDWQPVLZXEGL-YHUYYLMFSA-N 302.422 2.658 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)CO1 617051735 RMYULSWKAUGRGA-GFCCVEGCSA-N 319.792 2.823 0 50 DFAA C[C@@H](O)C1(Nc2ncnc3cc(Br)sc23)CC1 664548819 FTKKZZXWMCRTJE-ZCFIWIBFSA-N 314.208 2.779 0 50 DFAA COc1ccc2[nH]c(CNC(=O)Cc3c(C)noc3C)cc2c1 670458338 ZDSSDCFVKKVJFK-UHFFFAOYSA-N 313.357 2.640 0 50 DFAA CCCn1c(NC(=O)[C@H]2NCC23CCCC3)nc2ccccc21 852779800 JGUCRHFUNIEYDE-OAHLLOKOSA-N 312.417 2.917 0 50 DFAA Cc1cc(C)n(Cc2ccc(-c3noc([C@H]4CCNC4)n3)cc2)n1 886043285 GYGADRORGUCZSH-INIZCTEOSA-N 323.400 2.675 0 50 DFAA CC(C)Cc1ccc(C(=O)Nc2ncc(C(N)=O)s2)s1 901751388 RTIBIUUKYRFQRE-UHFFFAOYSA-N 309.416 2.754 0 50 DFAA CC1CCN(C(=O)COc2ccc([C@@H]3CCCN3)cc2)CC1 905616088 CUXVUJSUFBOCNX-KRWDZBQOSA-N 302.418 2.748 0 50 DFAA COc1ccccc1C1CCN(C(=O)C2=C(C)OCCO2)CC1 952976467 RTCJXGDRZRDAOH-UHFFFAOYSA-N 317.385 2.680 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)c1ccc(-n2ccnc2)cc1 1529101853 OSIFAVPQLQSFAF-UHFFFAOYSA-N 309.373 2.729 0 50 DFAA Cc1ccc(C)c(CC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c1 1529104787 TVTDQAAAPFPRBB-MOPGFXCFSA-N 324.424 2.615 0 50 DFAA Cc1nc(C)n([C@H]2CCCN(Cc3ccnn3C3CCC3)C2)n1 1615057100 UZPLFGUSYQFOHU-INIZCTEOSA-N 314.437 2.654 0 50 DFAA CC[C@H](C(=O)NCc1ccc(O)c(OC)c1)C1(O)CCCCC1 1615586495 NQNCQBYIBXTPAN-CQSZACIVSA-N 321.417 2.738 0 50 DFAA Clc1cc(CN2CC[C@H](c3ncccn3)C2)cc2c1OCO2 1616035045 PKHYWVJKJOISMA-LBPRGKRZSA-N 317.776 2.848 0 50 DFAA C[C@@H](Cc1ccco1)n1nnnc1N1Cc2cccc(F)c2C1 1875272363 HHKYSPFFRIXXPX-NSHDSACASA-N 313.336 2.729 0 50 DFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccnc(O)c1 1940197916 AYFJDXWLMNWTDS-MRVPVSSYSA-N 310.712 2.986 0 50 DFAA Cc1cc(C)n(Cc2ccc(-c3cnc4c(c3)CCN4C)nc2)n1 2100544871 MKLDVGBRSSSFNG-UHFFFAOYSA-N 319.412 2.998 0 50 DFAA O=c1ccnc2n(CC[C@@H](c3ccccc3)C(F)F)ccn12 2325777461 CSZTZBOJZBLMIM-ZDUSSCGKSA-N 303.312 2.935 0 50 DFAA COc1cc(C(=O)Nc2cccc(O)c2)cc(OC)c1OC 47664 QIHJCUNJWNGEAW-UHFFFAOYSA-N 303.314 2.670 0 50 DFAA biogenic CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(F)cccc1Cl 73740 YDOIFZYRMSMSRA-LBPRGKRZSA-N 312.728 2.670 0 50 DFAA O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 98856 DNIYSTOLEMJBHT-UHFFFAOYSA-N 314.366 2.585 0 50 DFAA Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1C 304044 LFZNPWVLRLMCKV-UHFFFAOYSA-N 313.353 2.727 0 50 DFAA CN(CC[C@H]1CCCCN1C)C(=O)N[C@H]1COc2ccccc21 246574329 ZMDBSTVFNSQRRT-ZBFHGGJFSA-N 317.433 2.636 0 50 DFAA COCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 2832664 XVUNRWYNNAVEIQ-UHFFFAOYSA-N 305.399 2.587 0 50 DFAA COc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1Cl 2902039 UHXDZFQGYRZTQX-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA CCCCNC(=O)N(O)[C@@]1(C)SC(=S)N(C)C1(C)C 3876663 OBCJLULUQNULQN-LBPRGKRZSA-N 305.469 2.646 0 50 DFAA COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1 4725478 RTYIZSSTYSYJTC-UHFFFAOYSA-N 304.434 2.679 0 50 DFAA O=C(NCc1nc(-c2ccccc2)no1)C(Cl)(Cl)Cl 4840461 JUUTUKJKJPKQIG-UHFFFAOYSA-N 320.563 2.723 0 50 DFAA Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@H](C)C3)CC2=O)c1 9197534 BIQUTQHKSVCILR-GJZGRUSLSA-N 300.402 2.606 0 50 DFAA CC[C@H](C)N1CCC(=O)N(CCOc2ccc(F)cc2)CC1 20454891 ITXCENPACRVBTL-AWEZNQCLSA-N 308.397 2.537 0 50 DFAA C[C@@H]1CN(CCCCc2ccccc2)C[C@H]1N1CCOCC1 248572252 ROJNVHIYULXJOP-IEBWSBKVSA-N 302.462 2.662 0 50 DFAA O=C(CC1CCCCCC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 347150814 FSWJUSXILLHJQF-BBWFWOEESA-N 309.450 2.735 0 50 DFAA Cc1cc(C)c(C)c(C(=O)N2CCC3(CC2)CNC(=O)C3)c1C 65374702 MKDXSLGAHYCQEE-UHFFFAOYSA-N 314.429 2.663 0 50 DFAA CSc1ccccc1NC(=O)N1CCC2(CC1)CNC(=O)C2 65508534 CHCACVUNMGJDFZ-UHFFFAOYSA-N 319.430 2.543 0 50 DFAA CCOc1cccc(CN2C(=O)[C@](C)(C(C)(C)C)N=C2O)n1 331344919 QBACDSOGIIGZED-MRXNPFEDSA-N 305.378 2.541 0 50 DFAA C[C@H]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)[C@H]2CCCC[C@H]12 252518081 ZLIGYVAGCSPAHJ-OTJKEOIZSA-N 306.450 2.576 0 50 DFAA Cc1cc([C@@H](C)NC(=O)c2cn(C)nc2[C@@H]2CCOC2)c(C)o1 331400819 MCLLYXFOLDZEKC-DGCLKSJQSA-N 317.389 2.625 0 50 DFAA Cc1ccoc1C(=O)NC[C@@H]1CC(Cc2ccc(F)cc2)=NO1 12038823 UQKNKXDPPFWXKW-HNNXBMFYSA-N 316.332 2.845 0 50 DFAA c1cn(C[C@@H]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)C2)cn1 67880874 AGTGVKGMWPJREG-CQSZACIVSA-N 311.389 2.778 0 50 DFAA CN(C)C(=O)CCCNC1CCN(c2ccccc2Cl)CC1 65451215 GQSXFDJHRFLJLG-UHFFFAOYSA-N 323.868 2.767 0 50 DFAA Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)C2 257365527 JLXRZXBFMPTMME-HRCADAONSA-N 301.434 2.839 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1ccc2c(c1)OCO2 218804487 CUAYDQQEKXYNDE-NSHDSACASA-N 316.382 2.988 0 50 DFAA CN(CCOc1ccccc1)Cc1nc(-c2ccccn2)no1 39478977 NEIFCRYUDMNVAF-UHFFFAOYSA-N 310.357 2.642 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2CCC2C[C@@H](C)C[C@H](C)C2)n1 370399485 USQYCPKMTWYLDO-YXAMBPQSSA-N 307.438 2.948 0 50 DFAA Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 371281443 VKSZRSXTPFAAKU-ZDUSSCGKSA-N 322.368 2.660 0 50 DFAA CC(C)c1ccoc1C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 284461045 WPOJVBWTSTXFEI-STQMWFEESA-N 306.406 2.780 0 50 DFAA 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CC(=O)N[C@H]1CN(c2ncnc(C)c2C)C[C@@H]1c1ccc(C)cc1 213290017 CKESCUSBCHHEDE-MSOLQXFVSA-N 324.428 2.510 0 50 DFAA C[C@@H]1CCCc2ncc(C(=O)NCCN3CCCC(C)(C)C3)n21 1616029567 GGSYHDUINBAWNC-CQSZACIVSA-N 318.465 2.632 0 50 DFAA CC(C)c1nc(CCNS(=O)(=O)[C@H]2CC[C@H](C)C2)cs1 1615585815 MAHGYSZLNTUIIV-AAEUAGOBSA-N 316.492 2.917 0 50 DFAA Cc1cc(F)ccc1NC(=O)[C@H](C)n1nc(C)c(C)cc1=O 1848442533 ZBTFNAYVRSUXGY-LBPRGKRZSA-N 303.337 2.507 0 50 DFAA O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1N1CCCCCC1 12204437 YFZSQQITASSCSO-QZTJIDSGSA-N 324.415 2.776 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)no2)C1 12281268 CEPBPPNBLFHGQS-OAHLLOKOSA-N 314.385 2.764 0 50 DFAA CCOc1ccccc1CN1CCC(=O)N(CC2CC2)CC1 14996839 ONTAKVYZSFHSML-UHFFFAOYSA-N 302.418 2.530 0 50 DFAA CSCCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C 15067920 IFWFYZMNNPGQEQ-NSHDSACASA-N 316.430 2.777 0 50 DFAA Cc1ccccc1O[C@@H](C)C(=O)NC1CCN(C(C)C)CC1 16580039 DUYBKVJRQGCYOF-HNNXBMFYSA-N 304.434 2.751 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccc(C)c(F)c1 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2.830 0 50 DFAA COc1ccccc1N1CCN(C(=O)CCc2ccccc2)CC1 204872 FGSPSHZKBXLJOQ-UHFFFAOYSA-N 324.424 2.977 0 50 DFAA CC1=NN(C(=O)CCCc2ccccc2)[C@@](O)(C(F)(F)F)C1 301826 DHWOINVDKAKWOX-AWEZNQCLSA-N 314.307 2.868 0 50 DFAA CCOC(=O)C(=CNc1ccc2ncsc2c1)C(=O)OCC 2379841 OUIMGQCISFEGOE-UHFFFAOYSA-N 320.370 2.718 0 50 DFAA COC[C@H]1CN(Cc2nc3ccccc3nc2C)CC(C)(C)O1 343707985 KLCAHONCNIJQKY-CQSZACIVSA-N 315.417 2.564 0 50 DFAA O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CC1 4383938 FRANCINTDFUCAY-UHFFFAOYSA-N 308.337 2.744 0 50 DFAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccc(F)cc1 6726136 WDLISHSLKREADS-BBNOBNGHSA-N 305.349 2.579 0 50 DFAA COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ccncc2)cc1 225524514 FSJPFFNCJUYQTE-RTBURBONSA-N 312.413 2.962 0 50 DFAA COc1cc(C)nc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 225651270 UNESVXKAHKCRRJ-SJLPKXTDSA-N 316.376 2.846 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 8041289 BOWXIJNAPSTIPB-AWEZNQCLSA-N 316.332 2.721 0 50 DFAA O=C1CCCCN1Cc1nc(Cc2ccc(Cl)cc2)no1 113727225 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310.463 2.674 0 50 DFAA CC1(C)C[C@H](C(=O)Nc2nncn2C2CC2)c2ccccc2O1 412331051 BPTAACCVPMPBOQ-ZDUSSCGKSA-N 312.373 2.896 0 50 DFAA Cc1cccc(O[C@@H](C)C(=O)NC[C@@H]2CCCCN2C2CC2)c1 225495778 CLXQQIICECWGSC-RDJZCZTQSA-N 316.445 2.895 0 50 DFAA CCN(CC)CC[C@@H](C)OC(=O)[C@@H]1OCCc2ccccc21 3189512 MHORGFUSENCQGH-RHSMWYFYSA-N 305.418 2.964 0 50 DFAA O=C(c1ccc2[nH]nnc2c1)N1CC[C@H](Cc2ccc(F)cc2)C1 119559421 PSDUDODBILEFBG-CYBMUJFWSA-N 324.359 2.802 0 50 DFAA Cn1cnnc1S[C@H]1CCCN(c2ccccc2Cl)C1=O 125794997 CZPNAXXKBJQFNQ-LBPRGKRZSA-N 322.821 2.756 0 50 DFAA O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC[C@H](Cc2ccccc2)C1 378113797 XTXJFEXRSILBSX-CVEARBPZSA-N 324.428 2.541 0 50 DFAA O=C1CC[C@@H](c2ccc(-c3cccc([C@@H]4CCNC4=O)c3)cc2)N1 906210584 YTXVSRXJRISGSU-ROUUACIJSA-N 320.392 2.908 0 50 DFAA C/C=C/C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 912933553 ZUABQCORGFVJTE-QHHAFSJGSA-N 308.381 2.700 0 50 DFAA O=C(O)CCN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 262756915 IBYCLSODYBYJAX-MRVPVSSYSA-N 308.325 2.816 0 50 DFAA 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C[C@@H](Cc1cnccn1)N(C)Cc1nccn1Cc1ccccc1 252495514 ORXKPBVCRVUPGI-INIZCTEOSA-N 321.428 2.784 0 50 DFAA Cc1ccc(CC(=O)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)s1 629264877 KEGVUIHUGPKMGV-BLLLJJGKSA-N 319.430 2.606 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)[C@H]4CCCC[C@]43C)[C@@H]1CCC2=O 257345960 NTGNMXPYTNTRBO-UFOGPERNSA-N 306.446 2.930 0 50 DFAA CN(Cc1ccsc1)C(=O)N[C@H](c1nccn1C)C1CC1 534581240 AIRCDOWQXHUYAL-ZDUSSCGKSA-N 304.419 2.774 0 50 DFAA Cc1noc(C)c1Cn1ccn2nc(-c3ccccc3)cc2c1=O 263619116 WZDIOPSBNWWKPY-UHFFFAOYSA-N 320.352 2.816 0 50 DFAA C[C@H](Cn1cncn1)NCC1(c2cccc(F)c2)CCCC1 534675336 AMFTULNWTGMHLV-CQSZACIVSA-N 302.397 2.907 0 50 DFAA Cc1cc(S(=O)(=O)NCc2nccn2C(C)C)c(C)s1 534651059 KJGZKGZWRWOCGL-UHFFFAOYSA-N 313.448 2.621 0 50 DFAA CNc1nccnc1-c1ccc(C(=O)N[C@@H](C)C(F)(F)F)cc1 534655157 USENJYMSXKFGIW-VIFPVBQESA-N 324.306 2.866 0 50 DFAA CCc1nc(C)c(C(=O)N(C)C[C@H]2Cc3ccccc3O2)o1 299782160 SEFICYPFIPLBGY-CYBMUJFWSA-N 300.358 2.621 0 50 DFAA COc1ccc2nc(CNC3CSCCSC3)[nH]c2c1 584902983 JPZRWOUVOJONLL-UHFFFAOYSA-N 309.460 2.510 0 50 DFAA O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)NO[C@@H]1CCCCO1 164192153 HSQISFMLKCXBNQ-LESCRADOSA-N 316.401 2.648 0 50 DFAA O=C1CCc2c1cccc2C(=O)N1CC[C@@](O)(c2ccccc2)C1 584895548 HKLOXSKFOGQHAZ-FQEVSTJZSA-N 321.376 2.549 0 50 DFAA CN1C[C@H](NC2CCN(c3cccc(Cl)c3)CC2)CCC1=O 670465622 HXVAWGVECWIMQQ-OAHLLOKOSA-N 321.852 2.519 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 1875363372 QKWFQXTWCHKOSH-AWEZNQCLSA-N 314.429 2.851 0 50 DFAA Cc1cnc(F)c([C@H](C)N=c2[nH]nc(C(F)(F)F)s2)c1 1875306958 QYCWMEIPPJSWQH-LURJTMIESA-N 306.288 2.994 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C2CCN(c3nccc4occc34)CC2)O1 952886461 PIXYLJLKJNUCOB-DZGCQCFKSA-N 316.357 2.676 0 50 DFAA CC(C)c1nc([C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C2CC2)n[nH]1 952848592 JKQUIIHCWDZDHI-OLZOCXBDSA-N 313.405 2.522 0 50 DFAA CC(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CNC[C@H]32)cc1 1875267819 PQCONFKXVBYZEN-BRWVUGGUSA-N 301.434 2.607 0 50 DFAA Cc1ccccc1Cc1nnc([C@H]2OCC[C@H]2Cn2cccn2)o1 886096833 QGJWDMZTHZQAKT-RDJZCZTQSA-N 324.384 2.943 0 50 DFAA Cc1nc(NCc2cnc(N(C)C)n2C)c2c(C)csc2n1 274644196 DZDNZOCGFNIVJL-UHFFFAOYSA-N 316.434 2.720 0 50 DFAA Cc1ccc(C)c(NC(=O)C(=O)N(C)c2c(C)noc2C)c1 170609822 BDWMGKZVWYFIKA-UHFFFAOYSA-N 301.346 2.510 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)C[C@@H]1COC(=O)C1)C(C)(C)C2 585085983 IKZKXEYSZMFDTN-ZDUSSCGKSA-N 301.386 2.612 0 50 DFAA O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CCCc2c(O)cccc21 191025681 RELFQAFLTPMFLD-ZDUSSCGKSA-N 312.373 2.836 0 50 DFAA Cc1c[nH]nc1CN1CCC=C(c2cn(C(C)C)nn2)CC1 648725168 VHIUUOLVFKCXKC-UHFFFAOYSA-N 300.410 2.570 0 50 DFAA CC[C@]1(O)CCN(c2ccnc3ccc(Cl)cc23)C[C@@H]1O 211957404 JRKAKYBLRKHEOR-HOTGVXAUSA-N 306.793 2.600 0 50 DFAA CCCC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H](C2CC2)O1 1529181037 PFCNVASIXHMUHM-QZTJIDSGSA-N 316.445 2.955 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(F)cc(Br)c1 124754262 IUIHHYFCLFQNEF-PELKAZGASA-N 315.186 2.540 0 50 DFAA CC(C)c1nccc(N2CCC(O)(Cc3ccccn3)CC2)n1 1616030963 BYCPFHSJLQEGJH-UHFFFAOYSA-N 312.417 2.569 0 50 DFAA CNCc1nnc(N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)o1 1772807973 XJVAQZXCYQDOCC-GFCCVEGCSA-N 318.377 2.512 0 50 DFAA CC(C)Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 11278947 DZQMWGLSTIFZAX-UHFFFAOYSA-N 316.386 2.823 0 50 DFAA CN1C(=O)CCC12CCN(Cc1nc3ccccc3s1)CC2 14882980 YYLXVOJCFCYGGL-UHFFFAOYSA-N 315.442 2.883 0 50 DFAA CN(CC[C@H]1CCS(=O)(=O)C1)Cc1cc2cc(F)ccc2[nH]1 19811648 RFBIRTDXXQVPRB-LBPRGKRZSA-N 324.421 2.564 0 50 DFAA Cc1nn(C)c2c1[C@H](NC(=O)c1cccc3c1CCC3=O)CCC2 1857679819 WVICWFMJEZQNGJ-OAHLLOKOSA-N 323.396 2.665 0 50 DFAA CC1(C)CC[C@H](N2CCC(C(=O)NCc3ccccn3)CC2)C1 1857697830 OBLKXDDUQOIDTH-KRWDZBQOSA-N 315.461 2.989 0 50 DFAA Cc1cnc(CN2CCC3(CC2)C[C@H](O)C[C@H](C(C)(C)C)O3)[nH]1 1857700966 JAOIJDGCQQRXAU-HUUCEWRRSA-N 321.465 2.639 0 50 DFAA Cc1ccc(Cl)c(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)c1F 1857702620 DXDIAMXIRACBKD-NEPJUHHUSA-N 310.800 2.983 0 50 DFAA c1ccc(-c2n[nH]c3c2CCN(CCCn2ccnc2)CC3)cc1 1857738408 GVLWJCRHWKZXHM-UHFFFAOYSA-N 321.428 2.764 0 50 DFAA O=C(O)[C@@H]1CCCCN1Cc1cc(F)ccc1OC(F)F 662204414 HXWXXIAEMVHCQG-NSHDSACASA-N 303.280 2.866 0 50 DFAA O=C(O)[C@@H]1CC12CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 675950338 KDNSTOWIBDUZIB-ZBFHGGJFSA-N 313.397 2.820 0 50 DFAA NC(=O)C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 368554037 BGETXVOHPPXIBT-CQSZACIVSA-N 324.380 2.816 0 50 DFAA O=C(O)[C@@H]1CCCN1CCOc1ccccc1C(F)(F)F 262664000 ORCLFBRNGDSRTI-NSHDSACASA-N 303.280 2.633 0 50 DFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc2c1CCC2 262682110 WPSBNKMOMXFGPB-KRWDZBQOSA-N 309.365 2.601 0 50 DFAA C[C@@](O)(CNC(=O)c1cc(F)c(Cl)c(N)c1Cl)C1CC1 585121489 QUUDVJCKVSTMEG-CYBMUJFWSA-N 321.179 2.606 0 50 DFAA C[C@@H](NC(=O)c1ccc(NC[C@H]2CC=CCC2)cc1)C(=O)O 901717529 YXWFGTRWYCNRGB-OLZOCXBDSA-N 302.374 2.658 0 50 DFAA COc1c(Cl)cccc1-c1noc(CC[C@H]2CCC(=O)N2)n1 904184489 FNIFFYBHMVVQCU-SECBINFHSA-N 321.764 2.610 0 50 DFAA CC[C@@H](OC1CCCC1)C(=O)N[C@@H](CC(=O)O)C1CCCC1 910570267 XYBGYCBGNLJKMQ-LSDHHAIUSA-N 311.422 2.874 0 50 DFAA O=C(NC1CCCCC1)NS(=O)(=O)c1ccccc1Cl 186098 JBKZRPMDUSEYOR-UHFFFAOYSA-N 316.810 2.661 0 50 DFAA Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccnc2)c1C 467531 ULYSAYQNQPEXGD-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA CCc1cccc2c1NC(=O)[C@]2(O)CC(=O)c1cccs1 471684 AEIWZHYVLIGWLG-INIZCTEOSA-N 301.367 2.723 0 50 DFAA COC(=O)c1sccc1NC(=O)Cc1ccc(OC)cc1 475678 KMRBJGTWVOAUNX-UHFFFAOYSA-N 305.355 2.725 0 50 DFAA O=CNCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 1697387 VPSVRBGAMQZWAC-UHFFFAOYSA-N 308.425 2.966 0 50 DFAA Cc1cc(C)n(CC(=O)Nc2cccc3ccccc23)c(=O)n1 1994189 XAUFVJWJTNNGJO-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA C[C@H]1CN(C2CC2)CCN1Cc1cc(O)c2cccc(F)c2n1 2356159195 QFVLKDADTPXFDY-LBPRGKRZSA-N 315.392 2.748 0 50 DFAA Cc1nc(NC(=O)Cc2nc(-c3ccccc3)oc2C)ns1 2356162829 LYGMQALITDLCAN-UHFFFAOYSA-N 314.370 2.991 0 50 DFAA COc1cccc(CNC(=O)C(=O)Nc2cc(C)cc(C)c2)c1 3464212 ZXJFWSKYLUZCGU-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA CC[C@H](c1ccc(OC)cc1)N(CC)C(=O)Cn1ccnc1 55108997 BXLGOSNLNGJBGZ-MRXNPFEDSA-N 301.390 2.892 0 50 DFAA CCC(=O)c1ccccc1OCCSc1nc(C)cc(=O)[nH]1 8584482 WSYKDJVKBIAQLN-UHFFFAOYSA-N 318.398 2.842 0 50 DFAA C[C@@H]1CN([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCN1 420330297 AWKJAUCOTNGFAU-VXGBXAGGSA-N 320.824 2.669 0 50 DFAA Cc1ccc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c(C)c1 10682006 UMJASUSSAYPZEY-UHFFFAOYSA-N 324.380 2.976 0 50 DFAA C[C@H]1C[C@H](c2nc(-c3ccc(Cn4cccn4)cc3)no2)CO1 349944027 SLLSQPNBVAEPRI-WFASDCNBSA-N 310.357 2.874 0 50 DFAA C[C@H](CC1=CCCN(CCN2CCCC2)C1)NC(=O)C(C)(C)C 67804152 HWHMCNROEJLOQD-MRXNPFEDSA-N 321.509 2.655 0 50 DFAA C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)[C@@H]1CCCc2sccc21 235336014 UYFUJEIADPYLBV-NQBHXWOUSA-N 307.415 2.880 0 50 DFAA C[C@H](Oc1cccc(-n2ccnc2-c2ccccn2)c1)C(=O)O 67743154 YPIAYMNXJSRYHX-LBPRGKRZSA-N 309.325 2.786 0 50 DFAA O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1CCCO 4029260 BIFUFLRORSZRBD-ZHACJKMWSA-N 322.364 2.655 0 50 DFAA biogenic C[C@H]1OCCC[C@H]1C(=O)Nc1c[nH]nc1-c1ccccc1F 283769627 LONVQNFWKZZKOH-GHMZBOCLSA-N 303.337 2.969 0 50 DFAA CCCN(C(=O)c1cccc(O)n1)[C@H]1C[C@@H](OCC)C1(C)C 329902249 PGGZCOAMXZMCAI-UONOGXRCSA-N 306.406 2.843 0 50 DFAA CC[C@@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)c1ccnn1C 218956241 PAVJTEFIOCHARI-CYBMUJFWSA-N 312.373 2.791 0 50 DFAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2ccccc12 284526857 JLQMHEBUEZBVII-MNEFBYGVSA-N 312.413 2.991 0 50 DFAA Cc1cc(=O)n([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nc1C 72115877 BTLXEHXVJHOEEW-SNVBAGLBSA-N 323.755 2.852 0 50 DFAA CN(C)CCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1 78762064 GATFBRRPBLQTLZ-GOSISDBHSA-N 312.413 2.875 0 50 DFAA Cc1nc(-c2cccc(NC(=O)[C@@](C)(N)c3ccccc3)c2)n[nH]1 237822342 ALUAEFSFIGRYAG-SFHVURJKSA-N 321.384 2.593 0 50 DFAA CCC1CCC(NC(=O)c2cc(N3CCOCC3)ccn2)CC1 129378723 OJWVTBCEIMJQJA-UHFFFAOYSA-N 317.433 2.617 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(OCC(=O)O)cc1 263093926 QPZYNOVMLDWLDN-TZMCWYRMSA-N 303.358 2.684 0 50 DFAA O=C(c1ccc(Cn2ccnc2)o1)N1CCC[C@H]1c1ccccn1 71764784 AHBPDGWYONELKD-INIZCTEOSA-N 322.368 2.897 0 50 DFAA CCc1c(C(=O)N[C@@H](C(=O)N(C)C)C(C)C)[nH]c2ccccc12 215997761 GOXNXRJQKQPORK-OAHLLOKOSA-N 315.417 2.573 0 50 DFAA O=C(O)c1cnc(Oc2cccc(OC(F)(F)F)c2)cn1 40457297 BNRQALBTLCHQLY-UHFFFAOYSA-N 300.192 2.866 0 50 DFAA Cc1cccnc1N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 72149265 PQOCXEYNPJACPD-UHFFFAOYSA-N 323.400 2.695 0 50 DFAA COc1ccc(CCCC(=O)NC[C@H]2CCCCCN2)cc1 220296522 XCHZBKKMWRSWTM-MRXNPFEDSA-N 304.434 2.666 0 50 DFAA CC(C)[C@H](CC(=O)O)NC(=O)c1ccccc1N1CCCC1 222940305 NRSVEHUHRNYHQM-AWEZNQCLSA-N 304.390 2.516 0 50 DFAA Cc1c(NS(=O)(=O)C[C@H]2CCCO2)cccc1C(F)(F)F 177873475 RHBKPXDLSVRCGA-SNVBAGLBSA-N 323.336 2.935 0 50 DFAA CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](CNC)C1 179010229 OFJWXCPVKNXQQB-JSGCOSHPSA-N 310.825 2.565 0 50 DFAA C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccccc3F)c(=O)[nH]c2C1 49547594 DKNJOXQSPXBRJK-VIFPVBQESA-N 314.316 2.531 0 50 DFAA O=C(NCc1cc(-c2ccccc2)n[nH]1)c1onc2c1CCCC2 426700044 NBLQNEPPMCRFRN-UHFFFAOYSA-N 322.368 2.874 0 50 DFAA Cc1ccccc1[C@H](C(=O)N(C)Cc1cccc(O)c1)N(C)C 95512269 XAVYPKJFJMHELN-GOSISDBHSA-N 312.413 2.962 0 50 DFAA O=c1[nH]cc(-c2ncnn2CCc2ccccc2)cc1Cl 91320098 DSIDVGRHXRESGQ-UHFFFAOYSA-N 300.749 2.530 0 50 DFAA Cc1cc(C)c2c(N[C@@H](C)Cn3nc(C)cc3C)ncnc2n1 95521763 DZDBDMPFZHVUKD-ZDUSSCGKSA-N 310.405 2.956 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1O)C2 95360317 VSANNPPVYGCYSG-TZMCWYRMSA-N 322.836 2.992 0 50 DFAA C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@]1(O)C1CC1 91468381 NBJKUFNNKISOLK-BMIGLBTASA-N 313.319 2.938 0 50 DFAA CSCc1noc(CNC(=O)C[C@@H]2CCc3ccccc32)n1 91364932 PNCOWTWKMOBNGF-LBPRGKRZSA-N 317.414 2.669 0 50 DFAA Cc1nc2ccccc2nc1CN(Cc1nccn1C)C1CC1 97814889 LEEGMWRMGAVIBB-UHFFFAOYSA-N 307.401 2.836 0 50 DFAA Cc1ccccc1CN(CCO)c1nc2c(s1)c(C)nn2C 96165521 QQQDJQNRUNQBGT-UHFFFAOYSA-N 316.430 2.646 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2cncn2Cc2ccccc2)C1 243892408 AHWXMRWJFGYYFG-KRWDZBQOSA-N 324.472 2.990 0 50 DFAA O[C@H](CN1CC[C@H](n2cnc3c2CCCC3)C1)c1ccccc1 299749903 LZLJUUHLYUCBRS-QFBILLFUSA-N 311.429 2.742 0 50 DFAA O=C(Nc1ccncc1F)N1CC[C@]2(C1)OCc1ccccc12 184582782 BFRSXQVWPILZCC-QGZVFWFLSA-N 313.332 2.884 0 50 DFAA CSc1ccc(S(=O)(=O)NCC[C@H]2CCCOC2)cc1 534592153 KKGYHUVLWSJAHU-GFCCVEGCSA-N 315.460 2.504 0 50 DFAA Cc1ccc(C(N)=O)cc1NC(=O)NCCCC[C@H]1CCCO1 299779220 RDDGRLCMDADEMI-AWEZNQCLSA-N 319.405 2.565 0 50 DFAA OCC[C@H](CN[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 585134892 OIANEYHZGCFXAG-CEXWTWQISA-N 302.462 2.759 0 50 DFAA c1cc([C@H]2CCCN(Cc3noc(C4CCCC4)n3)C2)n[nH]1 670473736 VACQMABEFWJHGV-ZDUSSCGKSA-N 301.394 2.830 0 50 DFAA CCN(C)C1(CNC(=O)[C@H]2CC(C(C)C)=NO2)CCCCC1 670453089 MUJARHYOOWGPQD-OAHLLOKOSA-N 309.454 2.558 0 50 DFAA Cc1ccc(F)c(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)c1 952891283 ZHXFXMMAJXDIFZ-OLZOCXBDSA-N 317.364 2.967 0 50 DFAA O=S(=O)(c1ccoc1)N1CCC[C@H](c2ccncc2)CC1 952993406 XHBRYGBNEMALRY-ZDUSSCGKSA-N 306.387 2.633 0 50 DFAA CCc1ncnc(N2CCC(c3nncn3C(C)C)CC2)c1F 271172324 VOIJCGHVIMCDSW-UHFFFAOYSA-N 318.400 2.735 0 50 DFAA O=C1N[C@H]2C[C@@]([C@H]3CC34CC4)(N1)Oc1nc3ccccc3cc12 1875294301 QXAUOXKRYLRNDT-SUNYJGFJSA-N 307.353 2.868 0 50 DFAA C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H](C)[S@@]1=O 1875262686 DKJWBKOTTYUCDC-XMPXNBJQSA-N 324.833 2.803 0 50 DFAA CC(=O)N[C@@H](C(=O)N(C)c1ccc2[nH]ccc2c1)C1CCCC1 1875300907 VPFHYZNXGSORRC-QGZVFWFLSA-N 313.401 2.826 0 50 DFAA CC(C)[C@@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1cccc1 888103991 RLGDPODQPXDWTM-RYRKJORJSA-N 304.434 2.839 0 50 DFAA O=C1NCCN(c2cc(C(F)F)ncn2)[C@@H]1CC1CCCCC1 894251253 JQFIOBMNTVWLTL-CYBMUJFWSA-N 324.375 2.689 0 50 DFAA COc1ccc(-c2noc([C@H](C)Oc3ccc(C)cc3)n2)nn1 896388908 MYRRFMGBOYZFMY-NSHDSACASA-N 312.329 2.984 0 50 DFAA O=C(O)CCN[C@@H]1CSCc2ccc(Br)cc21 1776004826 YULAWNKOOBGLEJ-LLVKDONJSA-N 316.220 2.801 0 50 DFAA CC(C)c1cc(NCc2ccc3nc[nH]c3c2)n2ncnc2n1 585117921 BVTFAVJMULAKQD-UHFFFAOYSA-N 307.361 2.736 0 50 DFAA CN(C)C1CN(c2ncnc3c(-c4ccccc4)nsc23)C1 631184012 GQRNEHPFDXOCSD-UHFFFAOYSA-N 311.414 2.504 0 50 DFAA Cc1ccc(F)cc1CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 170602877 YXTMXUKOMSXRGV-LBPRGKRZSA-N 322.405 2.632 0 50 DFAA O=C(Nc1ccccc1N1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1CO 279829404 CSQQBSVSXVUTMN-KKUMJFAQSA-N 315.417 2.664 0 50 DFAA O=C(COc1ccccc1)N1CCC(Cc2ccccn2)CC1 171610833 OGIQTESLGXNTSC-UHFFFAOYSA-N 310.397 2.942 0 50 DFAA CCc1nocc1CSc1nnc(-c2cccnc2)n1C 408518656 SMFQSBHKVBMDHG-UHFFFAOYSA-N 301.375 2.720 0 50 DFAA O=C(NC[C@@H]1CCc2ccccc21)c1ccnc(-n2ccnc2)c1 110972252 KUZJQXDTEWOIEK-INIZCTEOSA-N 318.380 2.727 0 50 DFAA CCn1cc(Cl)cc1C(=O)N(CC(=O)O)CC(C)(C)C 692572338 CXOBXKRCWXUABW-UHFFFAOYSA-N 300.786 2.734 0 50 DFAA Cc1nccc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n1 643324780 DPTRFIQJBQJXIB-UHFFFAOYSA-N 307.357 2.840 0 50 DFAA NC(=O)c1ccc(CN2CC3(CCOCC3)c3ccccc32)cc1 191620075 ICXHZNVNZIVGND-UHFFFAOYSA-N 322.408 2.854 0 50 DFAA COC[C@H](NC(=O)CCc1cnn(C)c1)c1ccc(Cl)cc1 193497704 WSTRKFBXXGVJBS-HNNXBMFYSA-N 321.808 2.510 0 50 DFAA CC(C)Oc1ccc(NC(=O)N2CCC[C@H](CCF)C2)nn1 666823838 WTZUXDYDFFODRR-GFCCVEGCSA-N 310.373 2.867 0 50 DFAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 1758 HPNSFSBZBAHARI-RUDMXATFSA-N 320.341 2.733 0 50 DFAA biogenic,fda CCc1[nH]nc2c1CN(CCCOc1ccc(OC)cc1)CC2 1506395828 ITEWETVZUGVTNQ-UHFFFAOYSA-N 315.417 2.808 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2cnc3c(c2)CCCC3)s1 1529168846 NWZSUGOYWBFNMS-VIFPVBQESA-N 318.402 2.772 0 50 DFAA O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)N1 858689 OJUBXIFPFFZMQR-OQLLNIDSSA-N 312.300 2.585 0 50 DFAA Fc1cccnc1NCc1nnc2n1C[C@H](C(F)(F)F)CC2 1616026350 NGEWEEMPLPVLBC-MRVPVSSYSA-N 315.274 2.549 0 50 DFAA C[C@@H]1C[C@H](c2nc(-c3cc(Br)no3)no2)CCO1 1616038992 VEZXCXCYAWAVFQ-RNFRBKRXSA-N 314.139 2.770 0 50 DFAA COC[C@@H](C)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12713618 XEYCPQKXGWCJQL-CQSZACIVSA-N 311.853 2.992 0 50 DFAA CSc1cccc(C(=O)NCCc2ccc3c[nH]nc3c2)n1 1640534845 HQKPUMMOEORBGD-UHFFFAOYSA-N 312.398 2.652 0 50 DFAA C[C@H](NC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccccc1 17729228 KJJFRYZWFLLCMV-NSHDSACASA-N 308.337 2.725 0 50 DFAA O=C(O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 19941755 WURHNPAXJPIXHT-UHFFFAOYSA-N 312.277 2.629 0 50 DFAA biogenic O=C(NCc1nc2ncccc2o1)c1cccc(-c2cn[nH]c2)c1 1857666871 UXBFLHYKUCYEJB-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA Cc1cc(F)ccc1C(=O)N1CCn2c(CC(C)C)nnc2C1 252537184 KOYOLDIYCTXKRL-UHFFFAOYSA-N 316.380 2.580 0 50 DFAA Cc1csc(-c2noc(C3CCN(C(=O)C(C)C)CC3)n2)n1 408225803 LNCCBXPOQYDGBB-UHFFFAOYSA-N 320.418 2.864 0 50 DFAA CCCC(=O)NC[C@@H](NC(=O)CCC)[C@@H](C)c1ccccc1 408516175 VOSYMVFPMDLPTG-GOEBONIOSA-N 304.434 2.991 0 50 DFAA CC[C@@H](NC(=O)c1ncoc1-c1cccs1)C(OC)OC 408517153 AIHJCRPVRSVHFD-SECBINFHSA-N 310.375 2.530 0 50 DFAA Cc1ccc([C@H]2COCCN2C(=O)Nc2ccncc2F)o1 120520872 GHRUBGFLWQUFPT-CYBMUJFWSA-N 305.309 2.728 0 50 DFAA CC(C)(C(=O)N1CCC(C(=O)O)CC1)c1cccc(Cl)c1 236688218 NRJGMBHYBDFFHS-UHFFFAOYSA-N 309.793 2.941 0 50 DFAA O=C(O)[C@H]1C[C@H]1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 362493018 RKWYHRRQINWXMN-OLZOCXBDSA-N 321.336 2.889 0 50 DFAA Cn1ccnc1[C@H]1CCN(C[C@H](O)c2cccc(Cl)c2)C1 846835693 NBHTYNNAXXRBCX-ZFWWWQNUSA-N 305.809 2.596 0 50 DFAA CCc1ccc([C@H](NC[C@@H]2CCCNC2=O)c2cccnc2)cc1 926574230 ATSSLMWIVXVMIW-OALUTQOASA-N 323.440 2.849 0 50 DFAA COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1OC 210715 WYWWTTXHQDQGAX-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA Cc1cc(C)c(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)c1 100241220 MROOOLMTEWZSTB-GJZGRUSLSA-N 311.381 2.746 0 50 DFAA O=C([C@@H]1CCc2nccn2C1)N1CCc2oc3ccccc3c2C1 2325783515 CBSOEQYYLMDZOU-CYBMUJFWSA-N 321.380 2.777 0 50 DFAA CCN(CC(=O)N(C)C)Cc1cccc(-c2ccc(F)cc2)n1 2325788421 DTJJMNAKJOHXJS-UHFFFAOYSA-N 315.392 2.798 0 50 DFAA Cc1ccc(C(N)=O)cc1C(=O)NC[C@H]1CCc2ccccc21 2325792433 AXOOGDYXWQPPTK-OAHLLOKOSA-N 308.381 2.554 0 50 DFAA C[C@@H]1Cc2c(Cl)cccc2[C@@H]1N=c1ccnc(N(C)C)[nH]1 2325824778 PVOUCAXZSYUGDK-MEBBXXQBSA-N 302.809 2.963 0 50 DFAA C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1cccc(O)c1 120418007 LZNYVZWEGQUPOO-MEDUHNTESA-N 320.414 2.722 0 50 DFAA Cc1ccc(N2C(=O)c3ccccc3[C@@]2(O)c2ncc[nH]2)cc1 276882 XAVHGLRPYKSCMF-GOSISDBHSA-N 305.337 2.572 0 50 DFAA COc1ccc(CNC(=O)[C@@H](OC(C)=O)c2ccccc2)cc1 406482 WMMSZZPVOFQUCR-KRWDZBQOSA-N 313.353 2.616 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 617844 QVMMYSCIXIFTPY-OAHLLOKOSA-N 323.396 2.998 0 50 DFAA CC1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 2236867 SSCHCWIONRQBKW-CQSZACIVSA-N 306.793 2.704 0 50 DFAA Fc1ccc(-c2cnc3c(N4CCOCC4)nccn23)cc1F 2356159801 QSQZQWBTIGJORF-UHFFFAOYSA-N 316.311 2.511 0 50 DFAA CCOc1ccc(C(C)(C)NC(=O)[C@@H](N)C(C)(C)SC)cc1 2356169506 SHWSBSRMXUSXJG-CQSZACIVSA-N 324.490 2.906 0 50 DFAA Fc1ccc(Cn2cc(I)cn2)cc1 4856640 QVCHLEHVSKEGCX-UHFFFAOYSA-N 302.090 2.675 0 50 DFAA CCOC(=O)c1c(C)nsc1NC(=O)c1cccc(OC)c1 6727214 WWNFOWKJJBEFBN-UHFFFAOYSA-N 320.370 2.889 0 50 DFAA Cc1ccc(C)c([C@@H]2CCCN2CCN2C(=O)CCC2=O)c1 134873948 VJWACMFKHYBRTA-INIZCTEOSA-N 300.402 2.589 0 50 DFAA COc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 59740495 XLHYMIHWZFPJSQ-ZDUSSCGKSA-N 318.417 2.918 0 50 DFAA Cc1[nH]c2c(F)cc(F)cc2c1CCN[C@H](C)Cn1cncn1 65380690 JZBFJDZQZHZMSY-SNVBAGLBSA-N 319.359 2.567 0 50 DFAA CCOC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 248954751 BKLGAIXLWFCSAW-FZZIBODNSA-N 315.772 2.850 0 50 DFAA CCc1nc(C)c([C@@H]2CC(=O)Nc3c2cnn3-c2ccccc2)[nH]1 67725945 DUHOPEJNSMQZLH-CYBMUJFWSA-N 321.384 2.940 0 50 DFAA c1ccc([C@H]2CCCN2Cc2ccc(-n3cncn3)cc2)nc1 65532064 ATMMTNRQRQKXNZ-GOSISDBHSA-N 305.385 2.999 0 50 DFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N(C)[C@H](C)c2ccccc2)C1 229639387 MOPLSRGQVGPENY-QLFBSQMISA-N 310.463 2.902 0 50 DFAA COc1ccc(-n2c([C@@H](C)OC(C)C)n[nH]c2=O)cc1Cl 65373480 IXVOLKCVMPSSQN-SECBINFHSA-N 311.769 2.709 0 50 DFAA COc1cc(C(=O)Oc2ccccc2C=O)cc(OC)c1OC 319742 GJEBKHCDXLYAFM-UHFFFAOYSA-N 316.309 2.744 0 50 DFAA CC[C@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1c(C)noc1C 122834200 GSBKBEAXCVXWQQ-ILXRZTDVSA-N 306.406 2.859 0 50 DFAA C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1 4108156 WKAKKENQVYZMLT-LBPRGKRZSA-N 316.382 2.613 0 50 DFAA COc1ccccc1CC(=O)Nc1nnc([C@H]2CCCO2)s1 36366002 CKNAMSMSQJWGRJ-GFCCVEGCSA-N 319.386 2.579 0 50 DFAA O=C(CCc1cc(F)ccc1F)N1CC[C@@H](N2CCCC2)C1 363121980 IROOVONPSLFMNL-OAHLLOKOSA-N 308.372 2.594 0 50 DFAA O=C(c1cnc2ccccc2n1)N1CC[C@@H](Cc2ccncc2)C1 363718819 NTOKDCOXQWGUJV-HNNXBMFYSA-N 318.380 2.730 0 50 DFAA COc1ccccc1-c1nc(CN2CCC[C@H]2C(=O)O)cs1 237353243 DFLGVAUDVNWCDQ-ZDUSSCGKSA-N 318.398 2.868 0 50 DFAA Cc1cc(CN2CCCC[C@H]2COC(=O)N2CCCCC2)no1 367626540 OWLGRQTWSLNRSD-INIZCTEOSA-N 321.421 2.960 0 50 DFAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)Nc1c[nH]nc1-c1nccs1 334054215 TYBMCEHAAOEXKJ-AXFHLTTASA-N 319.434 2.733 0 50 DFAA O=C(O)c1nn2c(c1Cl)N[C@@H](C1CC1)C[C@H]2C(F)(F)F 34928933 YVHBDEDCNAKORF-RITPCOANSA-N 309.675 2.932 0 50 DFAA C[C@H](O)CN1CCN(C/C=C/c2ccc(Cl)cc2)C[C@@H]1C 245768409 RIDVETSYTOBSPB-WCYDHSITSA-N 308.853 2.740 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCCC[C@H]1CCC(=O)O 262171891 QLCZPCQWIJJBPR-LBPRGKRZSA-N 309.337 2.694 0 50 DFAA O[C@]1(c2ccc(F)cc2)CCN(c2ccnc3ccncc23)C1 375039052 MFINDRTXQWDEMJ-GOSISDBHSA-N 309.344 2.867 0 50 DFAA C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1C[C@H]2CC[C@H]1C2 343405806 OARXLEBNRABZDD-ZRNNSCFXSA-N 303.450 2.912 0 50 DFAA Cn1cc(CN2CCCN(CCCc3ccccc3)CC2)cn1 72426518 JJTXIKGNILRGSY-UHFFFAOYSA-N 312.461 2.561 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)CC1 72127225 QNORFMKNDRWAQE-HNNXBMFYSA-N 313.401 2.898 0 50 DFAA CCc1ccc2nc(-c3c(Br)nnn3C)[nH]c2c1 380882228 DCNCXCAIYNLCOC-UHFFFAOYSA-N 306.167 2.683 0 50 DFAA CCc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)[nH]1 220031840 XUGGDLOTXSQGGA-OAHLLOKOSA-N 300.406 2.859 0 50 DFAA Nc1nc(CCCNC(=O)c2ccc3c(c2)CCCC3)cs1 223529751 BMOYWUSWKNNRGN-UHFFFAOYSA-N 315.442 2.967 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)CCCOc2ccccc2)C1 237947156 WGXBLAXWEVOSEH-HNNXBMFYSA-N 319.401 2.949 0 50 DFAA CC[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1nc(C)c[nH]1 91305774 ASXGRKXIEKUJQJ-AWEZNQCLSA-N 309.373 2.989 0 50 DFAA Cn1nc([C@@H](O)c2ccccc2)nc1CCOc1ccccc1 91951748 LZXXYRLAUDRZKA-KRWDZBQOSA-N 309.369 2.518 0 50 DFAA COc1cccc2c1OC[C@H](C(=O)N1Cc3ccccc3C1)C2 91434981 WSCVPPQJBHNVQD-MRXNPFEDSA-N 309.365 2.789 0 50 DFAA CN(CCC(=O)NCc1cccs1)C1Cc2ccccc2C1 244652031 GYOIYTKIKQWVKW-UHFFFAOYSA-N 314.454 2.854 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1F 299745195 WLXLEPLQDFDFST-LBPRGKRZSA-N 311.328 2.753 0 50 DFAA CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC(C(=O)O)CC1 299745723 SDNLAHSRAFIPPR-CFVMTHIKSA-N 311.422 2.684 0 50 DFAA COC(=O)c1sccc1NC(=O)Cc1n[nH]c2ccccc12 1940198280 AMUDWGIGBRQMKK-UHFFFAOYSA-N 315.354 2.592 0 50 DFAA CN(CCc1noc(C2CC2)n1)C(=O)c1cc2sccc2[nH]1 299783962 HFWYNNWIKMEXLZ-UHFFFAOYSA-N 316.386 2.805 0 50 DFAA Cc1c(NC(=O)N[C@@H](C)c2nc3c(s2)CCCC3)cnn1C 299798976 WQCHBIWRGDBARJ-VIFPVBQESA-N 319.434 2.947 0 50 DFAA CN(Cc1cccc(-n2cccn2)c1)Cc1n[nH]c2c1CCC2 299784569 PPRIIWCOAONMBN-UHFFFAOYSA-N 307.401 2.716 0 50 DFAA COCCn1ccnc1CN(C)CCn1ccc2ccccc21 824466105 HPCMUHRTQFJBOO-UHFFFAOYSA-N 312.417 2.616 0 50 DFAA CCN(Cc1ccccc1)C1CCN(Cc2nonc2C)CC1 670460788 NIRZEXKBPGLIHY-UHFFFAOYSA-N 314.433 2.865 0 50 DFAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccccc1F 952889961 JBJXPPCDBZKEFI-ZDUSSCGKSA-N 317.320 2.614 0 50 DFAA Nc1cc(Cl)ncc1C(=O)N1CC[C@@H](c2ccccc2)C1 1875329421 VFZHEGKIKHQDQE-GFCCVEGCSA-N 301.777 2.947 0 50 DFAA CC1CCC([C@H](N)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 958528243 LJCQFIMMECZVRB-TXBNBULBSA-N 312.454 2.512 0 50 DFAA CCCNC(=O)c1cccc(CN[C@H](C)c2conc2C)c1 888098483 JULQLIISSRKWCI-GFCCVEGCSA-N 301.390 2.974 0 50 DFAA O=C(O[C@H]1C=CS(=O)(=O)C1)C1CCC(c2ccccc2)CC1 888099676 UVETVBVXTXFWKW-GPANFISMSA-N 320.410 2.814 0 50 DFAA CC[C@H](NCc1ccc2c(c1)sc(=O)n2C)[C@H]1CCCO1 170091614 UOSOITNSXJTUMH-GXTWGEPZSA-N 306.431 2.647 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cc(N)nc(Br)c2)CC1 585121367 NJROQDYFOICKAG-SECBINFHSA-N 312.211 2.689 0 50 DFAA CC(C)(O)CC(=O)NCc1ccc(Oc2ccccc2)cn1 585130472 RGPIGOHPPCZILU-UHFFFAOYSA-N 300.358 2.651 0 50 DFAA CN(C)c1noc([C@H]2CCCN(c3nc4ccccc4o3)C2)n1 188549556 UVUNATKZSIHGMC-NSHDSACASA-N 313.361 2.661 0 50 DFAA CC(C)(C)c1nc(Cn2cc(C3CCNCC3)nn2)cs1 404615837 JUFKAPASXBYTLC-UHFFFAOYSA-N 305.451 2.547 0 50 DFAA CC[C@@H]1[C@@H](CO)CCN1C(=O)c1oc(Br)cc1C 408465768 KWJLXLMFTCMWJL-NXEZZACHSA-N 316.195 2.584 0 50 DFAA C[C@@H](c1nccc(N)n1)N1CCc2[nH]c3ccc(F)cc3c2C1 408522569 BJHCSGNEFVPADA-JTQLQIEISA-N 311.364 2.799 0 50 DFAA Cc1ccc([C@@H]2COCCN2Cc2ccc(C(=O)O)c(F)c2)o1 659787632 OBUJASGVDBKOKC-HNNXBMFYSA-N 319.332 2.999 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(OC)cc2)C1 465968 JBZINSGGCVOKJP-KUCQQTCKSA-N 317.385 2.510 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)Cc1ccc2ccccc2c1 1772711219 GCPHGNLTVKRAIE-KSSFIOAISA-N 322.408 2.604 0 50 DFAA CCCN1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 11705850 CVPVPXGBWKCCTP-KRWDZBQOSA-N 321.509 2.774 0 50 DFAA C[C@H]1CN(CCNC(=O)c2cccs2)Cc2ccccc2O1 11787610 YOIGYPIFAXKHTD-ZDUSSCGKSA-N 316.426 2.761 0 50 DFAA COc1c(C)cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C 16577495 DJRPULRNPHWVQW-RYUDHWBXSA-N 311.447 2.979 0 50 DFAA Cc1nc(Nc2nc(=O)c3ccccc3[nH]2)nc2ccccc12 18193432 NTTPCGFCDSVJQW-UHFFFAOYSA-N 303.325 2.918 0 50 DFAA CCOc1ccc2ccccc2c1CNCCN1CCOCC1 19370703 MFVGBRXYUNKGBV-UHFFFAOYSA-N 314.429 2.660 0 50 DFAA Cc1ccc2[nH]c(C)c(CN3C[C@H](C)O[C@@H](C)C3)c(=O)c2c1 19791632 GNGNHFVANSURRE-STQMWFEESA-N 300.402 2.754 0 50 DFAA C[C@@H]1CCCN(C(=O)c2csc(-c3ccoc3)n2)[C@@H]1CN 237454935 AAUCEBHPFATCFT-ZWNOBZJWSA-N 305.403 2.603 0 50 DFAA Cc1nc(N2CCC(n3ccnn3)CC2)c2c(C)csc2n1 128893299 XCAKFUNYBZQFPE-UHFFFAOYSA-N 314.418 2.741 0 50 DFAA Cc1cc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)ccn1 345936469 VMMSQJAWCVJATC-UHFFFAOYSA-N 315.354 2.511 0 50 DFAA CN1CC[C@@H](NC(=O)c2cccc(O)c2)[C@H]1c1ccc(F)cc1 253371038 ZUNOQSLBYKIHNR-IAGOWNOFSA-N 314.360 2.707 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C(C)(C)C)nn2)n[nH]1 162983435 ZHETZUQTGWDQCG-JTQLQIEISA-N 316.409 2.558 0 50 DFAA O=C1CC[C@@H](NC[C@H]2CCN2C2CC2)c2cc(Cl)ccc2N1 2325773828 JGDRNZOEQIVFEX-UKRRQHHQSA-N 319.836 2.940 0 50 DFAA O=C(CC1CCOCC1)N[C@H]1C[C@H](c2ccccc2C(=O)O)C1 2325778053 ZNGTZQBMFICUKP-HDJSIYSDSA-N 317.385 2.564 0 50 DFAA C[C@H](N[C@@H]1CCCC(=O)N(C)C1)c1cccc(-n2cccn2)c1 2325801545 MWDLEXLJXFCEEI-GOEBONIOSA-N 312.417 2.534 0 50 DFAA Cc1ccc([C@H](CN(C)C)NC(=O)c2cn3ccccc3n2)cc1 2325855861 RROHITIJKLBLHR-INIZCTEOSA-N 322.412 2.675 0 50 DFAA CCNC(=O)[C@@H]1CCCN(Cc2ccc3nc(C)ccc3c2)C1 225476911 UHWXYXOAEXTLEB-QGZVFWFLSA-N 311.429 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0 50 DFAA O=C(NC[C@@H]1OCCc2ccccc21)c1onc2c1CCCC2 426477744 NKODZCATIKESNJ-INIZCTEOSA-N 312.369 2.597 0 50 DFAA CCCOc1c(CNc2nc(N)ncc2C)cccc1OC 91848903 MKDMIINJKCXLRC-UHFFFAOYSA-N 302.378 2.777 0 50 DFAA CC(C)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1N(C)C 95376708 UNEJYRQZWOFCTR-FUHWJXTLSA-N 311.429 2.893 0 50 DFAA CCCc1nc(C(=O)N2CCN(Cc3ccco3)CC2)cs1 91475454 VGADJEKVKKQXFB-UHFFFAOYSA-N 319.430 2.647 0 50 DFAA CCCn1cc(C(=O)N(C)Cc2noc(C3CCC3)n2)c(C)n1 91846217 GQUCFYJBOZIEAI-UHFFFAOYSA-N 317.393 2.524 0 50 DFAA COc1ccc2ccccc2c1CN1CCOC[C@@H]1CC(=O)O 97758079 JASLEKQPRWPIJC-AWEZNQCLSA-N 315.369 2.524 0 50 DFAA CC(C)c1nc(CN(C)C(=O)CC2Cc3ccccc3C2)no1 244659432 HCLUUSGIIGYQHB-UHFFFAOYSA-N 313.401 2.957 0 50 DFAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1cc(Cl)cn1C 181806469 VBAHABULQQWYQW-UHFFFAOYSA-N 322.748 2.703 0 50 DFAA Cc1cc(CNC(=O)NCCCSc2ccccc2)n(C)n1 252501308 UDSHTMHNMTZOFH-UHFFFAOYSA-N 318.446 2.710 0 50 DFAA CN(CC[C@H](O)c1ccccc1)CC(=O)NC1CCCCCC1 252509871 YXGRBBDAIXJWDY-SFHVURJKSA-N 318.461 2.881 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 299745466 ZJCYSWCUDXGAHH-CQSZACIVSA-N 313.353 2.812 0 50 DFAA C[C@H]1COCCN1C(=O)c1csc(N(C)c2ccccc2)n1 627569675 BAQQEKPBDSNLGV-LBPRGKRZSA-N 317.414 2.772 0 50 DFAA Cc1cocc1C(=O)N[C@H]1c2sccc2OC(C)(C)[C@@H]1O 627717629 ZYAWVEUTOFEJKY-WCQYABFASA-N 307.371 2.653 0 50 DFAA CC(=O)N[C@@H](CC(C)C)C(=O)N1Cc2ccccc2C2(CC2)C1 184618935 XRXHZSHRPOJSIP-KRWDZBQOSA-N 314.429 2.611 0 50 DFAA COCCN(Cc1ccc(OC)c(F)c1)Cc1nccs1 824405409 DCAWMDYSMSEFIS-UHFFFAOYSA-N 310.394 2.939 0 50 DFAA CCc1noc(CN(CC)C(=O)N[C@@H](CC)c2nccs2)n1 584887774 POOTWADBCRSPTH-JTQLQIEISA-N 323.422 2.771 0 50 DFAA O=C(O)c1ccc(F)c2c1CN(C(=O)[C@@]13CCC[C@H]1C3)CC2 630242297 ZJGIRSIIAKHJEQ-DYZYQPBXSA-N 303.333 2.599 0 50 DFAA C[C@@H](Oc1ccc(Cl)cc1CO)C(=O)N(C)Cc1ccco1 1875316858 JOWWLXJLLLMXJZ-LLVKDONJSA-N 323.776 2.851 0 50 DFAA CC(C)(C)c1ncc(C(=O)Nc2nc(CC3CC3)ns2)cn1 952852420 MQQDCOPEBKXJMS-UHFFFAOYSA-N 317.418 2.830 0 50 DFAA CC(C)CC(=O)N1CC2(CCN(C(=O)C[C@H]3CC3(C)C)CC2)C1 1875358184 MOSGAZOKTABPNK-HNNXBMFYSA-N 320.477 2.920 0 50 DFAA O=C1CCCCCN1CCC(=O)N1CC[C@@H]1c1cccs1 952870178 WMFDRPLQPCGONH-CYBMUJFWSA-N 306.431 2.814 0 50 DFAA CCOc1ccc(C2=CCN(c3nccn4cnnc34)CC2)cc1 271083459 XVBOXTDUHKNRLA-UHFFFAOYSA-N 321.384 2.817 0 50 DFAA Cc1cc(C)n([C@@H]2CCCN(c3cc(N)ncc3Cl)C2)n1 892386764 ONJYGIIBHOUHRI-GFCCVEGCSA-N 305.813 2.972 0 50 DFAA Cc1c(NC(=O)NC[C@@]2(C)CCOC2)cnn1-c1ccccc1 676445240 QRQDURWPURGADY-QGZVFWFLSA-N 314.389 2.729 0 50 DFAA Cc1cc(CCNC(=O)c2cccnc2S)cc(C)c1O 170605665 AKBWUFKEPIBEKE-UHFFFAOYSA-N 302.399 2.665 0 50 DFAA C[C@H](c1ccccc1)[C@H](CO)NCc1ccc([S@](C)=O)cc1 170657789 RPTDYDVWBQYMLJ-GHNFSYLKSA-N 317.454 2.678 0 50 DFAA CN(C[C@H](O)CC(F)(F)F)C(C)(C)c1ccc2c(c1)OCO2 189626261 KYSYKPJPQIJMDN-LLVKDONJSA-N 319.323 2.896 0 50 DFAA Cc1nc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)co1 644894641 YGPPKEWAEDPRGU-UHFFFAOYSA-N 324.384 2.954 0 50 DFAA Cc1cc(S(=O)(=O)Nc2nnc(C(C)C)o2)cc(C)c1F 195571757 WFNATZCTRUAUPO-UHFFFAOYSA-N 313.354 2.750 0 50 DFAA CCN(C(=O)C1CC(OCc2ccccc2)C1)c1cnn(C)c1 655331805 LUBUUYXHPWGOSJ-UHFFFAOYSA-N 313.401 2.768 0 50 DFAA CC[C@H](Cn1ccnc1)Nc1cc(N2CCCCC2)ncn1 1506422779 DKUPMTBEQKWNDI-CQSZACIVSA-N 300.410 2.554 0 50 DFAA CC[C@H](NC(=O)c1nnc(O)c2ccccc12)c1ccc(C)cn1 1506427504 WKCMCNSEOCINOK-AWEZNQCLSA-N 322.368 2.920 0 50 DFAA CC1(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CCCCC1 1529174171 QDCYDNLJZAALRO-CVEARBPZSA-N 302.418 2.726 0 50 DFAA CC1(C(F)(F)F)CCN(C(=O)[C@H]2CC[C@@H](C3CC3)N2)CC1 1875290547 OTEHHIAYKZNBSX-NWDGAFQWSA-N 304.356 2.708 0 50 DFAA Cc1cn(C)nc1CNc1ccc2c(c1)nc(C)n2[C@@H](C)CO 1620964049 YXWNHTRCRYKXFI-LBPRGKRZSA-N 313.405 2.552 0 50 DFAA Cn1ccc(C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)cc1=O 1772709042 HMNMVJZNAUTCOS-UHFFFAOYSA-N 316.445 2.774 0 50 DFAA O=C(Cn1cccn1)N1CCC[C@H](CCc2ccccc2F)C1 11816599 JCNRJAWSDZWNFR-OAHLLOKOSA-N 315.392 2.894 0 50 DFAA COc1ncncc1NC(=O)N1CCCc2ccccc2CC1 333312398 FBRLLHKXRVGYFA-UHFFFAOYSA-N 312.373 2.508 0 50 DFAA O=c1c2ccccc2nc(-c2cccs2)n1-c1cnccn1 448454 JBUQYPXEBKOGMY-UHFFFAOYSA-N 306.350 2.904 0 50 DFAA CC[C@](C)(CNC(=O)c1coc(C)c1)NC(=O)c1coc(C)c1 225441870 ZJMAULPHUDPFIQ-QGZVFWFLSA-N 318.373 2.818 0 50 DFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC(C)(C)C1=CCCC1 333743934 YNDXMYMPLCDNCX-CQSZACIVSA-N 317.437 2.857 0 50 DFAA Cc1nc([C@@H]2CCN(C(=O)c3ccc(C)c(Cl)c3F)C2)n[nH]1 334131290 UNSSFXNOMUVSQH-SNVBAGLBSA-N 322.771 2.844 0 50 DFAA Cc1cc(C(=O)O)cc(C(=O)NCc2nc(C)c(C)s2)c1 262817614 APRGXXJXSRGRKG-UHFFFAOYSA-N 304.371 2.697 0 50 DFAA CCOC1CC(N(C)c2nnc(-c3ccc(O)cc3)s2)C1 893864532 BOFUKIYPVQGQNZ-UHFFFAOYSA-N 305.403 2.914 0 50 DFAA COc1ccc(OC)c(-n2c(S)nnc2-c2ccncc2)c1 5687658 YPRSDTWIAFEHDO-UHFFFAOYSA-N 314.370 2.635 0 50 DFAA CSCC1(CCNC(=O)c2coc3c2[C@H](O)CCC3)CC1 2325780561 VBXGUZDRRXVYLI-GFCCVEGCSA-N 309.431 2.912 0 50 DFAA CC(C)(C)c1ccc(CN2C[C@H](C(=O)O)OCC23CCC3)cn1 2325788014 HSHYIEVYUYOSFF-CQSZACIVSA-N 318.417 2.587 0 50 DFAA Cc1cccc2c1[C@@H](C)C[C@@H]2NC[C@H]1C[C@H](S(C)(=O)=O)C1 2325807290 OFQIXGUXRHFRHC-YXWQFLTLSA-N 307.459 2.956 0 50 DFAA O=C(O)CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 359193 DIPIWTLLIPHXQU-UHFFFAOYSA-N 318.373 2.552 0 50 DFAA O=C(c1ccc2ccccn12)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356143790 WVVWJIFTUUIKIX-LJQANCHMSA-N 320.396 2.783 0 50 DFAA Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1Cc1ccco1 2662079 MWQXSHOBBPHFKH-UHFFFAOYSA-N 316.386 2.839 0 50 DFAA COc1cccc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)oc12 2707887 LBQSKMGZOMNPFR-RYUDHWBXSA-N 315.369 2.920 0 50 DFAA biogenic CCc1ccc(NC(=O)C(=O)NCc2ccccc2OC)cc1 2964865 SBRZGNVHIDOHFC-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA O=C(Nc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 7609377 PIOHKDSLWCVCMY-UHFFFAOYSA-N 305.337 2.595 0 50 DFAA biogenic OCc1csc(CNc2nc(-c3ccccc3)ns2)n1 225712966 VIWSNYRHLBZSQQ-UHFFFAOYSA-N 304.400 2.766 0 50 DFAA O[C@H](CN1CCCC[C@H]1Cn1cccn1)c1ccc(F)cc1 247791700 OSLVXXCTNXZEKA-DLBZAZTESA-N 303.381 2.610 0 50 DFAA CC[C@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 248007423 CSAUOPZEKPEJGV-WMZOPIPTSA-N 317.477 2.528 0 50 DFAA CCO[C@@H]1C[C@H](N[C@@H]2CCOC[C@H]2C)[C@@H]1Oc1ccccc1 249389780 XWSHRYGKTJMEHH-LHKMKVQPSA-N 305.418 2.626 0 50 DFAA CC[C@@H](NC(=O)c1nnc(O)c2ccccc12)c1ccc(C)cn1 1506427507 WKCMCNSEOCINOK-CQSZACIVSA-N 322.368 2.920 0 50 DFAA CC(C)n1ccnc1CN1CCC(CNC(=O)C(C)(C)C)CC1 67673055 WHGSNCLISOGUCN-UHFFFAOYSA-N 320.481 2.838 0 50 DFAA Cc1ccccc1-c1noc(CN[C@@H]2c3ccccc3C[C@@H]2O)n1 65506226 JUZACMWXVIWJLJ-FUHWJXTLSA-N 321.380 2.793 0 50 DFAA COc1cccc(C)c1N1C(=O)[C@H](CC(F)(F)F)N=C1O 328595173 MXBKCWLKXDVWDY-QMMMGPOBSA-N 302.252 2.585 0 50 DFAA Cc1nc(C)c(CN(Cc2cccnc2)C[C@@H]2CCNC2)s1 328625611 DIQLRIAMNQLKMA-MRXNPFEDSA-N 316.474 2.767 0 50 DFAA CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCCC23CCCC3)C1 361197612 IKMDLFPSOKGPLD-HZPDHXFCSA-N 306.450 2.864 0 50 DFAA OCC1(C[C@@H]2CCCCO2)CCN(Cc2cccnc2)CC1 12318366 VPBQTJLZWZKPNN-KRWDZBQOSA-N 304.434 2.615 0 50 DFAA CC(C)N[C@@H]1CC[C@@H]1NC(=O)CCSCc1ccccc1 72150850 SYFNYBTYKQDGFN-CVEARBPZSA-N 306.475 2.955 0 50 DFAA C[C@@H](CC(=O)N1CCC(c2ccnn2C)CC1)n1cccc1 606385053 GKNLGENDRLFFST-AWEZNQCLSA-N 300.406 2.579 0 50 DFAA C[C@@H](CN1CCN(C)CC1)Nc1ccnc2c(Cl)cccc12 287491548 UEAMBDBJVHXMIN-ZDUSSCGKSA-N 318.852 2.936 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)/C=C(/c2ccccc2)C(F)(F)F)C1 237958127 BGYKTYJQVOBOOV-LCFDYFRESA-N 313.275 2.565 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 238080134 JOWOWNUTCMCXNC-LBPRGKRZSA-N 320.732 2.684 0 50 DFAA Cc1nc(CC(=O)N2CCCC[C@@H]2CCn2cccn2)cs1 72481315 QPLVATHTKXRDHJ-OAHLLOKOSA-N 318.446 2.662 0 50 DFAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2cccs2)cn1 241644298 PPTKENZJXKFUSG-MJBXVCDLSA-N 301.415 2.949 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCSCC(C)(C)O 242048001 VRYBKANDQBZHFT-HZSPNIEDSA-N 314.495 2.853 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)[nH]n1 77297956 ZEERRIJQCFYZSA-LLVKDONJSA-N 310.357 2.734 0 50 DFAA Cc1csc(NC(=O)c2csc(NC[C@H]3CCCO3)n2)n1 44918464 LUQRIUWIEWPMKC-SECBINFHSA-N 324.431 2.751 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc(C(=O)O)c2)C1 83264819 SXRIFGDPTJFUDM-ZDUSSCGKSA-N 307.346 2.773 0 50 DFAA Cc1cc(C)n([C@H]2CCN(C(=O)CCOc3ccccc3)C2)n1 223522902 XUJRKYASHHYRHI-INIZCTEOSA-N 313.401 2.742 0 50 DFAA CO[C@@H](C)c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1 426628940 ZHAARENAYCZXIZ-NSHDSACASA-N 306.387 2.828 0 50 DFAA C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)CC(=O)N1 615854993 NCXAAWXESMNBSH-QMMMGPOBSA-N 308.790 2.515 0 50 DFAA Cc1cc(N2CCCN(C(=O)c3ccsc3)CC2)ccn1 82156006 VYJJZFCFDVFJJA-UHFFFAOYSA-N 301.415 2.804 0 50 DFAA CC(C)Nc1ncccc1C(=O)N1CCOC[C@H](C2CCC2)C1 293648737 GSECZUZLRTTZTP-OAHLLOKOSA-N 317.433 2.791 0 50 DFAA COCc1cc(CNC(=O)c2cc3c(s2)CC[C@H](C)C3)n[nH]1 92098156 HDFJXSDVLSGMDP-JTQLQIEISA-N 319.430 2.672 0 50 DFAA CC(C)c1cc(CSc2nnc(C3CCNCC3)n2C)on1 426358698 ZZQYPUUTSAOLAX-UHFFFAOYSA-N 321.450 2.686 0 50 DFAA O=C(O)c1cccc(C(=O)NC[C@@H]2CCOc3ccccc32)c1 238208874 URVJPRANFLGLLY-AWEZNQCLSA-N 311.337 2.681 0 50 DFAA CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(C(C)C)cc1 294442837 RAFRBIKYPQOZCC-SJORKVTESA-N 305.418 2.868 0 50 DFAA Cc1csc(CCCNC(=O)c2onc3c2CCCC3)n1 426734150 RJWMJQRJLKXQCI-UHFFFAOYSA-N 305.403 2.681 0 50 DFAA c1cc(-c2nc([C@@H]3CCOC3)n[nH]2)ccc1-c1noc(C2CC2)n1 97346801 OOHRCVNISXATBO-CYBMUJFWSA-N 323.356 2.903 0 50 DFAA CCc1nc(C)sc1C(=O)NC[C@H]1COc2ccccc2C1 91602411 MGBFFGUDDRGZCF-LBPRGKRZSA-N 316.426 2.995 0 50 DFAA CC[C@@]1(CO)CCCN(Cc2ccc(OC)c(COC)c2)C1 91738210 NGYUDVWDVIDSQS-GOSISDBHSA-N 307.434 2.826 0 50 DFAA COc1ccccc1OCCN1CCC[C@@H](CC(=O)O)CC1 299743820 MLDDCVVRSHGPHV-CQSZACIVSA-N 307.390 2.651 0 50 DFAA Cc1cc(C)c(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)o1 299741246 DBINNNDSWWGCGR-GOEBONIOSA-N 300.358 2.894 0 50 DFAA O=C(NCCC1CCCCC1)NC[C@@H](O)c1cccc(O)c1 534645454 PHBDZIFEBZKXAE-MRXNPFEDSA-N 306.406 2.695 0 50 DFAA Cc1cccnc1[C@@H](C)NC(=O)C1(N2CCCC2)CCCC1 534633530 NXWYANPEYPDLJT-OAHLLOKOSA-N 301.434 2.976 0 50 DFAA Cc1noc(C)c1NC(=O)NC[C@@H]1OCCc2ccccc21 299799637 UZTDTMKGYWWGHP-AWEZNQCLSA-N 301.346 2.727 0 50 DFAA COc1ncc(CN2CCC[C@H]2c2nc3ccccc3[nH]2)cn1 824852114 VPXHUAIPMOZTHH-HNNXBMFYSA-N 309.373 2.699 0 50 DFAA O=C(NCCC[C@@H]1CCOC1)C1(N2CCCC2)CCCCC1 827661340 RKQPCSVIMIXEHE-MRXNPFEDSA-N 308.466 2.718 0 50 DFAA CCc1ncc(C(=O)NC2(CN3CCCC3)CCCCC2)cn1 584888994 NTJBTKJVVUONHY-UHFFFAOYSA-N 316.449 2.568 0 50 DFAA CC(C)(C(=O)NCCN1CCCc2ccccc21)n1cccc1 670458258 ZNKXCMSIORISNI-UHFFFAOYSA-N 311.429 2.792 0 50 DFAA CC(C)Oc1ccc(C(=O)NCCCc2csc(N)n2)cc1 670455638 GMFUXNXRIIZGPP-UHFFFAOYSA-N 319.430 2.875 0 50 DFAA CCC1=NO[C@H](C(=O)N2CCC[C@@H](c3cccc(O)c3F)C2)C1 1875299861 YNOHZVSPCQOBNL-ABAIWWIYSA-N 320.364 2.792 0 50 DFAA CCn1nccc1[C@H](C)Nc1cnn(-c2ncccc2F)c1 1875285222 HCDFYDSHUCUMTC-NSHDSACASA-N 300.341 2.796 0 50 DFAA Cc1nc2ccccc2cc1OC[C@@H]1C[N@@]1Cc1cnn(C)c1 1875378928 LCBNQTIBCJBKQZ-KSFYIVLOSA-N 308.385 2.540 0 50 DFAA CCN1CCC2(CC1)C[C@H](O)c1nn(C3CCCC3)cc1O2 1875395470 CNQSRQWUQQAISS-AWEZNQCLSA-N 305.422 2.669 0 50 DFAA CCc1cc(NC(=O)[C@@H]2CC(=O)Nc3ncccc32)ccc1F 1875317973 IJVRZBCHXMBMBY-CYBMUJFWSA-N 313.332 2.848 0 50 DFAA Nc1c(C(=O)N2CCOC[C@H]2CC2CC2)sc2ncccc12 886474196 KXQYAJOQJQNZAA-LLVKDONJSA-N 317.414 2.520 0 50 DFAA O=C1CC[C@@H](NCc2ccc(Cl)cn2)[C@H](c2ccccc2)N1 886147608 XESOYYUFBNEIBC-WBVHZDCISA-N 315.804 2.845 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc3n2CCCC3)C1 887282928 JAXTXXANNVVNEJ-GFCCVEGCSA-N 306.410 2.729 0 50 DFAA O=C(Cc1cn2cc(F)ccc2n1)Nc1cnn(C2CCC2)c1 889049853 LFXXTWULKOVSOY-UHFFFAOYSA-N 313.336 2.576 0 50 DFAA COc1ccnc(N2CCC(c3nc4c(s3)CCC4)CC2)n1 896235461 BHVMJIDUJIKLBE-UHFFFAOYSA-N 316.430 2.814 0 50 DFAA COc1ncc(-c2noc(-c3ccccc3C(C)C)n2)c(N)n1 896326552 PISMWRWNJADCKJ-UHFFFAOYSA-N 311.345 2.908 0 50 DFAA Fc1cccnc1NC[C@H]1CC[C@@H](c2n[nH]c(C3CC3)n2)O1 1775957929 SUISUXLXJMDDQL-PWSUYJOCSA-N 303.341 2.548 0 50 DFAA CCN(CC(=O)Nc1cccc(F)c1C)[C@H]1CCCC[C@@H]1O 1565506741 OAQUEXKQXWCLRV-HOTGVXAUSA-N 308.397 2.698 0 50 DFAA CC1(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccc2)C3)CC1 1565526404 JKMUJBVOPPGDAQ-ZBFHGGJFSA-N 312.413 2.550 0 50 DFAA O=C(Nc1cccc(CSC2CCCC2)c1)[C@H]1CNCCO1 170048967 UTVUVZVKZLIZTB-MRXNPFEDSA-N 320.458 2.789 0 50 DFAA COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCCCO2)cc1 170617036 SHWFBZDRACVMFA-LBPRGKRZSA-N 306.362 2.598 0 50 DFAA O=C(Cn1ncc2ccccc21)N1CC[C@@H](Oc2ccccc2)C1 170626976 LGYWUFTYXUMRDR-QGZVFWFLSA-N 321.380 2.716 0 50 DFAA COc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1OC 171513612 RFLRBSUOTODWIC-SYAUCNOPSA-N 315.413 2.963 0 50 DFAA Cc1noc(C)c1CCC(=O)N(C)[C@H](C(=O)O)c1ccccc1 584908020 WWSVVVQQYIBTAI-INIZCTEOSA-N 316.357 2.508 0 50 DFAA C[C@](O)(c1nc(-c2ccncc2Br)no1)C1CC1 585120594 XJJXARYOCDKJHU-GFCCVEGCSA-N 310.151 2.512 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CC[C@@H](O)[C@@H](C)C3)[nH]n2)cc1C 225443664 GTAWUDCPMVDXQQ-SUMWQHHRSA-N 313.401 2.536 0 50 DFAA CN(C)Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 193950123 FZEAMWRSKSGLEX-KZNAEPCWSA-N 300.446 2.795 0 50 DFAA CO[C@@H](C)CS(=O)(=O)N1CCc2c(cccc2C(C)C)C1 195469521 ZUGGGHFOQCMGIE-ZDUSSCGKSA-N 311.447 2.533 0 50 DFAA CCc1ncc(C(=O)N2CC[C@H](C(=O)O)c3ccccc32)s1 669435234 YZJPGECINDRTRE-NSHDSACASA-N 316.382 2.924 0 50 DFAA CN(CC(C)(C)CO)C(=O)c1ccc(Cn2cccc2)cc1 1506399643 IIOKWHIVUHYIFY-UHFFFAOYSA-N 300.402 2.627 0 50 DFAA COc1cc(/C=C/C(=O)Nc2cc(C)on2)cc(OC)c1OC 303847 CJFOLSDEJYREKV-AATRIKPKSA-N 318.329 2.661 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2O)on1 1704347510 NZPMZKBWOGRLOI-BEFAXECRSA-N 323.396 2.567 0 50 DFAA O=C1CC[C@H](COc2cccc(-c3cnc4ccccc4n3)c2)N1 1775982998 GJCASEYZHPKQMI-CQSZACIVSA-N 319.364 2.954 0 50 DFAA Cc1c(C(C)(C)C)s/c(=N/S(=O)(=O)c2ccccc2)n1C 19721132 XYRMLZVYRVONRR-JQIJEIRASA-N 324.471 2.982 0 50 DFAA CCOCCn1nc(CC(C)C)nc1-c1cc(C2CC2)n(C)n1 1857678346 DTQBNGCZMGRWMG-UHFFFAOYSA-N 317.437 2.791 0 50 DFAA CO[C@H](CNC(=O)c1nc2ccccn2c1C)c1cccs1 1857713809 OXCIOGWCAKEGED-GFCCVEGCSA-N 315.398 2.822 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2ccncc2)cc1 119863946 AWZCHFCDFBMYSK-CABCVRRESA-N 318.442 2.903 0 50 DFAA COc1ccc([C@@H](NC(=O)c2cc(F)cc(F)c2)C(=O)O)cc1 346005854 FUWPYAAXWJGWHH-CQSZACIVSA-N 321.279 2.529 0 50 DFAA CSCCNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 588339398 JOAYHCUXWMAZBX-UHFFFAOYSA-N 313.329 2.767 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C1 164668212 RFFQQOBWFOFFNU-LLVKDONJSA-N 322.311 2.916 0 50 DFAA Cc1cc(C(=O)O)cc(C(=O)N[C@H](C)c2cnn(C(C)C)c2)c1 911376885 OZEUSKRYHFITNX-GFCCVEGCSA-N 315.373 2.962 0 50 DFAA CC[C@@H](NC(=O)c1sc2nccn2c1C)c1ncc(C)[nH]1 2325757801 MFURTHABKGANLI-SNVBAGLBSA-N 303.391 2.617 0 50 DFAA C[C@@H]1CN(c2ccnc3c2cnn3C)CC[C@@]12CCCN(C)C2 2325806063 QAUUZUYHYOYRRQ-RDTXWAMCSA-N 313.449 2.527 0 50 DFAA COC(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 67844 BMMOZNUVZHWMAB-UHFFFAOYSA-N 315.325 2.743 0 50 DFAA biogenic COc1ccc(OC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 129854 RMYSGGBJOJXDCH-RYUDHWBXSA-N 307.346 2.533 0 50 DFAA CCOC(=O)c1ccc(NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 609193 ATDFNCVJPVRYBV-VXGBXAGGSA-N 322.430 2.669 0 50 DFAA CCCOc1cc(S(=O)(=O)n2ccnc2)ccc1Cl 6700619 XLQAUEFHVLNMIW-UHFFFAOYSA-N 300.767 2.562 0 50 DFAA CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@@H](C(N)=O)C1 225852774 VUVYXNABTYDBHX-GFCCVEGCSA-N 319.405 2.593 0 50 DFAA CCC(=O)Nc1cccc(OCC(=O)N2CC=C[C@H]2C(C)C)c1 65470009 JLZCWUCCPSXXFZ-INIZCTEOSA-N 316.401 2.837 0 50 DFAA O=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1cncs1 67855539 CCOUVRZPJCTHBX-CYBMUJFWSA-N 319.430 2.768 0 50 DFAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccccc2F)C[C@@H](C)O1 229518532 LMZXRVNJDLHLQK-RBSFLKMASA-N 320.408 2.540 0 50 DFAA C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1C(=O)OC(C)(C)C 425038124 LJIZXCUZKZXWAP-GXTWGEPZSA-N 304.390 2.664 0 50 DFAA Clc1ccc(CN2CCCC[C@H]2CCN2CCOCC2)cn1 67820537 PUDSIVMKGCZKNL-INIZCTEOSA-N 323.868 2.812 0 50 DFAA Cc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1c[nH]cn1 67673970 PFASXKWMMTYPDL-NSHDSACASA-N 311.389 2.907 0 50 DFAA CC1(C)Cc2cc(CN3CCn4c(nnc4C4CC4)C3)ccc2O1 252572037 YVIYTAVODBSNFB-UHFFFAOYSA-N 324.428 2.885 0 50 DFAA O=C(Nc1ccc(C2CC2)nn1)N1CCC(c2ccncc2)CC1 330228226 CJFMLOCCJZIQPV-UHFFFAOYSA-N 323.400 3.161 0 50 DFAA Cc1cnc([C@H](C)NC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)o1 332846078 HEBKQDLPPLESPW-RWMBFGLXSA-N 307.394 2.643 0 50 DFAA CCn1ncnc1CN(C)Cc1cccc(-n2nc(C)cc2C)c1 215284571 KIZITGPVXLLRCH-UHFFFAOYSA-N 324.432 2.733 0 50 DFAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccc2c(c1)CCO2 367447964 JGIWBLPUMPYULZ-MRXNPFEDSA-N 313.401 2.535 0 50 DFAA COc1ccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1F 237440484 LRBFNZIHHMDWDW-SWHYSGLUSA-N 321.348 2.692 0 50 DFAA Cc1cc(C)c(C(=O)N2CCC3(CC2)C[C@@H]3c2nnc(C)o2)o1 371088335 OCXIYZMWLZUDPG-CYBMUJFWSA-N 315.373 2.998 0 50 DFAA Cc1ccc(O[C@H]2COCC[C@H]2NC2Cc3ccccc3C2)cn1 219941058 HKKAGUPOENERBK-UXHICEINSA-N 324.424 2.683 0 50 DFAA Cc1onc(-c2cccnc2)c1C(=O)N1CCSC[C@H](C)C1 376143682 UINBBKDTOALQAP-LLVKDONJSA-N 317.414 2.870 0 50 DFAA CO[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72436641 JFLYWGIRQKPQFJ-INIZCTEOSA-N 305.418 2.641 0 50 DFAA Cn1cc(CCC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1 239667452 BQEIAVOEYHZTII-NVXWUHKLSA-N 315.392 2.944 0 50 DFAA OCCNc1ccc(-c2nc(CCCc3ccccc3)no2)cn1 72417898 UDENKZHNJVZOEG-UHFFFAOYSA-N 324.384 2.711 0 50 DFAA C[C@@H](C(=O)Nc1cccc2c1COC2=O)N(C)Cc1ccccc1 288897267 JCWOEIBZONQENL-ZDUSSCGKSA-N 324.380 2.816 0 50 DFAA O=C(CCn1cncn1)N1Cc2ccccc2-c2ccccc21 612665802 TYFKEMLWLZITPF-UHFFFAOYSA-N 304.353 2.882 0 50 DFAA COc1cc(CN2CCCC[C@@H]2C(=O)O)ccc1OC(C)C 263422906 PKFSCXLZGSQMMR-CQSZACIVSA-N 307.390 2.922 0 50 DFAA CC1(C)Cc2cccc(C(=O)Nc3ncc(CCO)s3)c2O1 614915054 OINCYPUXJGZBOL-UHFFFAOYSA-N 318.398 2.644 0 50 DFAA C[C@@H]1CN(C(=O)NCCc2ccncc2)Cc2ccccc2O1 292498222 GRPNAFBJCLDEBW-CQSZACIVSA-N 311.385 2.617 0 50 DFAA NC(=O)CCC1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95530058 HNLUARSWDFDTTM-INIZCTEOSA-N 316.445 2.605 0 50 DFAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)CCOCC)C1 95502006 WUOZLPIPZATHLH-OAHLLOKOSA-N 307.438 2.816 0 50 DFAA Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccon3)[nH]n2)o1 91908073 QEVFVZZBXKHQPE-JTQLQIEISA-N 300.318 2.799 0 50 DFAA COc1c(F)cc(-c2cn(C3CCNCC3)nn2)cc1Cl 95360028 CXEJEHWXJQFKTA-UHFFFAOYSA-N 310.760 2.671 0 50 DFAA C[C@@H](CNc1nccc(-c2cccnc2)n1)Oc1cccnc1 96179630 VMLLRKZVMZBKPY-ZDUSSCGKSA-N 307.357 2.813 0 50 DFAA O=C1CN(Cc2cccc(-c3cccnc3)c2)[C@@H]2CCCC[C@H]2N1 245568768 VURVNAHODALGTO-RTBURBONSA-N 321.424 2.992 0 50 DFAA Cn1ccnc1C[C@](O)(c1ccccc1)c1ccc2c(c1)OCO2 252480049 BSXKXQLOIVRECZ-IBGZPJMESA-N 322.364 2.627 0 50 DFAA CCc1noc(-c2cc3n(n2)C[C@@H](c2ccc(F)cc2)OC3)n1 263617772 PNWLSEMPXKBOSB-AWEZNQCLSA-N 314.320 2.906 0 50 DFAA CN1CCN(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)CC1 263639632 BASYVECWEWNRJD-UHFFFAOYSA-N 322.718 2.533 0 50 DFAA Cc1nn(C)c2nc3c(c(N)c12)C(=O)C[C@H](c1ccccc1)C3 618257379 WLNVMTVQNOHGHI-GFCCVEGCSA-N 306.369 2.772 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1)N1CCC(O)(c2ccccc2)CC1 185496410 NHWDMMFQYFCUJH-INIZCTEOSA-N 324.424 2.997 0 50 DFAA Cc1c(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)ccn1C 299797493 NDKQZFSSEVRVQP-OAHLLOKOSA-N 303.450 2.860 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)NCc1cccs1)C1CC1 827873040 WPXWHUCMHMDPCX-UHFFFAOYSA-N 318.446 2.973 0 50 DFAA COc1ccccc1CC(=O)NCc1cncc(C(F)(F)F)c1 1875271878 KAVFBZDXCLULNS-UHFFFAOYSA-N 324.302 2.968 0 50 DFAA C[C@@H]1CC2(CCCC2)CN1C(=O)[C@@H](C)n1cc(C2CC2)nn1 1875323485 JTSCJELEQGNPJV-CHWSQXEVSA-N 302.422 2.898 0 50 DFAA CO[C@@H]1CCC[C@@H]1S(=O)(=O)Nc1ccc2scnc2c1 1875362865 WUYHTDUOYFHAPL-YPMHNXCESA-N 312.416 2.606 0 50 DFAA COC[C@@]12C[C@@H](NC(=O)N1CC(C)C)c1cc(OC)ccc1O2 1875319766 QWPNQROCVZVOAM-PBHICJAKSA-N 320.389 2.543 0 50 DFAA O=C(Cc1cn2cc(F)ccc2n1)N1CC[C@@H]1C1CC(F)(F)C1 1875308395 DGYMWWCBBSMHPN-CYBMUJFWSA-N 323.318 2.662 0 50 DFAA C[C@H](C(=O)N1C[C@H]2CC=CC[C@H]2C1)c1nnc(O)c2ccccc12 952980630 QPWJEPCPTHEYQK-MELADBBJSA-N 323.396 2.864 0 50 DFAA Cc1cc(C(=O)NC2(c3ncccn3)CCOCC2)c(C)s1 886936456 ZTHKKLRMAGOIFP-UHFFFAOYSA-N 317.414 2.591 0 50 DFAA CCc1cccc2c(CC(=O)OCc3csnn3)c[nH]c12 1318352771 KESYJQVIAABESC-UHFFFAOYSA-N 301.371 2.868 0 50 DFAA Cn1cc([C@H](NC(=O)N2CCc3ccccc32)C(F)(F)F)cn1 277917342 DWZIXFSGINJSLM-ZDUSSCGKSA-N 324.306 2.796 0 50 DFAA C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)N=c2cc[nH]cc2)C1 631507689 VKJNKEGUIJNARX-SIXLDLHFSA-N 317.433 2.687 0 50 DFAA O=C(c1csc(N2CCCCC2)n1)N1CCCSCC1 585121486 QOZMWQQLDSLSGF-UHFFFAOYSA-N 311.476 2.713 0 50 DFAA COC(=O)c1ccc(NC(=O)Cc2ccsc2)c(N(C)C)c1 190175226 DRYIWYXFGZNJOZ-UHFFFAOYSA-N 318.398 2.782 0 50 DFAA CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H](c1ccccc1)C1CCC1 190538384 UKBIVSGCQMJMHH-CZUORRHYSA-N 317.433 2.694 0 50 DFAA COc1cccc([C@H](CO)Nc2nc3ccc(F)cc3n2C)c1 644862695 VSUGMKKDFPBVMN-HNNXBMFYSA-N 315.348 2.867 0 50 DFAA O=C(NCCC[C@@H]1CCC[C@@H]1O)c1c(F)ccc(F)c1F 195567582 AIWFQJITCNEQBE-CABZTGNLSA-N 301.308 2.775 0 50 DFAA CCOc1ccccc1C(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529117898 CYNGIBSKSFQNIT-NMWPEEMBSA-N 303.402 2.707 0 50 DFAA COCCn1ccc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 1616036000 DKQRWSINUYRYMZ-CYBMUJFWSA-N 309.410 2.644 0 50 DFAA CC(C)CC(=O)N1CCC2(CC1)CNCc1ccccc1O2 1616036691 SBSJAXWGLQLMJK-UHFFFAOYSA-N 302.418 2.576 0 50 DFAA Cc1ccc(Cl)c(OCCN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 1772712836 RFKQNMVDVCLNQI-KBPBESRZSA-N 322.836 2.722 0 50 DFAA Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)cc1 16649206 IQPASWKNUGLCJH-UHFFFAOYSA-N 311.320 2.549 0 50 DFAA CN(C)CCN(C)[C@@H]1CCCN(CCCc2ccccc2)C1 19771208 MFELLWVUFSFTBC-LJQANCHMSA-N 303.494 2.577 0 50 DFAA Cc1ccc(C[C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 19795097 GEBVZVAHBLWQGG-OAHLLOKOSA-N 323.348 2.815 0 50 DFAA CC(=Cc1ccccc1)CN1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 1857532252 DPKBRQTVLWSWDH-KBPBESRZSA-N 312.335 2.686 0 50 DFAA Cc1ccc([C@H]2COCCN2C(=O)N[C@H]2C[C@@H]2C2CCC2)o1 1857532891 YQDACRCNAIJXIT-QLFBSQMISA-N 304.390 2.860 0 50 DFAA C[C@H]1C[C@H](C)CN(CCC(=O)Nc2ccc3c(c2)OCO3)C1 176244 NPBZHIIMIMASKK-STQMWFEESA-N 304.390 2.722 0 50 DFAA Cc1nc(C[C@@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)no1 331725001 MANCCRCFNPPTPY-NSHDSACASA-N 320.780 2.521 0 50 DFAA O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(c2ncc(Cl)cn2)C1 253395591 XUOPIOIFZJAHSR-GXFFZTMASA-N 311.719 2.721 0 50 DFAA CCN1[C@@H](C)CN(CCC(=O)Nc2cccc(F)c2)C[C@H]1C 585116139 IPNUXEBNAFDGJQ-OKILXGFUSA-N 307.413 2.569 0 50 DFAA CCc1noc(C)c1CNC(=O)[C@@]1(c2ccccc2)CCCO1 820580402 ZNDNUBGZHQWYHI-SFHVURJKSA-N 314.385 2.868 0 50 DFAA COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)OCCO3)c1 208122 RSKSQSMKHRXHAP-UHFFFAOYSA-N 315.325 2.727 0 50 DFAA O=C(Nc1ccc(CCO)cc1)c1cccc(Cn2ccnc2)c1 343807593 LVCVLHJBLSVCOV-UHFFFAOYSA-N 321.380 2.719 0 50 DFAA CN(C[C@@H]1CCCO1)c1noc(-c2ccccc2)c1C(=O)O 2356142944 OJPDMYCZGFOJQG-LBPRGKRZSA-N 302.330 2.655 0 50 DFAA COc1ccc(S(=O)(=O)n2ccnc2C)c2ccccc12 2501810 MMTLCJLJGBQAJX-UHFFFAOYSA-N 302.355 2.590 0 50 DFAA Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1 2740785 FXHQYTMYNYBDPH-UHFFFAOYSA-N 309.219 2.794 0 50 DFAA COc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1OC 2869976 RVFDXGHFHFPIEW-UHFFFAOYSA-N 315.369 2.821 0 50 DFAA biogenic,in-vitro CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(F)c1 2950751 CCFZKRXHZCJOTL-UHFFFAOYSA-N 300.289 2.606 0 50 DFAA Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1 4099639 YZRVDCRQYGHZDL-UHFFFAOYSA-N 309.373 2.621 0 50 DFAA CCn1cc(CCN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 225574683 ICGHFXBJXUJYAD-RHSMWYFYSA-N 321.371 2.532 0 50 DFAA CC(C)(C)NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341071 JRUYJTIPYYAIIH-UHFFFAOYSA-N 306.381 2.593 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sc(C)nc1C 249685434 FTCKHEPIPSOXQO-ZIAGYGMSSA-N 307.463 2.849 0 50 DFAA CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843607 FFJJJIZDSXBDGT-ZFWWWQNUSA-N 320.408 2.983 0 50 DFAA Cc1cc2ccccc2n1CCC(=O)NCc1csc(N)n1 63871188 LIPHHRLZRPDODC-UHFFFAOYSA-N 314.414 2.695 0 50 DFAA CCn1nc(C)c(CNC(=O)N2CCn3cccc3[C@H]2C)c1C 67467735 IHWJNLVXSICUTR-CQSZACIVSA-N 315.421 2.608 0 50 DFAA CCOC(=O)c1ccc(I)c(OCC)c1 28278528 IZNVUVRUUNUWMI-UHFFFAOYSA-N 320.126 2.867 0 50 DFAA COc1ccccc1N1CCN(C[C@H](O)C2CCCCC2)CC1 252536193 HVDCVRHWZCCPRZ-SFHVURJKSA-N 318.461 2.758 0 50 DFAA CCN(CC)[C@H](CNC(=O)CN1CCC[C@@H](C)C1)c1ccco1 229706227 HERVYXKBLZHRFF-HZPDHXFCSA-N 321.465 2.511 0 50 DFAA O=C(O)COc1ccccc1CN1CCCC2(CCOCC2)C1 216544078 ACORKVMBLQDTTO-UHFFFAOYSA-N 319.401 2.543 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@H](N2CCCC2)C1 363757020 JTLLDBDUFHEAIC-AWEZNQCLSA-N 315.442 2.997 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C)cn3)C2)nc1 364898154 BNWDZJPIJTXAHN-HNNXBMFYSA-N 310.401 2.949 0 50 DFAA C[C@H](c1ccccn1)N(C)c1cc(N[C@H]2CCCOC2)ncn1 328656397 ZHNPKWJGBRPMFC-KGLIPLIRSA-N 313.405 2.660 0 50 DFAA Cn1ncc(Cl)c1-c1nn2c(C3CCCC3)nnc2s1 71751871 KARJMGOWUUQKIB-UHFFFAOYSA-N 308.798 2.897 0 50 DFAA Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(F)cn3)C2)c1 123378343 YBOYNHNHNHUSQJ-CYBMUJFWSA-N 303.341 2.595 0 50 DFAA CC(C)c1noc([C@@H](C)NC(=O)C2(N3CCCC3)CCCC2)n1 218931033 DIKGYCONXWLKBA-CYBMUJFWSA-N 320.437 2.779 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)O)o1 237243541 CZFOIRDGZXNCDV-LBPRGKRZSA-N 315.325 2.964 0 50 DFAA Cc1ccc(C(C)(C)CNC(=O)N2CC[C@H](C(=O)O)C2)c(C)c1 263347135 GWYBYSVOIUIYJT-AWEZNQCLSA-N 318.417 2.697 0 50 DFAA O=C(NCCCCc1ccc(F)c(F)c1)N[C@H]1CCCOC1 341360099 DQGUMNKQQGNZOO-ZDUSSCGKSA-N 312.360 2.766 0 50 DFAA C[C@H](C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)C1CC1 175309080 UAQVALPXZIULOQ-DOTOQJQBSA-N 300.446 2.713 0 50 DFAA O=C(C1SCCS1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 242191369 XEZRVGFDJPRJFD-ZIAGYGMSSA-N 323.483 2.907 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)N2CCn3cccc3[C@H]2C)C12CCC2 246410824 SAFSZRMCEVPCDH-VNQPRFMTSA-N 317.433 2.922 0 50 DFAA CN(Cc1cccc(O)c1)C(=O)NCCCN(C)C1CCCC1 426433928 BBVHPWYTNHPTDS-UHFFFAOYSA-N 319.449 2.798 0 50 DFAA Cc1cc(C)cc(N(C)S(=O)(=O)c2cn(C(C)C)cn2)c1 179160557 ZUFAPHLVZASLAR-UHFFFAOYSA-N 307.419 2.906 0 50 DFAA CSCc1ccc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)o1 221353802 HAMPRFLZLPJCHF-NSHDSACASA-N 324.446 2.519 0 50 DFAA CCN(CCNC(=O)Cc1c(C)n[nH]c1C)c1cccc(C)c1 97698813 VIPVQYXYDRWQRD-UHFFFAOYSA-N 314.433 2.520 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)NCCOCc1ccc(Cl)cc1 97574984 WXEKJYZPXIXDKY-UHFFFAOYSA-N 321.808 2.555 0 50 DFAA O=C(CCc1cccnc1)NC[C@H]1CCOc2ccccc2C1 95371018 ROWCNSTUZXOART-INIZCTEOSA-N 310.397 2.772 0 50 DFAA COc1cc(C(=O)O)cc(C(=O)N2CCC[C@H](CSC)C2)c1 97773065 HGMXZMCYFCQGQY-NSHDSACASA-N 323.414 2.609 0 50 DFAA Cc1c(Cl)cc(C(=O)N[C@@H](C)Cn2cncn2)cc1Cl 91595914 BODOIZBIWVJFSK-QMMMGPOBSA-N 313.188 2.712 0 50 DFAA O=C(c1cnc(C2OCCO2)s1)N1CCC[C@@H]1c1ccco1 252487660 HZEJXXRUGBKRKL-SNVBAGLBSA-N 320.370 2.759 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)[C@H]4C[C@H](F)CC[C@]43C)[C@H]1CCC2=O 257346062 PZCDECBEYLOJKW-ABWWZWAXSA-N 324.436 2.878 0 50 DFAA Cc1cc2nc(CCC(=O)N3CCSCC3)[nH]c2cc1C 299784023 WDXWLGLIGBZDLM-UHFFFAOYSA-N 303.431 2.688 0 50 DFAA Cc1c(C(=O)NCCOc2ccccc2F)nc2ccccn12 1149277143 RAXBEXAOXVNKAB-UHFFFAOYSA-N 313.332 2.591 0 50 DFAA Cc1cccc(CN(C)CC2(O)CCC3(CC2)OCCO3)c1C 1875271383 UKPSGBHVUKPUJL-UHFFFAOYSA-N 319.445 2.783 0 50 DFAA CNC(=O)[C@H]1CCCCN1c1ccc(C(F)(F)F)c(Cl)n1 952992325 JWGJAUSTSKUNLO-SECBINFHSA-N 321.730 2.859 0 50 DFAA O=C(NCCc1cncnc1)N1CCC[C@@H]1CC1CCCC1 888100091 IVDRNFRACSDUIR-MRXNPFEDSA-N 302.422 2.773 0 50 DFAA CN(C1CC1)S(=O)(=O)c1ccc(NCc2cnsc2)cc1 1434515567 JZPGKWSYCVCLJW-UHFFFAOYSA-N 323.443 2.538 0 50 DFAA CCN(C)C[C@@H]1CCN(c2cncc(OCC3CCCC3)n2)C1 185499504 DAGQXRMMWIJNGS-INIZCTEOSA-N 318.465 2.824 0 50 DFAA O=C(O)c1cnc(C2CCN(C(=O)C3CC=CC3)CC2)s1 630241746 DEXJYYRKHYOXSN-UHFFFAOYSA-N 306.387 2.514 0 50 DFAA CCS(=O)(=O)c1ccccc1NC[C@@H](O)c1cccc(F)c1 276380690 YUVQNHBBTWJSQD-OAHLLOKOSA-N 323.389 2.765 0 50 DFAA CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2COCCO2)o1 169991940 AYOITPMFDYPRCG-ZBFHGGJFSA-N 307.390 2.701 0 50 DFAA CC[C@H](c1nccn1C)N1CCN([C@H](C)c2cccnc2)CC1 170602797 LOOGMONKHPXVAG-NVXWUHKLSA-N 313.449 2.645 0 50 DFAA Cc1cc(C)n(-c2ccc(N(C)Cc3ccc(O)cc3)nn2)n1 170604953 HCLGMXGRKLVJKI-UHFFFAOYSA-N 309.373 2.621 0 50 DFAA Cc1cccc2c1CCN2C(=O)Cc1nnc(O)c2ccccc12 746388190 UCNVLIKMYHCIEG-UHFFFAOYSA-N 319.364 2.776 0 50 DFAA O=C(Nc1ccc2c(c1)CCN2)c1cccn1C1CCNCC1 669509688 NREAWWPXKLCBBL-UHFFFAOYSA-N 310.401 2.633 0 50 DFAA C[C@H](Cc1cncc2ccccc12)C(=O)N(C)c1cnn(C)c1 585083048 HWIWABOTYVSZEB-CYBMUJFWSA-N 308.385 2.810 0 50 DFAA C[C@@H](CC(=O)N[C@@H]1CCCC12OCCO2)Cc1cccc(F)c1 585127805 JPTLCLJBFYAUFB-CZUORRHYSA-N 321.392 2.806 0 50 DFAA Cc1nc(C)n(C2CN(C(=O)CCc3cc(C)sc3C)C2)n1 1615045274 OSZVQEJCJUZIBH-UHFFFAOYSA-N 318.446 2.589 0 50 DFAA CC(C)c1nc(CCNS(=O)(=O)[C@@H]2CC[C@H](C)C2)cs1 1615585821 MAHGYSZLNTUIIV-WCQYABFASA-N 316.492 2.917 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)NCc1[nH]nc2ncccc12 1772819469 UVAHBOMHQZKEFD-ZDUSSCGKSA-N 306.369 2.694 0 50 DFAA CC[C@]12C[C@@H]1CN(C(=O)c1cnc(N)nc1-c1ccccc1)C2 1772814968 GFQDVJAQRWTQJF-FZKQIMNGSA-N 308.385 2.598 0 50 DFAA C[C@H]1CN(C(=O)C(C)(C)Oc2ccc3c(c2)CCC3)C[C@@H](C)O1 13328030 HRISIDQLZSIMGN-OKILXGFUSA-N 317.429 2.969 0 50 DFAA Cc1ccccc1NC(=O)/C=C/C(=O)OCC(F)(F)C(F)F 3001554 DRNSBFCIOLYSIE-VOTSOKGWSA-N 319.254 2.933 0 50 DFAA C[C@]1(O)CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 373838395 YLLRVAOSABLNMC-RDJZCZTQSA-N 324.465 2.815 0 50 DFAA O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@](F)(C(=O)O)C1 262236508 VZQPAVMLTNVVJS-MRXNPFEDSA-N 319.288 2.711 0 50 DFAA O=C(c1ccc(Cl)o1)N(C[C@H]1CCCO1)c1ccnnc1 585126027 LOQAPOOHJHWVPE-LLVKDONJSA-N 307.737 2.549 0 50 DFAA Cn1nc2c(c1C(=O)N(CC(F)(F)F)c1ccccn1)CCC2 902817429 GQQVHOGTNHCYLH-UHFFFAOYSA-N 324.306 2.513 0 50 DFAA Cc1ccc(F)c(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1F 1704300096 VYKHLEXRBREROU-SJLPKXTDSA-N 324.415 2.552 0 50 DFAA Cc1cc2scc(CC(=O)N3CC(C)(C(=O)O)C3)c2s1 910062003 WVUQQPYFNPVWGC-UHFFFAOYSA-N 309.412 2.747 0 50 DFAA C=CC(=O)N(CC)CC(=O)Nc1ccc(C)c(N2CCCC2)c1 913819727 YSOPBFBQKRGKRK-UHFFFAOYSA-N 315.417 2.568 0 50 DFAA CO[C@@]1(C)C[C@H]1NC(=O)c1ncc(C(F)(F)F)cc1Cl 826575788 MJBJPDPRKDMCTE-KCJUWKMLSA-N 308.687 2.661 0 50 DFAA COc1ccc(OCCC(=O)OCc2ccnc(C)c2)cc1 856924655 PCUUYSMOSFHBQG-UHFFFAOYSA-N 301.342 2.911 0 50 DFAA C=CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1OC(C)C 859457110 TXRVVROJPOMNSF-UHFFFAOYSA-N 310.781 2.710 0 50 DFAA C[C@H](c1ccc(-c2n[nH]c(-n3ccnc3)n2)cc1)N1CCCC1 2100544772 JCTPWAAMABGYHD-CYBMUJFWSA-N 308.389 2.814 0 50 DFAA c1ccc([C@H](N=c2ncnc3[nH][nH]cc2-3)c2cccs2)cc1 2325700427 CZPKFVJTVNJVCQ-AWEZNQCLSA-N 307.382 2.989 0 50 DFAA CC(C)[C@@]1(C(=O)O)CCN(C(=O)c2coc3cccc(O)c23)C1 2325762910 ATBUUEMWYHQINV-QGZVFWFLSA-N 317.341 2.711 0 50 DFAA c1cc(-c2nnc3ccc(=N[C@H]4CCC[C@@H]4C4CC4)[nH]n23)ccn1 2325767430 QZFIPHFNIGNQAN-CABCVRRESA-N 320.400 2.599 0 50 DFAA COc1cc2c(NC3C[C@@H]4COC[C@H]4C3)ncnc2cc1F 2325784256 MPUMXTBRGRFKNV-NXEZZACHSA-N 303.337 2.614 0 50 DFAA O=C(c1ccc2c(c1)NCCCN2)N1CC[C@H]2OCCC[C@@H]2C1 2325812143 YKOSZTWKNHDDAE-RHSMWYFYSA-N 315.417 2.555 0 50 DFAA CN(C)CCOC(=O)[C@H]1CC2=C(CCCC2(C)C)C[C@H]1C(=O)O 321841 SQDFUMNRZHDLGQ-KGLIPLIRSA-N 323.433 2.709 0 50 DFAA biogenic C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1 322593 YJPLGJZGWAHNOQ-HOCLYGCPSA-N 308.381 2.917 0 50 DFAA Cc1cc2cccc(C(=O)N3CCC[C@@]34CCCNC4=O)c2o1 2356139889 LQDKMCNRTCLVTC-GOSISDBHSA-N 312.369 2.626 0 50 DFAA Cc1ccc(C(C)(C)C)c(OCCOCCn2cncn2)c1 2843804 XQRNHJQUDGLITA-UHFFFAOYSA-N 303.406 2.980 0 50 DFAA CCn1c(C)nnc1SCC(=O)Nc1cc(F)ccc1C 4999366 MEJONYVXUCFUJK-UHFFFAOYSA-N 308.382 2.785 0 50 DFAA C=CC(=O)Oc1ccc(N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 100518085 RYIDOMDNGFJLOF-CABCVRRESA-N 311.337 2.624 0 50 DFAA CC(=O)NCC1CCN(Cc2cccc(OC(F)F)c2)CC1 50961506 WVSDMJZWPGMMKJ-UHFFFAOYSA-N 312.360 2.636 0 50 DFAA COC(=O)c1ccc(-c2nc(C3CC3)nn2-c2ccccc2)nc1 65395940 IACPFHRWKMWIBX-UHFFFAOYSA-N 320.352 2.993 0 50 DFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCCc1ccc(Cl)cc1 6550742 PYMWQNDCTLNBSJ-ZIAGYGMSSA-N 307.777 2.666 0 50 DFAA COc1ccccc1CNc1nc(N)nc2ccc(C(=O)O)cc12 65385760 BHUQWEQADDQHII-UHFFFAOYSA-N 324.340 2.531 0 50 DFAA Cc1noc([C@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 229295503 GUZUZZPIEDZLJD-JOYOIKCWSA-N 303.366 2.579 0 50 DFAA CC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccnn1C 65465909 VPRZPQVHOKSRTD-INIZCTEOSA-N 323.400 2.546 0 50 DFAA COc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1 20500675 LZEYMYLAFRLRBN-SCLBCKFNSA-N 301.386 2.916 0 50 DFAA OC[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 230099130 NOBONNGYUUDDDU-UJMXGEILSA-N 314.473 2.648 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1cc(Br)ccc1C 122582979 RUQXGUXLUKYIBG-GFCCVEGCSA-N 311.223 2.582 0 50 DFAA Nc1nc(-c2ccc(I)cc2)cs1 349309 CBCNLOOXYGEQQZ-UHFFFAOYSA-N 302.140 2.997 0 50 DFAA biogenic,in-vitro Cc1ccc([C@H](NC[C@@]2(O)CCN(C)C2)c2ccccc2)cc1 358253868 PFMAZALQLQFYQA-UXHICEINSA-N 310.441 2.741 0 50 DFAA COc1cccc(C2=NO[C@@H](C(=O)NCCc3ccccc3)C2)c1 5029548 INMMPRKMFRHZSQ-GOSISDBHSA-N 324.380 2.547 0 50 DFAA biogenic Cn1nncc1C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 253429095 BHTBKZHAOJCIBL-LPQFERQCSA-N 310.401 2.913 0 50 DFAA Cc1cc(C)cc(N2C(N)=NC(N)=N[C@@H]2c2ccccc2F)c1 6785879 HVMDMOSGUIRAPN-HNNXBMFYSA-N 311.364 2.591 0 50 DFAA O=C(NCC1CCN(c2ccncc2)CC1)c1cccs1 70928311 QHUQPMRJHRWFGN-UHFFFAOYSA-N 301.415 2.790 0 50 DFAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 173443046 LLOOTNHGQLFYBF-NSHDSACASA-N 310.401 2.879 0 50 DFAA COCCN1C[C@H](Cc2ccc(OC(F)(F)F)cc2)CC1=O 219313643 PIFPQEQCNUOBNF-GFCCVEGCSA-N 317.307 2.623 0 50 DFAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H](C(N)=O)C3)oc2c1C 15073266 FQDATDZJVWBPDU-CYBMUJFWSA-N 314.385 2.696 0 50 DFAA CC(C)[C@H](NC(=O)N(C)Cc1nc[nH]n1)c1ccccc1Cl 458402178 VHNKSECUAAZUAO-AWEZNQCLSA-N 321.812 2.997 0 50 DFAA CC(C)n1cc([C@@]2(O)CCN(c3ccnc4ccccc34)C2)nn1 284694964 YFXGBSATDAMRGQ-GOSISDBHSA-N 323.400 2.505 0 50 DFAA CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(N)=O)c1 72115695 DXJLLBYCWMFEMX-LBPRGKRZSA-N 312.369 2.754 0 50 DFAA CNC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)no2)C1 237252570 AGRZNHKBKGFIQX-AWEZNQCLSA-N 313.401 2.722 0 50 DFAA Cn1ccnc1CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72447943 SECKZISBQJZGNK-UHFFFAOYSA-N 314.477 2.507 0 50 DFAA COC(CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)OC 239869347 CYNOPTAPTCKEIB-OCCSQVGLSA-N 320.216 2.502 0 50 DFAA COc1cccc(N2CCN(C(=O)C3(C)C[C@@H]4C[C@H]4C3)CC2)c1 338558131 LIFSDRYHHUGDRD-GJZGRUSLSA-N 314.429 2.780 0 50 DFAA CC[C@@H](NC(=O)c1cc(CN(CC)CC)oc1C)C1CC(O)C1 220325668 AUNQYOHGTVMAOK-MQBCKMQZSA-N 322.449 2.709 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cccc(CCC(=O)O)c1 263385030 CMDHIWLNUUXQLQ-GOEBONIOSA-N 305.374 2.703 0 50 DFAA Cc1ncc(C)c(N[C@@H]2COCC[C@@H]2OCc2ccccc2)n1 223553573 LRCCPFSDOZPNNQ-SJORKVTESA-N 313.401 2.880 0 50 DFAA Cc1cc(C)cc(CSCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 223179740 QNRQTQARWKYUKU-PMPSAXMXSA-N 305.443 2.830 0 50 DFAA CC1=C(C(=O)N2CCN(c3ccccc3C)CC2)CCCO1 179192083 ZFFJMHRZVHFXGM-UHFFFAOYSA-N 300.402 2.728 0 50 DFAA Nc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12 41146416 QFEOVZJQPUJAHW-UHFFFAOYSA-N 305.385 2.539 0 50 DFAA O=C(CCc1nc2ccccc2[nH]1)N[C@H]1COC2(CCCC2)C1 223775559 MODJSWKXZDQINU-CYBMUJFWSA-N 313.401 2.713 0 50 DFAA CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@@H](C)[C@H]2CCO)CCO1 618018611 KJPAHYHMWSNIFD-VQHPVUNQSA-N 311.466 2.837 0 50 DFAA CCOC(=O)c1nnsc1NC(=O)Nc1ccc(C)cc1 22064672 QPGZYKKMTGEBPN-UHFFFAOYSA-N 306.347 2.667 0 50 DFAA CC1(C)CN(C(=O)c2cnc(C3OCCO3)s2)[C@H]2CCC[C@@H]21 294903768 VQZMPCWLOWZXKI-QWRGUYRKSA-N 322.430 2.839 0 50 DFAA COCCC[C@H]1CCCN(c2cc(C(=O)NC3CC3)ccn2)C1 96139175 PHQSEIISTIILQT-CQSZACIVSA-N 317.433 2.617 0 50 DFAA O=C(CSc1ccccn1)N[C@H]1COC2(CCCCC2)C1 244708044 KMNXMDNQYCRMSG-CYBMUJFWSA-N 306.431 2.782 0 50 DFAA O[C@@H](CN1CCO[C@@H](c2ccc(Cl)cc2)C1)C(F)(F)F 185194068 DIDPEIOWZKXWQP-NEPJUHHUSA-N 309.715 2.637 0 50 DFAA Cc1cc(CC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)on1 584785372 PPVYNCBWDCQJQX-OAHLLOKOSA-N 316.357 2.722 0 50 DFAA COCc1nc(C2CCN(C(C)=O)CC2)n(C2CCCCC2)n1 670472598 JLARBUGCFPSMSB-UHFFFAOYSA-N 320.437 2.656 0 50 DFAA CN(Cc1nccs1)CC1(N2CCOCC2)CCCCC1 670451131 ZJNBKFPBHAAJOC-UHFFFAOYSA-N 309.479 2.610 0 50 DFAA CC1(C)C[C@H](O)CCN(Cc2cnn(-c3ccccc3F)c2)C1 670441069 LFDAJCQZQYQOFY-OAHLLOKOSA-N 317.408 2.994 0 50 DFAA COc1ccc(C)nc1NCc1nn(C)cc1Br 1158483905 KXLAPQKUOIAIGK-UHFFFAOYSA-N 311.183 2.507 0 50 DFAA C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cnc[nH]1 1875285365 LGLGBKZTCYGYAI-CQSZACIVSA-N 312.417 2.887 0 50 DFAA CCOc1ccnc(NCc2noc(-c3cccs3)n2)n1 952874195 YJOAJTSSGUPEOA-UHFFFAOYSA-N 303.347 2.599 0 50 DFAA Cc1cc(=O)c(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)c[nH]1 952978977 FJDPQPBWZYKKEZ-CYBMUJFWSA-N 302.374 2.963 0 50 DFAA CCn1cc(-c2nnc([C@H]3CCCOC3)o2)c(C(F)(F)F)n1 886084557 IVVLAHZUKZMWGJ-QMMMGPOBSA-N 316.283 2.866 0 50 DFAA O=C(N[C@@H]1CCCC(F)(F)C1)c1c[nH]nc1C1CCOCC1 888076222 JWHZSQHYYXHYIU-LLVKDONJSA-N 313.348 2.611 0 50 DFAA C[C@]1(C2CC2)COCCN1C(=O)c1cnnc(-c2ccccc2)c1 890589385 OEIQTVFXZBLVMB-LJQANCHMSA-N 323.396 2.785 0 50 DFAA O=C(O)[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1C1CC1 1565516635 LNZMSRVZTTVNKF-MSOLQXFVSA-N 314.429 2.698 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H](C)c1cccs1 275370802 PJYWKMBYRXKCMR-OBJOEFQTSA-N 319.430 2.714 0 50 DFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CCO1 276292485 NOBFYKLTXPRQDO-GUYCJALGSA-N 324.384 2.552 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)NC1CCC(O)(c2ccccc2)CC1 277009815 IABAKNXSNQKHPP-BBPFYFEFSA-N 317.429 2.748 0 50 DFAA O=C(Nc1ccc(N2CCCCC2)nc1)c1ncc(F)cc1F 277201382 IYDBYTJIGQKFON-UHFFFAOYSA-N 318.327 2.997 0 50 DFAA O=C(NCc1nnc(C2CC2)o1)[C@@H]1C[C@H]1c1ccc(F)cc1F 186893431 YGFCXSDSNWDWGZ-NWDGAFQWSA-N 319.311 2.645 0 50 DFAA CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCCOC2)CC1 171033571 IGGBXLLVRJSSLA-HNNXBMFYSA-N 302.418 2.540 0 50 DFAA C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)[C@H]1CCCc2sccc21 300205424 UYFUJEIADPYLBV-WZRBSPASSA-N 307.415 2.880 0 50 DFAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CCCC(F)(F)C2)c(C)o1 407947982 JJOWHDWWAGYQDM-SNVBAGLBSA-N 321.345 2.527 0 50 DFAA Cc1ccoc1C(=O)NC[C@](C)(Cc1ccccc1)[C@H](C)O 192062563 HZOQFTWNCPSNPT-KSSFIOAISA-N 301.386 2.948 0 50 DFAA CCCNc1ccc(CNC(=O)Nc2cn(C)nc2C)cc1 192428067 JZRMMTQKPKQKAM-UHFFFAOYSA-N 301.394 2.872 0 50 DFAA CCO[C@@H]1C[C@](NC(=O)c2cc(C)ccc2F)(C(=O)O)C1(C)C 193033960 JLCRPQDTRKPLGJ-DYVFJYSZSA-N 323.364 2.522 0 50 DFAA COc1ccc2c(c1)OCCN([C@H](C(=O)O)c1ccccc1)C2 652446641 PDMSMUDQUMCSAS-KRWDZBQOSA-N 313.353 2.716 0 50 DFAA CSC1(CNC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 195006188 MFGCLTXEQSRMGI-STQMWFEESA-N 308.451 2.562 0 50 DFAA O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC[C@@H](O)CC1 655755862 UMGQATDRIIJNPL-ZBFHGGJFSA-N 306.381 2.760 0 50 DFAA Cc1cccc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)c1Cl 829382225 NCVXQWISXREMGP-QMMMGPOBSA-N 309.671 2.784 0 50 DFAA Cc1nc(N2CCC3(CCNC(=O)CC3)CC2)c2ccccc2n1 1506398351 LLDUEYOHRDDGKU-UHFFFAOYSA-N 324.428 2.825 0 50 DFAA COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Cl 264647 PUKOBXZVPWBXCE-UHFFFAOYSA-N 319.810 2.532 0 50 DFAA Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c1 128835598 METVAQBGSXRFAG-NEPJUHHUSA-N 312.207 2.647 0 50 DFAA Cn1ccc2c(C(=O)N3c4ncccc4N4CC[C@H]3C4)cccc21 1616038811 WAVRDJVXZHSEJR-ZDUSSCGKSA-N 318.380 2.812 0 50 DFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1 5388213 ASGPCXMWSLMBOS-UHFFFAOYSA-N 323.327 2.688 0 50 DFAA Cc1ccoc1C(=O)N1CCO[C@@H](Cc2ccc(F)cc2)C1 12580951 DXSLKYZTQLJGCK-HNNXBMFYSA-N 303.333 2.811 0 50 DFAA Cc1ncsc1C(=O)NCc1c[nH]nc1-c1ccc(F)cc1 19782003 HJRQRFALRYWSPS-UHFFFAOYSA-N 316.361 2.911 0 50 DFAA Cc1sc(CNC(=O)C[C@H]2CCC[C@H](C)C2)nc1C(=O)O 1857531837 OXCFDLLGFBAXMP-ONGXEEELSA-N 310.419 2.982 0 50 DFAA COc1cc(OC)cc(-n2ccnc2-c2cnn3cccnc23)c1 1857685962 BTHRGVICQRPVMU-UHFFFAOYSA-N 321.340 2.599 0 50 DFAA CN1CC[C@@H](C(=O)Nc2nc3c(s2)-c2ccccc2CC3)C1 1875245737 ODPAZSDYQJHAML-GFCCVEGCSA-N 313.426 2.799 0 50 DFAA O=C1C[C@H](c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CN1 1875241687 VYTJAIGPWBRMCX-SFHVURJKSA-N 322.408 2.794 0 50 DFAA CCn1ncc(Cl)c1C(=O)N[C@@H]1CCOc2ccc(F)cc21 621863038 IAGLCOHXTCSYJC-GFCCVEGCSA-N 323.755 2.949 0 50 DFAA Cc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331556782 JDHGEZKOHPWLTE-IAQYHMDHSA-N 307.296 2.814 0 50 DFAA Cc1cccc(S(=O)(=O)NC[C@H]2CCOC3(CCC3)C2)c1 333752043 XWLXQRHQPWJIFP-AWEZNQCLSA-N 309.431 2.623 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F 238067665 BUNXZMMJQRNHRL-RYUDHWBXSA-N 315.291 2.798 0 50 DFAA Cc1csc2c(N[C@H]3CCO[C@@]4(CCOC4)C3)ncnc12 239367121 AHPJLUWRHNKNDL-NHYWBVRUSA-N 305.403 2.750 0 50 DFAA CC1=NO[C@@](C)(C(=O)Nc2ccccc2-c2noc(C)n2)C1 902601788 SJUXHWGRCJQJOX-OAHLLOKOSA-N 300.318 2.538 0 50 DFAA Cc1ccc(Cn2cc(C[C@@](C)(O)c3cccs3)nn2)o1 849143750 ZUGFSKZKMYDZFO-OAHLLOKOSA-N 303.387 2.740 0 50 DFAA CCOc1n[nH]c(NC(=O)c2ccc(F)c(C(F)F)c2)n1 828654179 BRYBMLFQMWSFOG-UHFFFAOYSA-N 300.240 2.532 0 50 DFAA Cc1ccc([C@@H]2COCCN2C(=O)c2cnn(C3CCC3)c2)o1 933040191 GGBMAWQFCQRJIJ-HNNXBMFYSA-N 315.373 2.723 0 50 DFAA CC(C)(C)S(=O)(=O)CCN[C@H]1CCC[C@@H](C(F)(F)F)C1 129871830 TVSUBYVMVWLRGY-MNOVXSKESA-N 315.401 2.910 0 50 DFAA CCCC[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H](C(C)C)O1 2100557144 NYGUGFZULDNNGO-IAGOWNOFSA-N 321.465 2.713 0 50 DFAA Cc1cncc(CCn2cc([C@H]3CC[Si](C)(C)C3)nn2)n1 2325806900 MZGKMQVZWSKFHL-ZDUSSCGKSA-N 301.470 2.815 0 50 DFAA COCC[C@H]1CCCN(C2=NCCN2Cc2ccccc2)C1 2325841750 FMHZSFWEUPVLNX-QGZVFWFLSA-N 301.434 2.607 0 50 DFAA CC(C)(N)c1cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)on1 2325859165 PZQGUNREXIQQNS-UHFFFAOYSA-N 311.345 2.511 0 50 DFAA CCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl 1067832 YSZOPTQDIXZKCY-UHFFFAOYSA-N 303.811 2.960 0 50 DFAA C[C@@]1(O)CCOC2(CCN(c3cnc4ccccc4n3)CC2)C1 2356140522 LSHBZEPVSDFCFZ-QGZVFWFLSA-N 313.401 2.530 0 50 DFAA CC[C@H](C)NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 3909497 OVVGICMXYSBDDG-JTQLQIEISA-N 300.358 2.977 0 50 DFAA CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(N)=O 4838898 MQIWYAQJTDFZMQ-UHFFFAOYSA-N 318.348 2.701 0 50 DFAA Cn1c(SCC(=O)NC2CCCCCC2)nnc1C1CC1 4946871 IQENDEGKFOVBMH-UHFFFAOYSA-N 308.451 2.624 0 50 DFAA O=C(CCc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1CO 344078814 CFQAEKMULCAXHB-CYBMUJFWSA-N 301.308 2.621 0 50 DFAA CCc1nc(C)cn1S(=O)(=O)c1ccc(Cl)c(OC)c1 9061995 SBGFIZYSRZQNRA-UHFFFAOYSA-N 314.794 2.653 0 50 DFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 55051862 RQOHHXHILZMNLH-GDBMZVCRSA-N 322.474 2.669 0 50 DFAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 59740275 NZQQFLHKLPUIQU-HNNXBMFYSA-N 302.418 2.588 0 50 DFAA CO[C@@H](CNCc1nn(C)c(C)c1Cl)Cc1ccccc1 421382122 LYAZODOOFYBUOL-CQSZACIVSA-N 307.825 2.729 0 50 DFAA CN1CCC(Cc2noc(CCc3cccc(F)c3)n2)CC1 67675306 AUDNRYJBGQSGPK-UHFFFAOYSA-N 303.381 2.878 0 50 DFAA COc1ccccc1C(C)(C)NC(=O)Nc1cncnc1OC 135817901 DXDCOHXHCOLFQI-UHFFFAOYSA-N 316.361 2.551 0 50 DFAA Cc1nc(C)c(C(=O)N[C@H](CCC(=O)O)c2ccccc2)o1 139421091 OESLFKYJHYMXCX-CYBMUJFWSA-N 302.330 2.627 0 50 DFAA CC(=O)c1cccc(CN2CCC(CNC(=O)C(C)C)CC2)c1 67789760 NHYRIANCUVWEIF-UHFFFAOYSA-N 316.445 2.873 0 50 DFAA CC(=O)NC[C@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 67974833 MIMCPOXGKUYATM-QGZVFWFLSA-N 304.434 2.822 0 50 DFAA COc1ccc(CCC(=O)NCCc2nc3ccccc3[nH]2)cc1 1429498 FJOBOAJYTQNVDB-UHFFFAOYSA-N 323.396 2.863 0 50 DFAA CCN1CCO[C@@H](CCNC(=O)c2cccc3ccccc23)C1 67676302 JYOVNCOUUMMDHS-INIZCTEOSA-N 312.413 2.680 0 50 DFAA CC1(C)C[C@H](NC(=O)c2n[nH]c3ccc(Cl)cc23)CCO1 283979865 AOLPWXWGYNYNMJ-SNVBAGLBSA-N 307.781 2.904 0 50 DFAA C[C@@H](Nc1cccc2c1OCO2)c1ccc(S(C)(=O)=O)cc1 360816100 NIGZRZTVSUEXMU-LLVKDONJSA-N 319.382 2.992 0 50 DFAA CC1(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 124141126 UNAQEKMKHPTBIT-UHFFFAOYSA-N 314.216 2.837 0 50 DFAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1 284772548 HIBAFEVHSBMPCG-LNLFQRSKSA-N 316.445 2.691 0 50 DFAA CC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 242263282 XXQMTSYSHLNFJN-XMZIXOGTSA-N 311.328 2.828 0 50 DFAA Cc1nc2ccccc2n1C[C@@H]1CCCN1C[C@]1(C)CCNC1 262052510 QJXIXKLUFJQZKM-QFBILLFUSA-N 312.461 2.809 0 50 DFAA CN(Cc1cccnc1N)[C@H]1CCCN(CCc2ccccc2)C1 72135627 USYWDBNSTVXZAT-IBGZPJMESA-N 324.472 2.803 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)N[C@H]3CCc4[nH]ncc4C3)c2c1 77515721 CGTCAKHDMTUAGP-AWEZNQCLSA-N 320.396 2.862 0 50 DFAA O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CCN1 177841747 HHOJITRLHBADRJ-GXTWGEPZSA-N 306.793 2.530 0 50 DFAA COc1cc(C2(C(=O)N3CC[C@@H](CN)C3)CCCC2)ccc1C 178541468 YGLPOMDEDJCTES-HNNXBMFYSA-N 316.445 2.623 0 50 DFAA CNC[C@H]1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)C1 179014028 CWIVYXCWOKPFBQ-JKSUJKDBSA-N 318.461 2.954 0 50 DFAA COC[C@@H](NC(=O)Nc1c(C)cccc1Cl)c1ccnn1C 95528174 OAGVCRWYXCTMGH-GFCCVEGCSA-N 322.796 2.891 0 50 DFAA CN1CCC[C@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 294133146 MJXYUXRHTPLOSV-IBGZPJMESA-N 311.429 2.736 0 50 DFAA CSc1ccccc1NC(=O)N(C)CC1(CO)CCOCC1 96132123 CTNQZCHSEOWKQM-UHFFFAOYSA-N 324.446 2.661 0 50 DFAA Cc1ccccc1Cn1ncnc1CCc1c(C)nn(C)c1C 91486229 CBVPOTMEHIPKMD-UHFFFAOYSA-N 309.417 2.770 0 50 DFAA CNc1cc(C(=O)NCCCN2CCCc3ccccc32)ccn1 97785121 ISWFRJISQKQDHY-UHFFFAOYSA-N 324.428 2.696 0 50 DFAA CCOc1ccccc1CN1CC[C@@](O)(CCOC)[C@H](C)C1 91381921 IUOYHZIQPYNEPO-CRAIPNDOSA-N 307.434 2.695 0 50 DFAA C[C@@H](Cc1cnccn1)N(C)Cc1nc2c(s1)CCCC2 97574906 HRVOQBADMUDPMK-LBPRGKRZSA-N 302.447 2.875 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 299741417 FSKZZWFMSFVZFO-CQSZACIVSA-N 317.385 2.945 0 50 DFAA Cc1n[nH]c([C@@H]2CCCN(Cc3cc(-c4ccncc4)no3)C2)n1 252481205 CIKJMGGTDVKHOW-CQSZACIVSA-N 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1079345 ZPXBXRZFRSINAF-UHFFFAOYSA-N 305.355 2.861 0 50 DFAA Cc1cc(Cl)ccc1NC(=O)CCCN1C(=O)CCC1=O 2866811 LWJVNKHXOOBGOL-UHFFFAOYSA-N 308.765 2.516 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)CCc2nc3ccccc3[nH]2)CC1 2356155739 LKIGTZFOGPSEEF-JOCQHMNTSA-N 301.390 2.569 0 50 DFAA CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 4833744 OSNRQUXYGDWZCE-HNNXBMFYSA-N 318.373 2.666 0 50 DFAA CNC[C@H]1CCN(C(=O)Nc2sc(C)nc2CC(C)C)C1 415278016 ABGXZZPSMCUQAW-GFCCVEGCSA-N 310.467 2.723 0 50 DFAA CC(=O)c1ccc(N2CCN(Cc3ccc(O)cc3)CC2)cc1 55031430 KSTACZYYOMVFTD-UHFFFAOYSA-N 310.397 2.917 0 50 DFAA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)=O)cc1 247566582 RHMCVHVUOZDOGI-SJORKVTESA-N 315.417 2.980 0 50 DFAA C[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(F)cc1F 20251912 MMLYWGSZXCHPOF-VIFPVBQESA-N 322.286 2.861 0 50 DFAA CC[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)CC[C@@]1(C)O 67840496 QYQJQVXOGUBFJH-SCLBCKFNSA-N 315.417 2.505 0 50 DFAA CC(C)C[C@H]1CN(C(=O)CCc2ccccc2O)CC[C@@]1(C)O 67983078 JXWGEJZYBVYITC-QFBILLFUSA-N 319.445 2.970 0 50 DFAA 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COc1ccccc1N1CCN(Cc2cnn(C)c2)CC1(C)C 72170154 AEXBZWPTZGUENQ-UHFFFAOYSA-N 314.433 2.530 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)nc(N)n1 215449596 KYEDFRWHPZPGRS-HNNXBMFYSA-N 310.401 2.777 0 50 DFAA O=C([C@@H]1CCCCN1Cc1cccnc1)N1C[C@@H]2CCC[C@H]2C1 242273473 YCZBDAQPJIYSBP-BZSNNMDCSA-N 313.445 2.695 0 50 DFAA Cc1nc2ccc(NC(=O)Nc3cc([C@H]4C[C@H]4C)n[nH]3)cn2n1 289307434 AFLCEOVSMODANM-KCJUWKMLSA-N 311.349 2.528 0 50 DFAA O=C(Nc1cccc(Cl)c1)c1nnc(C2CCNCC2)s1 47218826 FIOPWLWAIKKXSS-UHFFFAOYSA-N 322.821 2.911 0 50 DFAA COc1cc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)ccc1F 178008960 ZGGDHBRQUIMBKX-GFCCVEGCSA-N 315.300 2.663 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)NCCc2cccc(C)n2)c1 426728137 CAMYOXWRNONJOF-UHFFFAOYSA-N 312.417 2.786 0 50 DFAA NCC1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 237808157 FAXBFBLYTQDSOB-RYUDHWBXSA-N 310.800 2.780 0 50 DFAA Cc1ccc(C(=O)NCC2(Cn3ccnc3)CC2)n1C(F)F 426662631 ZTMYVDGIJBJDHY-UHFFFAOYSA-N 308.332 2.598 0 50 DFAA COc1cc(-c2nc3c([nH]2)CCCNC3=O)ccc1OC(C)C 95523665 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Cc1cccc([C@H](CC(=O)O)NC(=O)[C@H]2Cc3ccccc32)c1 864230181 SKKNIVUBCGOQFX-IRXDYDNUSA-N 309.365 2.967 0 50 DFAA Cc1nc2c(s1)CN(C(=O)C[C@](C)(O)c1ccccc1)CC2 1875319557 HRHGMJOXKXDHND-KRWDZBQOSA-N 316.426 2.634 0 50 DFAA Oc1n[nH]c([C@H]2[C@H](C3CC3)CCN2c2ccncc2Cl)n1 1875400089 QLXHNYLDZLSRDC-JOYOIKCWSA-N 305.769 2.536 0 50 DFAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2 952975228 HYNYZTDPBJCCRJ-AXVVYFOYSA-N 324.424 2.997 0 50 DFAA O=C(NC[C@@H]1CCCN(Cc2ccsc2)C1)c1ccoc1 885939083 QOKKOABUMOXBHB-ZDUSSCGKSA-N 304.415 2.983 0 50 DFAA CCN1CCCC[C@@H]1CNc1ccc2nnc(C(C)(C)C)n2n1 274655281 HTUJGOCBHODWSD-CYBMUJFWSA-N 316.453 2.708 0 50 DFAA CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)c1ccnnc1 186542653 IUCRGFNKZGAMDO-CVEARBPZSA-N 311.385 2.590 0 50 DFAA CCc1ncnc(Sc2nc3nc(C)c(C)c(C)n3n2)c1F 170059237 XDIZEUMCGBQRQM-UHFFFAOYSA-N 318.381 2.692 0 50 DFAA O=C(c1cnns1)N1CCc2cc(-c3ccccc3)oc2C1 170014433 GKHPWXGYRKIHIA-UHFFFAOYSA-N 311.366 2.997 0 50 DFAA CCO[C@H]1C[C@H](NC(=O)Cc2c(C)n[nH]c2C)C12CCCCC2 187132011 ANJRVYXPCSZQBW-HOTGVXAUSA-N 319.449 2.813 0 50 DFAA COC(=O)CCCOC(=O)c1cc(F)ccc1Br 170594011 WDCWRAYXBAMMIV-UHFFFAOYSA-N 319.126 2.698 0 50 DFAA C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2 414051285 JEEWGUYAIZVIDM-WMLDXEAASA-N 314.433 2.910 0 50 DFAA CC[C@@]1(C)CN(C(=O)NCc2ccn(C3CCCC3)n2)CCO1 188219004 QCDOIDWMEGACCM-KRWDZBQOSA-N 320.437 2.709 0 50 DFAA CSCC1(CC(=O)N2CCOc3ccc(O)cc3C2)CC1 598424378 BCBGMEOEGBETFD-UHFFFAOYSA-N 307.415 2.647 0 50 DFAA C[C@H](CCN1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 194053170 GIBJZWWXIXVLPL-LMMKCTJWSA-N 302.462 2.833 0 50 DFAA COc1ccc(C[S@@](=O)CCCc2cn[nH]c2)cc1Cl 194642076 JOHYWSZNFKFEOY-FQEVSTJZSA-N 312.822 2.953 0 50 DFAA C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)c2cccc(F)c2O1 681372861 SQNXSWJQAATBMU-SNVBAGLBSA-N 313.332 2.921 0 50 DFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCSC 1506421584 JPTWMRNQMBUYTF-UHFFFAOYSA-N 323.867 2.688 0 50 DFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccc(C(=O)O)cc3)C[C@H]2C1 1529162084 UQNNAUNUTOJJIQ-USTZCAOPSA-N 316.445 2.935 0 50 DFAA Cc1c(Br)cccc1C(=O)N1CC[C@H](N)C[C@@H]1C 124731808 PHOLRQXTDXRFCX-ONGXEEELSA-N 311.223 2.709 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)c2cnn3cc(C)ccc23)C1 1772709250 IRABJSWUWLEYSD-CQSZACIVSA-N 301.390 2.674 0 50 DFAA Cc1ccc2oc(CN3C[C@@H]4COCC[C@]4(CO)C3)c(C)c2c1 1772701669 MDAWKJIQUWPELB-DNVCBOLYSA-N 315.413 2.880 0 50 DFAA O=C(NCCN1CCCCC1)c1c(F)c(F)c(F)c(F)c1F 16580637 BCHJNKBCDRGQCE-UHFFFAOYSA-N 322.277 2.598 0 50 DFAA C[C@H]1CCC[C@@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 19831424 KUMRTRUSRFZJRG-DLBZAZTESA-N 316.445 2.788 0 50 DFAA O=C1C[C@H](N2CCCCCC2)C(=O)N1c1ccc(Cl)cc1 19879689 YKSPDPUMZMKNEF-AWEZNQCLSA-N 306.793 2.848 0 50 DFAA CCn1ccnc1-c1nccn1Cc1cccc(CN(C)C)c1 1857667118 UACICYZVMUDDBD-UHFFFAOYSA-N 309.417 2.876 0 50 DFAA CC(C)(C)c1ccc2oc(N3CCN4CCOC[C@@H]4C3)nc2c1 1857680384 LVDJGVPEQWMSDG-AWEZNQCLSA-N 315.417 2.646 0 50 DFAA O[C@H]1CCC[C@@H](n2ccnc2-c2ccc3c(c2)OCCO3)C1 1857723617 NVHSXRAHBWZJFL-KGLIPLIRSA-N 300.358 2.797 0 50 DFAA COc1cccc(CN2CCC(Oc3ncccc3C)CC2)n1 225672963 SFEOBPHMOJRZFO-UHFFFAOYSA-N 313.401 2.837 0 50 DFAA Cc1cc(NC(=O)CCc2nc(C(C)C)no2)ccc1C(=O)O 236667158 YNBMKKSYLCDSJM-UHFFFAOYSA-N 317.345 2.771 0 50 DFAA CCn1cc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)c2ccccc21 236944926 XIUHYZGOINYOKX-GOSISDBHSA-N 314.385 2.527 0 50 DFAA Cc1ccc(OCCCC(=O)N2CC[C@@H](N)C[C@H]2C)cc1C 237382810 ZFRAMJCEWXIMIA-HZPDHXFCSA-N 304.434 2.801 0 50 DFAA O=c1c2cc(F)c(F)cc2ncn1C[C@@H](O)CC1CCCC1 242087973 WARDDXWNLWPHOD-NSHDSACASA-N 308.328 2.616 0 50 DFAA O=C(O)CC[C@@H]1Cc2ccccc2N(C(=O)Cc2cccnc2)C1 902822209 SIWLFQLJYWBEGQ-OAHLLOKOSA-N 324.380 2.694 0 50 DFAA c1ccc(-c2nnnn2Cc2nc([C@@H]3CCC[C@H]4C[C@@H]43)no2)cc1 904101465 AWXWRHLMWCXKMJ-MJBXVCDLSA-N 322.372 2.675 0 50 DFAA CCc1cccc2c(C(=O)COC(=O)c3ccn(C)n3)c[nH]c12 2325744000 GFKHZKDWEPVRSJ-UHFFFAOYSA-N 311.341 2.504 0 50 DFAA COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H]3C[C@H](N(C)C)C3)C2)c1 2325784762 HXYCZTKEPSNFBD-GARHLSDISA-N 316.445 2.740 0 50 DFAA O=C(O)C[C@H]1CN(Cc2cccc3[nH]ccc23)CC2(CCC2)O1 2325787201 JELFRHOOIYCYDJ-AWEZNQCLSA-N 314.385 2.766 0 50 DFAA CN(C)Cc1ccc(CNC(=O)c2ccc3[nH]ccc3n2)cc1 2325855767 OAILYFIWNMZKHM-UHFFFAOYSA-N 308.385 2.555 0 50 DFAA COC[C@@H](C)OC(=O)N1Cc2ccc(OC)cc2OC(C)(C)C1 1475404836 YIMOUZYETKLCDZ-GFCCVEGCSA-N 323.389 2.840 0 50 DFAA COc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 617543 SHNQLYXEYRCQIY-UHFFFAOYSA-N 303.701 2.606 0 50 DFAA O=C(NCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 4992222 KRLDXKLSFXNFIZ-UHFFFAOYSA-N 318.323 2.515 0 50 DFAA COC1([C@H](C)NCc2ccc(Cn3cncn3)cc2)CCCC1 421820220 LJYXNMVWUHTOCX-HNNXBMFYSA-N 314.433 2.764 0 50 DFAA COC[C@H](O)Cn1ccnc1-c1ccccc1C(F)(F)F 67847390 WWSOIBGKWAKKCH-SNVBAGLBSA-N 300.280 2.576 0 50 DFAA O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCNCC1 20727490 UTAFPFWPRDPGBH-UHFFFAOYSA-N 319.408 2.735 0 50 DFAA COCc1cccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)c1 315631801 UUGNZFPSJLMELM-UHFFFAOYSA-N 303.289 2.923 0 50 DFAA O=C(c1cnc(C2OCCO2)s1)N1CCC[C@H]1c1ccco1 252487659 HZEJXXRUGBKRKL-JTQLQIEISA-N 320.370 2.759 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ccc2ccc(F)cc2n1 359308834 ZWLFXVKBWVVLOW-USXIJHARSA-N 316.376 2.740 0 50 DFAA Cn1c(Cl)cnc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 282007998 XUTUGJUKOQDMNI-OLZOCXBDSA-N 309.772 2.521 0 50 DFAA Cc1ccc(CN2CC[C@H](CNC(=O)NC(C)C)C2)cc1C 67840433 JZWNAGIBONRYNR-QGZVFWFLSA-N 303.450 2.833 0 50 DFAA NCCCCCCNS(=O)(=O)c1cccc2ccccc12 2169529 FVJRBJIENDRNBE-UHFFFAOYSA-N 306.431 2.637 0 50 DFAA biogenic,in-vitro COc1ccccc1-c1nnc(CS(=O)(=O)C2CCCC2)o1 172867770 YMZLOCMZNHETCD-UHFFFAOYSA-N 322.386 2.603 0 50 DFAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1cccc(O)c1 72407346 MOCGNDFBXODTON-UHFFFAOYSA-N 321.380 2.779 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)NCc2ccccc2)C1 6738337 UPGCBOBIYSBTET-QGZVFWFLSA-N 310.353 2.505 0 50 DFAA CC(C)Cc1ccc(CN2CCN(C(=O)N(C)C)CC2)s1 216424632 GHOXWPFDZSHNQO-UHFFFAOYSA-N 309.479 2.746 0 50 DFAA CC(C)c1nnc2n1CCN(C(=O)c1ccoc1Cl)[C@H]2C 370135032 ZPYAGUHMCUNSTE-VIFPVBQESA-N 308.769 2.865 0 50 DFAA CC(C)CC[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(C)c2c1 133706367 CYRWQYUDYRZRFS-CQSZACIVSA-N 315.417 2.907 0 50 DFAA CCc1noc(CC)c1CC(=O)N1CCCC[C@H](COC)C1 375124239 KGQVTYRDDCYIBJ-ZDUSSCGKSA-N 308.422 2.617 0 50 DFAA C[C@H](N[C@H]1CCc2sc(Cl)cc21)[C@H]1CN(C)CCO1 241124137 JFWUHCKGDDDQLR-ZMLRMANQSA-N 300.855 2.698 0 50 DFAA C[C@@H](C(=O)N(C)c1ccc(OCC(=O)O)cc1)c1cccs1 263158035 VGQOHIDLXZIFSJ-LLVKDONJSA-N 319.382 2.978 0 50 DFAA COc1ccccc1OC1CCN(C(=O)[C@@]2(C)CCCO2)CC1 77471417 YOYWIMVITLVTPQ-GOSISDBHSA-N 319.401 2.634 0 50 DFAA O=C(Cc1cccs1)N1CCC(OC[C@@H]2CCCCO2)CC1 175025631 UHLKPIXMNLQWHM-HNNXBMFYSA-N 323.458 2.867 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 288456199 PSGFMZNXONMKHX-AWEZNQCLSA-N 312.369 2.579 0 50 DFAA O=C(NC1CCCCCCC1)C1CCC(Cn2cnnn2)CC1 40268076 RNKRUZLSCHQBQH-UHFFFAOYSA-N 319.453 2.709 0 50 DFAA Cc1nc(NCCc2c[nH]c3ccccc23)cc([C@H]2CCOC2)n1 426667132 SCQJUSKZHHALNT-HNNXBMFYSA-N 322.412 3.425 0 50 DFAA O=C(CCc1cccnc1)N1CCC(CCn2cccn2)CC1 82107826 VPJSKVXZKYODGP-UHFFFAOYSA-N 312.417 2.540 0 50 DFAA Cc1noc(C)c1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 222731673 JRTDLXCOXZMDEW-UHFFFAOYSA-N 318.377 2.818 0 50 DFAA CC(Cl)(Cl)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 180161927 LGHCDKFIBUZQBN-JTQLQIEISA-N 319.207 2.962 0 50 DFAA CC(C)n1ccnc1[C@@H]1CCCN(c2nc(CO)cs2)C1 95374749 JHAWHJYYVFDEEQ-GFCCVEGCSA-N 306.435 2.797 0 50 DFAA Cc1[nH]cnc1CNc1ncnc2c1Cc1ccccc1OC2 95511298 RJMIRISCQKACPU-UHFFFAOYSA-N 307.357 2.603 0 50 DFAA O=S(=O)(CC(F)(F)F)c1ccc(Br)cc1 90557607 JPYVBAQNXPMHCF-UHFFFAOYSA-N 303.099 2.785 0 50 DFAA Cc1ccc([C@H](C(=O)NCc2cc(C)nc(C)c2)N(C)C)cc1 95366001 YKOFHTAVKIEQBL-GOSISDBHSA-N 311.429 2.926 0 50 DFAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 237486797 ABQSWNCUVLGTNN-PELKAZGASA-N 304.287 2.796 0 50 DFAA O=C1[C@H]2CC[C@H](CN(c3nc4ccccc4o3)C2)N1CC1CC1 92045507 OIMWIWDNBLXBOM-UONOGXRCSA-N 311.385 2.665 0 50 DFAA COCC1(C(=O)N[C@H](c2cccnc2)C(F)(F)F)CCC1 97244128 WIVDHISCZDEKOU-LLVKDONJSA-N 302.296 2.618 0 50 DFAA CCc1cnc(N)nc1N1CCC(Oc2ccc(F)cc2)CC1 91746938 CHTAAJGGPNHRKB-UHFFFAOYSA-N 316.380 2.808 0 50 DFAA COc1c(C)cc(-c2ccc(CS(C)(=O)=O)cn2)cc1C 97823385 OGLNUIADCNGNGF-UHFFFAOYSA-N 305.399 2.919 0 50 DFAA C[C@H]1CN(C(=O)N[C@H](C)c2cccc(O)c2)CCN(C2CC2)C1 297267661 ORFKZVOMZWSUJT-ZIAGYGMSSA-N 317.433 2.579 0 50 DFAA Cc1ccc(CN[C@@H](C(N)=O)[C@@H](C)c2ccccc2)cc1F 625443436 GDFVGEHZBSQRQE-SUMWQHHRSA-N 300.377 2.881 0 50 DFAA CCO[C@H](CCNC(=O)N1CCC(=O)[C@@H](C)C1)C1CCCC1 864094114 FZBQRDBQXZKYFM-XJKSGUPXSA-N 310.438 2.592 0 50 DFAA Cc1cc(Cl)c(C(=O)N2CCC[C@H]2Cn2ccnn2)cc1C 299741141 DADZIRAZMPXXPN-ZDUSSCGKSA-N 318.808 2.853 0 50 DFAA O=C(NC[C@@H]1CCOC1)Nc1ccc(-n2ccnc2)c(Cl)c1 299796808 PTKUOLBVOQRCKO-NSHDSACASA-N 320.780 2.684 0 50 DFAA CCn1nc(Cc2cccs2)nc1CCCN1CCCC1=O 823599632 FWFDPTWRIYBJCF-UHFFFAOYSA-N 318.446 2.505 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](N)c3ccccc3O2)C1 685943874 GAOYLRFKWCYDDW-DYVFJYSZSA-N 304.390 2.849 0 50 DFAA CN(C[C@@H]1COc2ccccc2O1)c1ncnc2ccc(O)cc12 1875333022 VHOMYPBXIVRBOP-CYBMUJFWSA-N 323.352 2.612 0 50 DFAA Cc1cnc(CN2CCCN(c3ncc(Cl)cc3F)CC2)o1 1776008165 HXUNQRUHVYIISY-UHFFFAOYSA-N 324.787 2.883 0 50 DFAA CC(C)C[C@@H](CC(=O)O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 899823006 WAYFKCKTYXTGLO-UONOGXRCSA-N 311.422 2.731 0 50 DFAA CCSCC(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565528867 WSGFGBCUYRFZRW-YALNPMBYSA-N 305.443 2.502 0 50 DFAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1ccc2c(c1)CCC2 275307592 CJFQZOGABTTXLA-ZWKOTPCHSA-N 308.381 2.830 0 50 DFAA O=C(O)[C@H](CNc1ccc(C(F)(F)F)cn1)C1CCOCC1 685940640 QIJMDBCDKICQFJ-LLVKDONJSA-N 318.295 2.640 0 50 DFAA Cc1ncc(CC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)o1 639845007 HZOAKXSBRLNIFY-DYVFJYSZSA-N 314.385 2.823 0 50 DFAA Cc1nscc1C(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1 191405002 QQURFVRCRRNBCU-SECBINFHSA-N 304.371 2.967 0 50 DFAA CC(C)N(CC1CCC1)C(=O)NCc1ccnc(N(C)C)c1 193393065 OZQQDDDYTMHJLV-UHFFFAOYSA-N 304.438 2.868 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCC[C@H](Cn2cncn2)C1 194676968 YVIOJZFICFUOAU-ZDUSSCGKSA-N 318.808 2.792 0 50 DFAA O=C(C[C@@H]1NC(=O)c2ccccc21)NCC1(c2ccccc2)CC1 585131905 JOXCCHNRMIKMQN-KRWDZBQOSA-N 320.392 2.709 0 50 DFAA CCOC(=O)NC(N[C@H](C)CC)(C(F)(F)F)C(F)(F)F 19340339 WJZOXONKGPTCRH-ZCFIWIBFSA-N 310.238 2.942 0 50 DFAA O=C(CCN1CCCO1)N1CCC[C@@H](CCc2ccccc2)C1 12432935 TWBKZPKRICMMHD-SFHVURJKSA-N 316.445 2.885 0 50 DFAA CCCNc1ccc(C(=O)NCc2nc(CC)cs2)cn1 19300384 APOFBFBFXZSLDQ-UHFFFAOYSA-N 304.419 2.852 0 50 DFAA O=C(c1cccnc1)N1CCN(c2ccc3ccccc3n2)CC1 19334164 MMZVZBOXGUZQAS-UHFFFAOYSA-N 318.380 2.592 0 50 DFAA CC(=O)N[C@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl 19607406 UAYQNAITJUZJCZ-LLVKDONJSA-N 309.624 2.951 0 50 DFAA Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c(F)c1 1857527244 TYIUDLXLXIRCAG-MNOVXSKESA-N 317.364 2.809 0 50 DFAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(=O)O 4484413 YXOJQGBDLMCBMY-BMIGLBTASA-N 313.309 2.552 0 50 DFAA COc1cccc(CNC(=O)c2c(Cl)cncc2Cl)n1 339555492 GTVQNHYXCWANDN-UHFFFAOYSA-N 312.156 2.722 0 50 DFAA CC1(C)C[C@@H]1NC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 339946773 LYTCHRYEQRDZEM-INIZCTEOSA-N 319.424 2.842 0 50 DFAA CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)NC(C)=O)o1 155004099 MVFROBRFJCCHMY-IUODEOHRSA-N 306.406 2.810 0 50 DFAA Cc1ccc2cc(CN3CCN(C4CC4)C[C@@H]3C)c(O)nc2c1 2100555143 MMORQFIFIZCMBS-AWEZNQCLSA-N 311.429 2.917 0 50 DFAA NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccsc2)cc1 2325773446 AOCXCTYUNBXEBE-CABCVRRESA-N 314.410 2.799 0 50 DFAA C[C@@H](NCc1ccc(-n2cncn2)cc1)c1cnc2n1CCCC2 2325777682 VCLDLXPVGAYUPY-CQSZACIVSA-N 322.416 2.651 0 50 DFAA Cc1cc(CN2CCC([C@]3(O)C[C@@H](C(=O)O)C3)CC2)ccc1F 2325787131 DECLHBQRRNTDBU-UJKQEGAGSA-N 321.392 2.572 0 50 DFAA CN=c1[nH]c(N2CCNc3ccccc3C2)nc2ccccc12 2325866439 KZYQKTALFLVYGP-UHFFFAOYSA-N 305.385 2.526 0 50 DFAA Cc1ccccc1NC(=O)c1cc(S(N)(=O)=O)ccc1Cl 245737 JDHBSFJTTQQRLR-UHFFFAOYSA-N 324.789 2.548 0 50 DFAA COc1ccc(S(=O)(=O)CCc2nc3ccccc3o2)cc1 258713 ROMWSLZGDUKKHJ-UHFFFAOYSA-N 317.366 2.853 0 50 DFAA COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 342979 AUXHDYMZJNMHKD-UHFFFAOYSA-N 315.369 2.685 0 50 DFAA COc1ccc(OC)c2c(C)cc(N3CCCN(C)CC3)nc12 439005 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2.990 0 50 DFAA CCc1cnc(N)nc1NC[C@H]1CCN(c2ccccc2C)C1 95378202 OQYJOKGCRYUNNO-CQSZACIVSA-N 311.433 2.868 0 50 DFAA Cc1cnn(CCC(=O)N[C@@H]2CCCOc3c(F)cccc32)c1 179898712 KOJQVPQFWCMPIM-OAHLLOKOSA-N 317.364 2.751 0 50 DFAA COc1ccc(C(=O)CCc2nc(-c3cccnc3)nn2C)cc1 95526627 NVBROKMDTPCNDT-UHFFFAOYSA-N 322.368 2.701 0 50 DFAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccnc1F 95512563 DJNMKKPQVWFWPV-UHFFFAOYSA-N 305.357 2.905 0 50 DFAA COc1ccc([C@@H]2CN(c3ccncc3F)C[C@H]2N(C)C)cc1 95352272 IHNJLRJXZHAKBJ-MAUKXSAKSA-N 315.392 2.763 0 50 DFAA O=C1C[C@@H](c2ccccc2Cl)C(=O)N1CCc1ccccn1 96026494 OLRNOSHLXTVBNN-AWEZNQCLSA-N 314.772 2.820 0 50 DFAA CC[C@H](NC(=O)CCCc1ccc(OC)cc1)[C@H]1C[C@H](O)C1 243900967 AXXXFCFMIXCNCP-ZOBUZTSGSA-N 305.418 2.684 0 50 DFAA CN(CC(=O)N1CC[C@@H]1c1ccc(F)cc1)Cc1cccnc1 244678838 ILDHYVHSMSQRQF-QGZVFWFLSA-N 313.376 2.626 0 50 DFAA C[C@H](c1ccccn1)N(C)CCC(=O)NCc1ccccc1F 244817031 STENJXMROOLQBH-CQSZACIVSA-N 315.392 2.920 0 50 DFAA O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1C[C@H]2C=C[C@H]1C2 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CNC(=O)[C@H]1Cc2ccccc2N1Cc1c(C)cc(C)nc1C 639651756 GVVQHLSVZDPANB-GOSISDBHSA-N 309.413 2.684 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc3ccccc3n2)C1 644117280 QRJGUSBJIHDCGT-CJNGLKHVSA-N 322.368 2.560 0 50 DFAA O=c1cc(CO)occ1OCCCOc1cccc(Cl)c1 194651896 WHWYPPJPQCLJRU-UHFFFAOYSA-N 310.733 2.633 0 50 DFAA O=C(NC[C@@H]1CCCNC1)c1cc(F)cc(C(F)(F)F)c1 195542814 VHDVWBKCYAEODQ-SECBINFHSA-N 304.287 2.574 0 50 DFAA OCC[C@H](Nc1cc(N2CCCC2)ncn1)C1CCCCC1 585082477 YAVRIXMNGNNFLV-HNNXBMFYSA-N 304.438 2.820 0 50 DFAA C[C@H](NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1csc(C2CC2)n1 110681433 GXQATFKZXIHFQR-BQKRADJCSA-N 307.419 2.701 0 50 DFAA Brc1c[nH]c2ncc(I)cc12 6643343 GZXKNOUITBDEAF-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA in-vitro COc1nc(NC[C@H](c2sccc2C)N(C)C)ncc1F 1772705841 ARWGTJFERITUBP-LLVKDONJSA-N 310.398 2.709 0 50 DFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CC)C1 12431725 HYDIVJLWOHWZKF-SFHVURJKSA-N 321.392 2.950 0 50 DFAA CCN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CCC1=O 15008400 DSDIBJGXYLPWOF-UHFFFAOYSA-N 302.418 2.679 0 50 DFAA CCCOc1ccc(-n2nnc(C(=O)NC(C)C)c2C)cc1 16624075 SLAMSWIKZRAYFH-UHFFFAOYSA-N 302.378 2.503 0 50 DFAA N=C1NC(=O)/C(=C/c2ccc(F)c(Br)c2)S1 4655814 PYSSMQJETQOXKZ-YWEYNIOJSA-N 301.140 2.727 0 50 DFAA CCOC(=O)c1cccnc1N[C@@H]1CCCc2c1c(C)nn2C 1857687133 OBFQHJZZQZGIHI-CYBMUJFWSA-N 314.389 2.790 0 50 DFAA Cc1cccn(CC(=O)N(c2ccc(F)cc2)C(C)C)c1=O 127266708 IUJSZMBJDRGQOJ-UHFFFAOYSA-N 302.349 2.737 0 50 DFAA NC(=O)[C@@H]1CCCC[C@@H]1NCc1coc(-c2cccc(F)c2)n1 130948377 YXTSMUXFTDYZAK-CABCVRRESA-N 317.364 2.614 0 50 DFAA Cn1ccnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 133694423 UMGQYOREOSZCBV-UHFFFAOYSA-N 318.808 2.922 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C)CC1 19811631 RJYXMUNGDDBXHX-JTQLQIEISA-N 317.216 2.535 0 50 DFAA O=C(Nc1cnc2c(c1)COCC2)N[C@@H]1CCCc2cccnc21 930748471 FJOJVJVYMAXVRW-MRXNPFEDSA-N 324.384 2.748 0 50 DFAA CC(C)c1ccccc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 851607615 PKCMAVISZKPXTO-INIZCTEOSA-N 319.401 2.667 0 50 DFAA CCOC(=O)c1nc(COc2ccc(F)cc2F)ns1 724333475 YFVKCKDHYDWUNM-UHFFFAOYSA-N 300.286 2.572 0 50 DFAA O=C1CN(Cc2cc(O)c3ccsc3c2)[C@H]2CCCC[C@@H]2N1 2325738705 NHDVEIATMMGEPN-KBPBESRZSA-N 316.426 2.850 0 50 DFAA c1ccc(Cc2noc(-c3cc(CC4CCNCC4)on3)n2)cc1 2325771003 LFALTGFTRPPZRI-UHFFFAOYSA-N 324.384 2.858 0 50 DFAA Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCC[C@@H](C(=O)O)C1)C2 2325778144 CYJJZMXBAFSUQZ-IUODEOHRSA-N 302.374 2.664 0 50 DFAA COc1ccc(C2CCN(C(=O)C[C@H]3C=C[C@@H](N)C3)CC2)cc1 2325797801 UXOVGPHMXCPQMG-WMLDXEAASA-N 314.429 2.695 0 50 DFAA COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1 263505 ZLMRUCRAALLRQM-UHFFFAOYSA-N 301.298 2.685 0 50 DFAA O=C(O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 265310 LPGWDTKKKNECGA-UHFFFAOYSA-N 300.339 2.512 0 50 DFAA COc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 454838 LBILMJCZPHNGSJ-UHFFFAOYSA-N 316.382 2.831 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2O)cc1 456856 ZNFQGCMRMPQKKV-UHFFFAOYSA-N 316.382 2.836 0 50 DFAA O=C(CCSCCC(=O)NC1CCCC1)NC1CCCC1 2748054 SMTZUSYKUZIIFD-UHFFFAOYSA-N 312.479 2.617 0 50 DFAA COC(=O)[C@H](NC(=O)C(C)(C)C)C12CC3CC(CC(C3)C1)C2 4031847 PUBDDSXSIWWOBL-RZYZSWTKSA-N 307.434 2.907 0 50 DFAA CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 4731814 FDCFNEZJEVYIBC-ZDUSSCGKSA-N 320.820 2.951 0 50 DFAA Cc1nc(C[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)no1 111213142 WVNHWAQTLAHHRK-CQSZACIVSA-N 313.401 2.768 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 100430399 NETDJVYNLJYFCJ-ZIAGYGMSSA-N 301.342 2.543 0 50 DFAA CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 420819428 LQWKXSUWWSLGJW-KBUPBQIOSA-N 309.454 2.546 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)CCCO1 173373461 KLMIGLZFWAHTSW-HNNXBMFYSA-N 302.418 2.928 0 50 DFAA O=C(Nc1ccccc1OC1CCCC1)N1CCC[C@H]1CO 118539803 VNYYHFLAKZVRNP-ZDUSSCGKSA-N 304.390 2.997 0 50 DFAA CCN(CCCN1CCOCC1)c1nc(C)nc2sccc12 63846688 PGASQIRRXTZSJK-UHFFFAOYSA-N 320.462 2.548 0 50 DFAA C[C@H](CNC(=O)C1(c2ccccc2F)CC1)Oc1cccnc1 65370628 TYKOXKIGLRHPCW-CYBMUJFWSA-N 314.360 2.836 0 50 DFAA Cc1nc([C@@H]2CN(C(=O)C[C@@H]3CCCC(C)(C)C3)CCO2)no1 329518203 DXWHGVWJBZYIDC-KBPBESRZSA-N 321.421 2.884 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cccc2ccccc12)C(=O)O 67908472 HSTMVZMDYCVCGF-MRXNPFEDSA-N 323.352 2.735 0 50 DFAA CCCc1nc(=NCc2cccc(Cn3ccnc3)c2)s[nH]1 359842169 PJVXOARMOWFDDB-UHFFFAOYSA-N 313.430 2.769 0 50 DFAA O=C(Nc1cnn(CC2CC2)c1)N1CCc2ccccc2CC1 253431104 ZIPSQENNGMACEM-UHFFFAOYSA-N 310.401 2.926 0 50 DFAA COC(=O)c1ccc(Cl)c(NC(=O)CC2CCN(C)CC2)c1 71754941 XYJJVFCUKWZALW-UHFFFAOYSA-N 324.808 2.797 0 50 DFAA O=C(Cc1ccsc1)N1CCCC[C@@H]1CCn1ccnc1 77425893 XZOYQLINJJBJMW-OAHLLOKOSA-N 303.431 2.959 0 50 DFAA COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 173508681 PGFVLKDZMHBVHY-QWHCGFSZSA-N 308.426 2.502 0 50 DFAA CCOC(=O)c1cnn(C(=O)OC(C)(C)C)c1C(F)(F)F 8729933 MZCLFOQOMWOWSC-UHFFFAOYSA-N 308.256 2.862 0 50 DFAA CNCc1cccc(NC(=O)c2ccc(-n3cncn3)cc2C)c1 237300040 HRIXXVQJFFOHGO-UHFFFAOYSA-N 321.384 2.547 0 50 DFAA CN(Cc1nccs1)C(=O)CN1CC[C@@H](c2ccccc2)C1 215436248 YQHXEPJTWYTLBK-OAHLLOKOSA-N 315.442 2.591 0 50 DFAA Cn1cc([C@H](NC(=O)c2ccc(C(=O)O)s2)C(C)(C)C)cn1 262453275 WUSPRULQHBKPJE-LBPRGKRZSA-N 321.402 2.697 0 50 DFAA O=C(/C=C/c1cccc2cccnc12)N1CCC[C@](F)(CO)C1 376407027 KHCLACDDCDQCTA-LKGOPFMKSA-N 314.360 2.571 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCC2)cc1 262654824 KJRGCXBOKWQDHK-INIZCTEOSA-N 316.401 2.756 0 50 DFAA O=C(O)C1(Oc2ccccc2)CCN(c2nccs2)CC1 72476725 SREFPCFGQWRZFE-UHFFFAOYSA-N 304.371 2.646 0 50 DFAA CCc1nnc(CN(C(=O)c2csc(C(C)=O)c2)C(C)C)o1 215376350 KZSPFLWFLVZQOL-UHFFFAOYSA-N 321.402 2.947 0 50 DFAA CO/C=C(\NCC(=O)c1ccc(N)cc1)c1ccc(OC)cc1 136952040 JACXTQKTQSLCAN-ATVHPVEESA-N 312.369 2.695 0 50 DFAA C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1C(N)=O 285510452 MSSIBTHFPYIWER-CZUORRHYSA-N 324.380 2.672 0 50 DFAA Cc1cscc1C(=O)NC1CCN(Cc2cccnc2)CC1 175381331 XLVATINZOUKMRK-UHFFFAOYSA-N 315.442 2.846 0 50 DFAA COCC[C@H]1CCCCN(C(=O)c2ccc(C(=O)O)cc2)C1 263579919 VJMSKZRJYMHYNX-CYBMUJFWSA-N 305.374 2.664 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2Cc2ncnn2C(C)C)n[nH]1 289112046 MYUONEDLFYFBCX-ZDUSSCGKSA-N 317.441 2.828 0 50 DFAA CC(C)NC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 20531193 QJVBCTMKNFGQCN-GOSISDBHSA-N 322.408 2.778 0 50 DFAA biogenic COc1ccc(CN(C)c2nnc(-c3ccon3)s2)cc1O 225822875 UANYIRAWVCHTQE-UHFFFAOYSA-N 318.358 2.544 0 50 DFAA C[C@H](CN(C)C)NC(=O)N(C)Cc1cc2ccccc2s1 426423825 XJJFFQFHGXQXLL-GFCCVEGCSA-N 305.447 2.993 0 50 DFAA Cc1cc(C)c2[nH]c(CNCC[C@H]3CCCN3C)cc(=O)c2c1 91782486 KKLCHODRTNBCIQ-MRXNPFEDSA-N 313.445 2.719 0 50 DFAA Cc1cccc(Cn2nc([C@@H]3CCOC3)nc2-c2cn[nH]c2)c1 97578669 LWDXWMLYMSOAAX-CQSZACIVSA-N 309.373 2.529 0 50 DFAA CC[C@H](NC(=O)c1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 426382944 ADZDBOHSTLPLTH-KRWDZBQOSA-N 323.400 2.702 0 50 DFAA O=C(NCc1ncc2c(n1)CCC2)c1cc2c(s1)CCCC2 91689951 QIDOLCRVLQHEKF-UHFFFAOYSA-N 313.426 2.836 0 50 DFAA C[C@H]1CCCN(C(=O)Cc2csc(-c3ccoc3)n2)[C@H]1CN 237628386 CUCDREKJGUARHX-FZMZJTMJSA-N 319.430 2.531 0 50 DFAA CCn1nc(C)c(CCNc2nc3c(s2)c(C)nn3C)c1C 95530843 URUOCOGWOXDGTA-UHFFFAOYSA-N 318.450 2.826 0 50 DFAA CCc1ccnc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 181968825 KXYDEKZJRXFFFU-UHFFFAOYSA-N 324.428 2.685 0 50 DFAA CCCc1cc(C(=O)NCc2ccc(OC)c(F)c2F)[nH]n1 91830781 KVVJMXFSLIKGMY-UHFFFAOYSA-N 309.316 2.579 0 50 DFAA CCc1noc(C)c1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 340328959 HIMBDWILQTWSEZ-UHFFFAOYSA-N 315.373 2.936 0 50 DFAA Cc1nnsc1CN1CCCN(c2ccc(F)cc2)CC1 244873184 WLIGBEHPHZWCDE-UHFFFAOYSA-N 306.410 2.698 0 50 DFAA O[C@]1(c2ccccc2)CCN(Cc2nnc(-c3ccccc3)o2)C1 244724415 MTLYEWGOWJFEPX-LJQANCHMSA-N 321.380 2.830 0 50 DFAA Cc1c(CNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)oc2ccccc12 244788003 QHNNNNFKTDDHHP-TXEJJXNPSA-N 324.384 2.964 0 50 DFAA COc1cccc(C)c1C(=O)N[C@H](C)c1c(C)nn(C)c1C 824792697 TVAAIXYEQVHNCB-LLVKDONJSA-N 301.390 2.845 0 50 DFAA Cc1nc(O)c(Cl)c(N2CCC(CCN3CCCC3)CC2)n1 825269887 LTKYIIVCHBEUJS-UHFFFAOYSA-N 324.856 2.846 0 50 DFAA CCc1ccsc1C(=O)NCc1ccc(CC(=O)O)cc1 630233445 URAUEYAROSTXQR-UHFFFAOYSA-N 303.383 2.868 0 50 DFAA C[C@]1(C(=O)NCCc2c[nH]c3cc(F)cc(F)c23)CCC[C@H]1N 1875292228 AQOXPMWRANLDPF-PBHICJAKSA-N 321.371 2.622 0 50 DFAA COc1ccc2c(=O)n([C@H](C)c3ccc(C(=O)O)cc3)ncc2c1 1875328566 YZCPZOZGRDZOEY-LLVKDONJSA-N 324.336 2.713 0 50 DFAA Cc1cccn2cc(CC(=O)N[C@@H]3CCCc4cccnc43)nc12 885373261 XUXXXFYLIIGWNG-MRXNPFEDSA-N 320.396 2.774 0 50 DFAA COc1ccccc1CCC(=O)N1C[C@H](C)[C@@](O)(C2CCC2)C1 1565525546 WJDUFJUXJKSDFX-IFXJQAMLSA-N 317.429 2.637 0 50 DFAA C[C@H]1CN(C(=O)NCc2cccc(F)c2)CC[C@]1(O)C1CCC1 1565507319 SJXCEJYDUAIDPN-SCLBCKFNSA-N 320.408 2.908 0 50 DFAA C[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(C(=O)O)c1 168907870 DIBDDLNKXOBHBZ-SECBINFHSA-N 302.355 2.601 0 50 DFAA Cc1cc(S(=O)(=O)NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)sc1C 408497518 RLTKYUJRUUSWJU-GRYCIOLGSA-N 313.444 2.606 0 50 DFAA O=C1CCCC[C@H](C(=O)Nc2ccccc2OC(F)(F)F)N1 193742260 AKYFYZXPXIBDPM-SNVBAGLBSA-N 316.279 2.583 0 50 DFAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C1CCC(O)CC1 194396363 AHHFJJPQVWXEEH-ARWYELJZSA-N 316.445 2.795 0 50 DFAA CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc(CC(=O)O)c2)C1 668278461 FEJXTHBIANIVJZ-DZGCQCFKSA-N 305.374 2.848 0 50 DFAA CCCO[C@H]1CCCN(c2nc3cc(C(=O)O)ccc3n2C)C1 1529112870 SWLQUJAGQQMZQL-ZDUSSCGKSA-N 317.389 2.667 0 50 DFAA Cc1n[nH]cc1CN[C@@H](C)c1ncc(Br)s1 130140465 IGFWCUNBRNFAAQ-ZETCQYMHSA-N 301.213 2.788 0 50 DFAA O=C(C[C@H]1SCCNC1=O)Nc1cc(Cl)ccc1Cl 5349066 FHIRCVLMAKVGLQ-SNVBAGLBSA-N 319.213 2.554 0 50 DFAA CCOC(=O)c1c(NC(=O)CN(C)C)sc2c1CCCCC2 5018607 KKJIXFQQVJNBTH-UHFFFAOYSA-N 324.446 2.694 0 50 DFAA CC(C)CN1CCC([C@@H]2CCN(C(=O)c3ccncc3)C2)CC1 12201179 SPMHICRTCWAKIA-GOSISDBHSA-N 315.461 2.912 0 50 DFAA Cc1cccc(OCC(=O)NC2CCN(C(C)C)CC2)c1C 16602295 GLZXHERDFODXRZ-UHFFFAOYSA-N 304.434 2.671 0 50 DFAA COCc1nc2ccccc2n1Cc1noc(-c2ccco2)n1 16943037 DLKVMHPSNPSGDF-UHFFFAOYSA-N 310.313 2.874 0 50 DFAA CC(C)n1c(SCC(=O)Nc2nccs2)nnc1C1CC1 17056653 BTDCAUIFOCRCFL-UHFFFAOYSA-N 323.447 2.924 0 50 DFAA CCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21 19322745 FYZDPCXQOMLROI-UHFFFAOYSA-N 323.440 2.886 0 50 DFAA biogenic CN1CCC2(CC1)OCCc1sc(C(=O)NC(C)(C)C)cc12 1857683533 IPAJHMRPYYKRRN-UHFFFAOYSA-N 322.474 2.770 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2CO)C1 252476899 DMFJLMJYUMWFQC-FQUUOJAGSA-N 300.468 2.511 0 50 DFAA O=C(C[C@@H]1CCCCO1)Nc1ccccc1N1CCCC1=O 152001204 HJSMYLDSPURVPN-ZDUSSCGKSA-N 302.374 2.711 0 50 DFAA COC1(c2ccccc2)CN(C(=O)[C@H](C)c2c(C)n[nH]c2C)C1 376245827 BADAGWNWRDRQCJ-GFCCVEGCSA-N 313.401 2.514 0 50 DFAA Cc1cc(NC(=O)N(C)[C@H]2CCN(C(C)C)C2)cn2ccnc12 931555026 UVMSFKUZPFUDGJ-HNNXBMFYSA-N 315.421 2.589 0 50 DFAA O=C1N(Cc2ccccc2)CCC[C@]12CCCN2Cc1cnc[nH]1 2100536872 CMIBOTOUBHCHPH-IBGZPJMESA-N 324.428 2.567 0 50 DFAA Cc1c(CNCCc2cn(C)nn2)sc2cc(F)ccc12 2325774033 VEJFAYYFQXYHKI-UHFFFAOYSA-N 304.394 2.810 0 50 DFAA C[C@]1(C(=O)O)CCCC[C@H]1NC(=O)c1c(F)ccc2c1OCC2 2325807806 UFRMHNBRBFZXAY-PXAZEXFGSA-N 321.348 2.524 0 50 DFAA NCc1ccc(NC(=O)c2c(C3CC3)nn3ccccc23)cc1 2325856339 LMDQWABHKFDGDB-UHFFFAOYSA-N 306.369 2.923 0 50 DFAA C[C@@H](CCc1n[nH]c2ccccc12)NCc1ccc(C(N)=O)cc1 2325870471 YTMDMGCOFKVYAS-ZDUSSCGKSA-N 322.412 2.773 0 50 DFAA COc1cccc(-c2nn(CN3CCCC3)c(=S)n2C)c1 68306 JHNKOFVWVCNMDW-UHFFFAOYSA-N 304.419 2.680 0 50 DFAA CCOC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 93729 HQWIXUGQLIQJSY-UHFFFAOYSA-N 316.231 2.754 0 50 DFAA COc1ccc2c(c1OC)C(=O)N(c1cccc(F)c1)C2=O 171307 SVJGJRQVPOWFEX-UHFFFAOYSA-N 301.273 2.644 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)NC(=O)N1 194778 NIRYAFJACFZZFX-HNNXBMFYSA-N 300.358 2.800 0 50 DFAA O=C1C[C@@H]([C@H]2CCCO2)C(=O)N1c1cccc(C(F)(F)F)c1 243580 LMGMILKVWAMLBG-NWDGAFQWSA-N 313.275 2.764 0 50 DFAA COc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 270168 ROUDOCUQXBGNCQ-UHFFFAOYSA-N 323.370 2.513 0 50 DFAA COC(=O)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1 440467 XDXACPHIPZCDHA-UHFFFAOYSA-N 307.309 2.669 0 50 DFAA COc1ccc(S(=O)(=O)N2CCCCCC2)cc1Cl 615194 PPTKCOLUJBFQNA-UHFFFAOYSA-N 303.811 2.913 0 50 DFAA COCCSc1nnc(NC(=O)c2cccs2)s1 2865399 XMMNXJOYYFBYRN-UHFFFAOYSA-N 301.418 2.590 0 50 DFAA COCCCNCCOCCOc1c(C)cccc1Cl 2980685 GTBNCACZNSWQDG-UHFFFAOYSA-N 301.814 2.670 0 50 DFAA COc1ccc(CN/C=C2\C(=O)Nc3ccccc32)cc1OC 3877197 MAPNGJKZYXATEI-KAMYIIQDSA-N 310.353 2.787 0 50 DFAA CCn1c(S[C@@H](C)C(=O)O)nc2sc3c(c2c1=O)CCC3 4339195 BWDMSMJXEZXAPE-ZETCQYMHSA-N 324.427 2.532 0 50 DFAA COc1ccc(-c2noc(CN3CCC(C)CC3)n2)cc1OC 4487209 BTEQUXAKJRFJLF-UHFFFAOYSA-N 317.389 2.986 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 6677936 JDWLSMRUKTVWKG-CQSZACIVSA-N 324.380 2.995 0 50 DFAA COc1ccc(-c2c(C)nn3c(=O)c4c([nH]c23)CCCC4)cc1 6682001 AOUFONPXRQVELT-UHFFFAOYSA-N 309.369 2.885 0 50 DFAA CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 6701748 SPXZEZZUJIMKEC-UHFFFAOYSA-N 312.325 2.669 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2cnn3ccccc23)c1 55134107 IUQPDVXNOQQANH-AWEZNQCLSA-N 308.385 2.741 0 50 DFAA CCN1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 55082788 CXLNTCRFLLOZFH-VMPITWQZSA-N 323.234 2.626 0 50 DFAA CCN(C)C1CCN(c2cccc(N3CCCC3=O)c2)CC1 23159034 VECTUEREGHMAPM-UHFFFAOYSA-N 301.434 2.734 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3cccn3-c3ncccn3)C2)n1 65451236 KTJWRQMYCMNJBY-QGZVFWFLSA-N 322.416 2.528 0 50 DFAA Cc1ccc(F)cc1NC(=O)[C@@H](C)NC(=O)c1cccs1 20400174 YOXNWVDSIXPXSD-SNVBAGLBSA-N 306.362 2.953 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)Cc2ccc(O)c(C(=O)O)c2)c1 63882345 QNCRIFXCXLOZML-CYBMUJFWSA-N 314.385 2.857 0 50 DFAA CCCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@H]2C)n1 252668739 FLGLRLVYFCNDTL-HZSPNIEDSA-N 322.453 2.710 0 50 DFAA O=C(NCc1nc(-c2ccccc2F)cs1)c1cc[nH]n1 328587924 JXCPSKMHEJLLNQ-UHFFFAOYSA-N 302.334 2.602 0 50 DFAA O=C(c1ccc[nH]1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 67673043 DEHNIXLREPKALQ-UHFFFAOYSA-N 310.332 2.742 0 50 DFAA OCCCN1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 67712850 DHEKSBPMOAAKGR-UHFFFAOYSA-N 307.397 2.970 0 50 DFAA Cc1ccccc1Cn1nc(C)c(NC(=O)[C@@H]2CCCO2)c1C 1002452 AYCSEZVEZFRPIC-INIZCTEOSA-N 313.401 2.974 0 50 DFAA Cc1cc(O)c(C(C)C)cc1NC(=O)c1nc2ncccn2n1 2808210 UHPMBGGRNZTODF-UHFFFAOYSA-N 311.345 2.514 0 50 DFAA COc1ccc(NC(=O)N2CCC[C@@H](c3cc(C)n[nH]3)C2)cn1 282956554 KDSRDSZETAYHBA-GFCCVEGCSA-N 315.377 2.533 0 50 DFAA O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1 5029963 JHUODAGHIWWATE-SFHVURJKSA-N 324.355 2.904 0 50 DFAA aggregator CCOCCCNC(=O)N(C)Cc1cc(Cl)ccc1OC 74344257 DNHZJTQEHMYYGY-UHFFFAOYSA-N 314.813 2.917 0 50 DFAA O=C1CCc2cc(NCC(=O)N3CCCCCC3)c(F)cc2N1 155785824 UVFHYLUSEQSAOL-UHFFFAOYSA-N 319.380 2.525 0 50 DFAA CCC[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnc(S)o2)cc1 127509716 POWYAEJLOFXWNA-VXGBXAGGSA-N 303.387 2.944 0 50 DFAA COc1ccc([C@H]2CCCN2C(=O)c2ccnc(CN)c2)cc1 261638344 CTQBDJCXGCYXFM-QGZVFWFLSA-N 311.385 2.526 0 50 DFAA Cc1ccc(C2=NS(=O)(=O)N[C@H]2c2ccc(C)cc2)cc1 71772718 FNOHWXWMSPUXPW-HNNXBMFYSA-N 300.383 2.682 0 50 DFAA COc1ccccc1C[C@H](C)CC(=O)N1CC[C@@](C)(C(=O)O)C1 237248633 KNXFQEGNBWAGKK-SCLBCKFNSA-N 319.401 2.587 0 50 DFAA COc1ccc(CN(Cc2ccncc2)C2CC2)cc1C(=O)O 216145098 QYYKAHFDQRCOQK-UHFFFAOYSA-N 312.369 2.953 0 50 DFAA CCCCO[C@@H]1C[C@H](N[C@H]2CCCn3nc(C)nc32)C1(C)C 245889793 MAHBWFURQZQBCM-SOUVJXGZSA-N 306.454 2.995 0 50 DFAA COc1csc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c1 262146673 MVWDDXNPPDAICN-CQSZACIVSA-N 317.366 2.581 0 50 DFAA Cc1ccc(C)c(OCC(=O)N2CCC[C@H](CCC(=O)O)C2)c1 237648238 AKVNICXTIMJKJV-OAHLLOKOSA-N 319.401 2.786 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cn1 237986706 YOBYPBWIHOEIIY-UHFFFAOYSA-N 324.380 2.875 0 50 DFAA CCc1[nH]c2c(CNC(=O)[C@@H]3CCOC3)cc(C)cc2c1C 71760328 DJAKCSVQWMPESJ-CYBMUJFWSA-N 300.402 3.000 0 50 DFAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc[nH]3)C2)c1 77522784 NKYQNEZVMOYUSI-LBPRGKRZSA-N 300.358 2.662 0 50 DFAA COc1ccc2occ(C(=O)N3CCN(C)C[C@H]3C(C)C)c2c1 337648134 JPDRVXRMFMMPTK-INIZCTEOSA-N 316.401 2.854 0 50 DFAA COc1nc(C)cc(C)c1CNC(=O)CSc1ccccn1 223346684 PDSWVNLIMKYZTB-UHFFFAOYSA-N 317.414 2.511 0 50 DFAA COc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C)c1 136306402 NEGQJMBXYFWYQC-LWWSYDQCSA-N 303.358 2.689 0 50 DFAA CC(C)(CNC(=O)N[C@H]1CC12CCNCC2)c1ccc(F)cc1 612970023 KIFZLGGHPRHZIA-HNNXBMFYSA-N 319.424 2.545 0 50 DFAA Cc1ccc(CCNc2ncnc3sc4c(c23)CCNC4)o1 82099748 MNHBZXYUTZHHPW-UHFFFAOYSA-N 314.414 2.893 0 50 DFAA Cc1cc(C)cc(CSCC(=O)N2CCc3[nH]ncc3C2)c1 221304476 DBQHIIQSCZSDHN-UHFFFAOYSA-N 315.442 2.845 0 50 DFAA Cc1ccc(N2C[C@@H](C)N(C(=O)C3CCCC3)CC2=O)cc1 82115156 FUEAPNMPXOYNGH-CQSZACIVSA-N 300.402 2.749 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 220229419 AJPRQQIXEXODQU-UHFFFAOYSA-N 322.412 2.997 0 50 DFAA Cc1ccc(F)cc1CNC(=O)[C@@H]1COc2ccccc2O1 334162751 QVFNQMGPFRYJSY-INIZCTEOSA-N 301.317 2.590 0 50 DFAA Cc1nccnc1CCNCc1cnc(C)n1-c1ccccc1 293065226 SKRUMIFMWWPXIG-UHFFFAOYSA-N 307.401 2.611 0 50 DFAA O=C(NCc1cnn(-c2ccc(F)cc2)c1)N1C[C@H]2CC[C@H]1C2 426555703 XKKVJLLFUDKNAM-LRDDRELGSA-N 314.364 2.705 0 50 DFAA O=C(NCCCCc1ccccn1)c1cn2ccsc2n1 91907703 LHWLNGGFDRMQOA-UHFFFAOYSA-N 300.387 2.544 0 50 DFAA Cc1ccc2c(C)c(C(=O)N3C[C@H](O)[C@@H](OC(C)C)C3)oc2c1 91526297 QAMFVVXILDDRIY-HOCLYGCPSA-N 317.385 2.660 0 50 DFAA CCc1ncc(C(=O)NC2(c3cc(F)ccc3F)CC2)cn1 95355888 PWDSCGGIPOJBGZ-UHFFFAOYSA-N 303.312 2.736 0 50 DFAA C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)CC1CCN(C)CC1 97272427 JNNZQRHTVDAXTE-HNNXBMFYSA-N 317.477 2.532 0 50 DFAA COCCN(Cc1ccccc1F)C(=O)c1csc(C)n1 96165545 XYVFTNOUSJNVAX-UHFFFAOYSA-N 308.378 2.879 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)NCc1ccc2nonc2c1 91321274 UGLBVDWSFHSKNI-CQSZACIVSA-N 307.353 2.959 0 50 DFAA CSc1cccc(CN(C)[C@H](C)C(=O)Nc2nncs2)c1 244646982 GSUDGJFWIRMGFD-SNVBAGLBSA-N 322.459 2.719 0 50 DFAA O=C(Nc1ccc(-c2ncco2)cc1)N[C@H]1CCCC[C@@H]1O 182638006 ZPYFYQNKMWSCKY-KBPBESRZSA-N 301.346 2.767 0 50 DFAA COCCN1C[C@H](Cc2ccnc3c(C)cc(C)cc23)CC1=O 243902114 BGDRXEUAIFFNPQ-OAHLLOKOSA-N 312.413 2.889 0 50 DFAA CCc1n[nH]c2c1CN(C[C@H]1CC(c3ccccc3)=NO1)CC2 244873037 WIZZYNRWNCHSMU-CQSZACIVSA-N 310.401 2.523 0 50 DFAA CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C(=O)NC1CC1 243194185 KBLFBNYPBIHZRL-UHFFFAOYSA-N 302.418 2.728 0 50 DFAA O=C(NCc1cc2ccccc2s1)NCC1(CO)CCC1 345405724 MWYUQMWHGWKNRQ-UHFFFAOYSA-N 304.415 2.863 0 50 DFAA Cc1cccnc1[C@@H](NC(=O)CCCN1CCCC1)C1CC1 534657494 JOOFYHNZINYMRM-SFHVURJKSA-N 301.434 2.833 0 50 DFAA O=C(OCc1ccccc1)N1CC(C(=O)O)(c2ccccc2)C1 261508822 XHGAANLMEGVGMS-UHFFFAOYSA-N 311.337 2.661 0 50 DFAA CCc1nccn1CCCNC(=O)c1cccc2c1NCCC2 823557168 FAQDZRKHPQZRRR-UHFFFAOYSA-N 312.417 2.624 0 50 DFAA OC[C@H](NC1CCN(Cc2ccco2)CC1)c1ccc(F)cc1 584902614 VFWSMTCHXHXGLN-SFHVURJKSA-N 318.392 2.706 0 50 DFAA CNC(=O)Cc1nc(-c2ccccc2)cc(-c2c(C)noc2C)n1 823825704 MYHTUXSRWWCUOJ-UHFFFAOYSA-N 322.368 2.704 0 50 DFAA CN1CCC[C@H]1CNc1nc2c(c(C(F)(F)F)n1)CCCC2 823772840 HVOQBWCJOJPPDY-JTQLQIEISA-N 314.355 2.880 0 50 DFAA C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1(CO)CC1 864094591 ZLUMWLNCEZCODU-AXFHLTTASA-N 308.344 2.568 0 50 DFAA Cc1cccc(C[C@@H](C)NC(=O)Cc2sc(C)nc2C)n1 584902533 DZSSQUHYCMPSFD-LLVKDONJSA-N 303.431 2.753 0 50 DFAA CCO[C@H](CC)CNS(=O)(=O)c1cc(C)c(F)cc1Cl 1506400160 AZTYFVUNOHAGFL-SNVBAGLBSA-N 323.817 2.881 0 50 DFAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1ccc(C2CC2)cc1 1875399603 FDDNBVYYBZEHLA-KFKAGJAMSA-N 311.429 2.690 0 50 DFAA CCc1noc([C@H]2CC[C@@H](NC(=O)C3C4CCC3CC4)C2)n1 1875309133 SNSMYBJSXRQXPF-BCILHVDJSA-N 303.406 2.821 0 50 DFAA O=C(OCCF)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 952994684 GLEUIHVEJYFZCI-UHFFFAOYSA-N 309.263 2.714 0 50 DFAA COCCc1nc(CN2c3ccc(Cl)cc3OC[C@H]2C)no1 1875275285 PANZNEHOROFQIQ-SNVBAGLBSA-N 323.780 2.699 0 50 DFAA CC[C@H](C)n1ncc(NC(=O)c2c(N)nn3ccccc23)c1C 1875284480 VYPAUGDWPGLEAK-JTQLQIEISA-N 312.377 2.645 0 50 DFAA CCCc1nc(CN2C[C@@H](OC)C[C@@H]2c2nnc(C)o2)cs1 1775957751 LCPMJOAYWKLHAR-QWHCGFSZSA-N 322.434 2.749 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 170047833 HGECGAGXBZZBOO-SNVBAGLBSA-N 305.227 2.534 0 50 DFAA Cn1cccc1[C@@H]1CCCCN1C(=O)[C@H]1CCCc2nc[nH]c21 408111490 FHARKMQWRGFUHO-BBRMVZONSA-N 312.417 2.922 0 50 DFAA CC(C)Oc1ccc(N(C)C(=O)[C@@H]2CCn3ccnc3C2)cc1 192263179 JWPHHISNZSAASG-CQSZACIVSA-N 313.401 2.896 0 50 DFAA C[C@H](NC(=O)c1cnn2cccnc12)C1CCC(F)(F)CC1 654256701 GBNPNAKGTLPJAP-JTQLQIEISA-N 308.332 2.673 0 50 DFAA C[C@H](N)[C@@H]1CCN(C(=O)c2ccc(Nc3cccnc3)cc2)C1 659306228 MRUKSWFKDNDADI-DZGCQCFKSA-N 310.401 2.635 0 50 DFAA Cc1nc(C)c(CCNC(=O)c2ncoc2C(F)(F)F)s1 668461512 WGVFPJXVTKWWCJ-UHFFFAOYSA-N 319.308 2.739 0 50 DFAA CS(C)(=O)=Nc1ccccc1NC(=O)N1CCSCC1 585119304 AZTWOYDGIWIXLZ-UHFFFAOYSA-N 313.448 2.626 0 50 DFAA C[C@H]1CC(NC(=O)c2cccc3c2NC(=O)CO3)C[C@H](C)C1 585120886 SYVSNLSNLOWVPM-GHMZBOCLSA-N 302.374 2.572 0 50 DFAA CCCCNC(=O)[C@@H](C)N1CCC(c2ccc(F)cn2)CC1 585116427 UWAIREMSCLFSEC-CYBMUJFWSA-N 307.413 2.705 0 50 DFAA CN(CC1(N2CCCCC2)CCCCC1)c1nc(C(=O)O)co1 1529159472 RFGJXJRCAOMLAG-UHFFFAOYSA-N 321.421 2.998 0 50 DFAA CC(F)(F)C1(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)CC1 1603207709 GSOOXAMECNARHB-NWDGAFQWSA-N 309.312 2.851 0 50 DFAA CCc1cnoc1C(=O)NCc1cccnc1N1CCCCC1 1615547666 CFUAOCBJTSSJJM-UHFFFAOYSA-N 314.389 2.552 0 50 DFAA C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1nnn(C(C)(C)C)n1 1615548004 HQIVSXLSBOSQBD-VIFPVBQESA-N 319.796 2.673 0 50 DFAA Cc1cccc(OCc2ccc(C(=O)N3CCOCC3)o2)c1 5032870 DDRJHUAHVLVSQJ-UHFFFAOYSA-N 301.342 2.639 0 50 DFAA Cc1nnsc1C(=O)N1CCC(Cc2ccccc2)CC1 5239306 ORRRABKYOVDXKG-UHFFFAOYSA-N 301.415 2.941 0 50 DFAA COc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cn1 12542395 YJIWBENBEZAMNA-UHFFFAOYSA-N 300.314 2.504 0 50 DFAA COc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)c(OC)c1OC 13116557 QDBBFORVWWODCU-DHSIGJKJSA-N 321.417 2.668 0 50 DFAA CC(C)CSc1nnc(CCNC(=O)c2cccs2)n1C 14981979 JATBELURKMEZLM-UHFFFAOYSA-N 324.475 2.597 0 50 DFAA O=S(=O)(Cc1ccccc1F)N1CCc2ccccc2C1 16579341 ADSPEWIDQVPKIY-UHFFFAOYSA-N 305.374 2.714 0 50 DFAA Cc1ccc(-c2ccnc(N3CC[C@@H]4NCCC[C@@H]4C3)n2)c(C)n1 1857676663 KTPVFDNFBVCCEP-WBVHZDCISA-N 323.444 2.734 0 50 DFAA C[C@H](Sc1nnc(-c2ccccn2)n1C)C(=O)OC(C)(C)C 408513415 XIVBFGXIGMLLIQ-JTQLQIEISA-N 320.418 2.699 0 50 DFAA C[C@H](c1ccccc1F)N1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 229922804 XIIUMJVFILEFTG-VXGBXAGGSA-N 316.380 2.588 0 50 DFAA CCC1(NS(=O)(=O)c2cccc(Cl)c2F)CCOCC1 330032275 KTMFCZZFZRQSGK-UHFFFAOYSA-N 321.801 2.717 0 50 DFAA C[C@H]1CCCN(C(=O)Cc2coc(-c3cccs3)n2)[C@@H]1CN 237627154 NIQMNVWBNRUVGK-WCQYABFASA-N 319.430 2.531 0 50 DFAA O=C(O)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)o1 237972849 OXJMHWJVDFSPAL-UHFFFAOYSA-N 303.289 2.922 0 50 DFAA Cc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cnn1C(C)(C)C 457107117 DYFSQGULALVLEX-AWEZNQCLSA-N 306.454 2.501 0 50 DFAA CCCc1nc(-c2noc([C@@H]3CC(=O)N(C(C)(C)C)C3)n2)co1 350389865 KUTRJRWERDOOPX-SNVBAGLBSA-N 318.377 2.792 0 50 DFAA O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(Cl)s1 6726162 BJZVSIMLPKJYQT-UHFFFAOYSA-N 305.750 2.834 0 50 DFAA Cc1nc([C@@H]2CCCN(CCOCc3ccccc3)C2)n[nH]1 660005996 WQGIOCZGHKTZDD-MRXNPFEDSA-N 300.406 2.509 0 50 DFAA Cc1n[nH]c(C)c1CCCNC(=O)c1cccc2ncsc12 2100556382 LQMPBYLSXAHOOK-UHFFFAOYSA-N 314.414 2.999 0 50 DFAA Cc1nc2cc(NC(=O)c3cnc(OC(C)C)cn3)ccc2o1 2325732860 KPGYGXPJQLKGMB-UHFFFAOYSA-N 312.329 2.966 0 50 DFAA CP(C)(=O)[C@H]1CCCN(C(=O)c2cnc(N)c(Cl)c2)C1 2325776684 LFKLRSQWVSOJJN-JTQLQIEISA-N 315.741 2.545 0 50 DFAA COc1cccc2c(=NC[C@H]3c4ccccc4CN3C)[nH]cnc12 2325857048 NFZBSWWTKSUMJE-INIZCTEOSA-N 320.396 2.659 0 50 DFAA O=C(CCN1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2 254955 RCZHPWCGDAVGHT-UHFFFAOYSA-N 324.380 2.802 0 50 DFAA O=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)c1ccco1 458492 GFJGNDNIBQDDTM-UHFFFAOYSA-N 318.716 2.839 0 50 DFAA O=C(NCc1cccnc1)[C@@H]1CC(c2ccccc2Cl)=NO1 1062029 QUEDMFGYOVVCBS-HNNXBMFYSA-N 315.760 2.544 0 50 DFAA Cc1nn(-c2ccccc2)c2sc(C(=O)NCCCO)cc12 2313131 UCVATZJIMPXEAJ-UHFFFAOYSA-N 315.398 2.508 0 50 DFAA CC(C)Oc1nccn2c(-c3cccc(C(=O)N(C)C)c3)cnc12 2356154004 DIZLJSUKOHPQOO-UHFFFAOYSA-N 324.384 2.885 0 50 DFAA O=C(Nc1ccccc1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356167279 LVGYVHGRWXMGKX-GOSISDBHSA-N 313.401 2.838 0 50 DFAA COc1ccc2oc(=O)c(C(=O)Nc3cccc(O)c3)cc2c1 6704599 OUJLIIYZTCMIGQ-UHFFFAOYSA-N 311.293 2.760 0 50 DFAA Cc1c(C)n(Cc2ccco2)c2ncnc(N[C@H](C)C(=O)O)c12 9970657 RACJZSJNLSJJOM-SNVBAGLBSA-N 314.345 2.574 0 50 DFAA COCCN(Cc1cnc(OC)nc1)Cc1sccc1C 55385778 LHPJTUVFMOTQQI-UHFFFAOYSA-N 307.419 2.504 0 50 DFAA COc1cc(F)ccc1NC(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 248199672 YFYJNVXWPALRDP-IUODEOHRSA-N 321.396 2.782 0 50 DFAA CCn1c(NC(=O)[C@H](C)Oc2cccnc2)nc2ccccc21 117583275 DZCDZRUJLMRXGQ-LBPRGKRZSA-N 310.357 2.857 0 50 DFAA Cc1cc(C)c(CNc2cc([C@H]3CCCNC3)nc(C)n2)cn1 67654705 LUEUNIFPYILNIM-HNNXBMFYSA-N 311.433 2.876 0 50 DFAA Cc1nc(C)c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)s1 250948679 BYACCBXJKHKVNG-TUAOUCFPSA-N 308.403 2.618 0 50 DFAA CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 122339161 PJLLEBKRQSIJFT-QWHCGFSZSA-N 306.431 2.670 0 50 DFAA CCCC(O)(CCC)CC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 252511623 IUVYFKTUCODQHZ-BBWFWOEESA-N 322.493 2.651 0 50 DFAA O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1CCCCO1 11936446 PPWQJVWQPULWEJ-UHFFFAOYSA-N 310.357 2.580 0 50 DFAA O=C(Cn1ccnc1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71715060 JMLZNYBGAVXCCV-INIZCTEOSA-N 315.392 2.894 0 50 DFAA CCNC(=O)C[C@@H]1CCCCN1Cc1cn2cc(C)ccc2n1 284811272 PGJYEZWKHJONOJ-INIZCTEOSA-N 314.433 2.523 0 50 DFAA Cc1cc(NCCc2noc(-c3ccccc3)n2)n2nccc2n1 72447161 AWCBMNILMCFELD-UHFFFAOYSA-N 320.356 2.742 0 50 DFAA COC(=O)CCCN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 72152297 SWDIWUYIPOBRGC-AWEZNQCLSA-N 305.353 2.792 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)/C=C(/c1ccccc1)C(F)(F)F 237404244 IOAXCBYYEOSWCT-WRHZYCJSSA-N 312.335 2.971 0 50 DFAA c1ccc(-c2nc(CN3CCNC[C@H]3c3cccnc3)co2)cc1 261631631 DXSMTGCGQILRNC-SFHVURJKSA-N 320.396 2.883 0 50 DFAA CSc1nsc(SCCC(=O)NC2CCCC2)n1 72115713 FAAFJGIYWLMMOG-UHFFFAOYSA-N 303.478 2.801 0 50 DFAA Cc1ccn2cc(CN3CC[C@@]4(CCCO4)CCC3=O)nc2c1 71770832 WXCZDBQIGCJGNM-GOSISDBHSA-N 313.401 2.704 0 50 DFAA O=C(O)[C@H]1CN(C(=O)[C@@H]2Cc3ccccc32)Cc2ccccc21 261769799 QUYYOGRXUQPAJO-SJORKVTESA-N 307.349 2.537 0 50 DFAA Nc1cc2ccccc2cc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 370774232 QZPJBLRGMREXSA-AWEZNQCLSA-N 321.384 2.560 0 50 DFAA CC(C)n1cc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)cn1 343364729 KMJJVSASRMOZBA-SJORKVTESA-N 303.381 2.911 0 50 DFAA O=C(CCn1cnc2ccccc21)N1CCC[C@@H](c2ncc[nH]2)C1 75554224 KXZAZEKCJAAEFQ-CQSZACIVSA-N 323.400 2.556 0 50 DFAA COCCN1C[C@@H](Cc2ccc(OC(F)(F)F)cc2)CC1=O 219313614 PIFPQEQCNUOBNF-LBPRGKRZSA-N 317.307 2.623 0 50 DFAA CCc1nccn1CCCNc1cc(C)nc2c(C)c(C)nn12 72476036 RHZOKXNFYWGEPD-UHFFFAOYSA-N 312.421 2.916 0 50 DFAA COCc1cccc(CNC(=O)N2CCSC(C)(C)C2)c1 175368097 ZHKXRHKXBJOBQY-UHFFFAOYSA-N 308.447 2.870 0 50 DFAA CCCCS(=O)(=O)N[C@H](C)c1ccccc1-n1cccn1 131796163 FWCDZPHEAIXLOI-CYBMUJFWSA-N 307.419 2.653 0 50 DFAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(N2CCCC2)c(Cl)c1 222377189 SRXQDAWHSVJUHJ-INWMFGNUSA-N 320.820 2.847 0 50 DFAA CC(C)(C)CCC(=O)N[C@@H](c1ccccc1)c1nnc(N)s1 426712803 SVULYMYKDVCIMX-ZDUSSCGKSA-N 318.446 3.152 0 50 DFAA COc1cccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 178900602 QNCANLXJDTUFFW-CZUORRHYSA-N 320.339 2.676 0 50 DFAA O=C(CCC(F)(F)F)N[C@@H]1CCCN(Cc2cccnc2)C1 222506266 LBURODZCCQGADU-CYBMUJFWSA-N 315.339 2.505 0 50 DFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 239164969 NGDKSUMWAZNTCW-HPBDAGMYSA-N 317.344 2.646 0 50 DFAA CCc1cc(C(=O)N2CC(Oc3ccccc3CC)C2)no1 97797744 UTCTYGLVMFANPN-UHFFFAOYSA-N 300.358 2.703 0 50 DFAA O=C1OCC2(CCN(Cc3nc4c(s3)CCCC4)CC2)O1 97696284 LZJPXBPAZYYWER-UHFFFAOYSA-N 308.403 2.523 0 50 DFAA C[C@H](Cc1cnccn1)N(C)Cc1nc2c(s1)CCCC2 97574907 HRVOQBADMUDPMK-GFCCVEGCSA-N 302.447 2.875 0 50 DFAA Cc1cc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(C)o1 243932261 BTVHPHQDOPNZGH-ZENOOKHLSA-N 300.358 2.533 0 50 DFAA Cn1ncc2c1CCC[C@@H]2NC(=O)NC[C@H]1C[C@H]1c1ccccc1 245338991 PVFVMUOIAXZUEH-VYDXJSESSA-N 324.428 2.900 0 50 DFAA O[C@H](CN1CCC(OCc2ccccn2)CC1)c1ccccc1 252484010 FMBZHROKNCIPAR-LJQANCHMSA-N 312.413 2.796 0 50 DFAA O=C(O)COc1cccc(NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1 630135033 GEZHEAMODCOOBU-CGTJXYLNSA-N 323.348 2.674 0 50 DFAA Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCNC1 299793794 IFIOFTVJVXLZBP-CYBMUJFWSA-N 300.431 2.939 0 50 DFAA CC[C@H](NC(=O)Nc1cc(C)nn1C(C)C)c1ccnn1C 299768358 MQJZNQPKXZDBCN-LBPRGKRZSA-N 304.398 2.779 0 50 DFAA O=C(N1CC[C@@H](c2ccc(F)cc2)C1)C1(Cn2ccnc2)CC1 299790576 BQIHUTUJUOUMMU-OAHLLOKOSA-N 313.376 2.819 0 50 DFAA O=C(C[C@@H]1CCOC1)NCc1nc(-c2ccccc2)cs1 584884981 ZTBOBPUVVSNVQO-LBPRGKRZSA-N 302.399 2.853 0 50 DFAA O=C1CN(C[C@@H]2CC2(c2ccccc2)c2ccccc2)CCCN1 670435514 ZKZJZXRQGBPAKI-IBGZPJMESA-N 320.436 2.815 0 50 DFAA C[C@]1(COC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)COC(=O)N1 861006777 DPCSXCRAMFOYLP-MPGHIAIKSA-N 317.385 2.687 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCN1c1ccncc1 881634914 GRIFWMXBXCCVFA-CQSZACIVSA-N 320.396 2.914 0 50 DFAA CCO[C@@H]1C[C@@H](Nc2ncnc(CC)c2F)C12CCOCC2 274501972 UYMARBYWOBBCPA-CHWSQXEVSA-N 309.385 2.564 0 50 DFAA Cc1nc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)oc1C 275520086 MBIRZMYSWVCPQC-UONOGXRCSA-N 316.361 2.728 0 50 DFAA CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)C=C1CCC(C)CC1 170626963 RZTOHHBWAKOGKG-JYRZLJSNSA-N 324.490 2.939 0 50 DFAA CNc1nc(C)cc(C(=O)N2CCCC[C@@H]2c2cccn2C)n1 281075402 UAOXWEHFADQJFT-OAHLLOKOSA-N 313.405 2.533 0 50 DFAA C[C@H](CNC(=O)N1CCn2cccc2[C@H]1C)c1nccs1 187042706 SENSSVWZHIXPIY-VXGBXAGGSA-N 304.419 2.835 0 50 DFAA C[C@@H](O)c1ncc(CNc2cnn(-c3ccccc3)c2)s1 585084353 INDLUUKKTVVDAE-LLVKDONJSA-N 300.387 2.994 0 50 DFAA COC(=O)C1(COc2ccc(N=S3(=O)CCCC3)cc2)CC1 585123033 RDSYKNCTFHWRAA-UHFFFAOYSA-N 323.414 2.912 0 50 DFAA CC[C@H](Nc1cccnc1Cl)C(=O)N1CCCSCC1 585122043 LKTQMCCNTQKRBX-NSHDSACASA-N 313.854 2.891 0 50 DFAA Cc1ccnc(N2CC[C@H](CN(C)Cc3scnc3C)C2)n1 190445473 LZVJHSZQLIUJEE-CQSZACIVSA-N 317.462 2.508 0 50 DFAA Cc1nnc(CN2C[C@H](C)Oc3ccc(Br)cc32)o1 193224456 WYOKANYBXPRVMP-QMMMGPOBSA-N 324.178 2.928 0 50 DFAA Cc1nnc([C@H]2CN(c3nccc(C)c3Cl)C[C@@H](C)O2)o1 664501791 WYYMPIYIVDWQRT-MWLCHTKSSA-N 308.769 2.701 0 50 DFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCC(F)(F)CC1 1260764870 RPYLAGBTXQEXKJ-UHFFFAOYSA-N 319.373 2.732 0 50 DFAA OC1(c2cccnc2)CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506403121 RNDPCGFQYDOLMW-LJQANCHMSA-N 323.440 2.644 0 50 DFAA CC(C)Sc1nnc(NC(=O)CN(C)C2CCCC2)s1 1506403361 YAIDKHKQNJEWLZ-UHFFFAOYSA-N 314.480 2.852 0 50 DFAA Oc1cccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)c1 1529134115 UQLYMWAXQKKGKN-UYAOXDASSA-N 324.424 2.650 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3cc4ccccc4o3)C[C@@H]2O)on1 1529191906 IVQDYJJJAKVCRJ-PBHICJAKSA-N 312.369 2.765 0 50 DFAA CC1=CC2(CCN(C(=O)CCc3n[nH]c(C)c3C)CC2)OCC1 1704345249 UVKMLWMFGATNIK-UHFFFAOYSA-N 317.433 2.687 0 50 DFAA CCOC(C)(C)CS(=O)(=O)N[C@H]1CCc2cc(F)ccc21 1615606142 SXXJXDIAALJGGH-AWEZNQCLSA-N 315.410 2.548 0 50 DFAA CCOC(=O)c1cn(C)cc1NC(=O)c1cn(C(C)C)nc1C 1616032558 QNNZTPDJLBYBGA-UHFFFAOYSA-N 318.377 2.540 0 50 DFAA O=C(CCc1ccc(F)cc1F)N[C@H]1CCCN2CCC[C@@H]12 1772814678 NFOYXFSEBAEJCZ-HOTGVXAUSA-N 308.372 2.640 0 50 DFAA O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1=CCCC1 12588005 XYNBLHPVMWOGCU-GOSISDBHSA-N 310.441 2.845 0 50 DFAA CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(F)cc2)C1 13497349 NKONYPDTYMCXDK-NSHDSACASA-N 310.394 2.798 0 50 DFAA Cn1c[n+](C[C@@H](O)COc2cccc(Cl)c2)c2ccccc21 15746187 AISLMOBRZMVOKR-CQSZACIVSA-N 317.796 2.559 0 50 DFAA O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3)c12 16624999 JYYYZJGVMQPJCW-UHFFFAOYSA-N 306.369 2.975 0 50 DFAA OCC1(CN[C@H](c2ccccc2)c2ccccn2)CCOCC1 225561438 PQINTTWRTRHBBE-GOSISDBHSA-N 312.413 2.550 0 50 DFAA O=C(N[C@H]1CCc2c(Cl)cccc21)[C@H]1CC12CCNCC2 237893712 UONHYQKHIKIMDA-HIFRSBDPSA-N 304.821 2.833 0 50 DFAA Cn1ccnc1Sc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 237897219 JQFADJXWSCMJCI-AWEZNQCLSA-N 316.430 2.652 0 50 DFAA CCc1cccc(S(=O)(=O)Nc2cccc(CCO)c2)c1 585118835 DTFFDGQYNUCBBU-UHFFFAOYSA-N 305.399 2.585 0 50 DFAA O=C(C[C@H]1CC=CCC1)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 823351605 NVYUMABWLXMSHA-GRDNDAEWSA-N 303.406 2.740 0 50 DFAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 935897524 ZWYSSTCUASITOL-TZMCWYRMSA-N 318.417 2.578 0 50 DFAA CCc1nnc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)o1 76109937 YOLOXRCRPRJESZ-INIZCTEOSA-N 314.433 2.586 0 50 DFAA CCOc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12 1053358 AUURWKVEGFPZAK-UHFFFAOYSA-N 324.336 2.517 0 50 DFAA CO[C@H]1CC[C@@H]1CC(=O)N1CCC(c2ccccc2CO)CC1 2325805335 BLXSXTBIVOLQNR-QAPCUYQASA-N 317.429 2.700 0 50 DFAA CCOc1ccc(C)cc1S(=O)(=O)NCc1ccccc1 529316 BWNZOLLIBWTNIO-UHFFFAOYSA-N 305.399 2.872 0 50 DFAA CC[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2ccccc2)cc1 1236615 UIFNETQVZLKZMO-KRWDZBQOSA-N 308.381 2.704 0 50 DFAA O=C1C[C@@H](NC(=O)c2ccc3ccccn23)c2ccccc2N1 2356134783 CDSWJOCJGBYMFZ-OAHLLOKOSA-N 305.337 2.753 0 50 DFAA Cc1cc(NC(=O)CN2[C@H]3CCC[C@@H]2C[C@H](O)C3)ccc1Cl 2356138260 HWHAKYPNWAMYKI-FICVDOATSA-N 322.836 2.965 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356149319 UTOKMDNKQVTESX-FICVDOATSA-N 312.369 2.860 0 50 DFAA CN1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1 2876677 UVPRIUPDEZLCBL-UHFFFAOYSA-N 311.433 2.736 0 50 DFAA Cc1ccc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 4986451 MMPOZLZWSQRSQP-CYBMUJFWSA-N 310.353 2.748 0 50 DFAA Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)on1 6738084 JSSIXOQKYVLBTK-UHFFFAOYSA-N 319.792 2.907 0 50 DFAA C[C@H](NC(=O)Cc1ccc(Br)cc1)[C@@H]1CCCO1 6741339 MVTXFVMPFAKLSI-GWCFXTLKSA-N 312.207 2.675 0 50 DFAA Cc1cc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c(C)o1 345090236 JKKWTUZYQCNKHO-UHFFFAOYSA-N 313.306 2.535 0 50 DFAA Cc1cc(Br)cc(C(=O)N[C@@H](C)[C@H](C)CO)c1 134957464 KNUNJESXURARSZ-ZJUUUORDSA-N 300.196 2.504 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)CCC1OCCO1 252586699 RXUIKAGYYMDHRX-SJLPKXTDSA-N 318.461 2.592 0 50 DFAA O[C@H](CN1C[C@@H]2CCCC[C@]21c1ccccc1)Cn1cccn1 230127423 VOUDWAYQPHTEOV-OTWHNJEPSA-N 311.429 2.645 0 50 DFAA CC(C)CCn1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)nn1 365690370 UJQSUHMSHCGKJL-OAHLLOKOSA-N 302.422 2.729 0 50 DFAA O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc2c(c1)OCO2 350807 DUKKSZLDZDKYFL-GJZGRUSLSA-N 317.385 2.837 0 50 DFAA biogenic Cc1ccccc1OC[C@H](O)Cn1ccc2sccc2c1=O 253425978 VWTKKCRAYNLDNU-CYBMUJFWSA-N 315.394 2.811 0 50 DFAA Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)n1cccn1 2779005 SNHFGASSSZAJAY-SSDOTTSWSA-N 306.675 2.962 0 50 DFAA CCc1nn(C)cc1CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 328639871 PTHGZTNSNHAWBX-QGZVFWFLSA-N 313.449 2.922 0 50 DFAA O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC[C@@H]1CO 153816701 CDBCBKQWSREAOF-CYBMUJFWSA-N 316.788 2.999 0 50 DFAA Cc1oc2ccccc2c1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 368655508 LZOKZTYWMDIDEJ-GFCCVEGCSA-N 310.357 2.879 0 50 DFAA COc1cccc(-c2ccnc3nc(-c4cccnc4)nn23)c1 72117643 NFMPSONTOMEEBU-UHFFFAOYSA-N 303.325 2.862 0 50 DFAA CC[C@@H](NC(=O)COCC(F)(F)C(F)F)c1cc(C)ccn1 219268433 BWHVKBUNQOKVMQ-SNVBAGLBSA-N 322.302 2.874 0 50 DFAA Cc1ccccc1N1CCCN(C(=O)Cc2cccc(O)c2)CC1 77343481 VCFOWBSDGDWKEM-UHFFFAOYSA-N 324.424 2.982 0 50 DFAA NCCCCCNc1nccc(-c2cnn(-c3ccccc3)c2)n1 48115621 HLSZCEKTYSUOMD-UHFFFAOYSA-N 322.416 2.870 0 50 DFAA Cc1ccc(CN2CCC(CN3CCN(C)CC3)CC2)cc1F 289559930 YLHGLMBHKDOVGM-UHFFFAOYSA-N 319.468 2.594 0 50 DFAA O=C(NCCC[C@@H]1CCCC[C@H]1O)c1n[nH]c2ccccc12 134509549 UUDJLCPVSBFCAI-SWLSCSKDSA-N 301.390 2.624 0 50 DFAA O=C(O)c1ccc(CN2CCO[C@H](Cc3ccccc3)C2)cc1 263572961 LSSIHBZAZAHXAQ-GOSISDBHSA-N 311.381 2.828 0 50 DFAA CCCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(C3CC3)nc21 20615734 YDVQQHBSNNADJM-UHFFFAOYSA-N 319.386 2.830 0 50 DFAA COCC1(CNS(=O)(=O)c2cccc3ccccc23)CCC1 336864165 FMYHSDPRPJRNGK-UHFFFAOYSA-N 319.426 2.935 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)c1ccc(-c2cnc[nH]2)cc1 426701435 OOXZUWWKZLICQP-UHFFFAOYSA-N 324.388 2.521 0 50 DFAA CCCc1nc(C(=O)NCc2ccc3c(c2)OCO3)cs1 91819850 YHOJHQXOQIJCKJ-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA CCCCCc1nnc(NC(=O)N[C@@H]2CCSC2)s1 23128795 VAPNYWHDIAMAAG-SECBINFHSA-N 300.453 2.898 0 50 DFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)CCc2ccncc2)C1 91476334 QYFJBMMGTQMHOQ-QGZVFWFLSA-N 304.390 2.508 0 50 DFAA Cn1cnnc1C1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 91305834 YEZOUBHDJQOPOC-MRXNPFEDSA-N 324.428 2.641 0 50 DFAA COc1nccc(CN2CCCCC[C@H]2c2c(C)n[nH]c2C)n1 295993868 KKZMKEVWWXAUEQ-HNNXBMFYSA-N 315.421 2.942 0 50 DFAA Cc1nc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)no1 243901164 AYXIVGSRQLGXLZ-ZDUSSCGKSA-N 311.389 2.709 0 50 DFAA Cc1ccc(Cl)c(C)c1NC(=O)NCCCn1ccnn1 299796179 NKTVOHBVSSCGQN-UHFFFAOYSA-N 307.785 2.760 0 50 DFAA CCSCC(=O)NC[C@H](c1ccc(F)cc1)N1CCCC1 299780299 SGEVEXOSLDLGHY-OAHLLOKOSA-N 310.438 2.832 0 50 DFAA Cc1cccc([C@@H](NC(=O)c2nn(C)cc2Cl)C2CC2)n1 584885670 JZVWDSPMVLRVEZ-ZDUSSCGKSA-N 304.781 2.658 0 50 DFAA CC(C)C(C)(C)NC(=O)N(Cc1cocn1)Cc1cocn1 670472101 NRWNGWUFXDTODY-UHFFFAOYSA-N 306.366 2.809 0 50 DFAA COc1cccc2[nH]c(CN3CCOc4ccncc4C3)cc12 1875325513 NTGHCQMVHSIDHW-UHFFFAOYSA-N 309.369 2.966 0 50 DFAA COCC1CCC(N[C@H](C)c2nc(C(F)(F)F)no2)CC1 952993283 UUEVXUBTCGOQDO-XNWIYYODSA-N 307.316 2.944 0 50 DFAA Cn1nccc1C(=O)NCC(C)(C)c1coc(-c2ccccc2)n1 1875296944 VVMMTKMTYJEUFC-UHFFFAOYSA-N 324.384 2.783 0 50 DFAA CC(=O)N1C[C@@H](NCc2ccc(C)o2)CC[C@@H]1C(F)(F)F 886038133 NNFNDWSAWDOCOX-WCQYABFASA-N 304.312 2.619 0 50 DFAA CC(C)n1nccc1NC(=O)N1C[C@@H]2C[C@@]2(C(F)(F)F)C1 1776002721 YWHMUXMMTKXUBM-JOYOIKCWSA-N 302.300 2.880 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N(C[C@H]2CCOc3ccccc32)C1=O 272352740 FWUSRGPPUMSHNY-ZOWXZIJZSA-N 302.374 2.519 0 50 DFAA Cc1ccc2oc(N3CCN(c4nc(C)ns4)CC3)nc2c1 169996116 RMGYKVZDIBKZPS-UHFFFAOYSA-N 315.402 2.623 0 50 DFAA Cc1csc(CNC(=O)c2ccc3nc(S)oc3c2)n1 170647361 GAQZRTJKLIBUGU-UHFFFAOYSA-N 305.384 2.811 0 50 DFAA CNC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 281328891 RWGZOSJIGZFCMH-RCCFBDPRSA-N 316.445 2.562 0 50 DFAA C[C@H]1COC(C)(C)CN1C(=O)c1ccc(OC(C)(C)C)cn1 408063620 WJSKJOSZOKXDMC-LBPRGKRZSA-N 306.406 2.898 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 187669853 BRNDZUNRFLLPKA-HIFRSBDPSA-N 313.394 2.621 0 50 DFAA Cc1nc(-c2cccc(OC[C@@H](O)CC(F)(F)F)c2)no1 225546255 GOWRNUMLWNYHRW-JTQLQIEISA-N 302.252 2.737 0 50 DFAA Cc1nccn1CCOC(=O)c1cnn(-c2ccccc2)c1C 225543944 KZNKHZOOUIXSET-UHFFFAOYSA-N 310.357 2.543 0 50 DFAA O=C1[C@H]2CCCCN2C(=O)N1[C@@H](c1ccccc1)c1ccccn1 225554790 DQCGRKJNUZGYFU-SJORKVTESA-N 321.380 2.988 0 50 DFAA CC[C@H](SC)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 190645536 VBPBHDDQZPIJKM-HOTGVXAUSA-N 321.490 2.504 0 50 DFAA Cc1noc2ncnc(Nc3ccc4c(c3)CCC(=O)N4C)c12 192450985 UCGMIHWGVOLBCI-UHFFFAOYSA-N 309.329 2.579 0 50 DFAA CCO[C@H](CNC(=O)NCc1cscn1)c1ccccc1 193560188 XZZSLFQHUHHOCQ-CQSZACIVSA-N 305.403 2.720 0 50 DFAA CCc1ccnc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c1 653327975 BWEIXAAAPGMBBI-HUUCEWRRSA-N 310.353 2.687 0 50 DFAA C[C@@H](CNc1ncnc2c1cnn2C)c1nc2ccccc2o1 584907261 HBSBEUGJYJLBST-JTQLQIEISA-N 308.345 2.720 0 50 DFAA CCN(C)C1(CNc2ncccc2C(=O)NC)CCCCC1 1529109589 GDFLPYOSMPNARR-UHFFFAOYSA-N 304.438 2.508 0 50 DFAA Cc1nnc(CN(CCO)CC23CC4CC(CC(C4)C2)C3)s1 1529098842 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316.426 2.719 0 50 DFAA CN(C(=O)c1ccc2nn[nH]c2n1)[C@@H]1CCC[C@H]1C(C)(C)C 333176853 OVWINAKPUBUMFD-ZWNOBZJWSA-N 301.394 2.640 0 50 DFAA Cc1nccn1C[C@H]1CCCN1C(=O)CCCC1CCOCC1 369189716 SUUROJGRMKYELB-QGZVFWFLSA-N 319.449 2.779 0 50 DFAA CCn1ccnc1[C@H](C)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O 333885783 FRZCESNBWLZWFT-XUXIUFHCSA-N 316.405 2.559 0 50 DFAA O=C(NCCC12CCCN1CCC2)c1ccc2ncccc2c1 219769598 WGOHLBVRSBYCIY-UHFFFAOYSA-N 309.413 2.983 0 50 DFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccnn2)cc1 77456094 VJOQPECBXHEPAG-SFHVURJKSA-N 324.428 2.906 0 50 DFAA Cc1cccnc1CN1CCC2(CC1)Nc1ccccc1NC2=O 77300504 LCBPDQCZIPFRQY-UHFFFAOYSA-N 322.412 2.789 0 50 DFAA CC(C)[C@@H](NCc1cn(C)nc1C(F)F)C1(CO)CCC1 339727577 ACFRJKNOWWJODR-CYBMUJFWSA-N 301.381 2.635 0 50 DFAA O=C(c1cc(-c2cccc3cnccc23)c[nH]1)N1CCOCC1 426423260 CRSIYEYSIKDJGR-UHFFFAOYSA-N 307.353 2.702 0 50 DFAA CCOCCN1C[C@H]2CC[C@@H]1CN(C1Cc3ccccc3C1)C2 91305128 IWNZABWGHAGRRA-VQIMIIECSA-N 314.473 2.587 0 50 DFAA 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CC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)O 2384853 DGIGGVANZFKXLS-UONOGXRCSA-N 321.373 2.666 0 50 DFAA C[C@H](NC(=O)CCC(=O)Nc1ccccc1O)c1ccccc1 2829071 JFPYVSGALWQPHI-ZDUSSCGKSA-N 312.369 2.988 0 50 DFAA Cc1ccc(N(C(=O)CC(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1 2836270 LBOXEAIJEGBSNX-OAHLLOKOSA-N 307.415 2.685 0 50 DFAA O=C(COc1ccc(F)cc1F)Nc1ccc2c(c1)OCCO2 4487994 NQFUYSLJVZOAEG-UHFFFAOYSA-N 321.279 2.754 0 50 DFAA CCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O 4999297 OYWGWVOCRKBYAG-UHFFFAOYSA-N 314.772 2.885 0 50 DFAA C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)[C@H]1CCCO1 6725716 WRNCKOCBBURPHN-PHDIDXHHSA-N 309.234 2.679 0 50 DFAA O=C(CSc1nc2ccccc2s1)NC[C@H]1CCCO1 9239250 BBPGGERCLTUSPB-SNVBAGLBSA-N 308.428 2.684 0 50 DFAA COc1ccc(CN(CCN(C)C)Cc2ccsc2)cn1 55284710 UYBXBNJVJVTVGY-UHFFFAOYSA-N 305.447 2.716 0 50 DFAA CCOC(=O)[C@H]1CCCN([C@H](C)Cc2ccc(OC)cc2)C1 104835279 UQEPFXPWPQAKSE-ZBFHGGJFSA-N 305.418 2.901 0 50 DFAA O=C(NC[C@@H]1COc2ccccc2C1)N1C[C@@H]2CC=CC[C@H]2C1 110637409 PIEGCBMBMWGMRB-PVAVHDDUSA-N 312.413 2.845 0 50 DFAA C1=C(Cc2nc(-c3ccccc3)nn2-c2ccccn2)CCNC1 67714150 SJYHAYCCLWCXLD-UHFFFAOYSA-N 317.396 2.792 0 50 DFAA Cn1cnc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)n1 357871475 QSQKFHADJANMPO-KRWDZBQOSA-N 318.380 2.603 0 50 DFAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H](Nc2ccccc2)C1 252477917 XSGHIMZJMCHXAA-QBPKDAKJSA-N 300.402 2.657 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)C2(CCCCC2)C1 252675928 VLPJHQBKHSEPLH-WCVJEAGWSA-N 318.461 2.672 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)n1 282431525 GBNQGKZIDVYNTO-GDBMZVCRSA-N 317.364 2.551 0 50 DFAA CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)CC1 34433384 MCRCVCVGQNSZST-UHFFFAOYSA-N 320.389 2.876 0 50 DFAA CN1CC[C@@H](c2nc(CCOc3ccc(Cl)cc3)no2)C1 32540713 FQJZBHRBUZPNSV-LLVKDONJSA-N 307.781 2.764 0 50 DFAA O=C(C[C@@H]1COCCN1)Nc1cccc(-c2cccc(F)c2)c1 72165934 RWNRDXKETPTMAP-QGZVFWFLSA-N 314.360 2.810 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)CCc1cc2ccccc2o1 332279899 BXFCLFCQIWNDGY-CQSZACIVSA-N 301.342 2.831 0 50 DFAA N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccccn1 6644652 RSSMNCOCRQJDAG-UHFFFAOYSA-N 313.744 2.891 0 50 DFAA CN(C(=O)c1ccc[nH]1)[C@@H]1CCCN(Cc2ccccc2F)C1 72419861 NOTWGVXRKMTNAX-OAHLLOKOSA-N 315.392 2.890 0 50 DFAA O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cccs1 30699584 NRHJQNQGDFPDRB-OAHLLOKOSA-N 316.426 2.551 0 50 DFAA CCN(Cc1ccccc1)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C 261541119 FOKPWENHSMWTRG-FRQCXROJSA-N 316.445 2.568 0 50 DFAA Cc1nc(CC(=O)N(C)Cc2noc3c2CCCC3)cs1 72411940 WANVHZYQMXETRP-UHFFFAOYSA-N 305.403 2.519 0 50 DFAA CCOc1cncc(N[C@@H]2CCOc3cc(OC)ccc32)n1 377343321 DMACFPPYPBKWIG-CYBMUJFWSA-N 301.346 2.820 0 50 DFAA CC1(C)CN(C(=O)NCc2coc3ccccc23)CC[C@H]1O 287556918 KSPZLKWMDMMGGC-OAHLLOKOSA-N 302.374 2.735 0 50 DFAA COc1ccc(-n2cc([C@H](C)NC(=O)CCSC)cn2)cc1 220701727 FXWYJLYYMWTIPB-LBPRGKRZSA-N 319.430 2.811 0 50 DFAA Cc1nn(C)c(C)c1NC(=O)[C@H](O)c1ccc(Cl)cc1F 291523290 ZSTCMKQXBFGLBY-CYBMUJFWSA-N 311.744 2.502 0 50 DFAA O=C(C[C@H]1CCCC(=O)N1)Nc1cc(C(F)(F)F)ccc1F 289490983 YHPWPTHADGNZQD-SECBINFHSA-N 318.270 2.842 0 50 DFAA Cc1cncnc1C1CCN(C(=O)C(C)(C)n2cccc2)CC1 426669186 ZEQCZBSPGMHWKU-UHFFFAOYSA-N 312.417 2.728 0 50 DFAA O=C(c1nc2ccccc2[nH]1)N1CCCC[C@H]1CCn1ccnc1 426372123 PQUMEBXKOQITFP-AWEZNQCLSA-N 323.400 2.844 0 50 DFAA CC[C@@H](Nc1nc2c(s1)c(C)nn2C)c1ncnn1CC 96136419 LQLSEZCCTAFCCY-SECBINFHSA-N 305.411 2.513 0 50 DFAA O=C1CSc2ccccc2N1Cc1nnc(-c2cccnc2)o1 95385019 DWBGJDRUXIEVSJ-UHFFFAOYSA-N 324.365 2.771 0 50 DFAA O=C(C1CC1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 95356964 DUOPESPSLCYLPA-RCCFBDPRSA-N 314.404 2.624 0 50 DFAA Cc1cccc(CNC(=O)N(C)CCCc2nccn2C)c1 426495574 GLSHTTKGUMUPOE-UHFFFAOYSA-N 300.406 2.503 0 50 DFAA CSCCc1nc([C@@H]2CCOC2)n(CCc2ccccc2)n1 95500494 RYAPHJMBBLOCLE-OAHLLOKOSA-N 317.458 2.930 0 50 DFAA Cc1nc(N2CCN(C3CCCC3)C(=O)C2)c2sccc2n1 95382951 QEPRWJXGWATBBK-UHFFFAOYSA-N 316.430 2.591 0 50 DFAA Cc1nc2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1CF 294144214 RAGNPDFLKBNUON-SNVBAGLBSA-N 311.307 2.583 0 50 DFAA Cn1cnnc1CCC(=O)NCc1cccc(-c2ccccc2)c1 97499425 SJIBNLWDNUNHRT-UHFFFAOYSA-N 320.396 2.731 0 50 DFAA COc1nc(C)cc(C)c1CNC(=O)c1cc(CC(C)C)no1 91829792 PTQJDVSRJHGYTH-UHFFFAOYSA-N 317.389 2.824 0 50 DFAA COc1cc(Cl)ccc1C(=O)N1CC[C@@](O)(C2CC2)[C@H](C)C1 91494111 ILKPKVFMLCDZMU-DIFFPNOSSA-N 323.820 2.972 0 50 DFAA N[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 299741797 GEFHBQSGSBANOK-NSHDSACASA-N 301.217 2.876 0 50 DFAA Cc1nccn1C[C@H](C)NCCCc1nc2ccc(F)cc2[nH]1 584902244 LAUYJROUAURUKV-LBPRGKRZSA-N 315.396 2.818 0 50 DFAA O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc2c(c1)CNC2 1875336545 BCKVMBDZPHADAN-UHFFFAOYSA-N 304.353 2.932 0 50 DFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(CSC)cc2)CC1 1875369270 DSENTPXVAFVJHR-UHFFFAOYSA-N 318.442 2.913 0 50 DFAA C[C@H]1CN(C(=O)Cc2cc3ccccc3c(=O)o2)C[C@H](C)S1 1875335346 DKLHPOAETHYTSW-RYUDHWBXSA-N 317.410 2.688 0 50 DFAA CCCCC(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 952882766 KOWCDFBWCZRDGR-JTQLQIEISA-N 318.343 2.551 0 50 DFAA CC(C)C[C@H](C(=O)O)N1CC[C@@H](n2ncc3ccccc32)C1 952852310 NYRPNZZNZCDPTB-GDBMZVCRSA-N 301.390 2.782 0 50 DFAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN=c1cc[nH]cc1Cl 886079927 NAXTXZGYTUDECC-WBMJQRKESA-N 320.824 2.697 0 50 DFAA CC(C)[C@@H]1N(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CC12CC=CC2 888094352 KFDJHQHXTQKXCT-FPCVCCKLSA-N 304.434 2.940 0 50 DFAA C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(C[S@](C)=O)cc1 894822828 UTACSSXTXHNGER-XNVILDLWSA-N 320.458 2.719 0 50 DFAA O=C(Nc1cccc2c1CCNC2=O)c1cc(F)ccc1F 1411445386 PGBBDSQUCLVDHO-UHFFFAOYSA-N 302.280 2.503 0 50 DFAA CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(F)c1 185958380 YPAQADSMIBWAQS-CQSZACIVSA-N 313.394 2.656 0 50 DFAA CCc1nc(-c2ccc(C(=O)Nc3ccc(C)nc3O)cc2)n[nH]1 170594819 PKIHLELEDYBJLU-UHFFFAOYSA-N 323.356 2.695 0 50 DFAA Cc1ccc(CNC(=O)NC2CCCC2)c(N2CCCC2)n1 679656860 LPDWRZGMLMXIMA-UHFFFAOYSA-N 302.422 2.732 0 50 DFAA CCCS(=O)(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 188433567 BGBRJYWPOIRXNT-NSHDSACASA-N 303.374 2.884 0 50 DFAA Cc1nc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 194643705 QHHHSNFKFQQBOI-UHFFFAOYSA-N 322.173 2.627 0 50 DFAA COCCN(C(=O)c1cccc(C(=O)O)c1)[C@H]1CC[C@H](C)C1 668300594 QZBSYHNNTZMSGQ-WFASDCNBSA-N 305.374 2.662 0 50 DFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2c(C)noc2C)cc1F 1529179582 CTLIZQIEHATDMK-HNNXBMFYSA-N 322.336 2.697 0 50 DFAA c1ccc2nc(CN3CCN4[C@@H](C5CC5)COC[C@H]4C3)ccc2c1 1529186337 BVRGXOOBXURKEU-UYAOXDASSA-N 323.440 2.530 0 50 DFAA Cc1nc[nH]c1CN(CCO)Cc1ccc([C@H]2CCCO2)s1 1704330851 HJDZHTHEEIEPNR-OAHLLOKOSA-N 321.446 2.626 0 50 DFAA COCCN1CC[C@H](CN(C)c2ncc(Cl)cc2Cl)C1 1704312468 CKSRQODRJVZPQR-LLVKDONJSA-N 318.248 2.793 0 50 DFAA COc1cc(C)ccc1CN(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1704299034 NCTOPTJSCKPBRP-IXDOHACOSA-N 316.445 2.692 0 50 DFAA CCn1cc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)nn1 1615001117 WOONNIULVPAQSS-UHFFFAOYSA-N 318.327 2.506 0 50 DFAA N=C(N)c1ccc(-n2cccn2)cc1C(F)(F)C(F)(F)F 1615059123 VZTRBLWVNZJTMY-UHFFFAOYSA-N 304.222 2.810 0 50 DFAA CN1CC[C@@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@@H]2C1=O 1772816648 RDCLEJCHRWLUEP-NEPJUHHUSA-N 313.228 2.904 0 50 DFAA CCc1cccc(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)c1 1775977500 HFTQQHXYDGMQQD-QGZVFWFLSA-N 318.461 2.818 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C)n1 11853146 NEABUCMGPMDMOC-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA O=C(CCCCSc1ncnc2nc[nH]c12)N1CCCCC1 5349651 KMIUWGVGMOBXOE-UHFFFAOYSA-N 319.434 2.628 0 50 DFAA c1cnc(-n2cnc3ccccc32)c(CNC2CCOCC2)c1 12307131 VNNOKOCMBHVYTB-UHFFFAOYSA-N 308.385 2.689 0 50 DFAA O=C(CCn1cncn1)N1CCC[C@H](CCc2ccccc2)C1 15065054 SYIIOYZNASNIGB-QGZVFWFLSA-N 312.417 2.540 0 50 DFAA COc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)cc(OC)c1 16527110 KEUHBBYTHPNDEZ-UHFFFAOYSA-N 324.340 2.537 0 50 DFAA Cc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1 16651923 IBSYAAWMKMGYKT-UHFFFAOYSA-N 311.320 2.549 0 50 DFAA Cc1nc(COc2ccc3c(c2)CCOC32CCNCC2)co1 1857674409 HCAZOVJQBFXBSD-UHFFFAOYSA-N 314.385 2.713 0 50 DFAA COc1cccnc1CN1CCC[C@H](c2nnc3ccccn23)C1 1857691056 YHFVNXINWSEYCJ-AWEZNQCLSA-N 323.400 2.513 0 50 DFAA CC(=O)NC1(c2noc(-c3scnc3C)n2)CCCCC1 225557151 ZMTKCSPKIDJMIR-UHFFFAOYSA-N 306.391 2.797 0 50 DFAA CC1(C)[C@H](NC(=O)N[C@@H]2CCc3cc(F)ccc32)[C@@H]2CCO[C@H]21 230096111 BGHYPHYROPIDIB-ZJIFWQFVSA-N 318.392 2.926 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C(=O)NC2(c3cccc(Cl)c3)CC2)C1 247382414 JMXZPTYEZOTDFY-MNOVXSKESA-N 307.777 2.946 0 50 DFAA CCO[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1 133501310 HLPQMTNHCPWEEH-KSZLIROESA-N 311.381 2.539 0 50 DFAA Cc1ccc(CC2CN(C(=O)NC[C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1 665142120 HVIZJQHQLKPIMO-RKVPGOIHSA-N 316.445 2.992 0 50 DFAA Cn1nccc1C(=O)Nc1ccc(OCc2ccncc2)cc1 354938945 HOAFXBOGASUJJD-UHFFFAOYSA-N 308.341 2.646 0 50 DFAA C[C@H](O)[C@H]1CCN(C(=O)N[C@H](C)CCc2cccc(F)c2)C1 253369895 JONBXRHPVNVVNB-IPYPFGDCSA-N 308.397 2.559 0 50 DFAA Cc1nn(CC(=O)N2CC3(CCC3)[C@@H]2C2CC2)c(C)c1Cl 365778320 IRRUOLBVRGNGRD-HNNXBMFYSA-N 307.825 2.944 0 50 DFAA CC(C)C[C@H](C)NC(=O)c1cnn2c(-c3cccnc3)ccnc12 585140614 HSWSZXORFWGOTL-ZDUSSCGKSA-N 323.400 2.956 0 50 DFAA Cc1noc(C)c1CN1CCN(c2ccncc2Cl)CC1 267370477 JSOFKSLSXXCMLF-UHFFFAOYSA-N 306.797 2.662 0 50 DFAA Cc1cc(C)nc(C2CN(C(=O)c3cc4ccccn4c3)C2)n1 913610736 PNQBBMAIXAMYRB-UHFFFAOYSA-N 306.369 2.586 0 50 DFAA 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317.345 2.764 0 50 DFAA O=c1cc(N2CCCCC2)cnn1Cc1cc(F)c(F)cc1F 20821486 BCKWAXCZMCNIKK-UHFFFAOYSA-N 323.318 2.699 0 50 DFAA Cc1ccccc1[C@@]1(O)CCN(Cc2ccccc2C(=O)O)C1 67788144 KZOAOVYUGJWKLJ-LJQANCHMSA-N 311.381 2.787 0 50 DFAA C[C@@H](CN1CCc2ccccc2C1)NCc1cn2ccccc2n1 65384121 IQKDGKPMHRZQNG-INIZCTEOSA-N 320.440 2.871 0 50 DFAA CCN(C)c1ccc(CN2CC3(CCNCC3)C[C@@H]2C)cn1 424385253 WETQJZNYKYIXBF-HNNXBMFYSA-N 302.466 2.502 0 50 DFAA CCCOc1cccc(CN[C@H](C)c2nnnn2C2CC2)c1 252506631 WBVNAVJGBLJFGD-GFCCVEGCSA-N 301.394 2.648 0 50 DFAA CCn1cnnc1[C@H]1CN([C@@H]2CCCc3ccccc32)CCO1 328629642 IKZDCJGFYDCYTM-IAGOWNOFSA-N 312.417 2.749 0 50 DFAA Cc1nc2cc(OCc3nc(C(=O)N(C)C)co3)ccc2s1 12093782 JCZQZZXWDQBLGZ-UHFFFAOYSA-N 317.370 2.874 0 50 DFAA COc1cccc(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 172780162 JUUATYGRKVJQEY-DYVFJYSZSA-N 324.380 2.619 0 50 DFAA COCC[C@@H]1COCCN1c1nc(C(F)F)nc2ccccc12 253427857 DTYXHRIXPJQXGQ-LLVKDONJSA-N 323.343 2.809 0 50 DFAA Cc1ccc(F)c(C(=O)N[C@H](C)Cc2cnccn2)c1Cl 219716109 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DFAA O=C(Nc1cccc2c1OCCO2)N1CCC[C@@H]1[C@@H]1CCCO1 375368067 RMXPRBUNFRSUAI-KGLIPLIRSA-N 318.373 2.633 0 50 DFAA CC(C)CCN(C(=O)NC[C@]1(C)CCC(=O)N1)C1CCCC1 459140411 PPRAJZCEBHEZLB-KRWDZBQOSA-N 309.454 2.655 0 50 DFAA Cc1ccc2nc(CN(C)C(=O)c3c(Cl)cnn3C)[nH]c2c1 584892098 HSZAVLHAPMOZQB-UHFFFAOYSA-N 317.780 2.530 0 50 DFAA O=C(N=c1nc(C(F)(F)F)[nH]s1)c1ccoc1C1CC1 585086529 CGSWNESGOXNZQA-UHFFFAOYSA-N 303.265 2.702 0 50 DFAA O=C(CCN1CCC[C@@H]1c1cn[nH]c1)Nc1cccc(F)c1 585116344 RHCFEBNMQWGRSX-OAHLLOKOSA-N 302.353 2.715 0 50 DFAA C[C@@]1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@]1(F)Cl 606444608 NMEIQOUXAPCRNN-JKSUJKDBSA-N 324.783 2.510 0 50 DFAA C[C@H](CNC(=O)c1cnc2n1CCCCC2)c1nccs1 621953461 NWVNQJHRJITHFO-LLVKDONJSA-N 304.419 2.600 0 50 DFAA Cn1nccc1-c1ccc(N2CCC[C@@H]2c2cccnc2)nn1 641268363 IIJIFZFBZRNNSP-OAHLLOKOSA-N 306.373 2.614 0 50 DFAA Cc1ccc(-c2ccc(C(=O)N[C@@H]3CSC[C@H]3C)cc2)nn1 648390179 BDJQGQZYRXCMNE-BDJLRTHQSA-N 313.426 2.933 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC(C2(O)CC2)CC1 652670835 HLSGCCDDLIKLCK-UHFFFAOYSA-N 302.399 2.673 0 50 DFAA COC(C)(C)CCNC(=O)N(C)[C@H](C)Cc1ncccc1C 670448145 WEWABTPSLKGEIY-CQSZACIVSA-N 307.438 2.778 0 50 DFAA O=C(CC/C=C/c1ccccc1)N[C@@H]1C[C@@H](O)C12CCOCC2 887016805 QAOXEBZDFNGWHN-OCQNNJOQSA-N 315.413 2.526 0 50 DFAA CC1(C)CCN(c2cc(C3CC3)nc(C3CC3)n2)CC[S@@]1=O 894091479 DVNLBAOEFNMJCH-QFIPXVFZSA-N 319.474 2.969 0 50 DFAA COc1ccccc1-c1cn(Cc2nnc(C3CC3)s2)nn1 900545199 SGQCDRBZASOFMR-UHFFFAOYSA-N 313.386 2.731 0 50 DFAA O=C(O)C[C@@H](c1ccccc1)C1CCN(Cc2cn[nH]c2)CC1 901599442 LNMSUPHRIKGZCH-KRWDZBQOSA-N 313.401 2.880 0 50 DFAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CC2(CCOCC2)CC[C@H]1CO 952963740 JXVAQPNIEZNONH-ZACQAIPSSA-N 323.477 2.983 0 50 DFAA COC1(OC)CCOC[C@H]1CCNCc1ccc(C)c(C)c1 952993820 KLFPOXXZQXZYAD-QGZVFWFLSA-N 307.434 2.809 0 50 DFAA C[C@@H]1CCN(c2ccc(F)cc2F)CCN1c1ncccn1 952995617 RSEICWPQOIQZTH-GFCCVEGCSA-N 304.344 2.860 0 50 DFAA Cc1[nH]ccc1C(=O)N(C)[C@H](C)c1ccc2c(c1)OCCO2 1506406664 FZGCTQWEHQBJTA-GFCCVEGCSA-N 300.358 2.928 0 50 DFAA CCc1nn(C)c(NC(=O)COc2ccc(F)cc2F)c1CC 1506410925 YIFMUKUODSUEOG-UHFFFAOYSA-N 323.343 2.841 0 50 DFAA CCN1CC[C@H](CN(CC)C(=O)c2ccc(C(C)C)nc2O)C1 1506428528 XOJDOBVQFBMMKG-AWEZNQCLSA-N 319.449 2.715 0 50 DFAA CCCc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)o1 1529161754 OHPFBVYVJYTVEM-CRAIPNDOSA-N 300.402 2.663 0 50 DFAA CCc1nn(C)c(NC(=O)c2cc(CC(C)C)on2)c1CC 1529197806 WTWNBPZWJXHHDV-UHFFFAOYSA-N 304.394 2.984 0 50 DFAA C[C@H]1COc2ccc(C(=O)NCc3nccc(C(F)F)n3)cc21 1615576168 HDJKTSBEEQWYAY-VIFPVBQESA-N 319.311 2.840 0 50 DFAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccncc1 1615612302 FBRVXUJYCHRGGI-CABCVRRESA-N 311.385 2.522 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)COc1ccccc1)C2 1704343138 UBLQUXNTXWDEJL-AEFFLSMTSA-N 303.402 2.873 0 50 DFAA Cc1cccn2ncc(C(=O)N(C)CCC[C@H]3CCCO3)c12 1772707237 ZVXWKDGNGILSII-AWEZNQCLSA-N 301.390 2.674 0 50 DFAA CCC/C(C)=C/C(=O)N1CCC([C@@H]2CC[C@H](C(=O)O)O2)CC1 1775958312 QQNLLPGFWQQBLK-AMXOMPAFSA-N 309.406 2.604 0 50 DFAA CCN1Cc2ccccc2C[C@H]1C(=O)N1Cc2cnc(C)cc2C1 1857669973 HMVGZILHBBLRDZ-IBGZPJMESA-N 321.424 2.679 0 50 DFAA O=c1c2[nH]ccc2ncn1Cc1csc(-c2ccccc2)n1 1857695993 HQJAPWQVAYMIEP-UHFFFAOYSA-N 308.366 2.896 0 50 DFAA Cc1cc(C(=O)N(C)Cc2ccc(C(=O)O)o2)nn1C(C)(C)C 1875271165 IVVRBLKNEQLGQQ-UHFFFAOYSA-N 319.361 2.510 0 50 DFAA C[C@H]1Cc2cc(CNC(=O)c3ccc4ccn(C)c4n3)ccc2O1 2100545512 TZVZWERJYLGZKQ-LBPRGKRZSA-N 321.380 2.827 0 50 DFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)NC[C@@]12CCCN[C@@H]1C2 2325768857 YXKBXUSTWLVGCM-UXLLHSPISA-N 320.820 2.560 0 50 DFAA CC(C)N1CCC[C@]2(CCCN2C(=O)c2cccc(F)c2)C1=O 2356148527 DJEVTEXFGKLWCI-SFHVURJKSA-N 318.392 2.831 0 50 DFAA COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1 404560 AQHQRGBYUYCWLS-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(N)=O)cc1 441534 HBWOZDUYNKCJAV-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA COc1cc(OC)c(-c2nc(-c3ccncc3)no2)cc1OC 496492 QFVLKNVMGIZJPZ-UHFFFAOYSA-N 313.313 2.824 0 50 DFAA Cc1nc2ccnn2c(N2Cc3cnc(C(C)(C)C)nc3C2)c1C 2356144095 JEYHPQBUXJIHRR-UHFFFAOYSA-N 322.416 2.954 0 50 DFAA CCN1CCN(c2cc(C)nc3c(-c4ccccc4)cnn23)CC1 2336975 IGPYLVRCHUUEHG-UHFFFAOYSA-N 321.428 2.847 0 50 DFAA Cc1nc(Nc2cccc(N3CCN(C)C3=O)c2)c2[nH]ccc2n1 2356147751 NARYYHZQCWTUII-UHFFFAOYSA-N 322.372 2.882 0 50 DFAA Cc1occc1-c1nnc(SCC(=O)Nc2ccccn2)o1 2435115 PSZBVZRRULVKGG-UHFFFAOYSA-N 316.342 2.764 0 50 DFAA C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CC1(Cl)Cl 2872861 RKCBXEYWULMGSE-GFCCVEGCSA-N 302.157 2.980 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)CCSc2ccccc2)C1 2877604 UPNDGFHEFLWHOQ-CQSZACIVSA-N 321.442 2.971 0 50 DFAA Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(O)cc1)N(C)C 4012617 ZUOVSSVFTMRBBJ-QGZVFWFLSA-N 323.400 2.636 0 50 DFAA C[C@H](C(=O)Nc1ccccc1F)n1ncc2ccccc2c1=O 8240845 JMUYNXBWQWLRFB-LLVKDONJSA-N 311.316 2.735 0 50 DFAA CCOc1ccccc1CN(CC)C(=O)[C@H](C)Cn1cccn1 55327465 DQLWBLUJQDHOPM-OAHLLOKOSA-N 315.417 2.967 0 50 DFAA c1ccc(CCc2cn(C[C@H]3COc4ccccc4O3)nn2)cc1 67712852 AFKZVTPHPHNVDV-KRWDZBQOSA-N 321.380 2.903 0 50 DFAA CCCCS(=O)(=O)N[C@@H](c1ccccc1)c1ccncc1 106446637 JVBCZCLYGAPBGT-INIZCTEOSA-N 304.415 2.891 0 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VJPHWSIBRWYPBE-CYBMUJFWSA-N 324.380 2.769 0 50 DFAA C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 6731614 RSCHSTJGWYSDLB-ZANVPECISA-N 301.745 2.542 0 50 DFAA O=C(c1ccc(Cl)o1)N(Cc1cccnc1)C[C@@H]1CCNC1 328627473 GGVLIGIMPWWVEG-CYBMUJFWSA-N 319.792 2.580 0 50 DFAA Cc1noc(C)c1CCCN[C@@H]1CCOC2(CCOCC2)C1 77375809 VKIQAXQZSWSZOS-OAHLLOKOSA-N 308.422 2.542 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](Oc2ccncc2)C1 365515798 VFHVQLIHSJKTMV-MRXNPFEDSA-N 321.380 2.785 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@@H](O)c2cccc(F)c2)s1 218948299 PWAIZHZOPWBONH-HNNXBMFYSA-N 322.405 2.893 0 50 DFAA CO[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3F)on2)C1 332690910 VBQQGVGILXUYAL-LLVKDONJSA-N 319.336 3.123 0 50 DFAA O=C(C(F)F)N1CCCc2c(Br)cccc2C1 373341767 QUEOUZQECWQUIT-UHFFFAOYSA-N 304.134 2.989 0 50 DFAA COCC[C@H]1CCCCN(C(=O)COc2ccccc2OC)C1 375122271 AUSLZTDFDHETGJ-OAHLLOKOSA-N 321.417 2.739 0 50 DFAA CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(C)=O)C1 458939118 JUPUKCPUTASPBE-GVDBMIGSSA-N 323.481 2.761 0 50 DFAA C[C@@]1(O)CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 176701808 CCDRGHWFGHPYOL-QGZVFWFLSA-N 316.788 2.999 0 50 DFAA CCCCCCNC(=O)N1CCNC(=O)[C@H]1c1cccc(F)c1 426697271 CTQZKCZEFPDYDA-OAHLLOKOSA-N 321.396 2.589 0 50 DFAA COC[C@H](NC(=O)c1ccccc1SC)c1ccccn1 220033751 KJMJUEGMWFTPPZ-AWEZNQCLSA-N 302.399 2.921 0 50 DFAA C[C@@H]1CCCN(c2nc(N3CCOCC3)c3ccccc3n2)C1 41148944 BAFLSBVRDDQIQB-CQSZACIVSA-N 312.417 2.703 0 50 DFAA CCNc1ncc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cn1 426395467 XVNZUDHNCMNXOH-MRXNPFEDSA-N 324.428 3.174 0 50 DFAA CNC[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1 179002199 ONONTHZCSHPQLH-SECBINFHSA-N 317.216 2.684 0 50 DFAA CCN(C(=O)CCc1c(C)nn(C)c1C)[C@H]1CCOC(C)(C)C1 82120288 BRDWMGZLLBGDSG-HNNXBMFYSA-N 321.465 2.776 0 50 DFAA COc1cccc(CCNC[C@@H](O)COc2cccc(C)c2)c1 96027660 MKRKUQFXVHCHNY-QGZVFWFLSA-N 315.413 2.576 0 50 DFAA O[C@@H](COc1ccccc1CN1CCCC1)CN1CCCCC1 95504469 VWVZCKPVXDYESS-GOSISDBHSA-N 318.461 2.508 0 50 DFAA CCOC[C@@H]1CCCN1C(=O)C1CCN(Cc2ccco2)CC1 95370272 IPCXUGKOTCYULG-INIZCTEOSA-N 320.433 2.519 0 50 DFAA CC1(NC(=O)Nc2ccc(C(F)(F)F)nc2)CCOCC1 182544634 VAIZOWMGQVRXPU-UHFFFAOYSA-N 303.284 2.791 0 50 DFAA N[C@H]1C[C@H](c2cc(NCCc3ccccc3Cl)ncn2)C1 252527912 DQFKPEGDCZPPLK-JOCQHMNTSA-N 302.809 2.989 0 50 DFAA CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc[nH]2)CC1 183944214 GWGMMSRFNOMJLV-UHFFFAOYSA-N 305.422 2.516 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(C)n1C(F)F 534652066 VVGGYBJAMHLDIB-SNVBAGLBSA-N 311.336 2.684 0 50 DFAA CCc1nc(CN(C)C(=O)N[C@H](c2ccccn2)C(C)C)no1 534649177 MGBVHBMDSVPWSZ-HNNXBMFYSA-N 317.393 2.566 0 50 DFAA CCc1nc(C)c(C(=O)NCc2cc(-c3cccnc3)no2)o1 584901685 KTSCPNOJFYHOAC-UHFFFAOYSA-N 312.329 2.525 0 50 DFAA Cc1cn(CC(=O)N(C)CC(=O)OC(C)(C)C)c2ccccc12 1875252254 BNXXNEPQPWWTNE-UHFFFAOYSA-N 316.401 2.750 0 50 DFAA COc1cccc2c1O[C@@H](C(=O)N1CC(Cc3ccccc3)C1)C2 1875329295 PCOXYFMBTFIEGO-GOSISDBHSA-N 323.392 2.700 0 50 DFAA N[C@H](CNC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 1875349243 RKZLBZUVIVLEGL-HZPDHXFCSA-N 318.804 2.580 0 50 DFAA CC1(C)CC(=O)c2cc(OC[C@@H]3C[N@@]3CC3CC3)ccc2O1 1875382010 NLIJZJPZYWUZFI-ORAYPTAESA-N 301.386 2.903 0 50 DFAA CCc1ccc(CN(Cc2ccncc2)C[C@@H]2CCC(=O)N2)o1 952861372 DSSNNGUAWINFCI-HNNXBMFYSA-N 313.401 2.518 0 50 DFAA COCCN1CC[C@@H](C(=O)Nc2ccc3oc(C)cc3c2)C1 952986208 KABZEYURFDYWOC-CYBMUJFWSA-N 302.374 2.648 0 50 DFAA Cc1ccc(CC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cn1 270610421 FGTDRYJVPHBTOU-OAHLLOKOSA-N 322.767 2.575 0 50 DFAA CCO[C@]1(c2nnc(-c3cccc(OC)c3F)o2)CCOC1 886082304 VCPUSTPJNAVESF-OAHLLOKOSA-N 308.309 2.536 0 50 DFAA O=C(C=C1CCCCC1)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O 1775998194 BDOPQWATSCDIEE-AWEZNQCLSA-N 321.348 2.534 0 50 DFAA CC1=CC[C@H]2CN(C(=O)NCc3ccc4c(c3)OCO4)C[C@H]2C1 1565515209 FUJAEVPOOBVEFZ-LSDHHAIUSA-N 314.385 2.913 0 50 DFAA Cc1ccc(C)c([C@@H](O)CN[C@@H](C)c2nnc3ccccn23)c1 170003048 LCMBYXCICDOEKU-HOCLYGCPSA-N 310.401 2.730 0 50 DFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2 45256 ZQAHKDUZHISWBE-QHHAFSJGSA-N 311.293 2.796 0 50 DFAA biogenic CN(C)c1nc(NCC2CCN(C3CCCC3)CC2)ncc1F 1529158762 KYCGKNOQOGFYDH-UHFFFAOYSA-N 321.444 2.748 0 50 DFAA CCCC[C@@H]1CN(c2cccc(C(=O)O)n2)C[C@H](C2CC2)O1 1529166981 BVDOSOQWRAQLHM-UKRRQHHQSA-N 304.390 2.954 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1(C)C 110608719 SEHJREWRDBTSEB-VHDGCEQUSA-N 305.422 2.988 0 50 DFAA CC(C)C[C@H](NC(=O)/C=C/C(=O)NC1CC1)c1ccccc1 1615548253 FGOBJAGLBVXOBV-OFAQMXQXSA-N 300.402 2.725 0 50 DFAA CN(CCOc1cccc(Cl)c1)C[C@H]1CCC(=O)N(C)C1 1775980507 CDPUYDNXRSUMLA-CYBMUJFWSA-N 310.825 2.519 0 50 DFAA Cc1cc(C)c(NC(=O)Cn2ncc3ccccc3c2=O)c(C)c1 5453232 CTJVGILZSZWZIH-UHFFFAOYSA-N 321.380 2.960 0 50 DFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C)c2)cc1 5600857 KRBJNHMOQDJZSN-UHFFFAOYSA-N 319.382 2.583 0 50 DFAA Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)s1 12590196 OSEOZZOXPKITGB-ZDUSSCGKSA-N 320.458 2.854 0 50 DFAA CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCC2(CC1)OCCO2 16605110 XPGRBOVRZYSPAZ-MRXNPFEDSA-N 319.401 2.518 0 50 DFAA CCN1CCC(N2CCN(c3cc(C)ccc3C)CC2)CC1 16663308 XUBSOGKQTVLJNW-UHFFFAOYSA-N 301.478 2.910 0 50 DFAA O=C1C[C@H](NCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 18143606 DBOGRMSHPOLYIO-HNNXBMFYSA-N 314.772 2.762 0 50 DFAA CC(C)(C)C(=O)N[C@H](N1CCCC1)C(Cl)(Cl)Cl 19315794 ABNGIHMHYKLKFC-MRVPVSSYSA-N 301.645 2.941 0 50 DFAA CO[C@H]1CCCN(C(=O)CCc2nc3ccc(C)c(C)c3[nH]2)C1 19853077 PZMBNRYMEZGCKT-AWEZNQCLSA-N 315.417 2.750 0 50 DFAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(F)c1OC 1857669210 GQUYGZDYUAYQAJ-MNRXQERYSA-N 321.348 2.692 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 246572030 BTFPHOPJRSBLDX-GDLCADMTSA-N 312.335 2.616 0 50 DFAA Cc1cnc([C@H](C)NC(=O)c2cc(Br)cn2C)o1 226613285 WNTKJKGODQMVRJ-QMMMGPOBSA-N 312.167 2.575 0 50 DFAA C[C@@H]1CCCN(C(=O)Cc2coc(-c3cccs3)n2)[C@@H]1CN 237412618 NIQMNVWBNRUVGK-DGCLKSJQSA-N 319.430 2.531 0 50 DFAA CCc1noc(C)c1CNC[C@@H]1CCCO[C@H]1c1cnn(C)c1 657475297 NIYPMAREUMJIBE-SUMWQHHRSA-N 318.421 2.536 0 50 DFAA C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 373838394 YLLRVAOSABLNMC-NVXWUHKLSA-N 324.465 2.815 0 50 DFAA COc1ccccc1-c1noc(CCC(=O)Nc2ccccn2)n1 4710620 IZUTTYRKVRXDRO-UHFFFAOYSA-N 324.340 2.712 0 50 DFAA c1cncc(Oc2ccccc2Cn2cc([C@@H]3CCCN3)nn2)c1 2325764877 NWXUIXGTCQXBMY-INIZCTEOSA-N 321.384 2.938 0 50 DFAA CCCC1(N)CCN(Cc2cccc3c2OCCCO3)CC1 2325777700 VYYPFJRFINKILB-UHFFFAOYSA-N 304.434 2.941 0 50 DFAA CO[C@H](C)Cc1nc([C@H]2C[C@H](N(C)C)C2)n(-c2ccccc2)n1 2325849658 WYMJIMHMRQTPQW-IIAWOOMASA-N 314.433 2.652 0 50 DFAA CCN(CC)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1 253071 WHLCWCJRNRFERW-UHFFFAOYSA-N 303.358 2.657 0 50 DFAA Cc1cc(C)cc(OCC(=O)NCc2ccc3c(c2)OCO3)c1 260851 RTLGRLDWXGKFSJ-UHFFFAOYSA-N 313.353 2.727 0 50 DFAA COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(C)=O 4020396 SJMXPJVQCGHRGM-NXHRZFHOSA-N 303.402 2.910 0 50 DFAA biogenic O=C(NC1Cc2ccccc2C1)c1ccc2c(c1)OC(F)(F)O2 8678603 OKCJNSDIVCXYAL-UHFFFAOYSA-N 317.291 2.905 0 50 DFAA CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N1Cc3ccccc3NC1=O)C2 100380961 NWXCDQHBVVPPTL-WDNDVIMCSA-N 315.373 2.796 0 50 DFAA in-vitro O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cccc2c1OCO2 115104145 SPMKQRZJHFHMEF-CQSZACIVSA-N 324.380 2.814 0 50 DFAA Cc1cc(F)ccc1S(=O)(=O)N1c2ccnn2[C@H](C)C[C@H]1C 230059672 GEDLDOUFHYDQFB-VXGBXAGGSA-N 323.393 2.879 0 50 DFAA Cn1cc(CN2CCC[C@H](c3ccn[nH]3)C2)c(-c2ccncc2)n1 121271361 CKWWKHYTUVLADT-HNNXBMFYSA-N 322.416 2.585 0 50 DFAA CC1(C)CN(C(=O)c2cccnc2SC(F)F)CCO1 121729842 IDVFBYGNRSJBCU-UHFFFAOYSA-N 302.346 2.647 0 50 DFAA Cc1cc(CN2CCC[C@H](CN3CCC(C)CC3)C2)ncn1 428404650 RDKAWVSSMBDJJC-QGZVFWFLSA-N 302.466 2.729 0 50 DFAA CC[C@H](C)C[C@@H](CC)N[C@@H]1CCCN(c2nccnc2O)C1 328629876 ISPFIYQCHOLKBX-RRFJBIMHSA-N 306.454 2.955 0 50 DFAA COc1cccc(-c2[nH]nc3c2CN(Cc2cc(C)[nH]n2)CC3)c1 12317790 ANOQOQITHHWYFI-UHFFFAOYSA-N 323.400 2.675 0 50 DFAA O=C(Nc1cccc(O)c1)[C@@H]1CC(c2ccccc2F)=NO1 6738400 QUWZGTYAKVGRNU-HNNXBMFYSA-N 300.289 2.663 0 50 DFAA CCc1ncc(S(=O)(=O)N[C@@H](CC)c2ccc(C)cc2)[nH]1 70421984 JJBYWUZESVKEHG-ZDUSSCGKSA-N 307.419 2.710 0 50 DFAA O=C(N[C@@H](Cc1ccccc1F)C(=O)O)OCc1ccccc1 34285986 GYJREHMTTLYKRJ-HNNXBMFYSA-N 317.316 2.748 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)[nH]n1 71315636 ROLULSBTHSHNMG-LLVKDONJSA-N 310.401 2.798 0 50 DFAA C[C@@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)n1ccnc1 72474395 RMVDTVJZNRLGBS-AWEZNQCLSA-N 315.417 2.578 0 50 DFAA CC(C)c1cc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc(O)n1 121542937 CNJADAPHRFICKT-MAZHCROVSA-N 318.417 2.796 0 50 DFAA N[C@@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 157788653 KKBSYZGUGGBCHD-SNVBAGLBSA-N 305.765 2.558 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cc(F)ccc1F 262484335 YKQRQFMVVFQYTB-VQISRLSMSA-N 323.339 2.752 0 50 DFAA C[C@@H](CCc1ccccc1)NC(=O)c1cnn(C)c1-n1cccc1 30858885 RSGNJRAZEVANBG-HNNXBMFYSA-N 322.412 2.962 0 50 DFAA COc1cccc(NC(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1 285766303 RTADFVOLNLAPKT-DZGCQCFKSA-N 303.406 2.786 0 50 DFAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1nc2ccccc2s1 242047991 VRVHZBDQJZZYHE-UHTWSYAYSA-N 301.415 2.919 0 50 DFAA O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@@H](N2CCCC2)C1 339622315 HCJXBJHDBBUPCK-KZNAEPCWSA-N 313.445 2.812 0 50 DFAA Cc1nccn1CC(=O)Nc1cnn(CC(C)C)c1C(C)C 457695451 SQKZSIFHYUYQFI-UHFFFAOYSA-N 303.410 2.806 0 50 DFAA CC(C)c1nccn1[C@H](C)C(=O)N1CCC2(CCCO2)CC1 71751462 DZPFQIQTOVJQLK-CQSZACIVSA-N 305.422 2.739 0 50 DFAA COCCN(Cc1cccnc1)Cc1ccccc1NC(C)=O 289436192 LISBQWPGCIKEDZ-UHFFFAOYSA-N 313.401 2.689 0 50 DFAA O=C(Cc1ccsc1)NC[C@@H]1CCCN(c2ccccn2)C1 222544202 FWULNORNYFQXJI-HNNXBMFYSA-N 315.442 2.718 0 50 DFAA Cc1nc(C)c(CC(=O)Nc2nnc([C@H]3CCCO3)s2)s1 40266522 CEWDUHHUFUZAKI-SECBINFHSA-N 324.431 2.644 0 50 DFAA Cc1cc(O[C@H](C)C(=O)N2CC[C@H](CN)C2)ccc1C(C)C 178586513 NENIOYYDGPVNJT-HUUCEWRRSA-N 304.434 2.693 0 50 DFAA Cc1ccsc1CN1CCC(CO)(CN2CCCC2)CC1 220340246 BKJIVHHQTTWQMX-UHFFFAOYSA-N 308.491 2.727 0 50 DFAA Cc1ccc2nc(CNC(=O)CC[C@H](C)N3CCCC3)[nH]c2c1 426544501 UZNUAKNMOXHHEK-AWEZNQCLSA-N 314.433 2.752 0 50 DFAA Cc1nc(CN2CCN(Cc3coc(C(C)C)n3)CC2)cs1 97813632 KXAGPKFOEZMTJE-UHFFFAOYSA-N 320.462 2.881 0 50 DFAA O=C(NCc1ccoc1)N1CCCC[C@@H]1CCn1cccn1 426521198 HYPVLRWDAGFSNI-OAHLLOKOSA-N 302.378 2.631 0 50 DFAA CN(Cc1ccc2nonc2c1)c1nccc(-c2cccnc2)n1 96136501 REBWCLORVVVOTK-UHFFFAOYSA-N 318.340 2.711 0 50 DFAA O=C(O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1 95517491 YJOAKOAHEUJRIR-UHFFFAOYSA-N 316.332 2.967 0 50 DFAA COc1ccc([C@@H]2CN(Cc3ccncc3)C[C@H]2N(C)C)cc1 95519319 UHZDUKOLHOAJGM-RBUKOAKNSA-N 311.429 2.620 0 50 DFAA O=C1C[C@H](c2ccccc2)CN1Cc1nnc(-c2cccnc2)o1 95522754 ZVSGHJACBUCKSR-HNNXBMFYSA-N 320.352 2.648 0 50 DFAA Cc1cccc2nc(N3CCC(N4CCOCC4)CC3)sc12 623051445 BAAFSJKFYRAACO-UHFFFAOYSA-N 317.458 2.906 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCC(c2ccncn2)CC1 298366631 PEOQUTUCXDWGAW-AWEZNQCLSA-N 311.385 2.650 0 50 DFAA Cc1cnc(NC(=O)CC2(n3cccc3)CCOCC2)s1 253411696 OYRYNSAHNHFFQN-UHFFFAOYSA-N 305.403 2.788 0 50 DFAA Cc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)n1C 184162941 CHFPGHPVBIWXFV-GFCCVEGCSA-N 307.444 2.720 0 50 DFAA CC[C@H](C(=O)NCC1(N(C)C)CCCCCC1)n1cccn1 534673756 YUBCRYHOMAWEIN-OAHLLOKOSA-N 306.454 2.605 0 50 DFAA CC[C@H](C)[C@H](NC(=O)Nc1ccc2sc(C)nc2c1)C(N)=O 299800935 UCJMTJDUINLPQZ-SDBXPKJASA-N 320.418 2.626 0 50 DFAA CC(=O)Nc1nc(C(=O)N2CC[C@H](C)C3(CCC3)C2)cs1 271274786 BHPRHDSKBPHVEU-JTQLQIEISA-N 307.419 2.754 0 50 DFAA CC(C)(C)OC(=O)c1c[nH]nc1NC(=O)CCC1CCOCC1 685942610 XXWHSDYRKHRCTM-UHFFFAOYSA-N 323.393 2.510 0 50 DFAA CCc1ccnc(C(=O)N2CC[S@](=N)(=O)c3ccccc32)c1 952995541 PLDBAUJAJIUYLO-QFIPXVFZSA-N 315.398 2.710 0 50 DFAA CC(C)[C@@](F)(CNC(=O)[C@@H]1CCCC(F)(F)CC1)C(=O)O 1875291892 PBFNRYCBBPWQOO-YGRLFVJLSA-N 309.328 2.767 0 50 DFAA CC1(C(F)(F)F)CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)N2)CC1 1875290548 OTEHHIAYKZNBSX-RYUDHWBXSA-N 304.356 2.708 0 50 DFAA C1CCC(CCc2noc(-c3noc4c3CNCC4)n2)CC1 1875283026 BSDYATLNIZREMI-UHFFFAOYSA-N 302.378 2.883 0 50 DFAA CCCNC(=O)[C@@]12C[C@H](n3cc(-c4ccc(C)cc4)nn3)[C@@H]1C2 1875323084 WKBXUZKSWULBJT-ZVZYQTTQSA-N 310.401 2.731 0 50 DFAA O=C1c2ccccc2C(=O)N1CCCS[C@H]1CCCOC1 272469032 PBHHOPHYUYVCCN-LBPRGKRZSA-N 305.399 2.585 0 50 DFAA CC(=O)N1CCC(CNC2CCC(C)(N3CCCC3)CC2)CC1 886524899 SZTNETQSJWRYMS-UHFFFAOYSA-N 321.509 2.632 0 50 DFAA CCc1c(NC(=O)Cc2ccc(C=O)[nH]2)cnn1CCC(C)C 1775992265 RGPXRUUBTRFJBQ-UHFFFAOYSA-N 316.405 2.813 0 50 DFAA Cc1ccc(-c2cnc(CNS(=O)(=O)CCC3CC3)[nH]2)cc1 1775991041 CLROBFFYNYABLA-UHFFFAOYSA-N 319.430 2.605 0 50 DFAA CC(C)O[C@H]1C[C@@H](NC(=O)Nc2nnc(C(F)(F)F)s2)C1 1465167385 GXNGVWPFZMLEPQ-KNVOCYPGSA-N 324.328 2.634 0 50 DFAA CC(C)c1ccc(C(=O)NCCc2cn3cccnc3n2)cc1 585128850 PEIXKJRLVOFPLS-UHFFFAOYSA-N 308.385 2.825 0 50 DFAA C[C@H](c1cnn(C)c1)c1nc(-c2coc(C(F)(F)F)n2)no1 585120356 JHWPEEGCLSNEQP-ZCFIWIBFSA-N 313.239 2.629 0 50 DFAA O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)N1CCC[C@H](c2cn[nH]c2)C1 170063538 IXIQDYMHUHLFPV-OKDNKWQNSA-N 322.412 2.637 0 50 DFAA O=S(=O)(Cc1csc([C@H]2CCCN2)n1)c1ccccc1 170091438 GEWQMXANSBVLPE-CYBMUJFWSA-N 308.428 2.542 0 50 DFAA NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 170611189 VPAKRODMCGWPPY-CVEARBPZSA-N 300.402 2.728 0 50 DFAA C[C@@H]1CN(CCC(=O)c2ccccc2)CC2(CCOCC2)O1 279953171 XWVLORHIMSVGBG-OAHLLOKOSA-N 303.402 2.529 0 50 DFAA Cc1ccoc1C(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 186613274 DEOYTXHTJGVOIU-INIZCTEOSA-N 313.401 2.768 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N1CCC[C@H](c2nnc(N)o2)C1 636197985 OOTKCONEDBYXFM-NSHDSACASA-N 318.377 2.696 0 50 DFAA Cn1cccc1[C@H]1CCCCN1C(=O)[C@@H]1CCCc2nc[nH]c21 408111492 FHARKMQWRGFUHO-CZUORRHYSA-N 312.417 2.922 0 50 DFAA CC(C)(C)OC(=O)CN(C[C@H](O)c1ccc(F)cc1)C1CC1 225401492 GNESEOINGZQWPM-HNNXBMFYSA-N 309.381 2.665 0 50 DFAA CC(C)Cn1cc(NC(=O)c2cn(C)nc2-c2ccco2)cn1 669310891 KDVSKJILHPOQLY-UHFFFAOYSA-N 313.361 2.785 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cc(F)cc(Br)c1 124754111 IUIHHYFCLFQNEF-QPUJVOFHSA-N 315.186 2.540 0 50 DFAA CCOc1cccc(CC(=O)N2CC(c3ccccc3F)C2)n1 1614998075 WEJURPAKGVDNEW-UHFFFAOYSA-N 314.360 2.788 0 50 DFAA O=C(COCc1ccccc1Cl)N1CCC[C@H]1c1ncon1 1615576001 JBPPTIHILQZVNR-ZDUSSCGKSA-N 321.764 2.603 0 50 DFAA Nc1nc(SCC(=O)c2ccc(Cl)cc2Cl)n[nH]1 5730978 UYGDSUQMIZOLDG-UHFFFAOYSA-N 303.174 2.669 0 50 DFAA Cc1cccnc1CNC(=O)c1coc(COc2ccccc2)n1 11937280 MUAMPUVOCLLKCP-UHFFFAOYSA-N 323.352 2.887 0 50 DFAA COc1ccc(-c2noc(CN3CCC[C@H](C(C)=O)C3)n2)cc1 12458370 RTFGQDFVKUWXFF-AWEZNQCLSA-N 315.373 2.546 0 50 DFAA Fc1ccc(-c2nc(CN3C[C@@H]4CC[C@H](C3)N4)co2)cc1F 631853123 OVMPVHXWRMOKSM-TXEJJXNPSA-N 305.328 2.556 0 50 DFAA CC(C)Oc1cncc(C(=O)N2CCC(c3ncc[nH]3)CC2)c1 332441591 IEGCBJZRCUOWEU-UHFFFAOYSA-N 314.389 2.612 0 50 DFAA Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H](C)CC(C)(C)O 253425653 VMVBFSXCAITBRT-VIFPVBQESA-N 321.402 2.615 0 50 DFAA COc1ccccc1-c1noc([C@@H](C)NC2CCOCC2)n1 372361570 ZOGKAOQPJQAQKX-LLVKDONJSA-N 303.362 2.575 0 50 DFAA Cc1nc([C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](C)O)cs1 585130040 GAENXGVSHDHUFM-PSLIRLAXSA-N 324.833 2.886 0 50 DFAA Cn1cc([C@@H](NC(=O)c2cnn(C3CCC3)c2)C(C)(C)C)cn1 934127781 POIUKNBACCUWFO-OAHLLOKOSA-N 315.421 2.859 0 50 DFAA O=C(NCC1(CO)CCOCC1)c1cc(Cl)cc(Cl)c1 151691524 MBLMXVKKMVTXPB-UHFFFAOYSA-N 318.200 2.512 0 50 DFAA O=C(Cc1n[nH]c2ccccc12)Nc1nc(C(F)(F)F)co1 2100483378 PCEQMTNMCZPNJM-UHFFFAOYSA-N 310.235 2.751 0 50 DFAA CCCC[C@H](C(N)=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 2325763668 ZRXCKPZFNYNTPA-CZUORRHYSA-N 314.433 2.786 0 50 DFAA Cn1ncc2c1CC[C@@H](F)[C@@H]2NC1CC2(CCC(CO)CC2)C1 2325777821 IGOAAKKXIUGLLO-PVGFGXFNSA-N 321.440 2.666 0 50 DFAA Cn1c(O)nnc1C1CN(Cc2ccc(-c3ccccc3)cc2)C1 2325789927 XJBPVFPSNTVURY-UHFFFAOYSA-N 320.396 2.787 0 50 DFAA O=C(NC[C@H]1CNCc2ccccc21)c1ccc2cnccc2c1 2325839835 GSEWXYHKHVRECE-GOSISDBHSA-N 317.392 2.852 0 50 DFAA c1csc(-c2csc3ncnc(N4CCNCC4)c23)c1 872772272 SCJJXIFVFXXILP-UHFFFAOYSA-N 302.428 2.829 0 50 DFAA CC1(C)CNC(=O)[C@@H]1OC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 953096183 DSGSMOCMSLAZGN-KFWWJZLASA-N 301.386 2.638 0 50 DFAA Cc1ccc(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1C 204567 ZWKKZAXXSWXQLZ-AWEZNQCLSA-N 318.270 2.724 0 50 DFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1OCC 310979 NVJJGONSAROQIK-OAHLLOKOSA-N 318.373 2.619 0 50 DFAA COc1cccc(C2=NO[C@H](C(=O)NCCc3ccccc3)C2)c1 5029537 INMMPRKMFRHZSQ-SFHVURJKSA-N 324.380 2.547 0 50 DFAA biogenic O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccccc1F 5388211 UJBZAVNLDUKFDH-UHFFFAOYSA-N 323.327 2.688 0 50 DFAA CCS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 12470694 IYRWWYBHEMIMET-ZDUSSCGKSA-N 317.401 2.959 0 50 DFAA CCS(=O)(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12470700 IYRWWYBHEMIMET-CYBMUJFWSA-N 317.401 2.959 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)sc1C 13519032 VJRNYQQEIBGDIP-GFCCVEGCSA-N 310.444 2.721 0 50 DFAA Cc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)c(F)c1 15565269 IDVATQWNVSQOKA-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA Cc1c[nH]c(CNC(=O)Nc2nnc(-c3cccs3)s2)n1 23214326 SXLWETKCDCNZKJ-UHFFFAOYSA-N 320.403 2.620 0 50 DFAA O=C(Nc1cccc(O)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 32089926 ZBXORWVXJJUPHZ-LLVKDONJSA-N 314.316 2.523 0 50 DFAA Ic1ccc(COC2CCNCC2)cc1 42782966 HGGUIGABMNLJTI-UHFFFAOYSA-N 317.170 2.560 0 50 DFAA CCc1c(C(=O)Nc2nccs2)nnn1Cc1ccccc1 65364119 UCSLTHSSLQJBRQ-UHFFFAOYSA-N 313.386 2.598 0 50 DFAA Cc1cccc([C@H](c2nc(C)nn2-c2ccccn2)N(C)C)c1 65375816 UYJLMWNOSYRDMQ-QGZVFWFLSA-N 307.401 2.930 0 50 DFAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(O)cc1 67674514 MNMYXLYLLKYWFM-OAHLLOKOSA-N 310.397 2.672 0 50 DFAA CCCn1cnnc1CNc1cc(CC)nc2c(C)c(C)nn12 72419906 QCTQPRWLQZKYCB-UHFFFAOYSA-N 313.409 2.522 0 50 DFAA Cc1cc(NCc2cc3ccc(F)cc3[nH]c2=O)n2nccc2n1 72435515 ZVSQOEQUUMPCGO-UHFFFAOYSA-N 323.331 2.630 0 50 DFAA Cc1noc2ncnc(N(C)Cc3ccc(-n4cccn4)cc3)c12 77320861 XOJCLBYIHNOJMW-UHFFFAOYSA-N 320.356 2.748 0 50 DFAA Cc1csc(SCC(=O)N2CCC[C@H](c3ncc[nH]3)C2)n1 77472541 XCLAXEKBZVBFQC-NSHDSACASA-N 322.459 2.673 0 50 DFAA CCCc1nc(C(=O)N(C)Cc2nncn2C(C)C)cs1 91664776 RXYIRGFIBJKODP-UHFFFAOYSA-N 307.423 2.540 0 50 DFAA CCc1noc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n1 95372551 DKZYBEAJQXLMCW-CQSZACIVSA-N 315.373 2.710 0 50 DFAA CCc1ncc(C(=O)N[C@H](CC)c2nc(C)c(C)s2)cn1 95388406 WMEZNZJEOQCNKB-GFCCVEGCSA-N 304.419 2.993 0 50 DFAA O=C(O)Cn1nc(C2CCCC2)nc1[C@H]1Cc2ccccc2O1 97425614 VHJMODBTVRYQSZ-CQSZACIVSA-N 313.357 2.697 0 50 DFAA O=C(c1cccnc1-c1cccc(CO)c1)N1C[C@H]2CC[C@@H]1C2 97772761 FTGRFICTQQAFGZ-XJKSGUPXSA-N 308.381 2.865 0 50 DFAA O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCO[C@@]2(CCSC2)C1 110689791 BWAHRQBWWLQAAE-BWJWTDLKSA-N 324.490 2.777 0 50 DFAA Cc1nc(C[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)no1 111213139 WVNHWAQTLAHHRK-AWEZNQCLSA-N 313.401 2.768 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 156450558 VBANRYOBOFSYGZ-UKRRQHHQSA-N 319.424 2.625 0 50 DFAA Cc1ccc(CC(=O)N2CCc3ccccc3[C@H]2CO)s1 170084005 WOWNAGBZJCKSTM-MRXNPFEDSA-N 301.411 2.717 0 50 DFAA COc1cc(OC)c(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1F 170594257 BSJRKZDHNLMERV-QMMMGPOBSA-N 321.352 2.925 0 50 DFAA CCOc1c(F)cccc1C(=O)Nc1cccc(C(N)=O)c1 173148524 LTUYRELPTNKGTA-UHFFFAOYSA-N 302.305 2.576 0 50 DFAA Cn1cncc1CC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 185912363 XTDUJWKJXFXNGA-CQSZACIVSA-N 319.792 2.646 0 50 DFAA C[C@@H](N[C@H](C)c1nnnn1C)c1ccc(Cl)cc1Cl 189735231 ZQKISCCDCMZJFE-HTQZYQBOSA-N 300.193 2.929 0 50 DFAA C[C@@H]1CN(C(=O)c2ccncc2C(F)(F)F)CC(C)(C)O1 192189669 GMYBLGIQZOIAGL-SECBINFHSA-N 302.296 2.740 0 50 DFAA Cc1ncc(-c2ccc(NC(=O)[C@H]3CCCCC(=O)N3)cc2)o1 193758133 CGUVEBOJCQGRMV-CQSZACIVSA-N 313.357 2.647 0 50 DFAA Cn1ccnc1[C@@H](O)C1CCN(CCCc2ccccc2)CC1 215905619 YRJLHGRHTACATG-SFHVURJKSA-N 313.445 2.798 0 50 DFAA CC(C)Cn1cncc1CNC(=O)[C@H]1CCc2ccccc2C1 220624598 VJUDRLYYMAFKLH-KRWDZBQOSA-N 311.429 2.960 0 50 DFAA O=C(O)c1cccc(C(=O)NCc2coc(-c3ccccc3)n2)c1 225482773 WEVAOTQTDLRWRA-UHFFFAOYSA-N 322.320 2.970 0 50 DFAA COc1c([C@@H]2CCCN2C[C@@H](O)c2ccccc2)c(C)nn1C 229510190 MADYBCYGPJZGMX-JKSUJKDBSA-N 315.417 2.608 0 50 DFAA O=C(O)[C@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 238081534 KNTOAPSQTDANCK-NSHDSACASA-N 321.402 2.527 0 50 DFAA O=C(O)c1cc2cc(NC(=O)[C@@H]3CCCOC3)ccc2s1 238208745 UXQBBTIVJYMFAB-SECBINFHSA-N 305.355 2.965 0 50 DFAA COc1ccnc(I)c1C(F)(F)F 238384903 OESRMRPKJZJUIP-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA Fc1ccc(I)c(Br)n1 238641112 LOYNZSULNQBXTP-UHFFFAOYSA-N 301.884 2.588 0 50 DFAA CCOC(=O)[C@@H](NCc1nc2c(F)cccc2n1CC)C1CC1 242140798 WPIPUDPOHVABEV-HNNXBMFYSA-N 319.380 2.627 0 50 DFAA COc1cccc([C@@H]2CCN2CC(=O)NC2CCCCC2)c1 243892402 AHUZVCXNGZDSRQ-KRWDZBQOSA-N 302.418 2.891 0 50 DFAA Cc1nc(NCc2cc(C3CC3)on2)cc([C@H]2C[C@@H](O)C2)n1 244899553 ZLQPPKDRXAIVJO-BJHJDKERSA-N 300.362 2.501 0 50 DFAA CC[C@H](C)Oc1cc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)ccn1 248727855 CYSSYWIUDDQXJE-VBNZEHGJSA-N 318.417 2.946 0 50 DFAA CNC(=O)c1cccc(NC(=O)Nc2cccc3ccn(C)c23)n1 252498928 RQYWMCVQYUMNFZ-UHFFFAOYSA-N 323.356 2.577 0 50 DFAA Cc1coc(-c2cc(NC(=O)N3CC[C@](C)(O)C3)ccc2C)n1 252527732 DFGIYBYBDDCNIJ-KRWDZBQOSA-N 315.373 2.947 0 50 DFAA O=C(Cc1noc2ccccc12)N1CCCC2(CCOCC2)C1 266270054 XOCNUNFXOPKDQS-UHFFFAOYSA-N 314.385 2.790 0 50 DFAA Cc1ccnc(-n2nc(C)cc2NC(=O)[C@H]2CCCO[C@H]2C)c1 278580269 YCGYGKLYZMJFKQ-KBPBESRZSA-N 314.389 2.638 0 50 DFAA COCCC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC1 299744483 SOFHPKXXXYXNIF-HOCLYGCPSA-N 321.392 2.836 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccoc1C 328620669 HGSSTTNRNUOHRK-GDBMZVCRSA-N 317.389 2.541 0 50 DFAA CC(C)[C@@H]1C[C@@H](CC(=O)NCc2cccnc2N(C)C)CCO1 330789209 RTBVOMCNRWDECA-HOCLYGCPSA-N 319.449 2.605 0 50 DFAA CC(=O)N1CCC(c2nc(Cc3ccccc3F)no2)CC1 330903935 LTHQWNQVYHNOET-UHFFFAOYSA-N 303.337 2.525 0 50 DFAA CNc1nc(C)cc(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)n1 333788848 XCPPVIOASAYUHX-OAHLLOKOSA-N 316.449 3.258 0 50 DFAA CC(C)Cn1cnnc1[C@@H]1CCCN1c1ncnc2[nH]ccc12 363241160 CXNQKDMONPZEPX-ZDUSSCGKSA-N 311.393 2.547 0 50 DFAA C[C@H](ONC(=O)N1CC[C@@H](c2nccn2C)C1)c1ccccc1 378112451 FETWAWJSCMNCQP-DZGCQCFKSA-N 314.389 2.612 0 50 DFAA CC(C)n1cc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cn1 408235478 DBSHBCMWMLZFLU-HUUCEWRRSA-N 311.451 2.711 0 50 DFAA O=C(NC[C@H]1CCOC1)c1ccc(-c2ccc3nc[nH]c3c2)cc1 426361644 DAVGSBLJSHOVMK-CYBMUJFWSA-N 321.380 2.996 0 50 DFAA Cn1c(C(=O)NCC[C@H]2CCOC2)cc2cccc(Cl)c21 426431381 SDZBNBKSERQNHX-NSHDSACASA-N 306.793 2.988 0 50 DFAA CCN(Cc1ccncc1)C(=O)N[C@H](C)c1nc(C(C)C)no1 426495542 APPNOXDOPCINKF-GFCCVEGCSA-N 317.393 2.881 0 50 DFAA Cc1ccc(C)c(OCCN(C)C(=O)NC[C@H]2CCCCO2)c1 426707362 FXWBHPFODVGHLW-MRXNPFEDSA-N 320.433 2.893 0 50 DFAA CNCCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cs1 434659704 TULRYKDGYUAKAX-UHFFFAOYSA-N 301.415 2.802 0 50 DFAA COCc1nc(C)c(CNC(=O)c2cc(C)nc(C)c2)s1 534655239 IIMPJHZZFBNYLP-UHFFFAOYSA-N 305.403 2.540 0 50 DFAA Cc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)nn1C 614467267 VCGCQVZRCXIHHH-UHFFFAOYSA-N 311.307 2.720 0 50 DFAA COC[C@@H](NC(=O)c1nccnc1C)c1cccc(Cl)c1 614955165 ITEGTMVNMOLBOW-CYBMUJFWSA-N 305.765 2.556 0 50 DFAA O=C(NCc1ccccc1CC(F)(F)F)NC[C@@H]1CCCO1 624338743 CBDBPZUXOUMLFC-ZDUSSCGKSA-N 316.323 2.770 0 50 DFAA Cc1ncc(CC(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)o1 639665588 ZPGSXUBJBKQRNH-LRDDRELGSA-N 300.358 2.514 0 50 DFAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2 670456122 MCUNSGJUBURTSK-HOCLYGCPSA-N 306.837 2.825 0 50 DFAA Cc1ccc(CC(=O)NCc2nc(C(F)F)no2)cc1Cl 823189061 RIUAEGCJKSEBFP-UHFFFAOYSA-N 315.707 2.828 0 50 DFAA C[C@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccsc2[C@@H]1C 882190022 ZHCQDVKFRAKIFC-QWRGUYRKSA-N 318.398 2.605 0 50 DFAA CCO/C=C/[C@@](O)(CNCc1cccc(C)c1)C(F)(F)F 928995698 HSCVUTIXZZLHNC-HSBSLETESA-N 303.324 2.928 0 50 DFAA COc1ccccc1-c1ccc(N2CCC[C@H](CCO)C2)nn1 952881109 FATYUWFPZCCGSB-CQSZACIVSA-N 313.401 2.751 0 50 DFAA COc1cccc(C)c1C(=O)NCc1ncc(C)c(OC)c1C 952980482 XECKXLNYMMRFDR-UHFFFAOYSA-N 314.385 2.954 0 50 DFAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)CC2CCCC2)C1=O 952986730 AUFAMOUIJZAXLU-LLVKDONJSA-N 315.373 2.650 0 50 DFAA CC(C)(C)C(=O)N1C[C@@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1 1614420406 DBBJJWKGCANLIC-YVEFUNNKSA-N 303.406 2.873 0 50 DFAA O=C(NCc1nc2cc(F)ccc2o1)c1onc2c1CCCC2 1614608524 RKFVXJORCKPQEX-UHFFFAOYSA-N 315.304 2.764 0 50 DFAA CN(CCCC(=O)O)Cc1cnn(Cc2ccccc2Cl)c1 1615548810 JITKWTNXZQIMBF-UHFFFAOYSA-N 321.808 2.881 0 50 DFAA CC(C)(C)OC(=O)N1CCn2ncc(-c3ccncc3F)c2C1 1774958394 HTHVQPSQZCUZRW-UHFFFAOYSA-N 318.352 2.835 0 50 DFAA COc1ccccc1-c1nc(CN[C@@]23CCC[C@H]2NCC3)co1 1775962611 VTBXXATZOOPMQT-SJLPKXTDSA-N 313.401 2.724 0 50 DFAA Cc1nc(CN2CCN(c3ccc(F)cn3)[C@H](C)C2)cs1 1857692318 ZCYJLQQKXZDGSP-LLVKDONJSA-N 306.410 2.696 0 50 DFAA COc1ccc(-c2cc(N3C[C@@H](CO)C[C@@H](C)C3)ncn2)cc1 1875275809 UGFSGPWSPWNRCJ-KGLIPLIRSA-N 313.401 2.607 0 50 DFAA Cc1nc(NC(=O)c2nc(-c3ccc(F)cc3)[nH]c2C)ns1 2100542800 FPQJUDYMBZBVIQ-UHFFFAOYSA-N 317.349 2.936 0 50 DFAA O=C(O)[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CCO1 2325752265 RSGSXJYVWVFYEV-KRWDZBQOSA-N 313.353 2.764 0 50 DFAA Cc1nn(C)cc1CCNCc1cc2c(O)cccc2s1 2325761985 ARVHRZNPKGPFEH-UHFFFAOYSA-N 301.415 2.981 0 50 DFAA CN(CC[C@H](O)c1cccs1)c1nc2ccccc2c(=N)[nH]1 2325805926 FGNPIINYQFUNFG-ZDUSSCGKSA-N 314.414 2.664 0 50 DFAA Cc1c(CN2C[C@@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C 757527 FFCTTZRYHAYDSQ-GJZGRUSLSA-N 313.445 2.962 0 50 DFAA O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(Cc2ncccn2)C1 343692497 UCFSGALJCUKYPG-FZMZJTMJSA-N 323.318 2.803 0 50 DFAA CCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C)cc2C1=O 1164451 BPBVLXQUWHJDIJ-UHFFFAOYSA-N 324.336 2.569 0 50 DFAA O=C1N[C@H]2N(Cc3ccccc3C23CCOCC3)c2ccccc21 1751966 QTQPAYUBEVRWNK-IBGZPJMESA-N 320.392 2.825 0 50 DFAA CCCCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21 2862763 WYFFMWVPBJFMHY-GOSISDBHSA-N 313.353 2.887 0 50 DFAA COc1ccccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 2901290 LAOSSBQCBWIXCU-UHFFFAOYSA-N 318.760 2.604 0 50 DFAA O=C(c1cccs1)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F 4487730 WPBQCJUMRDCJRF-NSHDSACASA-N 304.293 2.611 0 50 DFAA COC(=O)c1ccc(CN2C(=O)COc3ccc(Cl)cc32)o1 4487940 MHSWQRWQOOVTQA-UHFFFAOYSA-N 321.716 2.645 0 50 DFAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC3CC3)c12 29029973 HNAATWSOGMKBQZ-UHFFFAOYSA-N 306.369 2.836 0 50 DFAA COc1ccc(OCc2nc(C(=O)N(C)CC3CC3)co2)cc1 67473148 QXPRPGVWYFPHAN-UHFFFAOYSA-N 316.357 2.744 0 50 DFAA COc1cccc(OC[C@@H]2CCCN(Cc3ncc[nH]3)C2)c1 65527390 MZAGFUBFOPZHRX-CQSZACIVSA-N 301.390 2.709 0 50 DFAA O=C(c1ccc(OC[C@H]2CCCNC2)cc1)N1CCCCC1 66323510 ZXNGXJBZBMRDSQ-HNNXBMFYSA-N 302.418 2.691 0 50 DFAA O=c1oc2ccccc2n1CCN1CCC(c2ccncc2)CC1 67771815 ZAFKETDLFQTAHM-UHFFFAOYSA-N 323.396 2.869 0 50 DFAA CCC[C@H]1COCCN1C(=O)CCc1nc2ccccc2[nH]1 67447056 PPQIIQUAFMKEGG-ZDUSSCGKSA-N 301.390 2.523 0 50 DFAA Cc1c(Br)c(C(=O)N[C@H]2CCCC[C@@H]2C)nn1C 2780851 MRPWRDQJDWMOJO-WPRPVWTQSA-N 314.227 2.800 0 50 DFAA Cc1ccnn1CC(=O)N(C)Cc1cc(-c2ccccc2)no1 72474419 TVFQYGQJIWOANJ-UHFFFAOYSA-N 310.357 2.505 0 50 DFAA COc1ccnc(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1 328615416 YGGGRVZMFDNIRX-RHSMWYFYSA-N 312.369 2.598 0 50 DFAA Cc1nc([C@H](C)N(C)C(=O)c2n[nH]c3c2CCC3)c(C)s1 215841206 WFRBWCOBLISFHP-QMMMGPOBSA-N 304.419 2.805 0 50 DFAA CNCCc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2 261800048 ZVPYZEXBQFIZHK-UHFFFAOYSA-N 323.396 2.586 0 50 DFAA O[C@@]1(c2ccc(F)cc2)CCN(c2ccnc3ccncc23)C1 375039056 MFINDRTXQWDEMJ-SFHVURJKSA-N 309.344 2.867 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H](CC(C)C)C(=O)O 236584438 XZCPEXQYSYZARV-CYBMUJFWSA-N 316.357 2.879 0 50 DFAA OCc1nnc(SCc2cc(-c3ccco3)on2)n1C1CC1 158849753 AQFYFGSREFPUQR-UHFFFAOYSA-N 318.358 2.646 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@H]2CCc3ccccc32)s1 262723961 GNGQVJZUZWXSEY-LLVKDONJSA-N 301.367 2.906 0 50 DFAA CC[C@H](NC(=O)c1cnn(C)c1)c1nc(-c2ccccc2)c[nH]1 128242300 PHBYYBVGZUHZGN-AWEZNQCLSA-N 309.373 2.691 0 50 DFAA Cc1n[nH]c(C)c1CCn1ccnc1-c1ccc2c(c1)OCCO2 71752443 GHZLEPGTLDRQOP-UHFFFAOYSA-N 324.384 2.904 0 50 DFAA COC1(CNC(=O)c2cnn(CC(F)(F)F)c2)CCCCC1 242147521 WSKCNUDKPRJFCE-UHFFFAOYSA-N 319.327 2.525 0 50 DFAA COc1cccc2ccn(CCC(=O)NCc3cccnc3)c12 44920135 FKKYOXIZAOYIRV-UHFFFAOYSA-N 309.369 2.751 0 50 DFAA CC[C@@H](C(=O)O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 263563447 DKALRVXGVMWPRH-QWHCGFSZSA-N 317.307 2.942 0 50 DFAA Cc1ccc2c(C(=O)N3CCC4(CN(C)C4)C3)csc2c1 614035114 RBLNCBKFBMRYPG-UHFFFAOYSA-N 300.427 2.987 0 50 DFAA CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 40434957 FRSBMSDJJXPARV-UHFFFAOYSA-N 311.813 2.788 0 50 DFAA CCN(CC(F)(F)F)C(=O)NCc1ccc2nsnc2c1 426571430 HDPQAHZMZAXIIM-UHFFFAOYSA-N 318.324 2.785 0 50 DFAA Cn1c(C(=O)NCC[C@@H]2CCCN2)cc2cccc(Cl)c21 97743403 IHPYHBHYFCGRTF-LBPRGKRZSA-N 305.809 2.704 0 50 DFAA Cc1noc(C)c1CCc1nc(-c2cn(C)nc2C(C)C)no1 293034671 NYNSSGPYKRIYIX-UHFFFAOYSA-N 315.377 2.984 0 50 DFAA O=C(CCn1cncn1)N(Cc1ccoc1)C1CCCCC1 266033990 ZOKAECOACLIIOQ-UHFFFAOYSA-N 302.378 2.623 0 50 DFAA Cc1cc(N2CCC[C@H](COc3ccccc3F)C2)nc(N)n1 91425760 RPZGIQQFKKLSFI-ZDUSSCGKSA-N 316.380 2.802 0 50 DFAA O[C@@H](CN1CCC(c2ncc[nH]2)CC1)c1c(F)cccc1F 266726740 IMOQNFOUTVBHIP-AWEZNQCLSA-N 307.344 2.601 0 50 DFAA O=C([C@@H]1CCNC1)N(CCc1ccccc1)Cc1cccs1 239782370 COAOGAITQIPSFY-MRXNPFEDSA-N 314.454 2.929 0 50 DFAA O=C(NCCCNc1cccnc1)c1ccc(-c2cc[nH]n2)cc1 95353570 NXHWJBWNNSXWIZ-UHFFFAOYSA-N 321.384 2.704 0 50 DFAA c1ccc2oc(N3CCN(C4CCSCC4)CC3)nc2c1 244816925 SRDVABQDDIRPBX-UHFFFAOYSA-N 303.431 2.845 0 50 DFAA CN(Cc1cccc2ncccc12)c1cc([C@H]2C[C@@H](O)C2)ncn1 252536587 IXNQAGBVLQWAMM-GASCZTMLSA-N 320.396 2.900 0 50 DFAA Clc1snnc1CN1CC[C@@H](n2cnc3c2CCCC3)C1 299745414 YVXVTGLIIGJDMA-SNVBAGLBSA-N 323.853 2.714 0 50 DFAA CN(CCc1nc2cc(F)ccc2[nH]1)C(=O)CSCC1CC1 299779249 KLHIPBBYYPXYDN-UHFFFAOYSA-N 321.421 2.846 0 50 DFAA C[C@H](CCn1cccn1)NCc1nncn1C1CCCCC1 821182067 RDFXEAGVYSEOMA-CQSZACIVSA-N 302.426 2.548 0 50 DFAA CNC(=O)C[C@H]1CCN(Cc2cccc(OCC(C)C)c2)C1 670461991 LYLWDHZBNCVZFT-MRXNPFEDSA-N 304.434 2.679 0 50 DFAA O=C(c1ccc(OC[C@@H]2C[N@@]2C2CCC2)cc1)N1CCCC1 1875380559 SBUPYLBBCVDWEP-JXFKEZNVSA-N 300.402 2.538 0 50 DFAA Cc1[nH]nc2c1CN(C(=O)/C=C/c1nc3ccccc3s1)CC2 952869748 ZPGPWBJMEPLZHC-VOTSOKGWSA-N 324.409 2.926 0 50 DFAA O=C(NCCCSCc1ccccc1)[C@@H]1CCC[C@H](O)C1 1074560115 KLZHDUAOIRNAIK-CVEARBPZSA-N 307.459 2.977 0 50 DFAA CC(C)N(CCNC(=O)c1c(F)ccc(F)c1F)C1CC1 170598673 NRNRZNFNZISILZ-UHFFFAOYSA-N 300.324 2.707 0 50 DFAA Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1COc2ccccc2C1 190124872 LNZQFTGKHJRKSP-AWEZNQCLSA-N 314.385 2.915 0 50 DFAA Cc1ccccc1CC(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653333850 USMLRVDSVVFCLV-DLBZAZTESA-N 309.365 2.967 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C1 195564818 GLKORGBKYOZXPG-GBJTYRQASA-N 312.479 2.917 0 50 DFAA Cc1nc(-c2ccc(C(=O)N3CC(OCCF)C3)cc2)cs1 585127006 NIGZWYQKNIQFQL-UHFFFAOYSA-N 320.389 2.929 0 50 DFAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(c2ncc(Cl)cc2F)C1 779873732 XPUBXXLHINZVDQ-MWLCHTKSSA-N 312.732 2.532 0 50 DFAA C1COC[C@@H](CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C1 1506427853 UAPAEYIDACGNFY-PISSXIKFSA-N 318.505 2.999 0 50 DFAA CCCCc1ccc(CN(CCO)Cc2cncn2C)cc1 1704315976 HHCDZNMHIDPCCR-UHFFFAOYSA-N 301.434 2.757 0 50 DFAA COc1ccc(-c2noc(C[C@H](C)n3cccn3)n2)c(OC)c1 1615044474 CVFHFZFDEIDUIJ-NSHDSACASA-N 314.345 2.754 0 50 DFAA CCCc1ncc(CNC(=O)C2CC(O)(C3CCCCC3)C2)o1 1615566036 MDZAWAFFNPBKFT-UHFFFAOYSA-N 320.433 2.965 0 50 DFAA O=C(CCCOc1ccccc1)N1CCC[C@@H](C2(O)CC2)C1 1772819142 FWDNNVWSOXKLHP-OAHLLOKOSA-N 303.402 2.609 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1c1ncc(Cl)cc1Cl 1772711653 BEUUZLHYEJXUEL-PSASIEDQSA-N 300.189 2.588 0 50 DFAA COCc1nnc(NCCc2cccc(C(F)(F)F)c2)o1 1772712888 TWBCGUYIJHTUGX-UHFFFAOYSA-N 301.268 2.889 0 50 DFAA CN1CCN(Cc2cccc(OCc3ccccc3)c2)CCC1=O 14999097 RDHZOGWPWFQCFY-UHFFFAOYSA-N 324.424 2.930 0 50 DFAA Cc1oc(C(=O)N2CC[C@@H](CN)C2)cc1COc1ccccc1 408519262 MCHRMAIEJSFSLD-AWEZNQCLSA-N 314.385 2.588 0 50 DFAA Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(N)=O)cc1 1791332 PZEJLNBFKYRHCL-UHFFFAOYSA-N 309.321 2.633 0 50 DFAA O=C(NC[C@H]1CCCN1CC(F)F)c1ccc2ccccc2n1 628613501 ZODLCDXLPGPQPJ-CYBMUJFWSA-N 319.355 2.694 0 50 DFAA CNC[C@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 237287508 MTACPBLDKHIACD-CQSZACIVSA-N 324.852 2.957 0 50 DFAA COc1ccc(-n2nc(C(=O)NC3(C(F)F)CC3)cc2C)cc1 337266864 VVOAFMWNTMVFFP-UHFFFAOYSA-N 321.327 2.717 0 50 DFAA C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(C(=O)c1cc[nH]c1)C2 585128796 NUAJSWKZTMJHBO-BGYRXZFFSA-N 323.440 2.999 0 50 DFAA C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ncco1 585128299 YCJJCAUCBRMWBU-STQMWFEESA-N 316.357 2.864 0 50 DFAA CCOC(=O)CC[C@H]1CCCN(Cc2noc(C(C)C)n2)C1 161850859 RHLBNLNPZORPIO-CYBMUJFWSA-N 309.410 2.748 0 50 DFAA O=C(O)c1nn(-c2ccccc2)cc1CN[C@H]1CCCC12CC2 902496222 XCGQBQRAEGBXMD-HNNXBMFYSA-N 311.385 2.993 0 50 DFAA CC[C@@](CNc1ncnc2c1CCC2)(C(=O)O)c1ccccc1 910469705 HGEHWFUURPRZFA-SFHVURJKSA-N 311.385 2.810 0 50 DFAA O=C(N1CC[C@H](c2nc[nH]n2)C1)C1(CCc2ccccc2)CC1 823188429 IESUAEPTZZJVMP-HNNXBMFYSA-N 310.401 2.534 0 50 DFAA Cc1cc(C)c(C(=O)NS(=O)(=O)c2cc(C)c(C)c(C)c2)o1 2325745677 ZKNRKJSFIZYJPV-UHFFFAOYSA-N 321.398 2.940 0 50 DFAA C[C@@H]1NC(=O)OC12CCN(c1cc(-c3ccccc3)cnn1)CC2 2325780912 XQDWGGAPTIMEAT-ZDUSSCGKSA-N 324.384 2.611 0 50 DFAA CO[C@@H](c1nc(-c2nccc3ccccc23)no1)C1CCNCC1 2325787335 UHEQEIFGINXGOT-MRXNPFEDSA-N 324.384 2.972 0 50 DFAA CO[C@@H]1CC(N[C@H](c2ncc[nH]2)C2CCCCC2)C[C@H]1OC 2325788829 JTOQFOZPOBJZNZ-OAGGEKHMSA-N 307.438 2.813 0 50 DFAA c1ccc2c(Cc3nnn(C[C@@H]4OCCC45CCC5)n3)c[nH]c2c1 2325806729 CTYWORVPWLMNLX-INIZCTEOSA-N 323.400 2.704 0 50 DFAA O=C(Nc1ccccc1N1CCOCC1)c1cccc(F)c1 476324 ISIZEZGWUUEMNF-UHFFFAOYSA-N 300.333 2.915 0 50 DFAA COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O 899915 OBBCRPUNCUPUOS-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA endogenous,in-man CC(C)Cc1nnc2n1[C@@H](C)C(=O)N(Cc1cccc(F)c1)C2 2356145654 GVSFIXUKBMHSRH-LBPRGKRZSA-N 316.380 2.719 0 50 DFAA Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 2810594 FSLXWOQDRSDUFK-QGZVFWFLSA-N 322.408 2.973 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 4423953 DAJFRUHUDHHSEF-CYBMUJFWSA-N 308.765 2.921 0 50 DFAA Cc1ccccc1N1C[C@@H](C(=O)N2CCCCCC2)CC1=O 4975548 CTZDQUXZTSRHBQ-HNNXBMFYSA-N 300.402 2.751 0 50 DFAA CCc1ccc2c(c1)c(C)c(C(=O)NC[C@H]1CCCO1)n2C 9264118 UNJWKZPLRSIYTA-CQSZACIVSA-N 300.402 2.958 0 50 DFAA CCc1[nH]c(SCN2C(=O)c3ccccc3C2=O)nc1C 20095078 MAAVNASCARORFZ-UHFFFAOYSA-N 301.371 2.626 0 50 DFAA CC(C)(C)OC(=O)N1CCN(C2Cc3ccccc3C2)CC1 57530746 MUYZXWABPAFRCG-UHFFFAOYSA-N 302.418 2.707 0 50 DFAA OCC[C@@H]1CN(Cc2cccnc2)CCN1CC1CCCCC1 20535687 JHRHFCSJDUKGQO-LJQANCHMSA-N 317.477 2.531 0 50 DFAA COc1ccc(O)c([C@H]2CC(=O)Nc3cc4[nH]ncc4cc32)c1 67908106 GTMXTRVXGILUBL-NSHDSACASA-N 309.325 2.751 0 50 DFAA CCCOc1ccc2c(c1)CCN(C(=O)C[C@@H]1CCCN1)C2 423868762 HYHSPGAMLQOTQE-INIZCTEOSA-N 302.418 2.502 0 50 DFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1ncoc1C 12054710 KIYNYMSYGLKRJG-NSHDSACASA-N 323.356 2.634 0 50 DFAA COc1cc(CNC(=O)c2cc(C3CC3)[nH]n2)c2ccccc2n1 172854746 BGBBLRVIPGGRPN-UHFFFAOYSA-N 322.368 2.774 0 50 DFAA c1ccc(N2CCCN(CCCO[C@@H]3CCCCO3)CC2)nc1 253392509 NCONZRXQMMQVIU-GOSISDBHSA-N 319.449 2.527 0 50 DFAA CCC[C@H](C)NC(=O)[C@@H](C)N[C@H]1CCCc2c1cnn2CC 257365539 LCLOKODZYVPKRC-GUTXKFCHSA-N 306.454 2.563 0 50 DFAA C[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@]2(CCOC2)O1 328588510 HGFNLNWANFSDRF-WBMJQRKESA-N 313.344 2.668 0 50 DFAA C=C(C)[C@]1(O)C(C)=C(OC)C(=O)C(OC(C)C)=C1OC(C)C 38958748 VJQWRVLOPLVYLO-KRWDZBQOSA-N 310.390 2.858 0 50 DFAA CCc1cccc(NC(=O)[C@H](NC2CCOCC2)C(C)C)c1 157020696 QXDZENOEVXDCLQ-QGZVFWFLSA-N 304.434 2.981 0 50 DFAA CC(C)(NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)O 236685125 XYLZKZQARIFKJC-UHFFFAOYSA-N 305.374 2.991 0 50 DFAA CCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72144611 ZADJROWLCWNBNB-CGTJXYLNSA-N 320.383 2.763 0 50 DFAA CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)NC2CC2)s1 36353481 VOSSRBYXTLAOTR-UHFFFAOYSA-N 309.435 2.743 0 50 DFAA COc1ccccc1CC1CCN(C(=O)[C@H]2CCC[C@H]2N)CC1 237144283 YMHSTHXANKUDGV-DLBZAZTESA-N 316.445 2.604 0 50 DFAA Clc1cnccc1CN1CCCO[C@H](CN2CCCCC2)C1 215893734 VYXZHYPWYUWFMC-MRXNPFEDSA-N 323.868 2.812 0 50 DFAA O=C([C@H]1CCc2ccccc21)N(Cc1cocn1)Cc1cocn1 216461334 DQQSCXNMBGFAIY-KRWDZBQOSA-N 323.352 2.921 0 50 DFAA Cc1ccn2c(C(=O)N3CC(c4ccccn4)C3)c(C)nc2c1 216019584 LIHJFZBPYJRWMT-UHFFFAOYSA-N 306.369 2.586 0 50 DFAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)C[C@@H]1CCCC(=O)N1 288640813 PELVRMIXTRLABO-HNNXBMFYSA-N 314.429 2.932 0 50 DFAA CC(C)(O)c1nc(-c2ccc(OCc3cccnc3)cc2)no1 241173111 KGCZZHFSGLLHSS-UHFFFAOYSA-N 311.341 2.938 0 50 DFAA CC(=O)c1cccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c1 223006825 CGIUIVMQCJKQJI-HNNXBMFYSA-N 303.358 2.749 0 50 DFAA CC(C)c1cc(CN(C)[C@@H]2CCOC3(CCOCC3)C2)no1 82170482 DOZIZCNEQAKBLV-OAHLLOKOSA-N 308.422 2.958 0 50 DFAA COCc1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)no1 291487268 SATYDZJKGBYFKI-SFHVURJKSA-N 316.401 2.767 0 50 DFAA CCc1[nH]ccc1C(=O)NC[C@]1(C)OCCc2sccc21 291966439 SGLVRXSWUFNAES-INIZCTEOSA-N 304.415 2.857 0 50 DFAA COc1cccc(-c2ccc(C(=O)NCCc3cn[nH]c3)o2)c1 426389641 LQHSQNHUUPJSCL-UHFFFAOYSA-N 311.341 2.651 0 50 DFAA O=C(NC[C@@H]1CCOC1)c1ccc(-c2ccccc2CO)cc1 426386871 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MZJRUUFZYDNWQR-CQSZACIVSA-N 306.454 2.733 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)Nc1cccc(OC(C)C)c1 299757074 MCEBORHNDOKTBH-UHFFFAOYSA-N 321.421 2.900 0 50 DFAA CCCc1ccc(OCCNC(=O)[C@H]2CC23CCNCC3)cc1 823010355 IMSVODOQCQGZNM-QGZVFWFLSA-N 316.445 2.524 0 50 DFAA COCC1(CNC(=O)C2CCN(C3CCCCC3)CC2)CCC1 584898371 HGCIAXWUFYKQEL-UHFFFAOYSA-N 322.493 2.964 0 50 DFAA COc1cccc([C@@H]2CCN(c3nnc(C)s3)C2)c1OC 670452358 QBRLOXDXSVOWHP-LLVKDONJSA-N 305.403 2.858 0 50 DFAA O=C1OC[C@@H]2CN(c3nc4ccc(Cl)cc4s3)CCN12 670449237 DWKIMGFKWUYMTO-VIFPVBQESA-N 309.778 2.591 0 50 DFAA C[C@@H]1C[C@H](c2noc(-c3cc(C(N)=O)cs3)n2)CCS1 1875298825 OWBCUHRYYXTYNO-HTQZYQBOSA-N 309.416 2.896 0 50 DFAA Cc1nonc1CNC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 873279235 FSJKHBXWZROLOC-GFCCVEGCSA-N 320.780 2.731 0 50 DFAA Cc1nonc1CNC(=O)N1CCC[C@H]1c1cccc(F)c1 873279477 JAZUDYISGOBHLY-AWEZNQCLSA-N 304.325 2.564 0 50 DFAA CN(C)C/C=C/C(=O)NCC1(c2ccccn2)CC2(CCC2)C1 1875376609 CZVASTFZVQVUED-VMPITWQZSA-N 313.445 2.518 0 50 DFAA CCN(C[C@@H]1CCN(c2nc(C)cc(C)n2)C1)CC(F)(F)F 269337063 JNJUFWJMISUYON-ZDUSSCGKSA-N 316.371 2.804 0 50 DFAA CC1=CC[C@H]2CN(C(=O)c3cc(C(C)(C)C)nc(O)n3)C[C@H]2C1 1073264171 HTFUKZXACHCKLH-QWHCGFSZSA-N 315.417 2.908 0 50 DFAA COc1ccc(OC)c2c1CN(Cc1ccc(C)o1)C[C@@H]2O 271054012 YIIIZIZUTQZOGJ-AWEZNQCLSA-N 303.358 2.654 0 50 DFAA Cc1ncsc1CCN1CCc2ccc(C(=O)O)cc2C1 212051885 RORXBIYBJVPPFE-UHFFFAOYSA-N 302.399 2.751 0 50 DFAA Cc1cccc(OCC(=O)N2CCCC3(CCOCC3)C2)c1 225418550 COMXGMVRMDDVGX-UHFFFAOYSA-N 303.402 2.793 0 50 DFAA COc1cc(OC)c(NC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1F 170594256 BSJRKZDHNLMERV-MRVPVSSYSA-N 321.352 2.925 0 50 DFAA CN1CC[C@@H](NC(=O)Nc2ccon2)[C@@H]1c1ccc(F)c(F)c1 170606457 ZUEBRSRTZBWOJN-OCCSQVGLSA-N 322.315 2.520 0 50 DFAA C[C@]1(CNC(=O)c2ccc3nc(S)oc3c2)CCCC[C@H]1O 170651967 RPQMEQLZTDXPNL-CZUORRHYSA-N 320.414 2.788 0 50 DFAA COCCOc1cccc(-c2cc(C)cc3c2CCNC3=O)c1 649429257 TZOFUPOYETVZCJ-UHFFFAOYSA-N 311.381 2.973 0 50 DFAA C[C@@H](CCN(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 194067614 QCGBUGVMCPYLPK-HNNXBMFYSA-N 324.490 2.536 0 50 DFAA Cc1c([C@H](C)NC(=O)NCc2ccc3ncccc3c2)cnn1C 194042999 PZBWRUUBKPNLJB-LBPRGKRZSA-N 323.400 2.837 0 50 DFAA CO[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CCCC12CCCCC2 661267578 ZZCPFDRLFLNPKH-XHSDSOJGSA-N 324.465 2.840 0 50 DFAA Fc1ccc(C2CCN(CCO[C@H]3CCCCO3)CC2)nc1 585116395 UCVKBTDUGUHVMZ-KRWDZBQOSA-N 308.397 2.943 0 50 DFAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CCCO1 1529178107 IQQIJTUYAZBUCT-CQSZACIVSA-N 315.373 2.522 0 50 DFAA Cc1nnc(CN2CCOc3ccc(Br)cc3C2)o1 225787525 JTYIOEWUZZGIQB-UHFFFAOYSA-N 324.178 2.535 0 50 DFAA COc1cccc(F)c1CN(C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 1704298149 FYTBBDYYHNHGAN-HZSPNIEDSA-N 320.408 2.523 0 50 DFAA C[C@]12C[C@@H]1CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 1775979913 PLIWLJSLZNPOKH-BXKDBHETSA-N 321.320 2.616 0 50 DFAA CCc1ccccc1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1 1772710207 OSLQYJGISKMTLS-UHFFFAOYSA-N 324.424 2.968 0 50 DFAA COc1nc(NCc2nc(C3CCCCC3)no2)ncc1F 1772701083 BPLYJQQPHLFIJK-UHFFFAOYSA-N 307.329 2.667 0 50 DFAA Cc1ccc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)o1 12442383 SJJNHZFKUVTKQT-OAHLLOKOSA-N 302.349 2.618 0 50 DFAA O=C(c1cccc(Cl)c1)N1CCN(Cc2ccncc2)CC1 19790288 WOMPQVFKCKXUQZ-UHFFFAOYSA-N 315.804 2.693 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 156311176 FXXJPQUJJAPQQN-BBRMVZONSA-N 302.418 2.675 0 50 DFAA COc1ccccc1Cn1nc(C)nc1[C@H]1CCn2nccc2C1 1857667700 UUXUIASYRPQGDG-AWEZNQCLSA-N 323.400 2.570 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(-c3ccc(Cl)cc3F)n2CC1 601043843 JFYNNAKCRBITCZ-SECBINFHSA-N 323.755 2.863 0 50 DFAA C[C@H]1Cc2ccccc2CN1C(=O)Cc1cccc(C(=O)O)c1 450533460 VBGRZSHMYURABS-ZDUSSCGKSA-N 309.365 2.901 0 50 DFAA CN1CC[C@@H](n2cc(-c3cc(Cl)cc(Cl)c3)nn2)C1=O 585091470 DFCUQDUSGUPDIO-GFCCVEGCSA-N 311.172 2.655 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@@H](CC(=O)O)c3ccccc32)s1 387883374 BSBUJGLXDKSFOS-LLVKDONJSA-N 316.382 2.979 0 50 DFAA Cc1nc(-c2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)cs1 267204915 LXDHKJGQMCGWDB-SWLSCSKDSA-N 314.410 2.785 0 50 DFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc3ncccc3c2)C1 393330532 QWHAMOUQXMDIOW-JSGCOSHPSA-N 323.318 2.729 0 50 DFAA Cc1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c(C)n1 930339755 URMVZHMFMZGOGZ-HNNXBMFYSA-N 302.422 2.837 0 50 DFAA CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1O 291961 WZRGIJCATAWAGD-UHFFFAOYSA-N 313.401 2.508 0 50 DFAA COc1ccc(NC(=O)COc2ccccc2OC)cc1OC 443674 CEPSTFTZAXAUPA-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA Cc1cc(C)cc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 571646 WKRNOLGZBHZFLW-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA O=C(Nc1cccc2ccccc12)O[C@H]1CCS(=O)(=O)C1 3681350 LCPWLCMCDIRXJC-LBPRGKRZSA-N 305.355 2.575 0 50 DFAA COc1ccc(-c2noc(CN3CCCCC3)n2)cc1OC 4723542 BDDVVUNQZCWVRD-UHFFFAOYSA-N 303.362 2.740 0 50 DFAA COc1ccc(Cl)cc1NC(=O)C1CCN(C(C)=O)CC1 6725643 HIBNKASILDXOKN-UHFFFAOYSA-N 310.781 2.546 0 50 DFAA CNc1ncccc1CN(CCO)Cc1ccc(SC)cc1 55053642 QMOCWKMMZMFAEB-UHFFFAOYSA-N 317.458 2.840 0 50 DFAA COc1ccc(Nc2nc(=O)nc(Nc3ccccc3)[nH]2)cc1 9310367 OGHWHDYMGWXZLB-UHFFFAOYSA-N 309.329 2.661 0 50 DFAA CCCCN(Cc1ccco1)C(=O)[C@@H](N)Cc1ccccc1 55327360 INBWDIWCBHZHAY-KRWDZBQOSA-N 300.402 2.978 0 50 DFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCn1cccc1 409415126 UHFRTXYETPZKIP-ZWKOTPCHSA-N 317.477 2.991 0 50 DFAA biogenic COc1ccccc1N1CCN(Cc2nc3ncccc3o2)CC1 136691609 LMAMHRZWDFSOPI-UHFFFAOYSA-N 324.384 2.554 0 50 DFAA CC(C)[C@@H](NC(=O)Cn1ccc2c(Cl)cccc21)C(=O)O 67640781 HZPKLZCBGDECNU-CQSZACIVSA-N 308.765 2.520 0 50 DFAA CCn1nccc1[C@H]1CCCN1C(=O)NCCc1ccccc1 21791896 OPKRXXHTNCFMRY-MRXNPFEDSA-N 312.417 2.992 0 50 DFAA COc1ccccc1OCc1cc(C(=O)N[C@@H](C)C(C)C)n[nH]1 67561264 NGJPJEXPUMOQTL-LBPRGKRZSA-N 317.389 2.772 0 50 DFAA CN1CCC(Cc2noc(COCc3ccccc3)n2)CC1 67714457 QYGANQPAFKMYRX-UHFFFAOYSA-N 301.390 2.671 0 50 DFAA Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)C2 229346321 GDHXEWIVGXFWFA-MELADBBJSA-N 315.442 2.796 0 50 DFAA CN(C[C@@H]1CCCOC1)c1ncc(Br)cc1F 229538480 VLUQYNNQZWIZGR-VIFPVBQESA-N 303.175 2.846 0 50 DFAA O=C(NC(=O)c1cccs1)OC[C@H]1CCCN2CCCC[C@@H]12 118077 OYSBOQSTNMBOFY-OLZOCXBDSA-N 322.430 2.879 0 50 DFAA O=C(NC(=O)C(F)(F)F)Nc1ccccc1C(F)(F)F 2141539 WWXJWSWYBDVMKJ-UHFFFAOYSA-N 300.158 2.916 0 50 DFAA biogenic Fc1cccc(Cn2cc(NC(=S)N3CCCC3)cn2)c1 2802838 XKBUEFISMAFADE-UHFFFAOYSA-N 304.394 2.863 0 50 DFAA CC(C)(O)[C@@H]1CCCN1C(=O)CCc1nc2ccccc2o1 331756314 AQLDIAJANQERSH-AWEZNQCLSA-N 302.374 2.522 0 50 DFAA CCCc1n[nH]cc1C(=O)N1CCC(CCn2cccn2)CC1 77521417 GYPOJABZCMIUOW-UHFFFAOYSA-N 315.421 2.501 0 50 DFAA CC(C)(CCc1ccccc1)NC(=O)C[C@H]1CSCCN1 132814493 LCJUUWUMIJTSFQ-HNNXBMFYSA-N 306.475 2.609 0 50 DFAA O=C(Cc1ccccc1F)N1CC[C@H](CN2CCCCC2)C1 174521746 OELIZQZVXNJJER-OAHLLOKOSA-N 304.409 2.703 0 50 DFAA COc1ccc(CC(=O)N2CCCC[C@H]2[C@H](C)N)c(Cl)c1 237174079 QSLUKVAWTYPAGK-NHYWBVRUSA-N 310.825 2.619 0 50 DFAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[C@@H](N)C1 237161369 BHTRAIWDDROFTJ-NVXWUHKLSA-N 315.461 2.763 0 50 DFAA Cc1noc(C)c1C[C@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237512223 XNACWYCOWKBZBK-FZMZJTMJSA-N 322.405 2.573 0 50 DFAA Cc1cc(C(F)(F)F)nc2nn3cc(CCCO)cnc3c12 13961042 MQHBZHKOQLPMAM-UHFFFAOYSA-N 310.279 2.530 0 50 DFAA CCCc1cc(C(=O)NC[C@H](C)Oc2cccc(C)c2)n[nH]1 607935362 QTHVPBJZTFULTO-ZDUSSCGKSA-N 301.390 2.868 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC(CCCN(C)C)CC1 132399293 WHGLJYAQHAWKGP-CYBMUJFWSA-N 320.481 2.710 0 50 DFAA O=C(C[C@H]1CCCOC1)NC1CCN(c2ccccc2F)CC1 426549046 CKGYTVQCLDYONO-CQSZACIVSA-N 320.408 2.727 0 50 DFAA CCCc1cn(C2CCN(C3CCN(C(C)C)CC3)CC2)nn1 48435994 SNJORCITVMZDHS-UHFFFAOYSA-N 319.497 2.740 0 50 DFAA CC[C@H](NC(=O)c1ccc(-c2cncn2C)cc1)c1ccnn1C 426698218 JXIJDTSESGSKNU-HNNXBMFYSA-N 323.400 2.702 0 50 DFAA NC(=O)c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1 178789385 WBWSTAGLIGJINY-UHFFFAOYSA-N 313.332 2.515 0 50 DFAA Cc1nn(C)cc1-c1ccnc(N2CCc3sccc3C2)n1 48170806 ZPWQJXXTNMEXBE-UHFFFAOYSA-N 311.414 2.810 0 50 DFAA O=C(NCc1cc(O)ncn1)[C@@]1(c2ccccc2)CC12CCCC2 426438556 HWBYPOREDFMSBF-IBGZPJMESA-N 323.396 2.701 0 50 DFAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2c(F)cccc2F)on1 293307572 FHPOOJZUIPYXMF-JTQLQIEISA-N 309.316 2.720 0 50 DFAA CCc1nc(C)c(C(=O)N(C/C=C/c2ccccc2)CCO)o1 97657178 OJHHZTCCMHMRCQ-JXMROGBWSA-N 314.385 2.693 0 50 DFAA COc1cc2c(cc1CN1CCC[C@H]1c1n[nH]c(C)n1)CCC2 97307221 DGBVZCPGYVWAFH-INIZCTEOSA-N 312.417 2.948 0 50 DFAA O=C(c1ccc(Br)c(Cl)c1)N1CCOCC1 97756660 DIICLOPAHPMKQS-UHFFFAOYSA-N 304.571 2.575 0 50 DFAA CO[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)cc2C)C1 97514433 HYEMCSFZKBFWKL-NSHDSACASA-N 300.305 2.849 0 50 DFAA CCc1ocnc1C(=O)NC[C@@H]1CCOc2ccccc2C1 97711795 YTUXUMAWMYDUSC-GFCCVEGCSA-N 300.358 2.608 0 50 DFAA CCOC(=O)C(C)(C)C(=O)Nc1cc(C(F)(F)F)ccn1 180560231 SGQVQYXWCFMRNB-UHFFFAOYSA-N 304.268 2.628 0 50 DFAA c1ccc(Oc2ccc(CN[C@@H]3CCc4ncnn4C3)o2)cc1 180899514 JVUJQAJVZZFXPI-CYBMUJFWSA-N 310.357 2.768 0 50 DFAA O=C1CC[C@@H]2CN(C(=O)c3cnn4c3CCC4)c3cccc1c32 295265662 HJTPCCOYIHFVPP-LLVKDONJSA-N 307.353 2.550 0 50 DFAA O=C(CCc1nc([C@@H]2CCOC2)no1)NC1CCCCCCC1 96135978 YPBVWVHJTPRGLP-CYBMUJFWSA-N 321.421 2.735 0 50 DFAA CN(CCCc1nccn1C)Cc1cc(-c2cccnc2)no1 243892942 AMJLCECERWAHLL-UHFFFAOYSA-N 311.389 2.535 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1 299743002 LJVNURCCTIOZBM-GFCCVEGCSA-N 304.321 2.777 0 50 DFAA c1ccc(-c2nnc(OC3[C@H]4CC5C[C@H]3CN(C5)C4)s2)cc1 114759548 QZDCYUCETTWCMO-IFFKYPLHSA-N 313.426 2.924 0 50 DFAA in-man CCOC1CCN(Cc2cnc(C(F)(F)F)nc2C)CC1 670468097 BRSUETNWCJRVAA-UHFFFAOYSA-N 303.328 2.805 0 50 DFAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@H]1C[C@@H]2CCC[C@@H]2C1 1875319371 ZMMLHBNYADHDPC-LVQVYYBASA-N 301.434 2.730 0 50 DFAA C/C=C/c1cn(C[C@@H](C)NC(=O)C[C@@H]2CCCC(C)(C)O2)nn1 1875323221 BRUSKYSIXYOPET-LGVMCUBASA-N 320.437 2.554 0 50 DFAA O=C(c1ccc2nc(O)n(C3CC3)c2c1)N1CC[C@@H](CF)C1 881676979 JVNVTMZMTMCTKZ-JTQLQIEISA-N 303.337 2.508 0 50 DFAA Cn1ccnc1C(=O)NCc1cccc(C(F)(F)F)c1F 952977586 XZVKNSQWHGSFQS-UHFFFAOYSA-N 301.243 2.508 0 50 DFAA O=C(Nc1ccnc(N2CCCCC2)c1)[C@@H]1OC[C@@H]2CCC[C@@H]21 888577722 RHLLDUBNNVGYOU-JLJPHGGASA-N 315.417 2.826 0 50 DFAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)C(C)(C)F)CC1 275545663 DAVAZKZZWDWVIP-OAHLLOKOSA-N 307.413 2.643 0 50 DFAA COc1ccc2c(c1)C[C@H](NC[C@@H]1CCc3nccn3C1)CC2 275613922 REFIKHXSUACGSU-WMLDXEAASA-N 311.429 2.601 0 50 DFAA OC[C@@H](CNc1ncccn1)Cc1cccc(Br)c1 277259549 WOWQNFDRLPRRDU-GFCCVEGCSA-N 322.206 2.502 0 50 DFAA C[C@@H]1CCC[C@@H](OCC(=O)Nc2cn(C)nc2C(F)(F)F)C1 170052636 KGDOHYJNBDWYSP-NXEZZACHSA-N 319.327 2.973 0 50 DFAA CN(Cc1ccccc1N1CCCC1)C(=O)Nc1cnns1 170089857 ZGWHAAZHZWOLAD-UHFFFAOYSA-N 317.418 2.802 0 50 DFAA COC(=O)c1ccc([C@@H](C)N2CC[C@@H](Oc3cccnc3)C2)o1 222121071 ZCWLQKVBGUEQCQ-TZMCWYRMSA-N 316.357 2.676 0 50 DFAA Cn1cc([C@H](NCC2=CCCOC2)c2ccc(F)cc2)cn1 187518219 RXPQOKGVAPPXPX-QGZVFWFLSA-N 301.365 2.585 0 50 DFAA C[C@@H]1CCC[C@@H](C(=O)N(C)[C@H](CC(N)=O)c2ccccc2)C1 225439557 VOPNCQOJUDMGBX-FVQBIDKESA-N 302.418 2.888 0 50 DFAA CNC(=O)[C@H]1CCCC[C@H]1Nc1nnc(-c2ccccc2)s1 225494726 MIXUXXKHJYVJBI-QWHCGFSZSA-N 316.430 2.922 0 50 DFAA C[C@H]1C(=O)NCCCN1Cc1csc(-c2ccsc2)n1 189086265 DBGJVXHYEVDTDT-JTQLQIEISA-N 307.444 2.582 0 50 DFAA CN1CCC(CN(C)C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 190298867 ZQPDBHRRGDRMDX-QGZVFWFLSA-N 316.445 2.612 0 50 DFAA COCc1ccsc1C(=O)N1CCC[C@H](CCC(=O)O)C1 191203998 HDSQOBJUPABBKL-LLVKDONJSA-N 311.403 2.612 0 50 DFAA COC[C@@H](C)n1ccc(NC(=O)c2cc3sccc3[nH]2)n1 192217355 LAQWBWWQTXTBHC-SECBINFHSA-N 304.375 2.886 0 50 DFAA CC(C)N1CCN(CCCN2CCC[C@H]2c2ccco2)CC1 192741854 CLCFFZZOXWEQEU-KRWDZBQOSA-N 305.466 2.833 0 50 DFAA Cn1ccc(CN[C@H]2CCCC[C@H]2CC(F)(F)F)cc1=O 649837000 VDIVIMDEESCHKC-STQMWFEESA-N 302.340 2.986 0 50 DFAA CO[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)N1)c1ccc(Cl)cc1 653096365 KHSYVUKPNKBLOH-BZUAXINKSA-N 322.836 2.674 0 50 DFAA CC(C)(C)n1cnc(NC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)n1 654036681 GRCZJSJAHHWBFG-OLZOCXBDSA-N 321.425 2.502 0 50 DFAA Cc1cc(Br)cnc1-c1noc([C@@](C)(O)C2CC2)n1 585120331 ICMLDRPDGMKSLY-ZDUSSCGKSA-N 324.178 2.820 0 50 DFAA O[C@@H]1CN(Cc2c(F)cc(F)cc2F)C[C@H]1Cc1ccncc1 1529180499 JTAVCWGITMKHLY-SJKOYZFVSA-N 322.330 2.534 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@H]2O)on1 1529101676 LANKEAVIBDBWDW-ZWNOBZJWSA-N 312.822 2.733 0 50 DFAA OCCN(C[C@H]1CCCOC1)CC12CC3CC(CC(C3)C1)C2 1529146247 KWVVZMKZVLMRCA-CPZBXZKTSA-N 307.478 2.924 0 50 DFAA CC(C)N1C[C@@H](CN2CCCN(C3CCCC3)CC2)CCC1=O 1800411741 MYDSXKMZUJCKLN-QGZVFWFLSA-N 321.509 2.584 0 50 DFAA COc1cccnc1C(=O)N1CCO[C@H](c2ccccc2)CC1 1615616024 USRKQHKFYNLKSU-HNNXBMFYSA-N 312.369 2.694 0 50 DFAA CN1CCC(C)(c2nccn2-c2ccc3ncn(C)c3c2)CC1 1775978063 OYLMUDRTYFCWAB-UHFFFAOYSA-N 309.417 2.742 0 50 DFAA CN(CC1CCOCC1)c1nncc(-c2ccc(F)cc2)n1 12719011 RAWNOKYOWQFWSI-UHFFFAOYSA-N 302.353 2.541 0 50 DFAA Brc1cc(I)cc2[nH]ncc12 14983098 DHBZGMHXQRHPGP-UHFFFAOYSA-N 322.931 2.930 0 50 DFAA CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1c(C)cnn1CC 19798625 WVAARNDVGYYSHD-MRXNPFEDSA-N 312.417 2.597 0 50 DFAA CN1Cc2cc(-c3c[nH]c(C(=O)N4CCCCC4)c3)ccc2C1=O 1875250254 JMFVYXDPGBSLHY-UHFFFAOYSA-N 323.396 2.893 0 50 DFAA CCc1ncnc(N2CCO[C@H](c3cccc(OC)c3)C2)c1F 301918977 FCNKSMSBTDELRG-HNNXBMFYSA-N 317.364 2.765 0 50 DFAA COc1cccc2c1CC[C@@H]2NC(=O)N1C[C@H](C)O[C@@H](C)C1 229883161 QRUANCLJVWSRSQ-HUBLWGQQSA-N 304.390 2.501 0 50 DFAA CCc1ccc(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@@H]32)cc1 630283733 UDZNZJVPTRIJPX-JYJNAYRXSA-N 301.386 2.964 0 50 DFAA CS(=O)(=O)c1ccccc1N[C@@H](C1CC1)[C@H]1CCCCO1 585091267 GDMFAXXLRBYTQY-ZBFHGGJFSA-N 309.431 2.850 0 50 DFAA CO[C@@H](C(=O)NCc1ccon1)c1ccccc1C(F)(F)F 934043112 FANWHWMWZTUMTG-GFCCVEGCSA-N 314.263 2.697 0 50 DFAA CN(Cc1ccc(O)cc1)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 934435014 JXYQKDQBYJQTKI-AWEZNQCLSA-N 324.380 2.867 0 50 DFAA CN(C[C@@H](O)c1cccc(Br)c1)[C@H]1CCSC1 253370032 LDRWGJYXFNRVBE-QWHCGFSZSA-N 316.264 2.920 0 50 DFAA CC(C)[C@H]1C[C@@H](NC(=O)c2occc2Br)CCO1 271689182 OAPNQCHKOXAJIY-GXSJLCMTSA-N 316.195 2.976 0 50 DFAA CO[C@@H](CNC(=O)c1nc(C)ccc1Br)C(C)C 933901066 BZGHGGGQKFLALV-NSHDSACASA-N 315.211 2.553 0 50 DFAA Oc1nc2ccccc2cc1CNCCc1ncc(F)cc1F 2325737349 CWFYCZMYVLRSHZ-UHFFFAOYSA-N 315.323 2.946 0 50 DFAA CN(Cc1cc2cnccc2[nH]1)[C@H](c1ccccc1)c1nc[nH]n1 2325860604 NDDSDPUOKLANCC-QGZVFWFLSA-N 318.384 2.902 0 50 DFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(C(F)(F)F)c1 759240 QUSCTJMZGNDULW-LLVKDONJSA-N 313.275 2.756 0 50 DFAA COc1cc2c(c(OC)c1OC)[C@@H](c1ccncc1)CC(=O)N2 2469603 DJKBEHSFZQNSFK-LLVKDONJSA-N 314.341 2.582 0 50 DFAA COc1ccc(Br)cc1S(=O)(=O)NC(C)(C)C 7308645 ZQWVDNYCPYPZEV-UHFFFAOYSA-N 322.224 2.535 0 50 DFAA in-vitro CCc1cccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1CC 346710832 UIUDMCWZVZUCEZ-ZDUSSCGKSA-N 303.406 2.541 0 50 DFAA COc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)cc1OC 67676757 WMPPWWCFSNSHTE-ZDUSSCGKSA-N 305.378 2.542 0 50 DFAA O=C(NC1Cc2ccccc2C1)c1ccc(CN2CCCC2)o1 20110038 KUWDYKSBQNTUGF-UHFFFAOYSA-N 310.397 2.773 0 50 DFAA CCCn1ncc(-c2nc3c([nH]2)c(-c2ccccn2)nn3C)c1C 20598480 OIUSYOJHESPNSD-UHFFFAOYSA-N 321.388 2.940 0 50 DFAA C[C@H]1CCCN(C(=O)CN2CCC[C@H]2Cc2ccccc2)C1 252452977 SBDCVMPIXKCFBF-WMZOPIPTSA-N 300.446 2.952 0 50 DFAA C[C@H](N[C@H]1CCCC[C@H]1O)c1ccc(NC(=O)C2CC2)cc1 252511647 JADUTLHZMWBFIK-AFAVFJNCSA-N 302.418 2.989 0 50 DFAA Cc1nc(C)c(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)o1 173910207 VZBDOTPEUGLGKJ-UHFFFAOYSA-N 321.720 2.528 0 50 DFAA O=C(NCc1ccc(CNC(=O)c2ccco2)cc1)c1ccco1 473916 YZQWSRDGDUZMGO-UHFFFAOYSA-N 324.336 2.733 0 50 DFAA COc1cccc(OC)c1C(=O)Nc1nc(C)c(C(C)=O)s1 483491 ZVVUJNHEXJLCTH-UHFFFAOYSA-N 320.370 2.924 0 50 DFAA Cc1cccc([C@H](C(=O)NCCc2ncccc2C)N(C)C)c1 65370282 WCEGYMBKDZGFMN-GOSISDBHSA-N 311.429 2.660 0 50 DFAA Cc1nscc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 181997251 TXUNPEXWAGEVHW-CYBMUJFWSA-N 303.387 2.672 0 50 DFAA Cc1nc2c(c(N[C@@H](C)Cc3ccsc3)n1)CCNCC2 72425085 HJKPUCAFGSVRFZ-NSHDSACASA-N 302.447 2.578 0 50 DFAA CCc1nsc(N2CCC[C@@H](N(C(C)=O)C3CCC3)CC2)n1 328629003 HTBBQHHLZVYZEX-CQSZACIVSA-N 322.478 2.860 0 50 DFAA Cc1cncnc1C1CCN(Cc2ccc(N(C)C)nc2)CC1 215927632 OVDZKFFNTSYWHZ-UHFFFAOYSA-N 311.433 2.626 0 50 DFAA Cn1cnc(-c2cccc(NCc3ccc4cn[nH]c4c3)c2)n1 153618372 GKHJASNKQIRVCD-UHFFFAOYSA-N 304.357 2.971 0 50 DFAA C[C@@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)C[C@@H](C)N1 154020503 WBBXRIGXEHQFJL-VXGBXAGGSA-N 314.351 2.847 0 50 DFAA O=C(O)CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 32087899 FWYVHNLZAQXLCK-UHFFFAOYSA-N 308.337 2.509 0 50 DFAA CCc1cccc2c(CC(=O)N(C)CCCC(=O)O)c[nH]c12 237001124 GLXZQNIFYARIPR-UHFFFAOYSA-N 302.374 2.596 0 50 DFAA Cc1cc(N2CC(N3CCCC[C@@H]3C)C2)n2nc(C)c(C)c2n1 72440890 FZTGZHOTIWYENI-ZDUSSCGKSA-N 313.449 2.718 0 50 DFAA Cc1ccc(CN2CCC[C@](O)(CN3CCCC3)C2)c(C)c1 77489739 CUGQGXLECAGGLT-IBGZPJMESA-N 302.462 2.726 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 238101544 SYUWCOZKHAYWKA-ZDUSSCGKSA-N 303.358 2.555 0 50 DFAA Cc1ncsc1CNC(=O)N[C@@H]1c2ccccc2O[C@H]1C 341268298 DRULBRQPPLEYKB-HZMBPMFUSA-N 303.387 2.773 0 50 DFAA CC(C)[C@](C)(NCc1csc(Br)c1)C(N)=O 289414087 UBIVDLUKHUVJMM-NSHDSACASA-N 305.241 2.500 0 50 DFAA CCN(CCN1CCCCCC1)C(=O)[C@H](O)c1ccc(F)cc1 222437406 KIVYNMHAKZJSCP-QGZVFWFLSA-N 322.424 2.584 0 50 DFAA O=C(NC[C@@H]1CCCC(F)(F)C1)c1nnc2ccccc2n1 291532549 KKRQSKDBLSRIHW-SNVBAGLBSA-N 306.316 2.580 0 50 DFAA O=C(Nc1ccc2c(c1)CCC2)[C@H]1[C@H]2C=C[C@H]([C@H]1C(=O)O)[C@@H]1C[C@@H]21 229814069 XEWYGWDVCSWDJS-UGDFAFBOSA-N 323.392 2.883 0 50 DFAA O=C(CN1CCOCC1)N1CCCCC[C@@H]1c1cccc(F)c1 222512143 DVUIEGJFCPPABB-QGZVFWFLSA-N 320.408 2.602 0 50 DFAA CO[C@H]1CCN(C(=O)c2cc3ccccc3c(=O)o2)CC1(C)C 296167826 SFKUJESXWYQFSW-HNNXBMFYSA-N 315.369 2.680 0 50 DFAA CCCn1cnnc1[C@@H](C)Nc1ncnc2nc(C)cc(C)c12 95390614 SURPVYZPUQZTDW-GFCCVEGCSA-N 311.393 2.816 0 50 DFAA COCCC[C@@H]1CCCCN1C(=O)c1nn(C)c(C)c1Cl 95374837 IHNSYHXPHAVWSD-LBPRGKRZSA-N 313.829 2.803 0 50 DFAA C[C@@H](NC[C@@](C)(O)c1cnn(C)c1)c1cc2c(s1)CCC2 162402593 PRYWICBODSZFBG-BDJLRTHQSA-N 305.447 2.529 0 50 DFAA CCc1ccc(-c2cc(C(=O)N3CCC[C@@H]3COC)[nH]n2)cc1 97757908 ODXMXYLOEOKXSL-OAHLLOKOSA-N 313.401 2.890 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 238080127 JOWOWNUTCMCXNC-GFCCVEGCSA-N 320.732 2.684 0 50 DFAA CSCCc1nc([C@H]2CCOC2)n(CCc2ccccc2)n1 95500495 RYAPHJMBBLOCLE-HNNXBMFYSA-N 317.458 2.930 0 50 DFAA COCCOC1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95531762 HLSKTQKLLWZFOH-INIZCTEOSA-N 319.445 2.755 0 50 DFAA CC(C)Cc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)n[nH]1 252537195 KQHDSZGLKRRGSO-PBHICJAKSA-N 318.465 2.603 0 50 DFAA Cc1cc(C(=O)Nc2ccccc2CN2CCOCC2)c(C)o1 298867378 PIKDLHHUHWSCCI-UHFFFAOYSA-N 314.385 2.981 0 50 DFAA Cc1ncn(C)c1C(=O)NCC[C@H]1CCCCN1C1CCCC1 299766620 RBNWQNKXRRLTCI-MRXNPFEDSA-N 318.465 2.646 0 50 DFAA CC(=O)Nc1ccc2nc(CN(C)CC3(C)COC3)ccc2c1 823683727 FVNUEZNLKQHFRY-UHFFFAOYSA-N 313.401 2.662 0 50 DFAA COc1cnc(F)c(CNC[C@H](c2ccco2)N2CCCC2)c1 585134996 SRNPZBSDKQEGPC-OAHLLOKOSA-N 319.380 2.749 0 50 DFAA Cc1csc(CCCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)n1 584896286 BCBFJKCWRZBAFR-OKILXGFUSA-N 305.447 2.992 0 50 DFAA CC(C)(C)CC(=O)NS(=O)(=O)c1nc2ccccc2s1 585136286 ZVSIZGYRJFHJFP-UHFFFAOYSA-N 312.416 2.537 0 50 DFAA Cc1cnc(CN2CCC(c3nc(C(C)C)no3)CC2)cn1 670435232 QVMPFUCKSJUEDQ-UHFFFAOYSA-N 301.394 2.671 0 50 DFAA C[C@H](CC1CC1)C(=O)NCCn1cc(-c2ccsc2)nn1 1875323529 KYBHKIRQSACWSI-LLVKDONJSA-N 304.419 2.559 0 50 DFAA C[C@H](CNC(=O)[C@H](C)CCN(C)C)COCc1ccccc1 952994739 UQXRGOKFEQYAPH-HZPDHXFCSA-N 306.450 2.543 0 50 DFAA Cc1cc(CN2CCC[C@@H]2c2ncc(C(=O)O)cn2)cs1 1875282784 RZWKMXHLNJDDQI-CYBMUJFWSA-N 303.387 2.882 0 50 DFAA CC1(C(F)(F)F)CCN(C(=O)[C@H]2CC[C@H](C3CC3)N2)CC1 1875290549 OTEHHIAYKZNBSX-VXGBXAGGSA-N 304.356 2.708 0 50 DFAA CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N3CCSCC3)c2C1 888090847 XMHLPTDOWAPCJB-LLVKDONJSA-N 307.463 2.750 0 50 DFAA O=C(C1CC1)N1CCC[C@H]2CN(Cc3ccsc3)CC[C@@H]21 43608917 XODXLMAJIZGQQZ-HOTGVXAUSA-N 304.459 2.971 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C 73988556 QCXDHKXZXYKZOG-OLZOCXBDSA-N 307.463 2.884 0 50 DFAA CN(CCCOc1ccccc1F)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565506071 FJTKRHNSSGTNDC-OLZOCXBDSA-N 323.364 2.554 0 50 DFAA C[C@H]1CCCC[C@@H]1CC(=O)NCc1cc(O)nc(C2CC2)n1 1363361047 VDBHYLNJIMABNR-WCQYABFASA-N 303.406 2.892 0 50 DFAA Cc1occc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 186585666 MKSCADNBWKNAEO-MRXNPFEDSA-N 313.401 2.768 0 50 DFAA C[C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)[C@@H]1C 170634166 VEBSBSHICZVVNK-LALPHHSUSA-N 316.380 2.961 0 50 DFAA Cn1c(=O)sc2cc(CNc3nnc(C(C)(C)C)o3)ccc21 170619385 ASKPJIJOSBKPQE-UHFFFAOYSA-N 318.402 2.893 0 50 DFAA Cc1nc(-c2ccc(C(=O)N3CC[C@](C)(O)C3)cc2)cs1 281616506 BTGRPZKUMIIWMQ-INIZCTEOSA-N 302.399 2.715 0 50 DFAA O=C(Cc1ccc2c(c1)CCC2)NCCCNc1ccccn1 172113796 UUNDQLFUBCSLSR-UHFFFAOYSA-N 309.413 2.731 0 50 DFAA COc1cc2c(N3CC[C@H](C)[C@@H](OC)C3)ncnc2cc1F 225489611 YUMLZSYLPSSBDH-BONVTDFDSA-N 305.353 2.639 0 50 DFAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccnnc1 188630324 VIHHLPWFCPHDBG-UHFFFAOYSA-N 322.290 2.607 0 50 DFAA O=C(c1cc2sccc2[nH]1)N1CC[C@H](Oc2cccnc2)C1 189909008 DMRPBVRNKCEWON-LBPRGKRZSA-N 313.382 2.918 0 50 DFAA COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1c[nH]nc1C)C2 643365376 KUMKFTXZRNMSRX-UHFFFAOYSA-N 315.373 2.540 0 50 DFAA COCCOc1ccc(CC(=O)N2CCSC(C)(C)C2)cc1 192157151 UWYIPZFPERVITB-UHFFFAOYSA-N 323.458 2.608 0 50 DFAA O=c1c2c(ncn1Cc1ccc(Cl)c(Cl)c1)CCOC2 647167445 FRCJAYVNGQMSHP-UHFFFAOYSA-N 311.168 2.671 0 50 DFAA Cc1ccc(F)c(NC(=O)[C@H](NC2CCOCC2)C(C)C)c1 192957523 JSWDGOLIORHQRS-MRXNPFEDSA-N 308.397 2.866 0 50 DFAA O[C@H](CN=c1nc(C2CCCCC2)[nH]s1)c1cccnc1 585087368 RBJIUMBJELFXRS-CYBMUJFWSA-N 304.419 2.548 0 50 DFAA CN(CC[C@@H]1CCCCO1)C(=O)c1cccc2c1CCC2=O 1506409814 UPLLKIOAPSZUKB-ZDUSSCGKSA-N 301.386 2.847 0 50 DFAA Cc1ncc(CN(CCN(C)C)C(=O)C2CCCCCC2)[nH]1 1704314503 UBAZZZAWVLSZIJ-UHFFFAOYSA-N 306.454 2.579 0 50 DFAA O[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)C[C@@H]1F 1616094755 AYBPADYLUFCYMN-OALUTQOASA-N 315.388 2.823 0 50 DFAA CCc1cccc(OCCCN(C)CC[C@@H]2COCCO2)c1 1775980039 RLVVBVXFWCFICD-GOSISDBHSA-N 307.434 2.755 0 50 DFAA O=C1CCN(CCCc2ccccc2)CCN1Cc1ccncc1 12037443 ZXBWZGJEKCVECC-UHFFFAOYSA-N 323.440 2.749 0 50 DFAA COc1cccc2c1OC[C@@H](NCc1cccc3c1OCO3)C2 19792261 CMWSBNOPCFADNN-AWEZNQCLSA-N 313.353 2.517 0 50 DFAA CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OC 154864982 XCMNDLIRNAOFEK-JTQLQIEISA-N 307.243 2.526 0 50 DFAA CCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(OC)ccc21 12324675 BSEOEXNGQROROP-UHFFFAOYSA-N 323.352 2.677 0 50 DFAA CN[C@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 151032800 ANKOOGORIGDCBU-ZDUSSCGKSA-N 310.825 2.709 0 50 DFAA Cc1ccccc1Cc1noc(CN2Cc3c[nH]nc3[C@@H](C)C2)n1 931458237 GLOLIISTIRTBCE-ZDUSSCGKSA-N 323.400 2.811 0 50 DFAA Cc1ccncc1[C@@H](C)NC[C@@H]1CCCO[C@H]1c1nccn1C 858008722 WFRPVLNSLKTRMG-HLLBOEOZSA-N 314.433 2.942 0 50 DFAA Cc1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1 2943765 AAYAYBCPKXYHGN-UHFFFAOYSA-N 316.788 2.946 0 50 DFAA C[C@@]1(C(=O)N[C@H]2C=CC[C@H](C(=O)O)C2)CCc2ccccc2C1 2325765502 ILCMDEWGYAFLCQ-URLQWDBASA-N 313.397 2.717 0 50 DFAA CCN(C(=O)Nc1cn(CC)nc1C(=O)O)c1ccccc1 2325797630 JHRYHBZFCUHWJX-UHFFFAOYSA-N 302.334 2.660 0 50 DFAA Cc1cc(C)nc(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)n1 609339 WOMLMEZVSNBKCU-HIFRSBDPSA-N 309.369 2.777 0 50 DFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2ccccc12 759329 RFHLVYJSORYQOJ-OAHLLOKOSA-N 312.394 2.806 0 50 DFAA COc1ccc(F)c(F)c1C(=O)Nc1cc(C)c(C)nc1O 2356138211 IFEBYVKFSOQLKF-UHFFFAOYSA-N 308.284 2.943 0 50 DFAA CN1CCN(c2ccccc2NC(=O)c2ccc(F)cc2)CC1 4748107 YQCSQXWEDLEBJF-UHFFFAOYSA-N 313.376 2.830 0 50 DFAA CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(F)c2)C1=O 4845974 OIAIOWKCCCABOI-YXYQAXARSA-N 323.345 2.814 0 50 DFAA O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccco1 4918579 RPEMSGPUFWLLOW-UHFFFAOYSA-N 304.415 2.853 0 50 DFAA Cc1cc(C)cc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)c1 6702332 FHELXNZLDASWFZ-UHFFFAOYSA-N 315.325 2.725 0 50 DFAA CC1(C)CN(C(=O)C2CC2)CCN1CCc1ccc(F)c(F)c1 345975377 NKIQIABVSCUTIK-UHFFFAOYSA-N 322.399 2.840 0 50 DFAA Cc1ccccc1CN(CCN(C)C)C(=O)Cc1ccncc1 63871121 SOVMQBJRRJSVOI-UHFFFAOYSA-N 311.429 2.523 0 50 DFAA CN(CCN(C)c1ccccc1)Cn1cnc(-c2ccccc2)n1 117863908 MKQQIQYROGFRMG-UHFFFAOYSA-N 321.428 2.971 0 50 DFAA c1ccc(-n2cc(CN[C@@H]3COc4ccccc4C3)cn2)cc1 20995338 AEZAVRAARMPALG-KRWDZBQOSA-N 305.381 2.966 0 50 DFAA COc1cccc(Cl)c1CNc1ncnc2nc(N)ccc12 252506934 WDJXSZHNUGGVML-UHFFFAOYSA-N 315.764 2.881 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H]1CC=CCC1 328642203 YFXCASITFIPKTI-SZMVWBNQSA-N 313.445 2.889 0 50 DFAA Cc1cccc(Cl)c1S(=O)(=O)N1CC(c2ccccn2)C1 72172662 DDEOODVCAIYCBL-UHFFFAOYSA-N 322.817 2.832 0 50 DFAA CCCN1CCN(C(=O)c2csc(O)n2)c2ccc(F)cc21 329935321 QYCSSQNXXBXEDC-UHFFFAOYSA-N 321.377 2.865 0 50 DFAA CN1CCOC[C@@H](CNC(=O)Nc2cccc3ccccc23)C1 72143257 PDTUECNQBXHSED-AWEZNQCLSA-N 313.401 2.540 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)N2CCCCCC2)C1 6738338 RRBMGDPWKAHNCW-INIZCTEOSA-N 302.374 2.591 0 50 DFAA COc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)ccn1 77287235 CBQRFTRNYDLNBI-CQSZACIVSA-N 300.333 2.859 0 50 DFAA O=C(O)CC1(NC(=O)C2Cc3ccccc3C2)CCCCC1 318514654 HKANNEKELCWSMA-UHFFFAOYSA-N 301.386 2.695 0 50 DFAA CCC(CC)(NC(=O)c1ccc(F)cc1C(F)(F)F)C(N)=O 159218202 XZDIYWALHYTJGF-UHFFFAOYSA-N 320.286 2.618 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCO[C@@H](C2CCC2)C1 333990322 JOKNEGGEOISGON-XHDPSFHLSA-N 305.422 2.548 0 50 DFAA C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(c2ccncn2)CC1 334005965 UAUCFVQQSQIDKK-WMLDXEAASA-N 317.433 2.778 0 50 DFAA CCCc1ncncc1C(=O)N[C@@H](C)c1nc(CC(C)C)no1 215820718 ZDFVBONBQPQDOM-NSHDSACASA-N 317.393 2.502 0 50 DFAA CCc1nn(C)c(Cl)c1CN(C)CCc1c(C)n[nH]c1C 216456547 NJOBPAXKMWRASZ-UHFFFAOYSA-N 309.845 2.650 0 50 DFAA COc1c(C)cnc(CN2CCC[C@@H](c3ccn[nH]3)C2)c1C 72301238 XWXRMNAHQJNYSS-CQSZACIVSA-N 300.406 2.810 0 50 DFAA CC(=O)Nc1c[nH]c(C)c1C(=O)NC1CC(c2ccccc2)C1 374062016 QDPBSNIMZDWVBB-UHFFFAOYSA-N 311.385 2.958 0 50 DFAA Cc1cc(NC(=O)N2CC[C@@H](C(=O)O)C2)ccc1C(F)(F)F 263099349 UKHZIZVBLTYQDO-SECBINFHSA-N 316.279 2.952 0 50 DFAA COCc1ncsc1C(=O)N1c2ccccc2OC[C@@H]1C 285466990 PZPSFVOHTICRGF-JTQLQIEISA-N 304.371 2.717 0 50 DFAA Cc1cc(C)n(C2CN(c3cc(C(C)C)nc4ccnn34)C2)n1 72158065 NXQINQYUVVSFPB-UHFFFAOYSA-N 310.405 2.727 0 50 DFAA C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)[C@@H]1C[C@]12CCc1ccccc12 263353894 QJPUDNMWXNQKDU-FYHWNKSOSA-N 313.397 2.602 0 50 DFAA CN(C(=O)CCc1cccs1)[C@H](Cc1ccccc1)C(=O)O 263420229 ISHUNQFRBSQHRI-OAHLLOKOSA-N 317.410 2.835 0 50 DFAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 97757116 OJOWOXPQZZGLKU-KGLIPLIRSA-N 323.364 2.949 0 50 DFAA Cc1ccc([C@H](C)CCN2CCC(O)(Cn3ccnc3)CC2)o1 97784759 RHFWDYSICVAHIG-OAHLLOKOSA-N 317.433 2.805 0 50 DFAA O=C(C1CCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 91381700 LSOROBOTUIOFPD-KRWDZBQOSA-N 324.428 2.833 0 50 DFAA COCC1(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)CCCC1 95368677 HBSATGYLWZTBOD-HNNXBMFYSA-N 308.397 2.504 0 50 DFAA Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCCCCN1C 91988278 OOLZKOMBVFRIJK-SFHVURJKSA-N 313.445 2.940 0 50 DFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)NCCc2c(F)cccc2F)C1 179962624 SFWOLUHCQNDHII-GHMZBOCLSA-N 311.328 2.515 0 50 DFAA COCC[C@]1(O)CCN(Cc2ccc(C)c(F)c2F)C[C@H]1C 91518655 ORMAMQYMFSQWCZ-CXAGYDPISA-N 313.388 2.883 0 50 DFAA CCCn1ncnc1[C@@H](C)Nc1nccc(-c2cccnc2)n1 97637891 HLAWMBGUIFEBJA-GFCCVEGCSA-N 309.377 2.713 0 50 DFAA CCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cn1 181169121 YJXCXJQXLRPYKX-UHFFFAOYSA-N 318.398 2.622 0 50 DFAA Cc1nc(C)n(CCNC(=O)c2cc3c(s2)CC[C@H](C)C3)n1 92081092 KBILBOGBXAGSMB-JTQLQIEISA-N 318.446 2.511 0 50 DFAA Cc1c(NC(=O)NCC2(O)CCCCC2)cc2[nH]cnc2c1C 95501199 SFTUPNJJHYNXFV-UHFFFAOYSA-N 316.405 2.996 0 50 DFAA COCc1nc(CN(C)CCn2c(C)cc3ccccc32)no1 244884339 YKLACEDXOCGQAG-UHFFFAOYSA-N 314.389 2.611 0 50 DFAA O=C1C[C@H](Cc2cccc(-n3cnnc3)c2)CN1c1ccccc1 244718858 LSGOCZNXPQLUHT-INIZCTEOSA-N 318.380 2.863 0 50 DFAA O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ncoc1C1CC1 244708261 KQHQDBKQNNABQV-QLFBSQMISA-N 312.369 2.794 0 50 DFAA Cc1csc(SCC(=O)N[C@H](C)Cc2ncccc2C)n1 244718913 LTFRVXCPYKEZAC-LLVKDONJSA-N 321.471 2.994 0 50 DFAA COCCn1cncc1CN1CCCC[C@@H]1c1cc(C)on1 244899873 ZRXINPCTPMIGGO-MRXNPFEDSA-N 304.394 2.553 0 50 DFAA C[C@H]1CN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCCO1 297499806 VEHCJFUDAOBEQY-NOLJZWGESA-N 306.381 2.892 0 50 DFAA CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)C[C@H]1N(C)C 299754272 XFUOCBVHTYHRCP-BVPBIZIASA-N 316.445 2.597 0 50 DFAA O=C(Nc1ccc2n[nH]cc2c1)c1cnoc1C1CCOCC1 1875290708 YSKPTEOHWJRDED-UHFFFAOYSA-N 312.329 2.697 0 50 DFAA COc1cc(N[C@@H](C)C2(O)CCOCC2)c(Cl)c(OC)c1 1875284605 BCFCMYUZPMXAMA-JTQLQIEISA-N 315.797 2.699 0 50 DFAA O=C(c1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1)c1cccnc1 1875382152 SJSMQBHCQWQHEU-LAUBAEHRSA-N 308.381 2.786 0 50 DFAA CO[C@@H]1CCOC[C@H]1NC(=O)Cc1coc2cc(Cl)ccc12 889185868 YBMMVWJJHJIUIW-ZIAGYGMSSA-N 323.776 2.549 0 50 DFAA CCn1cncc1[C@H]1CCCCN1C(=O)NC[C@@]1(C)CCCO1 1775990314 LNCJNORLPPAEFA-RHSMWYFYSA-N 320.437 2.709 0 50 DFAA C[C@H](NC(=O)c1ccc(F)c(O)c1)c1cc2n(n1)CCCC2 1362979265 QOBYQJSTPZIJPL-JTQLQIEISA-N 303.337 2.555 0 50 DFAA CCN(C)C(=O)CN[C@@H]1CCCSc2ccc(OC)cc21 188488958 TVJJNJAFFVGKPR-CQSZACIVSA-N 308.447 2.690 0 50 DFAA CNC[C@H]1CCCN(C(=O)/C=C(\C)c2ccc(F)cc2F)C1 585086629 LMFKEDCOKVMGDU-YQCJOKCJSA-N 308.372 2.826 0 50 DFAA O=C(NN1CCCCC1)c1cccc(NCc2ccccn2)c1 585132426 WOTAWHYKZWGRMA-UHFFFAOYSA-N 310.401 2.824 0 50 DFAA Cc1cc(C(=O)N[C@H](C)c2cc(Br)no2)ns1 585131070 KMIDLJPHASTVBP-ZCFIWIBFSA-N 316.180 2.693 0 50 DFAA CC[C@@H]1CCc2c(sc3nc(-c4ccncn4)[nH]c(=O)c23)C1 225566240 VREDQPIQZTZPNS-SECBINFHSA-N 312.398 2.957 0 50 DFAA CCOc1ccc(NC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 190258488 OSYXHULNPQZXFN-MRXNPFEDSA-N 311.341 2.612 0 50 DFAA O=C(c1cc2occc2[nH]1)N1CCO[C@@H](Cc2ccccc2)C1 776539619 XHHPFVYQVASUQQ-AWEZNQCLSA-N 310.353 2.845 0 50 DFAA CCN(Cc1cc(C(=O)O)ccc1OC)C[C@@H]1CCCCO1 1529103637 FXDRRYIZLNONMC-HNNXBMFYSA-N 307.390 2.784 0 50 DFAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3cccc(C(=O)O)c3)C[C@H]2C1 1529118176 FMPFITHCUOGJGI-USTZCAOPSA-N 316.445 2.935 0 50 DFAA O=C(NCC12CCN(CC1)CC2)c1cc(F)c(Cl)cc1F 1615585994 KLACWSXFMWYYCX-UHFFFAOYSA-N 314.763 2.834 0 50 DFAA CC[C@](C)(CCNc1nnc(CNC)o1)c1ccccc1OC 1772707269 MMHDULWSVNBTIM-QGZVFWFLSA-N 318.421 2.968 0 50 DFAA CN(CC[C@H]1COCCO1)Cc1ccccc1CN1CCCC1 1775984026 XXJQIQXSOSRRDE-IBGZPJMESA-N 318.461 2.520 0 50 DFAA C[C@@H]1CC2(CCN(C(=O)CCc3cccc(O)c3)CC2)CO1 1772816257 JKWIJZKYXBBQME-CQSZACIVSA-N 303.402 2.742 0 50 DFAA C[C@H]1CCCN(C(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)C1 12097818 PJGUCNCLZXHRPW-BLLLJJGKSA-N 304.365 2.772 0 50 DFAA CCCCN1C[C@@H](C(=O)Nc2ccccc2OCC)CC1=O 16552669 FXBAYUBZTGNCOA-ZDUSSCGKSA-N 304.390 2.672 0 50 DFAA O=C(c1ccco1)N1CCN(Cc2ccc(Cl)cc2)CC1 19832083 SRLDYXCIJRJVCX-UHFFFAOYSA-N 304.777 2.891 0 50 DFAA CCO[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(OC)cc2)C1 1857532369 NPVBOTIPNRNPLX-BBWFWOEESA-N 303.402 2.826 0 50 DFAA O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 1699052 QMECPMOWMNRLSL-UHFFFAOYSA-N 321.424 2.615 0 50 DFAA in-vitro O=C(c1coc(-c2ccccc2)n1)N1CC[C@H](N2CCCC2)C1 158388307 ZXJQDZJLWRJRRB-HNNXBMFYSA-N 311.385 2.652 0 50 DFAA Cc1nn(C)c(NC(=O)CSC[C@H]2CCCCO2)c1Cl 585125543 WUPFBXCVYWILCD-SNVBAGLBSA-N 317.842 2.623 0 50 DFAA COc1cc(C(=O)N2CCOc3c(F)ccc(F)c32)cc(C)n1 585141006 NKUVQGONGPGAIY-UHFFFAOYSA-N 320.295 2.716 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@H]1c1noc([C@H]2CCCO2)n1 496962089 KYOYDCHDEDMYMC-WDEREUQCSA-N 309.366 2.993 0 50 DFAA Cc1nc(N)c2c(C)c(C(=O)N3CCC[C@@H]4C[C@@H]43)sc2n1 804293144 KGXSDDMBVSCVIL-ZJUUUORDSA-N 302.403 2.515 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCCC(=O)N2C)nn1C1CCCCC1 908286366 NFSPISFISITVCT-CQSZACIVSA-N 318.421 2.646 0 50 DFAA CCC[C@H]1CCCN1C(=O)NCc1ccc(S(C)(=O)=O)cc1 912039968 KRPDSMKQRLOKRE-AWEZNQCLSA-N 324.446 2.564 0 50 DFAA Cn1nccc1[C@@H]1CCCN1C(=O)c1cccc2c1ccn2C 928373225 DGUFVJNLKMHBKP-KRWDZBQOSA-N 308.385 2.889 0 50 DFAA COC(=O)[C@]1(C)Nc2ccccc2C(=O)N1c1ccccc1C 111414 FRZAADRGBQOEKU-GOSISDBHSA-N 310.353 2.957 0 50 DFAA CCOC(=O)[C@@H]1C(c2ccc(OC)cc2)=NO[C@@H]1c1ccco1 6667820 RTYXOYBRPGVAIO-GDBMZVCRSA-N 315.325 2.943 0 50 DFAA Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 513318 QKTBNKIDLPFVSM-UHFFFAOYSA-N 304.346 2.967 0 50 DFAA CCc1nonc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 2325780306 XDFODQDPRAAGDD-UHFFFAOYSA-N 311.345 2.687 0 50 DFAA CCn1c(CNC(=O)NCc2ccc3[nH]ccc3c2)cnc1C 2325810726 AECBAZWQUIZOKV-UHFFFAOYSA-N 311.389 2.692 0 50 DFAA CCOc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1OCC 30136 QKDUZHKFXGTZDF-STQMWFEESA-N 307.390 2.733 0 50 DFAA CN(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 44825 KAUPFCSWFPAMND-CQSZACIVSA-N 323.396 2.744 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(Br)c(Cl)c1 125441 ZXPAXWZSSVDPDP-UHFFFAOYSA-N 306.543 2.906 0 50 DFAA COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187325 DALGDMAVNXHKCK-IAGOWNOFSA-N 322.364 2.865 0 50 DFAA biogenic Cc1ccc(Nc2ncc(F)c(N3CCOCC3)n2)c(C)c1 217150 AJXREPSFMRDOBG-UHFFFAOYSA-N 302.353 2.813 0 50 DFAA CN(C)CC(C)(C)CNC1CCN(CCc2ccccc2)CC1 221449 SWDYZOSBDCGPIR-UHFFFAOYSA-N 317.521 2.871 0 50 DFAA CCc1ccccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 398255 FABDIVWVKMBBFR-UHFFFAOYSA-N 319.386 2.540 0 50 DFAA COCCN1CCC[C@]12CCCN(c1ccc(C)cc1)C2=O 2356151312 CLHMLEMRJLRVAL-GOSISDBHSA-N 302.418 2.603 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(Cl)nc1 2530051 QFRYTJQRHVKTEX-VIFPVBQESA-N 300.742 2.776 0 50 DFAA COc1ccc(CNC(=O)c2cc(-c3ccccc3O)on2)cc1 3908547 GGLHQXGLSWOKCO-UHFFFAOYSA-N 324.336 2.986 0 50 DFAA CCOC[C@@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1 134056435 SGARMRZCNFHCSU-CQSZACIVSA-N 306.406 2.758 0 50 DFAA O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccco1 4845285 VCCBPLBFUKSJOL-UHFFFAOYSA-N 324.745 2.758 0 50 DFAA CC(C)OC1CC(N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)C1 344319598 ZAJMTKVZAMXZBJ-NDTCATRNSA-N 307.438 2.840 0 50 DFAA O=C(N[C@@H]1CCCc2nc(-c3cccnc3)ncc21)C1CCC1 12590354 AILMMOWTJAPOHQ-MRXNPFEDSA-N 308.385 2.832 0 50 DFAA CC(C)[C@@H](C(=O)Nc1ccccn1)N1Cc2ccccc2C1=O 20715554 UPYIPQJAYWLJET-INIZCTEOSA-N 309.369 2.701 0 50 DFAA CCN1CCN(C(=O)CC2=CCCCC2)C[C@@H]1c1ncc[nH]1 351957617 HGFTYSMRNDLNLI-OAHLLOKOSA-N 302.422 2.505 0 50 DFAA CC[C@H](NC(=O)N1C[C@H](F)C[C@H]1CO)c1ccc(F)cc1F 347317707 VLLVTEIYQYLMQE-SUNKGSAMSA-N 316.323 2.530 0 50 DFAA O=C(NCCc1cnccn1)C1(c2c(F)cccc2F)CCC1 421505895 JIVFLGYASBKCLY-UHFFFAOYSA-N 317.339 2.535 0 50 DFAA COc1ccc([C@@H](C)NC(=O)c2c(C)cc(=O)oc2C)cc1F 67772651 NDUBATIWHDDZIO-SNVBAGLBSA-N 319.332 2.895 0 50 DFAA COc1cncc(C(=O)N(C)[C@@H](C)c2c(F)cccc2F)n1 358015285 FRBRUYSYNYOQLV-VIFPVBQESA-N 307.300 2.597 0 50 DFAA COc1ccc([C@H]2CCCN2CC2CCNCC2)c(OC)c1 178956297 RFEBYNGOYUNIKE-QGZVFWFLSA-N 304.434 2.840 0 50 DFAA Cc1nc(C2(NC(=O)c3cccn3C(C)C)CCCC2)no1 120877121 NMGRCZDIONFDEY-UHFFFAOYSA-N 302.378 2.960 0 50 DFAA Cc1nonc1[C@@H]1CCCN1C(=O)CC1CCN(C(C)C)CC1 65454258 DSWOVSNOLQMKRL-HNNXBMFYSA-N 320.437 2.552 0 50 DFAA O=C(c1ccc[nH]1)N1CCCN(CCCc2ccccc2)CC1 77523551 MJLXUBMNTRSSEI-UHFFFAOYSA-N 311.429 2.795 0 50 DFAA C[C@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)C[C@@H](C)N1 153810896 MDVLPTRKFSTQRJ-PHIMTYICSA-N 319.405 2.772 0 50 DFAA CN(CCC1CCOCC1)C(=O)Cc1noc2ccccc12 154591761 WATXCUXTBVCWLZ-UHFFFAOYSA-N 302.374 2.645 0 50 DFAA CC(C)c1cc(NCC[C@H]2CCCN(C)C2)n2nccc2n1 72408819 VADAVLZFVJOYOR-CQSZACIVSA-N 301.438 2.997 0 50 DFAA C[C@@H]1OCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)[C@H]1C 371253603 LZFXTJUZLUVKQQ-KKUMJFAQSA-N 310.438 2.687 0 50 DFAA O=C(COc1ccc(Cl)c2ccccc12)N[C@H]1CCCNC1 262044694 TWBLLZFGOBZTEX-LBPRGKRZSA-N 318.804 2.740 0 50 DFAA CSCc1nc(CNC(=O)c2ccnn2C(C)C)cs1 215978518 CEBKHDACTARCFU-UHFFFAOYSA-N 310.448 2.714 0 50 DFAA C[C@H]1C[C@H](Nc2ncnc3[nH]ccc23)C(=O)N1c1ccccc1 374161071 USSHECSUMMKTQE-FZMZJTMJSA-N 307.357 2.564 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1NC(=O)C(C)(C)C 262351145 BLIPVBANLVCOBY-NEPJUHHUSA-N 318.373 2.639 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)n[nH]1 333118031 GSISKLRZRNLRJC-XFBWCDHKSA-N 304.438 2.917 0 50 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0 50 DFAA CC(C)(C)[C@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1cccs1 236714150 IVUJPNMOFJSVRX-BXUZGUMPSA-N 324.446 2.501 0 50 DFAA CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccc(Cl)cc1F 263352377 VXMJCESBWIELST-WAAGHKOSSA-N 313.756 2.736 0 50 DFAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1C 909387818 QDGOCAORDXMXQV-MRXNPFEDSA-N 318.392 2.832 0 50 DFAA CN1CCC(NC(=O)Nc2ccc(Br)cc2)CC1 6729264 JAZJPOBKVQABNJ-UHFFFAOYSA-N 312.211 2.665 0 50 DFAA COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1 37031 JNELHVARRDZWTP-GFCCVEGCSA-N 305.355 2.703 0 50 DFAA CCOP(=O)(OCC)[C@H](O)c1ccc(OC)cc1OC 1895624 GBXSUHLFBTVGDP-ZDUSSCGKSA-N 304.279 2.961 0 50 DFAA CCOc1cc(F)ccc1NC(=O)Nc1n[nH]c2c1COCC2 887244892 KZULHPDGMLFQBJ-UHFFFAOYSA-N 320.324 2.664 0 50 DFAA CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1nccs1 77174 JNIOENIBPKKTCI-GFCCVEGCSA-N 304.371 2.504 0 50 DFAA COc1cc(NC(=O)c2ccc(OC)cc2OC)cc(OC)c1 432957 RESRZODLKUEXHV-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA O=C(CNC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1 1049658 WTIANFKLWNAJOG-UHFFFAOYSA-N 312.247 2.667 0 50 DFAA Cc1ccc(S(=O)(=O)NC(=O)N[C@H](C)c2ccccc2)cc1 1218579 OUIDBQBJLMBIKO-CYBMUJFWSA-N 318.398 2.744 0 50 DFAA CCC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F 1234388 CUTGNEMLXISGIL-UHFFFAOYSA-N 319.205 2.742 0 50 DFAA Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)o2)no1 2432514 KVRPBCFOQQWOQL-UHFFFAOYSA-N 320.330 2.665 0 50 DFAA O=S(=O)(Nc1cnc2ccccc2c1)N1CCCCCC1 6492326 VNNIRCBJKYHFEZ-UHFFFAOYSA-N 305.403 2.768 0 50 DFAA O=C(COCc1cc(-c2cccs2)on1)Nc1cccnc1 6876526 GAJRRDGNANRMMJ-UHFFFAOYSA-N 315.354 2.953 0 50 DFAA Cc1ccccc1OCCN1CCO[C@@H](c2nccs2)C1 111691635 IMSBZWUURSJHAP-OAHLLOKOSA-N 304.415 2.904 0 50 DFAA CCSc1nc(CC(=O)N(C)[C@H](C)c2ccncn2)cs1 55368579 BAJVFQUEFNQLSJ-SNVBAGLBSA-N 322.459 2.807 0 50 DFAA COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C 10448052 ZLPQUTMEYIIHRD-UHFFFAOYSA-N 305.399 2.791 0 50 DFAA C[C@@H](NC1CCN(C(=O)c2cnccn2)CC1)C1=CCCCC1 67605564 DIUBZQQFLXUZKW-CQSZACIVSA-N 314.433 2.560 0 50 DFAA O=C(COc1ccc2ccccc2c1)N[C@H]1CCN2CCCC[C@@H]12 229724725 HMYVQFWFYVESFR-OALUTQOASA-N 324.424 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DFAA Cc1noc(C)c1C(=O)N1CCCN(Cc2ccsc2)CC1 980689800 LWENJYIMXHEORI-UHFFFAOYSA-N 319.430 2.701 0 50 DFAA O=C(c1cc2n(n1)CCC[C@@H]2O)N1CCC[C@H]1C1CCCC1 1361885901 QJDQEGJEIRWBGC-HOCLYGCPSA-N 303.406 2.505 0 50 DFAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2ccsc2)C1 275535194 GFXXRIIIHMPZJD-CYBMUJFWSA-N 317.414 2.503 0 50 DFAA CCOCCC1(CNC(=O)N2CC(C)(C)OC(C)(C)C2)CC1 188225924 URVZIOQMJJBSSR-UHFFFAOYSA-N 312.454 2.792 0 50 DFAA CCOC(=O)C[C@](C)(NCCC1OCCCO1)c1ccccc1 408516442 DJLVKCIFVWNCCT-SFHVURJKSA-N 321.417 2.598 0 50 DFAA Cc1c[nH]cc1C(=O)NC1(C(=O)OCc2ccccc2)CCC1 408519980 BYWZGCMHFVGEDZ-UHFFFAOYSA-N 312.369 2.719 0 50 DFAA CCC[C@]1(COC)CCCN1C(=O)NCc1ncccc1C 193737414 SDCPDPMSXJYOEN-QGZVFWFLSA-N 305.422 2.881 0 50 DFAA COc1ccc(CNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 68246 OTSCKAORIMXMPR-WEVVVXLNSA-N 311.337 2.754 0 50 DFAA Cc1ccc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1C 1529161815 QZRAOBXWLDPFDM-RTBURBONSA-N 324.424 2.615 0 50 DFAA C[C@@H](C[S@](C)=O)Nc1ncc(Br)cc1Cl 235117932 MXGQKIRTWSUBJM-XHLQUELWSA-N 311.632 2.676 0 50 DFAA Cn1nccc1CS(=O)(=O)Cc1c(Cl)cccc1Cl 163443757 WHGUJHFJBVOIKW-UHFFFAOYSA-N 319.213 2.842 0 50 DFAA C[C@H]1CN(CCNC(=O)C2=CCCCC2)Cc2ccccc2O1 12042074 OOQVYSANDBEJSY-HNNXBMFYSA-N 314.429 2.886 0 50 DFAA COC(=O)C1CCN(Cc2nc(-c3ccc(C)o3)oc2C)CC1 12074491 NPGPIXPOLSUGLO-UHFFFAOYSA-N 318.373 2.936 0 50 DFAA CCc1cc(C(=O)N2CCN(c3ccccn3)CC2)cs1 13744866 FAXWTTQDARBRAJ-UHFFFAOYSA-N 301.415 2.668 0 50 DFAA Cc1ccc2c(c1)N(CC(=O)c1cc(C)n(C)c1C)C(=O)CO2 15019472 URZGVSWRGROHLN-UHFFFAOYSA-N 312.369 2.559 0 50 DFAA Cc1nccc(-c2cccc(-c3ccn(C[C@H]4CCNC4)n3)c2)n1 19222904 ZJPRJJBFEHCWCU-HNNXBMFYSA-N 319.412 2.925 0 50 DFAA C[C@@H](NC(=O)CCN1CCOC2(CCCC2)C1)c1ccccc1 158452679 LZYSHHLUTIOYGG-MRXNPFEDSA-N 316.445 2.899 0 50 DFAA Cc1c(Cl)cc(NC(=O)[C@@H]2CCCC(=O)N2)cc1Cl 643610930 DXCJRMFWPWLQEH-NSHDSACASA-N 301.173 2.909 0 50 DFAA CCOc1cc(C)ccc1CNC(=O)c1cnn2c1CCCC2 127513257 MLXDECFBDVBOAR-UHFFFAOYSA-N 313.401 2.857 0 50 DFAA CCC[C@]1(CO)CCN(c2nccc3ccccc23)C[C@H]1O 1875243807 YJURYNJLODGCPU-SJLPKXTDSA-N 300.402 2.585 0 50 DFAA COc1cccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 532698 VNWBDVTYPWIZNC-DLBZAZTESA-N 303.358 2.756 0 50 DFAA CN(C(=O)Cc1cnn(C)c1)c1nc2ccc(Cl)cc2s1 408514758 FLAUDBMRVNSPOK-UHFFFAOYSA-N 320.805 2.889 0 50 DFAA CC(C)[C@H]1CC[C@H](c2nc([C@@H]3CCS(=O)(=O)C3)no2)CC1 408514083 UWJLOJQQGVOMAQ-JHJVBQTASA-N 312.435 2.902 0 50 DFAA O=C(c1cc[nH]c(=O)c1)N1CCC(CCc2ccccc2)CC1 119177381 YFWWHLYFYQHPGX-UHFFFAOYSA-N 310.397 2.860 0 50 DFAA O=C1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 6658240 YWZJHHBYMUBOES-QMMMGPOBSA-N 306.671 2.576 0 50 DFAA in-vitro O=C(O)c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)o1 238009280 JLGICXGVJOCJBH-UHFFFAOYSA-N 317.316 2.969 0 50 DFAA O=C(O)CCN(C(=O)c1coc2ccccc12)C1CCOCC1 238076329 BNUZGKOWADOTJY-UHFFFAOYSA-N 317.341 2.529 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4CCCC[C@H]4C3)C2=O)cc1 245255038 DWFZRYZAJWLOET-ZOBUZTSGSA-N 312.413 2.749 0 50 DFAA CO[C@H](C)CC(=O)NC[C@H]1CCCCN(Cc2ccccc2)C1 378111039 HTUFYSXWWCWUMV-SJLPKXTDSA-N 318.461 2.830 0 50 DFAA CN1CCN(CCC(=O)Nc2cccc(F)c2)C[C@H]1C(C)(C)C 585116098 HGZWLUYTVLDOTF-INIZCTEOSA-N 321.440 2.816 0 50 DFAA C[C@@H](C(=O)N1CCC[C@H]1CC(=O)O)c1ccc(Cl)s1 262907199 JFSZVNFZDIZTEO-BDAKNGLRSA-N 301.795 2.971 0 50 DFAA Cc1ccccc1[C@H](O)CN1CC[C@H](OCc2ccncc2)C1 805753693 RRCOQLJSBCDURO-PKOBYXMFSA-N 312.413 2.715 0 50 DFAA Cc1nn(C)c(C(=O)N[C@H]2CCCC[C@H]2C)c1Br 2780786 NGDFTEKEIIGRAK-SCZZXKLOSA-N 314.227 2.800 0 50 DFAA CCc1c(NC(=O)C[C@@](C)(O)COC)cnn1C(CC)CC 2325784686 CGRSSDVHAYLHTM-MRXNPFEDSA-N 311.426 2.533 0 50 DFAA Cc1ccc([C@H](CN(C)C)NC(=O)c2cc3ccncc3[nH]2)cc1 2325816618 ISNCDFJBDKVXIH-SFHVURJKSA-N 322.412 2.904 0 50 DFAA Cc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)c1 424319 IFABXNIURHFPLM-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA S=C(NC[C@@H]1COc2ccccc2O1)Nc1ccccc1 447086 PNXZASNIXZQSIR-CYBMUJFWSA-N 300.383 2.813 0 50 DFAA Cc1cc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc(C)c1Cl 614091 COHLZOQRXJFCBF-STQMWFEESA-N 311.809 2.971 0 50 DFAA C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COCc1ccc2c(c1)OCO2 4194916 KYOLSRCBZCJERQ-FMKPAKJESA-N 321.417 2.556 0 50 DFAA CC(C)(C)c1cc([C@H]2CC(=O)NCc3nc4ccccn4c32)n[nH]1 67920643 TWOCXPKQAOVVBT-LLVKDONJSA-N 323.400 2.507 0 50 DFAA COC1(c2noc(/C=C/c3cccnc3C)n2)CCOCC1 351117775 QJYRMKJOJYFIGF-AATRIKPKSA-N 301.346 2.596 0 50 DFAA CCOc1cc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)ccc1O 21525119 TYRWVHRLPFIFII-CQSZACIVSA-N 319.386 2.597 0 50 DFAA CC(C)=CCN1CCN(CCCc2ccccc2)C[C@@H]1CCO 20599246 TZWKLUXOJQJOQW-FQEVSTJZSA-N 316.489 2.954 0 50 DFAA Cc1nccn1C[C@@H]1CCCN(Cc2cnn(C)c2C2CC2)C1 72140326 VONYHXIBTGKZKM-OAHLLOKOSA-N 313.449 2.715 0 50 DFAA COc1cc(CNCc2cnn3ccccc23)c2c(c1)C[C@H](C)O2 353038830 OAFAZYMKZDKTCU-ZDUSSCGKSA-N 323.396 2.956 0 50 DFAA Cc1cc(C)c2nc(C)cc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c2c1 77406585 MTEHGMQNXZAJJY-GASCZTMLSA-N 309.413 2.736 0 50 DFAA COc1ccc([C@H](NC(=O)N(C)C(C)C)c2nccn2C)cc1 121374164 LNDWNJNRBMEYPK-HNNXBMFYSA-N 316.405 2.568 0 50 DFAA CCOC(=O)c1cc(C(=O)Nc2cccc(Cl)c2)n(C)n1 2798358 AQGHEWZMWJZDMD-UHFFFAOYSA-N 307.737 2.503 0 50 DFAA Cc1cc(OCC(=O)NC[C@@H](C)CN(C)C)cc(C)c1Cl 2825771 QZWWIMDYLFVOAN-LLVKDONJSA-N 312.841 2.650 0 50 DFAA FCCn1ncnc1CN1CCC[C@@H]1/C=C/c1ccccc1 253426062 FNLZAACWPRIFAG-ROJDOSBLSA-N 300.381 2.925 0 50 DFAA CNCCc1noc(COc2ccc(Cl)cc2Cl)n1 34928788 CMPZCDMDCZMXKR-UHFFFAOYSA-N 302.161 2.717 0 50 DFAA C[C@@H]1CN(Cc2csc(Cc3ccccc3)n2)C[C@@H](C)N1 430941122 UHWWMBGSLRQGMO-ZIAGYGMSSA-N 301.459 2.916 0 50 DFAA Cc1nnc(CC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)o1 329080036 CITMXGIAMYVGCV-UWVGGRQHSA-N 303.337 2.594 0 50 DFAA CCn1nc(C)c(S(=O)(=O)N2CC(C)(C)[C@H]2C(C)C)c1C 331604626 VVJCECPCSLDHGT-CQSZACIVSA-N 313.467 2.575 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)O)C2)nn1C(C)(C)C 236599761 UWDICJZQMBUYAE-LBPRGKRZSA-N 321.421 2.698 0 50 DFAA CC1(C)NC(=O)N(c2ccc3nc(-c4ccccn4)oc3c2)C1=O 446154809 WCABSMUHHNMTNF-UHFFFAOYSA-N 322.324 2.725 0 50 DFAA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ncc[nH]1 72418622 XFLRAXBWHGRMJW-LBPRGKRZSA-N 301.390 2.604 0 50 DFAA O[C@@]1(c2ccc(F)cc2)CCN(Cc2ccc3c[nH]nc3c2)C1 378518213 MHUGLPQKQBKAFN-SFHVURJKSA-N 311.360 2.796 0 50 DFAA Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)c(Cl)c1 333587531 UTNKMHHJPIPBGT-LBPRGKRZSA-N 320.780 2.840 0 50 DFAA CN(C)[C@H]1CCN(Cc2cn(C)nc2-c2cc3ccccc3o2)C1 377634879 ZDGHTEPEYKQLPN-INIZCTEOSA-N 324.428 2.969 0 50 DFAA CC(C)[C@H]1C=CCN1Cc1ccc(OCC(N)=O)c(Cl)c1 215875368 OLGQYZACVBBQMR-CQSZACIVSA-N 308.809 2.601 0 50 DFAA Clc1ccc2ncc(CN3CCC[C@@]4(CCOC4)C3)n2c1 449687639 QLRXBPKOKKYOAX-MRXNPFEDSA-N 305.809 2.990 0 50 DFAA CCC(CC)[C@@H](CCNC(=O)c1nn(C)c2c1CCCC2)OC 450190307 ZFIZDCJBFKHUTR-MRXNPFEDSA-N 321.465 2.870 0 50 DFAA O=C(c1nc2cccnc2s1)N1CCCC[C@@H]1c1cc[nH]n1 286651608 ZJZFHVCAPAZLJN-GFCCVEGCSA-N 313.386 2.782 0 50 DFAA CC(C)n1ccnc1CN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 336858545 ZMPRZOSGPXTBCK-HOTGVXAUSA-N 303.381 2.911 0 50 DFAA O=C(O)CCNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 263294730 VWOOJTKYKHOJEB-SNVBAGLBSA-N 322.258 2.593 0 50 DFAA CC(C)(C)n1ccc(C(=O)NCc2ccccc2-n2cncn2)c1 222599711 SANMDOVQHOIHAD-UHFFFAOYSA-N 323.400 2.754 0 50 DFAA COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C 242324459 ZBLQSLWDMWGYKS-OPQQBVKSSA-N 306.406 2.973 0 50 DFAA O=C1CCC[C@@H](Cc2nc(Cc3c(F)cccc3Cl)no2)N1 290208923 OMSBOUAHAVCAMG-VIFPVBQESA-N 323.755 2.664 0 50 DFAA CC[C@@H](C)CCNC(=O)N1CC(Oc2ccccc2OC)C1 426574658 CLFLSIXFPLORCE-CYBMUJFWSA-N 306.406 2.904 0 50 DFAA OC[C@@H]1CC[C@@H]2CN(c3cccc(Cl)c3Cl)CCN2C1 44126853 LKVYHRWBUJJCGB-VXGBXAGGSA-N 315.244 2.886 0 50 DFAA Cn1nc(C(=O)N[C@H]2COC3(CCCCC3)C2)c2c1CCCC2 426488245 MURQEDCWUWHDBX-CYBMUJFWSA-N 317.433 2.521 0 50 DFAA O=C(C1CCN(Cc2ccco2)CC1)N1C[C@@H]2CCC[C@H]1C2 95353314 RTECMULIWQEYSZ-ZBFHGGJFSA-N 302.418 2.893 0 50 DFAA CCN(CCOc1cccc(Cl)c1)C(=O)c1cc(C)nn1C 97655333 ALMWXYQAGUQRLA-UHFFFAOYSA-N 321.808 2.923 0 50 DFAA CSCCNC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1 426705544 CACZLZRFGJHASN-UHFFFAOYSA-N 310.448 2.643 0 50 DFAA CCCn1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)c1C 237053636 MFGKMXXJQDAJQO-CQSZACIVSA-N 321.421 2.627 0 50 DFAA Cc1nc([C@@H]2COCCO2)n(-c2cc(Cl)ccc2Cl)n1 96150003 QPBAJTNJYQIKPK-LBPRGKRZSA-N 314.172 2.970 0 50 DFAA CC(C)c1nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2[nH]1 96153077 JFJVEDXZIPILPU-LBPRGKRZSA-N 302.378 2.987 0 50 DFAA C[C@@H]1CCCCN1C1CN(Cc2cc(-c3ccncc3)no2)C1 244874848 XIFYXBAHAPZHIZ-CQSZACIVSA-N 312.417 2.795 0 50 DFAA C[C@@H](CNC(=O)c1cnc2n1CCCCC2)c1nccs1 621953462 NWVNQJHRJITHFO-NSHDSACASA-N 304.419 2.600 0 50 DFAA COc1cccc([C@H]2CCN2CC(=O)NC2CCCCC2)c1 243892403 AHUZVCXNGZDSRQ-QGZVFWFLSA-N 302.418 2.891 0 50 DFAA COc1ccc(CN(C)CCn2ccnc2C)c2cccnc12 243914770 BKMWLGYPZPDDEW-UHFFFAOYSA-N 310.401 2.880 0 50 DFAA COc1ccc(CN(C)Cc2ncc(C)c(O)c2C)cc1O 253536201 KWTZOYHVJKVUNT-UHFFFAOYSA-N 302.374 2.750 0 50 DFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1ccc2c(c1)OCO2 299795015 KLGAYIBEAVBBBZ-UHFFFAOYSA-N 314.345 2.680 0 50 DFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)c1cncs1 824564370 AWUPCNYTEVAAQM-UHFFFAOYSA-N 305.359 2.753 0 50 DFAA CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCOC2(CCC2)C1 269088278 ZRJJVFHRBUYKMT-XMHCIUCPSA-N 321.442 2.646 0 50 DFAA Cc1nc2ccccc2n1CCN[C@@H](C)c1cn(C(C)C)nn1 863983667 LUSNKZWVRCPOPA-ZDUSSCGKSA-N 312.421 2.868 0 50 DFAA Cc1nc(-c2ccc(N3CCCCC3)cc2)n(CCCO)n1 670456710 ZDNPETBUYVXKKP-UHFFFAOYSA-N 300.406 2.626 0 50 DFAA CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCCC(=O)N1 270288464 ABZUXTHCCPMHMZ-GFCCVEGCSA-N 310.781 2.734 0 50 DFAA COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1noc(C)n1 1875257147 YBCXZXGYYTVLCW-QMMMGPOBSA-N 324.768 2.600 0 50 DFAA C=CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccccc21 1875367340 CXWXCHSCWMVPLB-CQSZACIVSA-N 316.401 2.823 0 50 DFAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1ccccc1C1CC1 1875399560 CTMXWUYIYLUYSI-NIKGAXFTSA-N 311.429 2.690 0 50 DFAA CC(C)N[C@@H]1CCCN(C(=O)Cc2cccc3ncccc23)C1 878577748 MIGONWLHDQFAPU-MRXNPFEDSA-N 311.429 2.766 0 50 DFAA O[C@@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@H]1F 952969160 SFIAJMCRHNCNHP-IAGOWNOFSA-N 301.361 2.780 0 50 DFAA C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(Cl)cc2O)C1 1434359540 XBSFKLKDFAQPMN-SECBINFHSA-N 305.765 2.603 0 50 DFAA CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2COCCO2)o1 169991938 AYOITPMFDYPRCG-HOCLYGCPSA-N 307.390 2.701 0 50 DFAA O=C(c1cc(F)c(O)c(F)c1)N1CCCCC[C@@H]1c1ncon1 170088172 JCYFSNRLQBHAMH-GFCCVEGCSA-N 323.299 2.811 0 50 DFAA c1cc2c(o1)CCC[C@H]2NCc1ccc(N2CCOCC2)nc1 278163456 BUADEJYSBRUVHZ-MRXNPFEDSA-N 313.401 2.678 0 50 DFAA Cn1nc2c(c1NC(=O)CSCc1ccccn1)CCCC2 601841568 BBNLFJSMJNHIIM-UHFFFAOYSA-N 316.430 2.566 0 50 DFAA C[C@H](CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccccc1 190013922 YGYAUQKOJRKEMU-RPVQJOFSSA-N 313.401 2.560 0 50 DFAA Cc1nc([C@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)[C@H](C)O)cs1 585126663 FMPORWJHISTMOF-PBNMUELISA-N 308.447 2.816 0 50 DFAA Clc1cnn(CCN2CCC(CCn3cccn3)CC2)c1 1506406316 JDNWZNMBHGKLIE-UHFFFAOYSA-N 307.829 2.535 0 50 DFAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@]1(C)CCN(C)C1 1529110785 OUQSNQJHYXITNR-GOSISDBHSA-N 312.417 2.676 0 50 DFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCCCCC1 12762090 GLRWPXJYMSLALU-UHFFFAOYSA-N 318.808 2.996 0 50 DFAA CN1CCC[C@H](CN(CCc2ccccc2)CC(C)(C)CO)C1 14973641 LEYJWIRJHIMMAP-IBGZPJMESA-N 318.505 2.891 0 50 DFAA COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(C)=O 16031660 SJMXPJVQCGHRGM-CGTJXYLNSA-N 303.402 2.910 0 50 DFAA biogenic CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(CC)CC1 16602902 KLSMROKVVOOPPH-QGZVFWFLSA-N 304.434 2.625 0 50 DFAA CCN(CCN(C)C)C1CCN(CCc2ccccc2)CC1 19636739 HRQBFEOQIQNCAL-UHFFFAOYSA-N 303.494 2.577 0 50 DFAA CCCNC(=O)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 169759632 GHKNBTWHAZQWCF-HNNXBMFYSA-N 319.792 2.948 0 50 DFAA CCN1CCC[C@H](n2ccnc2-c2ccc(C(=O)OC)cc2)C1 1857679654 PJCOUQSQHFGOQG-INIZCTEOSA-N 313.401 2.994 0 50 DFAA O=C1C[C@H](c2ccc(-c3cccc(-n4cnnc4)c3)cc2)CN1 1875249873 HGCZNNQLWWXCTG-INIZCTEOSA-N 304.353 2.538 0 50 DFAA NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 4241006 NCYLHRNUKHCMDE-UHFFFAOYSA-N 303.231 2.884 0 50 DFAA in-vitro CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(C2CC2)[nH]c1C1CC1 626360010 DCFTXKUCOVEBPH-GFCCVEGCSA-N 316.323 2.765 0 50 DFAA O=C(c1ccccc1Cl)N1CCC[C@H](n2ccnn2)CC1 636183718 VWVYTYYOKXNPJZ-LBPRGKRZSA-N 304.781 2.799 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)CCc3cc(F)ccc3F)C2)n1 331618039 SREAXUGGKSHHRB-LBPRGKRZSA-N 321.327 2.605 0 50 DFAA C[C@@H](NC(=O)c1ccc(C(=O)O)s1)[C@@H]1COc2ccccc21 237523751 MRFZIROFVSSFQH-KOLCDFICSA-N 317.366 2.741 0 50 DFAA O=C(COc1ccccc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348266350 XWMMIRNFTPBMST-DOTOQJQBSA-N 315.344 2.539 0 50 DFAA CCC(=O)N1CCC[C@H](C(=O)NCc2coc3ccccc23)C1 352376903 CIDTZTBHTGHSII-ZDUSSCGKSA-N 314.385 2.698 0 50 DFAA O=C(NC1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1)C1CC1 252537756 MFSXNQDIFDYCQV-QGZVFWFLSA-N 320.477 2.859 0 50 DFAA COc1ccc(S(=O)(=O)N[C@H](C)c2ncccc2F)c(C)c1 585141947 JOAKUYSRYHNAFU-LLVKDONJSA-N 324.377 2.577 0 50 DFAA O=C1NCCN1Cc1ccccc1NCc1cc2cnccc2[nH]1 2325858224 DTUOWOUHBJXNBB-UHFFFAOYSA-N 321.384 2.700 0 50 DFAA O=C(NCc1ccc2cncn2c1)c1cc2ccsc2c(O)n1 2325879533 YMGWKMFAYIXFTM-UHFFFAOYSA-N 324.365 2.580 0 50 DFAA COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2)CC1 38764 LJAVYUYIBHAICS-UHFFFAOYSA-N 310.397 2.966 0 50 DFAA CCOC(=O)c1cnc2cc(-c3ccccc3Cl)nn2c1O 377912 VQWJSWLKWLMERA-UHFFFAOYSA-N 317.732 2.932 0 50 DFAA CCOCc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 2191229 BPPFULQOTGGPFE-UHFFFAOYSA-N 311.794 2.909 0 50 DFAA Cc1cccc(Nc2nc(N3CCOCC3)ncc2F)c1C 3219792 OPTVYLMTEMPZAA-UHFFFAOYSA-N 302.353 2.813 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)cc1C 2356164969 NSWZFQJGWIFEFK-GOSISDBHSA-N 300.402 2.530 0 50 DFAA Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1C 7234960 POCQZBGIZAJBQQ-UHFFFAOYSA-N 314.773 2.647 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccn[nH]2)c1 225831013 DVWSGNLLTJZLPW-CQSZACIVSA-N 305.403 2.552 0 50 DFAA CSc1cccc(NC(=O)CNC(=O)c2cccc(F)c2)c1 28666205 JAXRIVADGNXEBN-UHFFFAOYSA-N 318.373 2.916 0 50 DFAA O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@H]1Cn1cccn1 247824941 ITDCHTKFBXZPKE-NUEKZKHPSA-N 313.376 2.817 0 50 DFAA Cc1cc(C(=O)Nc2ccc(NC(=O)Cc3c[nH]cn3)cc2)co1 55327213 ARFVGTWGKRMIKX-UHFFFAOYSA-N 324.340 2.745 0 50 DFAA COc1cc(OC)c(CN2CC[C@H]3CC[C@@H](C2)N3)cc1Cl 102542757 ZLQYGDOPTSJLJH-OLZOCXBDSA-N 310.825 2.684 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H]1Cn1cccn1 69918870 UPEZSFSJMJGWRI-OAHLLOKOSA-N 322.368 2.843 0 50 DFAA COc1ccccc1NC(=O)CCC1CCN(C(C)=O)CC1 173016572 DPPKGYXMZJTBRT-UHFFFAOYSA-N 304.390 2.672 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCCc3c[nH]nc32)nn1[C@H](C)C1CC1 329392544 VVDPQUCDSPBNMI-BXUZGUMPSA-N 313.405 2.693 0 50 DFAA Cc1ccccc1[C@H]1CN(c2ncnc3n[nH]cc23)[C@@H](C)CO1 487639375 HAWSSJPAEPSEIK-SWLSCSKDSA-N 309.373 2.628 0 50 DFAA CCOc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1OC 133098426 IXIWLXFULLNPDO-LBPRGKRZSA-N 315.373 2.876 0 50 DFAA COc1ccc([C@H](NCc2n[nH]cc2C)C2CCOCC2)cc1 368073365 RIFMAFHJDYNWBU-SFHVURJKSA-N 315.417 2.984 0 50 DFAA CN(Cc1cc2ccccc2s1)C(=O)c1ccc(=O)n(C)c1 215776824 LPLGOSZXZVUHFC-UHFFFAOYSA-N 312.394 2.872 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)NC2CCC(F)(F)CC2)C1 341923095 IQKOIZUBGZIXTI-LLVKDONJSA-N 318.364 2.549 0 50 DFAA O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1 238053986 NYZCTXRIVONBDF-UWVGGRQHSA-N 316.279 2.631 0 50 DFAA O=C(C[C@H]1CCNC1)N(Cc1cccnc1)C1CCCCC1 215358083 TWHNGJONYKRYRH-OAHLLOKOSA-N 301.434 2.743 0 50 DFAA CC[C@H]1CN(c2nc(C)nc3onc(C)c23)CCN1C(C)C 77542231 WRRBFTXGJBOPBP-ZDUSSCGKSA-N 303.410 2.544 0 50 DFAA COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1sccc1Cl 241776872 RTFSQSYAFAPHJI-ZCFIWIBFSA-N 315.700 2.625 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@H](C(=O)O)c3ccccc32)s1 131941827 ZKQHPCHJXOMIEU-NSHDSACASA-N 302.355 2.589 0 50 DFAA O=C(Cn1cccn1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71754494 WDEGDZUPUGBYKS-INIZCTEOSA-N 315.392 2.894 0 50 DFAA CCc1ccccc1OC1CN(Cc2ccc(N(C)C)nc2)C1 72159275 NWGIYXPRWBLBPR-UHFFFAOYSA-N 311.429 2.973 0 50 DFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 46669180 RVOZCKLNMSYGJP-UHFFFAOYSA-N 321.396 2.938 0 50 DFAA CCOc1cccc([C@@H](C)NC(=O)c2ncn(C(C)(C)C)n2)c1 292316692 MBIPWFOFCCNKDD-GFCCVEGCSA-N 316.405 2.923 0 50 DFAA Cc1cc(CN(C)C(=O)NCCCN(C)C2CCCC2)ccn1 426652901 LVIRLAQBWGOQNG-UHFFFAOYSA-N 318.465 2.796 0 50 DFAA CCCn1nc(C)c(CN[C@H]2CCOC3(CCOCC3)C2)c1C 82083527 XBIPIDPCZLQAJL-INIZCTEOSA-N 321.465 2.728 0 50 DFAA COc1c(Br)cccc1B1OC(C)(C)C(C)(C)O1 230548339 ZVOBCQKPGKINJW-UHFFFAOYSA-N 313.000 2.757 0 50 DFAA COC[C@]1(C)CCN(C(=O)c2nc(C(C)C)ncc2Cl)C1 294176714 JUSFEWFEYSKZON-OAHLLOKOSA-N 311.813 2.752 0 50 DFAA COC[C@H](Nc1nccc(-c2ccccn2)n1)c1ccccn1 97474992 NDXQSIJGBQEINP-INIZCTEOSA-N 307.357 2.733 0 50 DFAA Cc1sc2nc(CNC(=O)[C@@H]3CCCCCN3C)cn2c1C 91644115 JEDFRESCGGADSQ-AWEZNQCLSA-N 320.462 2.503 0 50 DFAA Cc1ccc(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c(F)c1 92066469 JKFMJGUYGLORGA-UHFFFAOYSA-N 318.392 2.609 0 50 DFAA CNC(=O)c1ccccc1C[C@@H]1COc2c(cccc2OC)C1 95519481 GLPWKZKAERPENM-ZDUSSCGKSA-N 311.381 2.849 0 50 DFAA Cc1cc(C)c(CNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)cn1 95381181 DMHMUFPZOMKDJL-QGZVFWFLSA-N 315.392 2.757 0 50 DFAA COc1ccc(CN2CCN3CCC[C@H]3[C@H]2C)c(OC)c1C 243900961 AXVYFBKTVIYUKR-ZBFHGGJFSA-N 304.434 2.681 0 50 DFAA Cc1nc(C)c(F)c(NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)n1 624677902 GFIPTLVRVJCUHA-SMDDNHRTSA-N 305.357 2.535 0 50 DFAA O=C(Nc1ccon1)N1CCC[C@H]1c1ccc2c(c1)OCO2 183606590 JWSMRKDCEYGRNY-NSHDSACASA-N 301.302 2.772 0 50 DFAA O=C(NCc1ccc2nc(O)[nH]c2c1)[C@H]1CCc2ccccc21 345104888 VMYHFPRCLLXECB-AWEZNQCLSA-N 307.353 2.615 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCCS1)CC2 299743858 PNPBIFCNLLUDMX-RYUDHWBXSA-N 307.463 2.650 0 50 DFAA Cc1nccn1C[C@H](C)NCCc1nc2ccc(Cl)cc2[nH]1 584886875 CMOLTXQENVKZRM-NSHDSACASA-N 317.824 2.942 0 50 DFAA Oc1nc(Cc2cnsn2)nc2sc3c(c12)CCCC3 585137095 HZYOCMRZBWPMJN-UHFFFAOYSA-N 304.400 2.718 0 50 DFAA O=C(C[C@H]1CC[C@H](C2CC2)O1)NC12CCC(C(=O)O)(CC1)CC2 1875304634 PWRZAXLBSAHBSG-JDPPGYRCSA-N 321.417 2.628 0 50 DFAA CC1(C)C[C@H](NC(=O)Nc2cc(Cl)ccc2F)C(=O)O1 952847838 CVNNTSXBEBVJOX-JTQLQIEISA-N 300.717 2.695 0 50 DFAA COC(=O)c1ccc(CNc2cnc(OC(F)F)c(C)c2)nc1 1875279808 FGVSLCLXHRGODW-UHFFFAOYSA-N 323.299 2.785 0 50 DFAA O=C(Cc1cccc(Cl)c1)N[C@H]1C(=O)Nc2ccccc21 1875262952 VUBSBHMPIGVOQV-OAHLLOKOSA-N 300.745 2.692 0 50 DFAA Cn1cnnc1-c1ncc(-c2cccc(C(F)(F)F)c2)cn1 1875290372 YEWDKFSPBFRQHQ-UHFFFAOYSA-N 305.263 2.958 0 50 DFAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc2nc[nH]c2c1F 886599981 KNTDAKOQZAZXKE-GFCCVEGCSA-N 318.396 2.504 0 50 DFAA CCn1cc([C@H]2CN(c3cccc(F)c3C(C)=O)CCO2)cn1 276776821 NXLAVMXXSHILJN-MRXNPFEDSA-N 317.364 2.823 0 50 DFAA C[S@@](=O)c1ccc(NC(=O)Nc2ccc(O)cc2)cc1F 170600068 LKLVEMOXZFBSIO-OAQYLSRUSA-N 308.334 2.913 0 50 DFAA C[C@@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1nc[nH]n1 187762521 FEZRCOZCNTZANT-SECBINFHSA-N 324.306 2.733 0 50 DFAA CC(C)n1c(SC[C@H]2CC3(CCC3)C(=O)O2)nnc1N(C)C 187982129 PYFQUQPGVQENOU-LLVKDONJSA-N 324.450 2.503 0 50 DFAA NC(=O)C1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 408513187 JANCJQWLUUYIFD-SJORKVTESA-N 316.445 2.585 0 50 DFAA COc1ccc([C@](C)(O)[C@@H]2CCCN2CCC(C)(C)O)cc1 225525344 QHLRLQMAGSOKMW-WMZOPIPTSA-N 307.434 2.528 0 50 DFAA CN(C)c1ccc(NC(=O)N(Cc2ccccn2)C2CC2)nc1 193832552 QEFOKWKKYCIPTA-UHFFFAOYSA-N 311.389 2.739 0 50 DFAA Cc1ccc(-c2nnc3s/c(=C\c4ccccc4)c(=O)n23)cc1 90781 FBJIHAUQTQBEGQ-PTNGSMBKSA-N 319.389 2.674 0 50 DFAA CCOc1cccc(Cc2noc(C3(OC)CCCC3)n2)n1 1614997971 QLEYZXHFNSZXRK-UHFFFAOYSA-N 303.362 2.870 0 50 DFAA C[C@@]12C[C@@H](NC(=O)N1CCCO)c1ccc3ccccc3c1O2 1615612697 LASSJHZNSOJMPF-CRAIPNDOSA-N 312.369 2.787 0 50 DFAA CCc1noc(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 13328749 CBZQVLRURCDORN-VIFPVBQESA-N 302.330 2.765 0 50 DFAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccncc1 14566857 QEZSSWVJKBHJJM-UHFFFAOYSA-N 309.369 2.960 0 50 DFAA Cc1cc(Cl)ccc1-c1nccn1C[C@@H]1CC(=O)N(C)C1 1857667172 BVQOIPPVKUNZBM-GFCCVEGCSA-N 303.793 2.990 0 50 DFAA Cc1ccc(-c2nccn2CCN2CCOCC2)c2cccnc12 1857693322 RHFZVYIJFPMFFZ-UHFFFAOYSA-N 322.412 2.739 0 50 DFAA CC[C@]12COC(=O)N1CCN(CCCOCc1ccccc1)C2 1857704850 IDSZUNFDZDTXBY-SFHVURJKSA-N 318.417 2.510 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)[C@H]2C[C@@H](C)O[C@H]2C)cc1)C(=O)O 630163055 RYZKJUGHEGQDQD-OXIQGZBJSA-N 305.374 2.702 0 50 DFAA COCCNCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 237237937 QVVCELWSUPZBNM-UHFFFAOYSA-N 320.339 2.806 0 50 DFAA O=C(NCCc1cn[nH]c1)N1CCC[C@H]1c1ccc(F)cc1F 454973330 LVDQQVRJAQRLKO-HNNXBMFYSA-N 320.343 2.777 0 50 DFAA Cn1nc(N)cc1C(=O)N1CCC[C@@H]1c1ccccc1Cl 912395842 VEOYBUNXIUKTGU-GFCCVEGCSA-N 304.781 2.633 0 50 DFAA CN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1 105023 RXWHSQPUNDULPX-UHFFFAOYSA-N 306.373 2.990 0 50 DFAA COC12CCC(c3cn(C[C@H]4OCCC4(C)C)nn3)(CC1)C2 2325777090 CFXMIBVNIAKXLX-ODIFPOPNSA-N 305.422 2.694 0 50 DFAA COC[C@@H]1CC[C@H](C(=O)Nc2cnccc2-n2cc(C)cn2)C1 2325805748 QEEUCGYECNIFNC-KGLIPLIRSA-N 314.389 2.577 0 50 DFAA COc1cc(C(=O)NCc2ccccc2)cc(OC)c1OC 162989 IUHYGONSJUAHBM-UHFFFAOYSA-N 301.342 2.642 0 50 DFAA biogenic COc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)=[N+]2[O-])cc1 454324 BXHARHWTXGNMMQ-SCLBCKFNSA-N 312.369 2.961 0 50 DFAA Cc1cc(C)c2c(c1)NC(=O)[C@@]2(O)CC(=O)c1cccs1 565333 NDNYEMCSGWHEIG-MRXNPFEDSA-N 301.367 2.778 0 50 DFAA CN(C)c1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 1461181 CCGQNAIXVJYJRU-CYBMUJFWSA-N 310.353 2.955 0 50 DFAA COC[C@@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 2356139267 OPSAYHGGLKWOIO-GFCCVEGCSA-N 316.357 2.903 0 50 DFAA O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)C1CC1 2822653 OMOBFLMHOLZPOI-UHFFFAOYSA-N 306.321 2.836 0 50 DFAA CC(=O)Nc1ccc(O[C@@]2(C)OC(=O)c3ccccc3O2)cc1 2019985 ZAPRLADYRFPQSH-QGZVFWFLSA-N 313.309 2.947 0 50 DFAA in-man CC(C)(C)OC(=O)N1CCC[C@](Cc2ccccn2)(C(=O)O)C1 6417008 QLRFGRWPXIPAGX-QGZVFWFLSA-N 320.389 2.726 0 50 DFAA COCCc1nnc2sc(/C=C/c3ccc(OC)cc3)nn12 6670151 XOWKLJWJNMUJDS-VMPITWQZSA-N 316.386 2.554 0 50 DFAA Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)no2)cc1 6857925 FTSHWWMFRCWPLM-UHFFFAOYSA-N 310.357 2.667 0 50 DFAA CC(=O)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O 9237088 IWPNNPWLCGPQDT-UHFFFAOYSA-N 321.380 2.780 0 50 DFAA NC(=O)COc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 55402480 IVETWKPCLNYSQJ-UHFFFAOYSA-N 301.733 2.747 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 59740361 SICPVCWKJOFKHT-QLFBSQMISA-N 308.466 2.776 0 50 DFAA Cc1ccsc1CN1CCC(Cn2cc([C@@H](C)O)nn2)CC1 23214005 CNTOJYGOPPMGQN-CYBMUJFWSA-N 320.462 2.614 0 50 DFAA CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CCC1=O 64166521 ANGGMFVRAWVHIX-UHFFFAOYSA-N 316.323 2.639 0 50 DFAA CC1(C(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 120004231 GPNORDRIMMSDMV-LBPRGKRZSA-N 308.372 2.846 0 50 DFAA CCCOc1ccc(OCCCCN2CCN(C)CC2)cc1 20639419 ALMHHBPZBPZRRH-UHFFFAOYSA-N 306.450 2.882 0 50 DFAA CC(C)Oc1cccc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 252477785 VNUBKMIHKLMXMD-APHBMKBZSA-N 318.417 2.754 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@H]1N(C)C 252506494 TZHXCKALVMCYNN-FPMFFAJLSA-N 310.825 2.706 0 50 DFAA O=C(Nc1ccc2nccnc2c1)[C@H]1CCO[C@@H]1c1cccnc1 358493028 KTTJBPKGFPQYCS-WMLDXEAASA-N 320.352 2.741 0 50 DFAA CCN(CCOc1ccc(C)cc1)C(=O)c1c(O)cccc1O 67955136 BJOWXJJZEOEVEG-UHFFFAOYSA-N 315.369 2.947 0 50 DFAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@]1(C)CC=CCC1 333719729 HXTSDZBKYGGGDC-MRXNPFEDSA-N 300.362 2.612 0 50 DFAA CC[C@@H](C(=O)Nc1ccc(C2CC2)nn1)c1c(C)noc1C 329336410 PFTJWTFBTLJORT-GFCCVEGCSA-N 300.362 3.091 0 50 DFAA Cc1nnc(-c2cccc(NC(=O)C(F)(F)C(=O)C(C)C)c2)o1 253404865 UPRHHXKHIUSOTM-UHFFFAOYSA-N 323.299 2.844 0 50 DFAA COc1c(F)cc(-c2nccn2CCn2ccnc2)cc1F 67643624 BHKZIAJSEALUJN-UHFFFAOYSA-N 304.300 2.734 0 50 DFAA CCOc1ccc2nc(NC(=O)c3cnn(C)c3C)sc2c1 2763969 AVSRTBPMSZXECP-UHFFFAOYSA-N 316.386 2.989 0 50 DFAA CCOC(=O)[C@H](C)Oc1ccc(I)cc1 2731933 SHBODRNPEFIEIG-QMMMGPOBSA-N 320.126 2.622 0 50 DFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC1CSCCSC1 219506971 XQTDMIBJLXBJNK-HUUCEWRRSA-N 317.520 2.565 0 50 DFAA O=C(NC[C@@H]1C[C@H]1C1CCC1)N1CC[C@H](n2cc(Cl)cn2)C1 333389051 LSIKBQYAAHZIGN-QEJZJMRPSA-N 322.840 2.929 0 50 DFAA O=C(c1ccncc1)N1CC[C@@H](NCc2ccc3occc3c2)C1 367133065 JBMUMZYOECCEGP-QGZVFWFLSA-N 321.380 2.832 0 50 DFAA Cc1ccc([C@@H](C)CCN2CCN(Cc3noc(C)n3)CC2)o1 215077403 VFZKCZXNLDPEKJ-ZDUSSCGKSA-N 318.421 2.591 0 50 DFAA CCCO[C@H]1CCCN(C(=O)c2cnc(C(C)C)nc2C)C1 71589631 KHKHJKSOTMBJGM-AWEZNQCLSA-N 305.422 2.940 0 50 DFAA CCOC1(C)CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 452281950 GXXDODQONBBCQE-UHFFFAOYSA-N 318.348 2.661 0 50 DFAA CSC[C@@H](C)C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 863947747 DXYIWOQNVXOKKX-OCCSQVGLSA-N 315.442 2.945 0 50 DFAA C=Cn1cc(C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)cn1 71714497 HWHQUXZQXKRCKA-UHFFFAOYSA-N 309.373 2.749 0 50 DFAA CO[C@H](C)c1cccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)c1 241173046 KFOXKXYRJZQTFU-VJOHVRBBSA-N 318.417 2.923 0 50 DFAA CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CCCO2)C1 241371307 MMJFNMQUIYXZSW-IGQOVBAYSA-N 300.468 2.870 0 50 DFAA O=C(O)CNC(=O)c1ccc2ccn(Cc3ccccc3)c2c1 218158786 CNZNRDHRDYXGBR-UHFFFAOYSA-N 308.337 2.504 0 50 DFAA Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@H]1CCCOC1 286740140 QIFNPYAEEBJDCW-SECBINFHSA-N 303.189 2.853 0 50 DFAA C[C@]1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCCOC1 263506915 BJABAVYUAPDBFS-INIZCTEOSA-N 303.314 2.886 0 50 DFAA CNC[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 179011337 HYJXCKSDKNXAIG-URWSZGRFSA-N 312.335 2.787 0 50 DFAA CCN1C(=O)C2=C(CCCC2)[C@@H](C(=O)Nc2ccccc2)C1=O 44125785 XDCHIOKOYSYFDM-HNNXBMFYSA-N 312.369 2.501 0 50 DFAA Cn1nccc1C(=O)N1CCc2c(Cl)cc(Cl)cc2C1 135603721 KRESBIWXXRLPGQ-UHFFFAOYSA-N 310.184 2.925 0 50 DFAA COCC1(CNC(=O)Cc2ccc(O)c(Cl)c2)CCCC1 223867314 KKUWMCAHAVTNFE-UHFFFAOYSA-N 311.809 2.911 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc2c(c1)C[C@@H](C)O2 426632816 ARFLXTABANXASF-LLVKDONJSA-N 313.401 2.665 0 50 DFAA CC[C@@H](Cn1ccnc1)NC(=O)Cc1c(F)cccc1Cl 222480476 WYPNMSJYRLYORF-NSHDSACASA-N 309.772 2.813 0 50 DFAA CC(C)(C)n1nc(Cc2cccs2)nc1[C@@H]1COCCO1 96152420 QJUPRYZVRVGUSA-LBPRGKRZSA-N 307.419 2.773 0 50 DFAA CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1c(F)cc(F)cc1F 162688291 NCGUINCMVKAQPW-MRVPVSSYSA-N 303.280 2.516 0 50 DFAA CCCn1cc(C(=O)NCCOc2ccccc2F)c(C)n1 92028405 PTFKZAGVIWCBNN-UHFFFAOYSA-N 305.353 2.549 0 50 DFAA CC(C)c1ccc(C(=O)N2CCC[C@]3(CCCO3)CC2)c(=O)[nH]1 97729602 JTGKACNWHWQESX-SFHVURJKSA-N 318.417 2.674 0 50 DFAA CCCn1ccnc1-c1c(-c2ccccc2)ncn1CC(=O)O 91651084 QJZAJBYYGKZCBY-UHFFFAOYSA-N 310.357 2.908 0 50 DFAA C[C@H]1CCCCN1C1CN(Cc2cc(-c3ccncc3)no2)C1 244874847 XIFYXBAHAPZHIZ-AWEZNQCLSA-N 312.417 2.795 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)Cc1nnc(-c2ccco2)o1 244715812 LCVDKLOZAQEQLW-UHFFFAOYSA-N 315.377 2.734 0 50 DFAA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C(C)C)nc2onc(C)c12 253410520 NLMATDJYFCBUNC-QMTHXVAHSA-N 319.405 2.791 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2=O 253596379 QQIVKFZWLZJXJT-HHHNKWSNSA-N 304.430 2.850 0 50 DFAA COc1ccccc1OCCN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 299744513 SQWLJCOWUWPUAR-ILXRZTDVSA-N 319.401 2.792 0 50 DFAA O=C(CCc1ccncc1)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 252528038 DYSOERRSZYOKBX-ZIFCJYIRSA-N 310.397 2.643 0 50 DFAA CCn1nc(C)c(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1C 263847101 TZXAUQCGQCYDFK-UHFFFAOYSA-N 324.388 2.866 0 50 DFAA COc1ccc(CCCNC(=O)c2ccc3ccn(C)c3n2)cc1 1940196954 HJVQIAZIQNHHPZ-UHFFFAOYSA-N 323.396 2.945 0 50 DFAA N[C@H](C(=O)NC1CCN(c2ccccc2)CC1)C1CCCCC1 299781032 DAIPLNDTVKLYOZ-SFHVURJKSA-N 315.461 2.679 0 50 DFAA CN(CCC1(O)CCCC1)C(=O)c1cccc2c1CCC2=O 584902222 VUDRAVPARBZHRS-UHFFFAOYSA-N 301.386 2.583 0 50 DFAA Nc1nc(CCCN[C@H]2CCN(c3ccccc3)C2)cs1 827597711 FMGLTPGFMHZJJY-ZDUSSCGKSA-N 302.447 2.526 0 50 DFAA Cc1nnc([C@]23CCC[C@H]2CN(CCc2c(C)noc2C)C3)o1 952849134 HYEFTYNRNVKMFC-YOEHRIQHSA-N 316.405 2.579 0 50 DFAA CCc1nnc([C@H]2CCCN(C(=O)CC(C)(F)F)[C@H]2C)o1 952852742 POSMEEBRVGPDQX-UWVGGRQHSA-N 301.337 2.772 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@]2(C)C[C@H]3CC[C@H]2O3)[nH]1 1875266403 FVUMNIZAZLNKNY-QBIMZIAESA-N 310.401 2.638 0 50 DFAA O=S(=O)(Cc1nnc(C2CC2)s1)Cc1ccccc1F 1875279294 NCRPWEFQTKFPEN-UHFFFAOYSA-N 312.391 2.670 0 50 DFAA Cc1nn2c(CN[C@H]3CCOC4(CCC4)C3)c(C)nc2s1 271234514 ROTKWBZQDVRFAE-LBPRGKRZSA-N 306.435 2.599 0 50 DFAA CC1(C)CC[C@H](CCNC(=O)c2cnc3n2CCCC3)OC1 887416497 MCPQRTYWINJLDM-CYBMUJFWSA-N 305.422 2.545 0 50 DFAA CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N(C)Cc1cnc[nH]1 1775988305 HYWKXICONDWPLW-HNNXBMFYSA-N 323.343 2.750 0 50 DFAA Cc1cc(=O)c(OCC(=O)N2c3ccccc3CC[C@H]2C)co1 187393357 WCSSZJQJBCCIID-GFCCVEGCSA-N 313.353 2.695 0 50 DFAA O=C(O)CC[C@H]1CCCCN1Cc1cccc2c1CCOC2 634693250 TVEMDXSBGHJUSW-MRXNPFEDSA-N 303.402 2.979 0 50 DFAA CO[C@@H](C)C(=O)Nc1c(N2CCCC2)cccc1N1CCCC1 110274189 UYUJNMMVDYUNTH-AWEZNQCLSA-N 317.433 2.860 0 50 DFAA FC(F)(F)Cn1nnnc1CN1CCC[C@]2(CC=CCC2)C1 190893134 IHUXDWZUPPIRMV-CYBMUJFWSA-N 315.343 2.558 0 50 DFAA Fc1ccccc1OCc1noc([C@H]2CCn3ccnc3C2)n1 193228404 VQIYOLLWHVQFSE-NSHDSACASA-N 314.320 2.714 0 50 DFAA Cc1cccc(-n2cc(C(=O)OCc3cc(C)sn3)nn2)c1 193538301 HLAXBAWIDGYABN-UHFFFAOYSA-N 314.370 2.698 0 50 DFAA CCCCOC[C@H](O)CN[C@@H](C)c1cccc(-n2ccnc2)c1 195215924 VPEAKMUWRBWQLP-MAUKXSAKSA-N 317.433 2.701 0 50 DFAA COCCC(=O)N1CCC(NCc2ccc(C)c(Cl)c2)CC1 195446562 XNABCDDBEFWSEF-UHFFFAOYSA-N 324.852 2.766 0 50 DFAA Cc1nc([C@H](C)N(C)C(=O)CCc2ccnn2C)c(C)s1 1506396378 HPSOOOALUZKANY-JTQLQIEISA-N 306.435 2.646 0 50 DFAA CC[C@@H](OC)C(=O)Nc1nnc(Cc2cccc(C)c2)s1 1506402606 PZJHNFPTQAUJBE-GFCCVEGCSA-N 305.403 2.801 0 50 DFAA CCn1ncc(C)c1NC(=O)[C@@H](c1ccccc1F)N(C)C 1529179753 DHQVCPJOPAIHLO-CQSZACIVSA-N 304.369 2.592 0 50 DFAA CC(=O)c1ccc(OS(=O)(=O)CC(C)(C)C(F)F)cc1 1615587729 QUYJXYGVWFEQGE-UHFFFAOYSA-N 306.330 2.889 0 50 DFAA O[C@@H]1C[C@@H]2CN(C3CCN(c4ccccc4Cl)CC3)C[C@@H]21 1772711844 GHVMGURWVWKHSD-HACGYAERSA-N 306.837 2.621 0 50 DFAA COc1cccc(C2=NO[C@@H](C(=O)NCc3cccs3)C2)c1 5029569 RTRSXDYDUKSQJA-OAHLLOKOSA-N 316.382 2.566 0 50 DFAA COc1ccc(-c2nnc(Cn3nnc4ccccc43)o2)cc1 5917894 BEMYRHHOOHHPTJ-UHFFFAOYSA-N 307.313 2.538 0 50 DFAA CC(C)(C)CN1CCc2nnc(CCc3ccccc3)n2CC1 12037294 RGTASIOVUYHFKG-UHFFFAOYSA-N 312.461 2.968 0 50 DFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2CCSC)c1 12191712 LOCKZFCYJIRCNU-HNNXBMFYSA-N 322.474 2.529 0 50 DFAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1cccnc1 12380706 RWBHJIDFUKROTR-SNVBAGLBSA-N 308.740 2.958 0 50 DFAA CCCN1CCN(C(=O)COc2cc(C)ccc2Cl)CC1 16605401 CZUXOSNWZIABCU-UHFFFAOYSA-N 310.825 2.581 0 50 DFAA Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(F)c1 17855816 GFVAIUUYXBUOFQ-UHFFFAOYSA-N 300.333 2.811 0 50 DFAA COc1cc(-c2nccn2CCc2cnn(C)c2)ccc1F 1857672656 VZBGHSCEORAMQT-UHFFFAOYSA-N 300.337 2.674 0 50 DFAA CCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCCS2)CC1 126470627 NNFGECFSMJOJRX-ZIAGYGMSSA-N 300.468 2.873 0 50 DFAA O[C@@H]1CCCC[C@H]1Nc1nc(-c2cccnc2)nc2c1CCC2 267005804 DXPROEGORMTWNV-HZPDHXFCSA-N 310.401 2.743 0 50 DFAA Cc1noc(C)c1C(C)(C)NC(=O)c1nccc2cccnc12 935963808 VLZSJMPKWCZRIY-UHFFFAOYSA-N 310.357 2.900 0 50 DFAA O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CCCNC1 237734026 IHLUZJHBGJEMDQ-GFCCVEGCSA-N 301.217 2.794 0 50 DFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1 3905798 NCKJPDLWDVILNU-AWEZNQCLSA-N 320.414 2.529 0 50 DFAA O=C(N[C@@H](O)C(=O)c1ccc(F)cc1)c1cccc2ccccc12 2050025022 OFVWTBWTEICGSN-IBGZPJMESA-N 323.323 2.910 0 50 DFAA c1ccn2nc(CNCCc3ccc4c(c3)COCC4)cc2c1 2325777687 VKJJVHKQFLJJPQ-UHFFFAOYSA-N 307.397 2.739 0 50 DFAA O=C(Cn1nnc2ccccc21)N1C[C@H](F)C[C@H]1c1ccccc1 2325790341 GQBCAIZGIZLWDW-PBHICJAKSA-N 324.359 2.743 0 50 DFAA CC[C@H]1CCC[C@H](CNC(=O)NCCN(C)CC(F)F)C1 2325864883 CLHAXBURIAESHU-STQMWFEESA-N 305.413 2.699 0 50 DFAA CCc1cc(CN2CCC[C@]23CCCN(C(C)C)C3=O)on1 2356135732 QTOAYTUGJQBFFH-QGZVFWFLSA-N 305.422 2.602 0 50 DFAA COC(=O)c1ccc(NC(=O)[C@@H]2C(C)=C2c2ccccc2)nc1 2356139488 YRFBZTIMNUPMMW-MRXNPFEDSA-N 308.337 2.910 0 50 DFAA Cc1cc([C@H](C(=O)O)N2Cc3ccccc3C2=O)cc(C)c1O 2356164773 GHSMWKMFJBHKKY-OAHLLOKOSA-N 311.337 2.791 0 50 DFAA Cc1cccc(OC[C@H](O)CN2C(C)(C)CC(O)CC2(C)C)c1 4196947 XVIRNTHUBHEEBY-MRXNPFEDSA-N 321.461 2.749 0 50 DFAA Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 7504522 SASWHVQGUPGIBV-UHFFFAOYSA-N 310.397 2.762 0 50 DFAA CCCCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1 9061905 WTICYOLHXGPXGD-UHFFFAOYSA-N 320.414 2.739 0 50 DFAA Cn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C3CC3)nc21 20604014 FCMLBAGTZHJCDG-UHFFFAOYSA-N 301.293 2.887 0 50 DFAA FC(F)CN(Cc1cccc(CN2CCOCC2)c1)C1CC1 420911434 GOVQZBCRTQBRKF-UHFFFAOYSA-N 310.388 2.748 0 50 DFAA Cn1c(SCc2cccc(F)c2)nnc1C1CCNCC1 62152628 PNZMMVMGVSGGHJ-UHFFFAOYSA-N 306.410 2.714 0 50 DFAA CC(=O)N[C@H](C)c1ccc(-n2ccc(-c3cnccn3)n2)cc1 65528413 LTSCSJOYNFOMTR-GFCCVEGCSA-N 307.357 2.526 0 50 DFAA CCn1cc(CNC(=O)[C@]2(c3cccs3)CC2(C)C)cn1 67773546 VWRQNUVHIRMNCM-MRXNPFEDSA-N 303.431 2.949 0 50 DFAA CC(C)[C@@H](C(N)=O)n1ccnc1-c1cc2c(cc1Cl)OCO2 65417679 JYSKEBTXDWHUMY-ZDUSSCGKSA-N 321.764 2.615 0 50 DFAA O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 215322 SPKTYROISMAOCH-DLBZAZTESA-N 311.381 2.969 0 50 DFAA Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cnn(CC(F)F)c1)C2 173533578 NXKARJYJUKJTAR-AWEZNQCLSA-N 321.327 2.707 0 50 DFAA COc1nc2ccccc2cc1COC(=O)[C@H]1CO[C@@H](C)C1 851190351 XUJZTHFUAIHYRJ-SMDDNHRTSA-N 301.342 2.712 0 50 DFAA Cc1noc([C@@H](C)N(C)C(=O)c2ccc(N3CCCC3)cc2)n1 219881592 VVLTXENWEMHIPK-GFCCVEGCSA-N 314.389 2.811 0 50 DFAA COc1ccc2ccccc2c1CN1CC[C@H](n2cncn2)C1 372365858 JNNKQSHFVLNFTB-HNNXBMFYSA-N 308.385 2.887 0 50 DFAA CCc1ccnc(CNC(=O)N2CCCO[C@H](C(C)C)C2)c1 458736949 OQWDQLYBYYLFFG-INIZCTEOSA-N 305.422 2.601 0 50 DFAA CCCn1ccnc1-c1cccc(N2C(=O)[C@@H](C)N(C)C2=O)c1 373093153 RYMIBJKQYXHLPB-GFCCVEGCSA-N 312.373 2.747 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@@H]([C@@H](C)N)C1 237114727 KKXSZCSXNKXIOF-GOCZWWTBSA-N 316.445 2.770 0 50 DFAA C[C@@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)Cc1cccc(F)c1 128509007 HWJKETLJJJBXIY-TZMCWYRMSA-N 307.365 2.718 0 50 DFAA Cn1c(CN[C@@H]2CCc3ccccc3OC2)nnc1C1CCC1 374617123 AUKIAEFJADJBIQ-OAHLLOKOSA-N 312.417 2.566 0 50 DFAA Cn1cncc1CN1CCC[C@@H](COc2cccc(F)c2)C1 215360762 MAAXAAGPZRDQFT-CQSZACIVSA-N 303.381 2.850 0 50 DFAA NCC1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 237808498 FAXBFBLYTQDSOB-NEPJUHHUSA-N 310.800 2.780 0 50 DFAA Cc1cc(C(=O)N2[C@H]3CC[C@@H]2CNC3)c2ccc(C)c(C)c2n1 77520475 PWMDQPSXVDSRIT-GASCZTMLSA-N 309.413 2.736 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)n1C 285527929 NOCOOGRBOPEZLZ-DAYGRLMNSA-N 304.434 2.879 0 50 DFAA CCCc1nnc2sc([C@H]3CCC(=O)N(CC(C)C)C3)nn12 71752430 RYVIYCZVSSTXFD-NSHDSACASA-N 321.450 2.500 0 50 DFAA CCc1c(C)nn(CC(=O)N[C@@H](C)c2ccc(C)nc2)c1C 220328366 IXFSIPYPXGMQGL-LBPRGKRZSA-N 300.406 2.643 0 50 DFAA O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)[C@H]1C[C@H]1C1CC1 177539769 KXVUCZJKQINOPM-KBPBESRZSA-N 316.792 2.964 0 50 DFAA CCC1(O)CCN(C(=O)Nc2cc(F)c(F)cc2OC)CC1 290749164 YLIVMSAOBFGLTP-UHFFFAOYSA-N 314.332 2.742 0 50 DFAA CCN(CC)C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 42380157 NVNURBXCGZKLNL-UHFFFAOYSA-N 323.481 2.999 0 50 DFAA CC[C@@H](C(=O)NCCc1nc2c(s1)CCCC2)n1cccn1 91593734 HJPXQJHXDBKXTF-ZDUSSCGKSA-N 318.446 2.528 0 50 DFAA CC(C)[C@H]1COC(=O)N1Cc1cnn(-c2ccccc2F)c1 95525302 XQDWHVZFIOUWIX-OAHLLOKOSA-N 303.337 2.988 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cncn2C2CCCC2)C[C@H]1C1CC1 91461706 OMBVPZADVLHCQN-JKSUJKDBSA-N 303.406 2.541 0 50 DFAA Cc1c(C(=O)N2CCCC[C@@H]2CN)n(C)c2ccc(F)cc12 97272558 GTFMLRGHQWRQOO-CYBMUJFWSA-N 303.381 2.579 0 50 DFAA O=C1C[C@H](Cc2ccccc2)CN1Cc1nnc(-c2ccco2)o1 95520231 DDEJTQUHUMWMTB-AWEZNQCLSA-N 323.352 2.921 0 50 DFAA Cc1cc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 252482495 DHAAAHVKCNWYCI-UHFFFAOYSA-N 324.427 2.573 0 50 DFAA c1coc(-c2ccnc3nc([C@@H]4COc5ccccc5O4)nn23)c1 253413212 UDMRFHDTKBAEAR-HNNXBMFYSA-N 320.308 2.897 0 50 DFAA O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCC(c2ncco2)CC1 627943244 DFDIYSXARSQYCV-IXDOHACOSA-N 308.381 2.967 0 50 DFAA COc1ccc(C(=O)NCc2ccccn2)c(OC(F)F)c1 252501514 UGUCJAHSQPJKRG-UHFFFAOYSA-N 308.284 2.622 0 50 DFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1noc(C2CC2)n1 534590720 KABWGZBQEQJUTO-UHFFFAOYSA-N 323.356 2.576 0 50 DFAA Cc1noc([C@H]2CCCCN2C(=O)Nc2ccc(F)nc2)n1 286962717 DPTODTBQDHLEEU-LLVKDONJSA-N 305.313 2.671 0 50 DFAA CCOc1ccc(NC(=O)NCc2nc(CSC)no2)cc1 299781339 OJEGJMFFHQMVQT-UHFFFAOYSA-N 322.390 2.653 0 50 DFAA CC[C@H](NC(=O)c1sc(N)nc1C)c1nc(C)c(C)s1 299772256 UHYQRZOBJSJGAV-VIFPVBQESA-N 310.448 2.988 0 50 DFAA CCOc1ccc(CN(C)C[C@@H]2CCOC2)cc1CN(C)C 670447555 QDDHPFLPOYRGMG-INIZCTEOSA-N 306.450 2.615 0 50 DFAA CCn1nccc1[C@H](C)Nc1ccc(C)c(N2CCNC2=O)c1 1875285214 GXSMVNNAGUTVAZ-ZDUSSCGKSA-N 313.405 2.914 0 50 DFAA COc1cccc(OCc2nc([C@@H](N)C3CCCCC3)n[nH]2)c1 952973908 SHDAAFZHQSEXHL-INIZCTEOSA-N 316.405 2.972 0 50 DFAA Cc1ccc2c(C)cc(NC[C@H]3CN(C)CCN3C)nc2c1C 1506430729 YFTNAKUSDJKPJR-INIZCTEOSA-N 312.461 2.818 0 50 DFAA Cn1nccc1[C@@H]1C[C@H]1CNC(=O)c1ncoc1-c1ccccc1 1775998698 HXJXFXMWICHXIF-UONOGXRCSA-N 322.368 2.609 0 50 DFAA O=C(c1cccnc1C(F)(F)F)N1CCC(c2ncc[nH]2)CC1 271008571 ZMMQJMXTFVWYBF-UHFFFAOYSA-N 324.306 2.843 0 50 DFAA Cc1cscc1C(=O)N1CCOC[C@H]1c1nnc(C(C)C)o1 275271651 FAGHJXWMDVEEMJ-LBPRGKRZSA-N 321.402 2.777 0 50 DFAA c1ccc2c(c1)ncn2C[C@@H]1CCCN1c1nnc(C2CC2)o1 278417642 OIHCUWKCGOTQFY-ZDUSSCGKSA-N 309.373 2.966 0 50 DFAA COc1cccc2c1N(CC(=O)NCC(F)(F)F)CC[C@H]2C 170597054 WPVPYQMNSLCYRL-SNVBAGLBSA-N 316.323 2.687 0 50 DFAA C[C@H](CN(C)[C@@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 170603035 UVYKQYGTRYBVOX-NEPJUHHUSA-N 303.855 2.808 0 50 DFAA O=C(Nc1ccc(O)cc1)Nc1cnn(Cc2ccccn2)c1 170604268 GJIXWFNWLXMGRD-UHFFFAOYSA-N 309.329 2.676 0 50 DFAA CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(F)c1 170618115 ZBWFZKIMRNORLU-ZDUSSCGKSA-N 308.334 2.529 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@]2(Cc3ccccc3NC2=O)C1 91303115 AUNJZAUQELRVHO-KRWDZBQOSA-N 302.374 2.808 0 50 DFAA in-vitro C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2Cc1c(Cl)cccc1C(=O)O 634697220 CXJCRDMWIUMSGN-UNNXFLIFSA-N 309.793 2.772 0 50 DFAA CNC(=O)C1(NC(=O)c2ccc3sccc3c2)CCCC1 760490439 AYDOABCWQNJTQF-UHFFFAOYSA-N 302.399 2.690 0 50 DFAA CNC(=O)c1ccc(NC(=O)c2cccc3c2CCC3=O)c(C)c1 1506422365 SCUGXKDAKADGBA-UHFFFAOYSA-N 322.364 2.736 0 50 DFAA Cc1cc(CC(=O)Nc2c(C)c(-c3ccccc3)nn2C)on1 1506407133 MPYYRSGQIDMQIW-UHFFFAOYSA-N 310.357 2.873 0 50 DFAA Oc1cccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)c1 1616077834 UQLYMWAXQKKGKN-ICSRJNTNSA-N 324.424 2.650 0 50 DFAA CCCCc1nc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c(Cl)[nH]1 1772704549 NWABBKQCRCULCW-RYUDHWBXSA-N 324.856 2.601 0 50 DFAA CSCc1nnc2sc([C@H]3COc4ccccc4O3)nn12 1776111021 MZLXXQTZTSQLFU-SNVBAGLBSA-N 320.399 2.561 0 50 DFAA COCCOCn1cc(-c2csc(-c3ccccc3)n2)nn1 1857528056 PXORRGZAZTZSGY-UHFFFAOYSA-N 316.386 2.689 0 50 DFAA O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCC[C@@H](CO)C1 225472601 ZIDRCYQDVPDJLM-KZNAEPCWSA-N 316.445 2.812 0 50 DFAA CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(-c2cc[nH]n2)s1 331659253 XWPRIFVSVXJPDM-CYBMUJFWSA-N 305.403 2.514 0 50 DFAA CCCc1csc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)n1 127176890 JZFWHIPQRSRQQD-LLVKDONJSA-N 309.435 2.683 0 50 DFAA C[C@@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)[C@@H](c2ccco2)C1 237530763 GWGVTLOVGACITE-BXUZGUMPSA-N 314.341 2.986 0 50 DFAA CC(C)n1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)nn1 339620648 CSJJQKKLNDDQSP-UHFFFAOYSA-N 316.380 2.850 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 133418302 AKXHLHGXLZYZRV-CYBMUJFWSA-N 303.793 2.712 0 50 DFAA Cc1cc(Br)cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1 135347033 RGMJWAHLJBMDKZ-ZWNOBZJWSA-N 312.207 2.600 0 50 DFAA CCCn1nc(C)c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1C 162243500 YMKIDOWIINESFH-UHFFFAOYSA-N 314.345 2.597 0 50 DFAA Cc1cc([C@@H]2CCCN2CCOc2cccc(C(=O)O)c2)no1 846235423 FLGRCLQKHRWOEL-INIZCTEOSA-N 316.357 2.897 0 50 DFAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC[C@@H](n2ccnn2)C1 823241418 YSMNVAUMXVPALR-LLVKDONJSA-N 324.306 2.832 0 50 DFAA CC(=O)Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 118762 ICKGROSRMIWNJC-UHFFFAOYSA-N 302.170 2.924 0 50 DFAA C[C@@]12CC[C@H](O)[C@@H](C1)N(C(=O)NC[C@H]1CCC[C@H]1C1CC1)C2 2325794640 LFDDBAZGLWEVPR-RIUYPTKQSA-N 306.450 2.758 0 50 DFAA Cc1nn(C)c2cc(NC(=O)c3cccc4c3CNCC4)ccc12 2325795724 VHBMZWFRVOSAOW-UHFFFAOYSA-N 320.396 2.780 0 50 DFAA Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1 38518 OZOITVHSOCKZMF-UHFFFAOYSA-N 322.455 2.801 0 50 DFAA O=C(O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 616223 MQSIMYDXHDUFTJ-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA CC(C)CC(=O)NC(=S)Nc1ccc(Br)cn1 1000664 ZJLVGAAZRQTASB-UHFFFAOYSA-N 316.224 2.703 0 50 DFAA CSc1ncc(Cl)c(C(=O)Nc2ccc3c(c2)OCO3)n1 6729225 KTKJTSFLWMNXDN-UHFFFAOYSA-N 323.761 2.833 0 50 DFAA CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)cc1 6744961 OPUJFTWEUJVJRI-LBPRGKRZSA-N 312.369 2.754 0 50 DFAA CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7398513 ULJAZWJBVOPCHG-CYBMUJFWSA-N 316.401 2.815 0 50 DFAA CCN1CCC(NC(=O)COc2ccc(Cl)cc2C)CC1 7964210 YXBMUOYCNPGORC-UHFFFAOYSA-N 310.825 2.628 0 50 DFAA Cc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 52537756 TUYQLDUZTANIGB-UHFFFAOYSA-N 309.413 2.756 0 50 DFAA Cc1c(Cl)cccc1NCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100159535 MPUTXWCAYXDCMU-LWWSYDQCSA-N 316.788 2.825 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)CC(=O)Nc2ccccc2C)C1 55042093 UYTVPZRZQDUYEF-OAHLLOKOSA-N 318.417 2.599 0 50 DFAA O=C(CCc1ccoc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 348239040 GHBACFIVHYTOJI-XJKSGUPXSA-N 321.323 2.825 0 50 DFAA CCOc1ccccc1-n1c(O)nnc1Cc1ccc(O)cc1 67851777 WMJHEKFODPQCIX-UHFFFAOYSA-N 311.341 2.668 0 50 DFAA CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccn1 22022966 PVDHSXFZBXODNX-UHFFFAOYSA-N 317.352 2.529 0 50 DFAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1CC1=CCCOC1 377911605 LVHWATWUXHDCOS-CYBMUJFWSA-N 302.422 2.659 0 50 DFAA O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(F)ccc12 359293421 FGYYRDZCUNXXJS-UWWQBHOKSA-N 316.376 2.740 0 50 DFAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1nccs1 374291 RZIURDFTOZXNMZ-UHFFFAOYSA-N 316.308 2.875 0 50 DFAA COCc1ncn(Cc2nc(-c3sccc3C)oc2C)n1 67788295 KPWRSZRCGVWHKG-UHFFFAOYSA-N 304.375 2.806 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccc(Cl)cc23)CCO1 283979858 AOLPWXWGYNYNMJ-JTQLQIEISA-N 307.781 2.904 0 50 DFAA CC[C@H](C(=O)Nc1ccc(C2CC2)nn1)c1c(C)noc1C 329336417 PFTJWTFBTLJORT-LBPRGKRZSA-N 300.362 3.091 0 50 DFAA COc1ccc(F)c(F)c1CN1CCC[C@@H](N2CCCC2=O)C1 215121359 GAYDOIDWEGVUGE-GFCCVEGCSA-N 324.371 2.560 0 50 DFAA CO[C@H](Cn1cnc2c(F)cccc2c1=O)c1cccs1 32592797 POYRLWAXUZAIAZ-GFCCVEGCSA-N 304.346 2.985 0 50 DFAA Cc1nc(CN(CCO)CC23CC4CC(CC(C4)C2)C3)co1 215439707 MHPCPALOGLOCCP-UHFFFAOYSA-N 304.434 2.994 0 50 DFAA COC(=O)c1coc(CN2CCC[C@H]2c2cccc(OC)c2)n1 72156931 CJRCESRPIVQBCP-HNNXBMFYSA-N 316.357 2.807 0 50 DFAA O=Cc1ccc(OCC(=O)N2CC=C(c3ccccc3)C2)cc1 378604777 HRUNJUGYSJBSNF-UHFFFAOYSA-N 307.349 2.804 0 50 DFAA Cc1coc(C)c1C(=O)N1CCCC[C@@H]1CN1CCCC1=O 375042497 LSNVLCGTDWQSCV-CQSZACIVSA-N 304.390 2.514 0 50 DFAA C[C@H]1C[C@H](C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCO1 262782311 ZQNBOZPMSMLBDY-VHSXEESVSA-N 303.314 2.885 0 50 DFAA COc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 36356918 ONSIRHXMFIIHDL-NSHDSACASA-N 305.359 2.651 0 50 DFAA COc1ccc(F)c(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 289084096 ODQMIRGVKZCVLP-STQMWFEESA-N 321.396 2.925 0 50 DFAA COc1ccccc1OC1CN(C[C@@H]2CCOC(C)(C)C2)C1 72148262 VSMWYCHQBANEDG-CQSZACIVSA-N 305.418 2.963 0 50 DFAA Cc1cccc(N2CCC(NC(=O)Cc3cccnc3)CC2)c1 223869365 PAIBYGAZDFSRTB-UHFFFAOYSA-N 309.413 2.718 0 50 DFAA Cc1nc(NCCc2ccc(F)cc2)cc(C2CC(N)C2)n1 223365810 ACKHBBOLFYNDQP-UHFFFAOYSA-N 300.381 2.783 0 50 DFAA CCC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 497278804 SJMXEALXDTVMRR-KGLIPLIRSA-N 310.438 2.892 0 50 DFAA O=C(O)c1ccc(CN2CC[C@@H](CN3CCCCC3)C2)cc1 263572620 LDRHXRRNFGJZLE-INIZCTEOSA-N 302.418 2.693 0 50 DFAA Cc1nn(C)c2nc(N(C)CCc3noc(C(C)C)n3)sc12 95509740 JNYLBENSLSCWCN-UHFFFAOYSA-N 320.422 2.524 0 50 DFAA Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCCC1 230536980 GSEWGRSKHHWQAX-UHFFFAOYSA-N 318.236 2.850 0 50 DFAA COCCCCCC(=O)N1CCc2ccc(OC)cc2CC1 95370174 WYJYCMUTYKQCFO-UHFFFAOYSA-N 305.418 2.829 0 50 DFAA Cc1[nH]nc(CN2CCC(OCc3cccnc3)CC2)c1Cl 97604170 CIHNPMSJFUGFTF-UHFFFAOYSA-N 320.824 2.948 0 50 DFAA CN(Cc1cc(=O)c2cccc(Cl)c2[nH]1)Cc1nccn1C 91817572 SDWMPICRUHSHJF-UHFFFAOYSA-N 316.792 2.547 0 50 DFAA CCOc1ccc(CN(CCOC)C(=O)[C@@H]2CC23CC3)cc1 426401539 CDSGBYJCCRTFGP-INIZCTEOSA-N 303.402 2.860 0 50 DFAA CC1(C)CNC(=O)c2nc([C@H]3CCN(c4ccccc4)C3)[nH]c2C1 95524515 DPTANQWCMAKNPB-ZDUSSCGKSA-N 324.428 2.716 0 50 DFAA Cc1ccnc(SCC(=O)N2CC[C@@H]2c2ccc(F)cc2)n1 243893568 ASGOAPMJYDKOQX-CQSZACIVSA-N 317.389 2.990 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC(=O)[C@@H]2O 257346086 QHSZSKZLCCRGLJ-GQJRUFTLSA-N 306.446 2.930 0 50 DFAA CSCCC(=O)NCCN1CC[C@@H](c2ccccc2C)C1 252509561 YQMFKGUZJAHZLY-OAHLLOKOSA-N 306.475 2.654 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(C)n2)cc1 185086098 NGKNXKQBMJJNQD-OAHLLOKOSA-N 318.442 2.650 0 50 DFAA O=C(NCCCOC1CCCC1)C1(N2CCCC2)CCCC1 534666212 LJTITLRFZMNEQB-UHFFFAOYSA-N 308.466 2.861 0 50 DFAA Cc1c(C(=O)NCc2ccc3c(c2)CCO3)nc2ccccn12 1149278125 YXLSVSTVQPLUQG-UHFFFAOYSA-N 307.353 2.508 0 50 DFAA CC(C)(O)Cn1nc(-c2ccccc2)nc1-c1ccc(CO)cc1 828823026 YMPFIXLAGWBSGB-UHFFFAOYSA-N 323.396 2.875 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(Cc2cncs2)CC1 863947894 NMXJVAVRXASVIE-KKUMJFAQSA-N 319.474 2.614 0 50 DFAA CC(=O)N1CCC[C@@H]1c1noc(-c2cnc3cc(O)ccc3c2)n1 1875321013 QVLNDQVBCVGNAW-OAHLLOKOSA-N 324.340 2.674 0 50 DFAA CC(C)N(C(=O)C[C@H](C)N1CCCCC1=O)c1cccnc1 952845171 FCEUVYAFLDKVGQ-AWEZNQCLSA-N 303.406 2.614 0 50 DFAA Cc1ccc(CN(C)C(=O)c2cn(C)nc2[C@H]2CCOC2)s1 275443729 GDFCQXBUMLQJGP-LBPRGKRZSA-N 319.430 2.566 0 50 DFAA CC(C)COC(=O)N1CCC(Nc2ccccc2CO)CC1 170592182 UXIYAHDLEOWORG-UHFFFAOYSA-N 306.406 2.848 0 50 DFAA CCc1ccccc1CN1CCN([C@H](C)c2nc(C)no2)CC1 188958819 HMEUXCYNGHMNMT-CQSZACIVSA-N 314.433 2.819 0 50 DFAA O=C(O)CN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1F 190741030 XHHIJUFVPWUKDL-UHFFFAOYSA-N 319.307 2.621 0 50 DFAA CS[C@H](CO)[C@H](C)NCc1sccc1Br 195564539 CQAMGOOGYZYQDR-OIBJUYFYSA-N 310.282 2.713 0 50 DFAA Clc1ccc(Cc2noc([C@@H]3CCCc4nn[nH]c43)n2)cc1 663155459 JJEJBFBVOZULOD-LLVKDONJSA-N 315.764 2.900 0 50 DFAA Cc1nc(C(=O)Nc2cccc(-n3ccnc3S)c2)co1 797396105 CEPZLLJFLBLCGW-UHFFFAOYSA-N 300.343 2.710 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCC2(Cn3nc(C)cc3C)CC2)n1 1506399213 LDMMCIFEHBOXAU-HNNXBMFYSA-N 315.465 2.772 0 50 DFAA Cc1cc(C(=O)O)nc(NCCOc2cccc3cccnc23)n1 1506423179 GAFHERDOBWPZMO-UHFFFAOYSA-N 324.340 2.522 0 50 DFAA CC(C)C1=NO[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)C1 1529159994 VLLDBALJYSHCQS-MRXNPFEDSA-N 312.373 2.671 0 50 DFAA CCCc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704300712 YRQCQIOUNBOSRL-CVEARBPZSA-N 312.417 2.802 0 50 DFAA Cc1cnccc1-c1ccc(C(=O)N2CC(C)(CO)C2)s1 1615538058 OGEBKULLBTYLFE-UHFFFAOYSA-N 302.399 2.573 0 50 DFAA CCN1[C@@H](c2ccc(Br)cc2)CCS1(=O)=O 1615587696 JNKYMXDXLKUKKE-LLVKDONJSA-N 304.209 2.546 0 50 DFAA C[C@@]12C[C@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2 1772808294 LSRWCPCKAOQUBJ-GTNSWQLSSA-N 315.348 2.677 0 50 DFAA C[C@H]1CCc2sc(C(=O)NCCCn3ccnc3)cc2C1 5267525 XHIAMNYHSNJXDT-LBPRGKRZSA-N 303.431 2.890 0 50 DFAA CCn1ccnc1CN1CCO[C@H](Cc2ccccc2Cl)C1 11935358 ISOFWWNRIDMZOC-OAHLLOKOSA-N 319.836 3.000 0 50 DFAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1ccccn1 12380697 KPLHODJKBQEOBD-JTQLQIEISA-N 308.740 2.958 0 50 DFAA COC[C@H](C)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12713623 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O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ccsc1 252510646 BAMJMBDSMKZZRW-MCIONIFRSA-N 307.415 2.925 0 50 DFAA CC(C)N1CCCC[C@@H]1CN1CCC(OC[C@H]2CCCO2)CC1 252572657 ZRZNFSWPQXPWLU-IEBWSBKVSA-N 324.509 2.909 0 50 DFAA Cc1noc(CCC(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)n1 332098707 FSDILGXOAJBMBP-QWRGUYRKSA-N 317.364 2.984 0 50 DFAA C=CC(=O)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 328598579 NKPNVUHQIVLSDB-GFCCVEGCSA-N 321.726 2.820 0 50 DFAA c1cc(N2CCCC2)ncc1-c1cnn(CC2CCNCC2)c1 863692012 PFOIHTWFPRYQFY-UHFFFAOYSA-N 311.433 2.545 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2occc2C)c1 282486089 MESCMPKBIVBBQB-HIFRSBDPSA-N 301.342 2.545 0 50 DFAA COc1ccc(CN2CCC[C@@H]2CC(=O)c2cccs2)nn1 283096839 LMVOMYGAXGVDTD-CYBMUJFWSA-N 317.414 2.784 0 50 DFAA Cc1ccccc1OC1CCN(C(=O)C2CCOCC2)CC1 77523165 HXDDEIXPQGOBEB-UHFFFAOYSA-N 303.402 2.791 0 50 DFAA COc1ccccc1OC1CN(C[C@H]2CCOC(C)(C)C2)C1 72148263 VSMWYCHQBANEDG-AWEZNQCLSA-N 305.418 2.963 0 50 DFAA COc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)N)ccc1OC(C)C 237231055 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322.836 2.580 0 50 DFAA O=C1Nc2ccccc2CC[C@H]1N[C@H]1CCCC12CCOCC2 298547934 NVXGIRXQZULGLV-SJORKVTESA-N 314.429 2.879 0 50 DFAA CCc1ccc(NC(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1F 626457655 WVPURYFOGJCLGB-HNNXBMFYSA-N 319.380 2.663 0 50 DFAA CCNC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 253529916 IJYCRXOCPUMKBW-NXOAAHMSSA-N 303.450 2.611 0 50 DFAA CO[C@H](C(=O)NCCCc1nc(C)cs1)c1ccccc1 299796818 OOGCHTKWFHOFIX-HNNXBMFYSA-N 304.415 2.888 0 50 DFAA Cc1nccn1-c1ccc(NC(=O)N2CCCC[C@H]2CO)cc1 299799299 RBPDGOYTBPOELB-INIZCTEOSA-N 314.389 2.559 0 50 DFAA O=C(NCCOc1ccccc1F)c1ccc2c(c1)CCCO2 670468304 YMFRRNMGZZLBDR-UHFFFAOYSA-N 315.344 2.960 0 50 DFAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3cccnc3)C2)n1 869055689 WBKUKQVZMAMDDC-QGZVFWFLSA-N 312.417 2.691 0 50 DFAA O=C1N[C@H]2C[C@@]([C@@H]3CC34CC4)(N1)Oc1nc3ccccc3cc12 1875294300 QXAUOXKRYLRNDT-PMUMKWKESA-N 307.353 2.868 0 50 DFAA Oc1ncccc1CNC1(c2ccc(F)cc2F)CCOCC1 1875285011 ZREVLVOPGLAYLS-UHFFFAOYSA-N 320.339 2.861 0 50 DFAA C[C@H](C1CCOCC1)N(C=O)Cc1cnn(-c2ccccc2)c1 1875325414 NDGTZDASOINKFH-OAHLLOKOSA-N 313.401 2.646 0 50 DFAA C=CC(=O)N[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC12CCC2 1875368840 RVGFYLMKDRUWIM-OCCSQVGLSA-N 308.422 2.762 0 50 DFAA C[C@@H](CNC(=O)/C=C/c1nc2ccccc2s1)N1CCCC1 952984938 YVUOHRRUXWWODV-XEHSLEBBSA-N 315.442 2.910 0 50 DFAA Cc1cc([C@@H](C)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)no1 886094966 IXNXFJNMQKFKBW-ZLENFMNRSA-N 318.421 2.762 0 50 DFAA COc1cccc([C@@H](C)C(=O)N2Cc3c[nH]nc3C(C)(C)C2)c1 1775987706 ZBWZNPISXSOYIA-GFCCVEGCSA-N 313.401 2.842 0 50 DFAA CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC1)c1ccccc1 62063821 ZVYGJRFJPXLXEA-AWEZNQCLSA-N 304.390 2.875 0 50 DFAA in-vitro O[C@H](CCc1ccccc1)CNCc1ccc2c(c1)OCCO2 273039213 AEGNAQUZOZURMW-QGZVFWFLSA-N 313.397 2.541 0 50 DFAA CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2)[C@@]12CCCO2 273656022 JJOFAOOMNPEFEV-JZXOWHBKSA-N 318.417 2.555 0 50 DFAA Cc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)nc(O)n1 170688761 OEBDWDYBWPIWQV-UHFFFAOYSA-N 311.385 2.685 0 50 DFAA COCc1cc(F)ccc1NC(=O)C[C@@H](C)N1CCCCC1=O 193851258 BUEPHBMZZPUKIG-GFCCVEGCSA-N 322.380 2.702 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 237657813 LCXCDFVDIPDEOW-SFHVURJKSA-N 317.385 2.945 0 50 DFAA CN(C)c1cc(CNC(=O)[C@@H]2CCc3ccccc3C2)ccn1 1615050838 DAFONWVGAGGDKX-QGZVFWFLSA-N 309.413 2.569 0 50 DFAA CN1C(=O)N[C@H]2C[C@@]1(C)Oc1c(F)cc(Br)cc12 1615613389 VQNSAXVIEAETGQ-JOYOIKCWSA-N 315.142 2.783 0 50 DFAA Cc1ccc(-c2ccc(CN3CC[C@H](O)[C@H](C(=O)O)C3)o2)cc1 1615734817 HUDLPMSOPQBCMW-CVEARBPZSA-N 315.369 2.522 0 50 DFAA Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3cccc(O)c3)C1=N2 1775953768 OJXUBBKNTWQDFQ-GOSISDBHSA-N 308.337 2.568 0 50 DFAA CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)Nc3ccccc32)C1 12381358 VEWRWSHDMJYSEX-BVRBVLIYSA-N 301.386 2.858 0 50 DFAA Nc1cc(=O)[nH]c(SCCCOc2ccccc2Cl)n1 16527177 JOZWOGVWHLIVNE-UHFFFAOYSA-N 311.794 2.567 0 50 DFAA CC[C@@H]1CCCCN1C(=O)CCNC(=O)c1cccc(OC)c1 16647583 ARIADJKTMYBBMZ-OAHLLOKOSA-N 318.417 2.606 0 50 DFAA Cn1ccnc1-c1cccc(-c2ccn(CCn3cccn3)n2)c1 19144210 RIUYZTWSCUQJKZ-UHFFFAOYSA-N 318.384 2.847 0 50 DFAA CC[C@H](C)Cc1nc(-c2cnc(C)cc2C)n(CCCO)n1 1857678761 AIEJOECWZYTRKS-LBPRGKRZSA-N 302.422 2.928 0 50 DFAA Cc1cnc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)[nH]1 1857728626 JWRBZAMLEQBYOB-UHFFFAOYSA-N 321.428 2.719 0 50 DFAA O=C(O)CCCN1CCCN(Cc2ccc(Cl)cc2)CC1 116343827 FYTDZLBKBFYMII-UHFFFAOYSA-N 310.825 2.713 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2Cc3cccc(OC)c3C2)c1 634693243 SWKFWCOBYREQQM-KRWDZBQOSA-N 313.353 2.845 0 50 DFAA COc1cccc([C@H](C(=O)O)N2CCC[C@H](OC3CCC3)C2)c1 634692469 BOXQYLWCVVOBLD-DLBZAZTESA-N 319.401 2.854 0 50 DFAA Cc1cnc(-c2noc([C@H]3CC(=O)N(C(C)(C)C)C3)n2)s1 333071144 GOBWMSVESWZATA-VIFPVBQESA-N 306.391 2.616 0 50 DFAA COc1ncccc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F 248742895 RNPHVNOFGLCSDY-CJNGLKHVSA-N 320.339 2.676 0 50 DFAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCCO1)c1cccc(Cl)c1 776672337 CWBOWFQBSTXXDT-OLZOCXBDSA-N 311.765 2.541 0 50 DFAA COCC1(C(=O)NCc2cccc(-c3cnn(C)c3)c2)CCC1 375037191 LHLCMDXNAQXIIV-UHFFFAOYSA-N 313.401 2.520 0 50 DFAA C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(C(=O)c1cc[nH]c1)C2 585128798 NUAJSWKZTMJHBO-WOJBJXKFSA-N 323.440 2.999 0 50 DFAA CC(C)(NC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1 263711522 APZMRQZFNPSAGR-UHFFFAOYSA-N 310.401 2.742 0 50 DFAA CN(Cc1ccc(Cl)s1)C(=O)C1=C2CCN=C2NC=C1 912067143 BRXAXXNFGFJKKG-UHFFFAOYSA-N 307.806 2.576 0 50 DFAA O=C(c1cc(C(F)F)ncn1)N1CCC(c2nccs2)CC1 931589330 BEKHDFGLVSNNMK-UHFFFAOYSA-N 324.356 2.891 0 50 DFAA O=C1OC(c2ccco2)=N/C1=C\NCc1ccc(Cl)cc1 20032626 PTXVFEUOQFMYKO-XFXZXTDPSA-N 302.717 2.868 0 50 DFAA C[C@@H]1CNC(=O)C[C@H](N[C@@H](CCc2ccccc2)C(F)F)C1 2325783656 QYOHSIQMAVDJDT-CFVMTHIKSA-N 310.388 2.757 0 50 DFAA Oc1nc2c(cc1-c1noc(-c3ccc(F)cc3)n1)COCC2 2325823911 IIPOYTVTTBMQBF-UHFFFAOYSA-N 313.288 2.716 0 50 DFAA CN(C)c1cc(NC(=O)c2cncc(C(F)(F)F)c2)ccn1 343699222 YEWSMBHJUIZLGG-UHFFFAOYSA-N 310.279 2.814 0 50 DFAA C[n+]1cn(C[C@@H](O)COc2ccccc2Cl)c2ccccc21 307274 XXYIDSZJNXJVAP-CYBMUJFWSA-N 317.796 2.559 0 50 DFAA CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 618568 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OYQKSIWPTDAAGU-UHFFFAOYSA-N 301.327 2.816 0 50 DFAA CCCN(CCC)S(=O)(=O)c1cc(OC)c(C)cc1OC 9061918 GEEOVPPBFYIIGZ-UHFFFAOYSA-N 315.435 2.823 0 50 DFAA Cc1ccsc1CCNC(=O)CCC(=O)NC1CCCC1 55042003 NRAXUAHZNGMVPB-UHFFFAOYSA-N 308.447 2.554 0 50 DFAA CCN(Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCN(C)C1 67920791 ULHOHTIILQWIGK-CQSZACIVSA-N 316.424 2.989 0 50 DFAA CCN(CC1CCOCC1)c1cc([C@@H]2CCCNC2)nc(C)n1 67884257 YWUUVYJVUYHYPM-MRXNPFEDSA-N 318.465 2.505 0 50 DFAA O=C1C[C@@H](COCc2ccccc2)c2c(nc3ccccn23)CN1 65407742 NNYVMKCWIXAAIC-HNNXBMFYSA-N 321.380 2.655 0 50 DFAA Cc1nc(C)c(CN2CCC(O)(c3ccccn3)CC2)s1 20449893 FIFMPSOIFVXTOH-UHFFFAOYSA-N 303.431 2.639 0 50 DFAA Cc1cnc2c(C(=O)N3CCCC[C@@H]3c3cccnc3)cnn2c1 65494711 OUVSQZGZVBSJDM-MRXNPFEDSA-N 321.384 2.800 0 50 DFAA CCc1noc(C)c1CN1CCOC[C@@H]1CC(=O)c1ccco1 120935736 OHBMXEZMTBNTKW-ZDUSSCGKSA-N 318.373 2.612 0 50 DFAA C[C@H](Cc1ccccn1)N(C)CCn1c(=O)oc2ccccc21 67588533 JXRUVAXLGXMWJS-CQSZACIVSA-N 311.385 2.553 0 50 DFAA O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C(F)(F)Cl 152992816 WCFWMOLCFRSDBX-MRVPVSSYSA-N 324.705 2.739 0 50 DFAA CC[C@H]1COCCN1C(=O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 328604796 LAZFAUOAFTZPOU-JCKWVBRZSA-N 319.376 2.503 0 50 DFAA COc1c(F)cccc1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 67921469 AARIVHIACHFMPZ-NSHDSACASA-N 303.337 2.577 0 50 DFAA Cn1nccc1C1=CCN(C(=O)c2cccnc2C2CC2)CC1 329145526 AEZAYHSGFWOFER-UHFFFAOYSA-N 308.385 2.622 0 50 DFAA C[C@@H]1CCc2onc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1 2803594 OUKQJHFKHWLMDJ-SNVBAGLBSA-N 314.341 2.823 0 50 DFAA COC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 3041247 CGRFOKGBHATUHG-UHFFFAOYSA-N 312.152 2.990 0 50 DFAA O=C1OCCN1c1ccc(OCc2nc(CC3CC3)no2)cc1 72150304 LMERMGJNAKGUAE-UHFFFAOYSA-N 315.329 2.558 0 50 DFAA CCOc1cccc(NC(=O)Cn2cnc(-c3ccccc3)n2)c1 124082069 YUOQENQBQKJDMK-UHFFFAOYSA-N 322.368 2.983 0 50 DFAA CSc1nc(C(=O)NCc2ccc3nc(C)[nH]c3c2)cs1 215785903 YRDRKYPQCWVZOM-UHFFFAOYSA-N 318.427 2.980 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)NCCc2scnc2C)c1C 216199773 AJNBYIFRLPEFFB-UHFFFAOYSA-N 305.403 2.572 0 50 DFAA CC(=O)N=c1cc[nH]cc1NC(=O)[C@@H](C)c1cccc(Cl)c1 362819408 YRFAWMIACMUIGK-JTQLQIEISA-N 317.776 2.858 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)Nc2cnn(CC(C)C)c2)no1 363122174 LINORGNZRFOKJY-ZDUSSCGKSA-N 318.381 2.600 0 50 DFAA Cc1cc(C)n(C2CN(C[C@]3(c4ccccc4)CCOC3)C2)n1 216083933 ZUCKWGXNABWJBV-LJQANCHMSA-N 311.429 2.715 0 50 DFAA Cn1cc(C[C@@H]2CCN(C(=O)c3cncc4ccccc34)C2)cn1 369960696 ORFNVEWITPUDRF-AWEZNQCLSA-N 320.396 2.673 0 50 DFAA O=C(O)[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1 262279684 KOYOTUZXSPJIIC-BNQQVVLKSA-N 305.761 2.794 0 50 DFAA Cc1ccc(Cl)c(NC(=O)CSc2nnc(N)s2)c1 71257962 YFHMFENOSNUYLW-UHFFFAOYSA-N 314.823 2.813 0 50 DFAA Cc1nc2c(c(N(C)Cc3cccc4cnccc34)n1)CCNC2 71747666 MQBHUPDAJTYXBJ-UHFFFAOYSA-N 319.412 2.615 0 50 DFAA O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCC[C@H]1c1ccc(F)cc1 241173025 KFJILAOKCZOLPO-KKUMJFAQSA-N 302.349 2.888 0 50 DFAA Cc1cc(C)c(CN2CC(O)C2)cc1CN1CCC(C)CC1 215434012 ZOPAKCCZFWEYQR-UHFFFAOYSA-N 302.462 2.712 0 50 DFAA CC(C)c1cc(N2CCO[C@@H](C(F)(F)F)C2)n2nccc2n1 72120923 AQHUMSQMRLFRHU-LLVKDONJSA-N 314.311 2.620 0 50 DFAA Cc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)O)ccc1F 41091249 ZSOBUNGFPFARIQ-UHFFFAOYSA-N 323.345 2.657 0 50 DFAA CCc1cc(NCCc2csc(N)n2)n2nc(C)c(C)c2n1 72462718 FQQQTEKZJWKFQO-UHFFFAOYSA-N 316.434 2.602 0 50 DFAA Cc1nccn1[C@H]1CCCN(c2cc(O)nc3cccnc23)C1 853287663 PILMITJKBQJZNY-ZDUSSCGKSA-N 309.373 2.682 0 50 DFAA COCc1cnc(NC(=O)c2cccnc2C(F)(F)F)s1 286994211 ORLBRPLERCZCNR-UHFFFAOYSA-N 317.292 2.956 0 50 DFAA CC[C@H](C(=O)O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 263563445 DKALRVXGVMWPRH-CHWSQXEVSA-N 317.307 2.942 0 50 DFAA CCc1cc(N2CC[C@H](CO)C[C@@H]2C)nc(-c2ccncc2)n1 289137749 RYOOAHGMISOIBB-KBPBESRZSA-N 312.417 2.698 0 50 DFAA COc1cc(Cl)c(Cl)cc1C(=O)N[C@H]1CCC[C@@H]1O 178592947 VVZGVSYLJSJALE-QWRGUYRKSA-N 304.173 2.645 0 50 DFAA COc1ccc(C(=O)N2CCCC[C@@H]2CCc2nccn2C)o1 82119991 WGFYEYDQNMQJEI-CYBMUJFWSA-N 317.389 2.649 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@]3(CCCO3)CC2)s1 97301366 LONKSQONLPETIZ-OAHLLOKOSA-N 309.387 2.622 0 50 DFAA Cc1nc(NCCSc2ccccn2)c2c(C)noc2n1 95380545 YTUMSLDOLXOWPS-UHFFFAOYSA-N 301.375 2.834 0 50 DFAA CC(=O)[C@@H]1[C@@H](c2ccccc2F)c2c(n[nH]c2C)C[C@]1(C)O 239439973 ZZIPKMGAHIMYOH-BBWFWOEESA-N 302.349 2.501 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)NCCn1cc(Cl)cn1 91691616 GDUGFTROWUYJBU-ZDUSSCGKSA-N 303.793 2.773 0 50 DFAA COc1ccccc1[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C(=O)O 91745576 OEHASSNHFISYNE-LSDHHAIUSA-N 317.385 2.512 0 50 DFAA COCCN(Cc1ccccc1F)C(=O)c1cnn(C(C)C)c1 97775471 QABAMTGDGLEPFH-UHFFFAOYSA-N 319.380 2.892 0 50 DFAA C[C@H]1CN(C(=O)c2ccco2)C(C)(C)CN1C(=O)c1ccco1 297690946 HGSCZWHKRCEPSD-LBPRGKRZSA-N 316.357 2.638 0 50 DFAA CO[C@H](CN1CCc2c(F)ccc(C(=O)O)c2C1)C1CCC1 629366977 BUBVHBIEVSOODV-MRXNPFEDSA-N 307.365 2.697 0 50 DFAA FC(F)(F)c1cccnc1[C@H](c1ccccc1)c1nnn[nH]1 263639761 HZNRLTVANHGBEN-NSHDSACASA-N 305.263 2.794 0 50 DFAA Cc1ccccc1[C@@H]1CC(=O)c2c(nc3c(cnn3C)c2N)C1 618256972 PLVSQFHSLUOAPS-NSHDSACASA-N 306.369 2.772 0 50 DFAA 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C=CC(=O)N(C[C@H]1COc2ccccc21)C[C@H]1CCSC1 1875382026 NXLRFVRTPHFDOO-KGLIPLIRSA-N 303.427 2.930 0 50 DFAA Cc1c(Nc2ncnc3ccc(C(C)C)cc23)cnn1CCO 1875267422 ABXFWNOGIWMYCK-UHFFFAOYSA-N 311.389 2.994 0 50 DFAA CCc1cnc(NS(=O)(=O)c2ccc(C(C)(C)C)nc2)o1 1875281049 NCDUJSXZLQIXCX-UHFFFAOYSA-N 309.391 2.730 0 50 DFAA COC(=O)/C=C/CNC(=O)[C@H](C)c1ccccc1C(F)(F)F 1875273190 FFSFPAOSPPXDKE-VHODGJRUSA-N 315.291 2.654 0 50 DFAA C[C@H](O)c1ccccc1OCc1cn(CCC(F)(F)F)nn1 881428020 AKEGGEQDTHSJBL-JTQLQIEISA-N 315.295 2.863 0 50 DFAA Cn1cnnc1CN1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 879454026 YWGJQKLFIYBUNU-INIZCTEOSA-N 306.360 2.691 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 899823008 WAYFKCKTYXTGLO-ZIAGYGMSSA-N 311.422 2.731 0 50 DFAA CC(C)C[C@@H](CC(=O)O)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 899834489 JIYYQKMTWRITMF-GUDXXQAFSA-N 301.386 2.578 0 50 DFAA COc1ccc(CN[C@@H](c2nccn2C)C2CCOCC2)cc1 275181108 AURRGLCPWDYJEE-QGZVFWFLSA-N 315.417 2.686 0 50 DFAA CC(C)c1ccccc1NC(=O)NCc1nnc(O)n1C1CC1 631479588 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O=C(O)[C@H]1CN(C(=O)c2ccc3c(c2)CCOC3)c2ccccc21 659145909 OSDCDKZADWSKLU-INIZCTEOSA-N 323.348 2.588 0 50 DFAA COCC(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 585131546 YWUPOVLMHIGMDV-UHFFFAOYSA-N 310.806 2.650 0 50 DFAA Cc1ccc2c(c1)CCN2C(=O)Cc1nnc(O)c2ccccc12 773380807 YXWIBRYIKLLTNM-UHFFFAOYSA-N 319.364 2.776 0 50 DFAA CN(C)c1cc(Cn2nc(-c3ccccc3F)ccc2=O)ccn1 782112753 SXZBWIUXJVPRAE-UHFFFAOYSA-N 324.359 2.559 0 50 DFAA CC(C)Sc1nnc(NC(=O)[C@@H]2CC(C(C)C)=NO2)s1 1506421364 IYUMTRRCAVIOIR-VIFPVBQESA-N 314.436 2.778 0 50 DFAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(C)s2)C1=O 1129067 GXUJIGKLLYAXSS-QMEHYBMDSA-N 311.384 2.654 0 50 DFAA O=C(c1ccc(-c2ccccc2F)cc1)N1C[C@H](O)[C@@H](F)C1 1616101657 PSIOPAMGLSQYKF-HOTGVXAUSA-N 303.308 2.648 0 50 DFAA COc1ccc(C[C@@H]2CN(C(=O)c3ccsc3)CCO2)cc1 12432770 QVOSRFODIIZILZ-MRXNPFEDSA-N 317.410 2.840 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2ncnc2N1 13131558 VCYKNRRSDLHEFA-GFCCVEGCSA-N 304.375 2.580 0 50 DFAA O=C(NC1Cc2ccccc2C1)[C@@H]1CC(Cc2ccccc2)=NO1 14979167 GUFOBHRPECPFMV-IBGZPJMESA-N 320.392 2.658 0 50 DFAA CN(C1CCOCC1)[C@H]1CCCN(CCc2ccccc2)C1 19789133 GLNDWYXVHMGITG-IBGZPJMESA-N 302.462 2.804 0 50 DFAA CN(CCc1ccccc1)C(=O)Cc1ccc([S@@](C)=O)cc1 225491221 OBWLYMKHOXFYFO-JOCHJYFZSA-N 315.438 2.668 0 50 DFAA O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1 121415936 CCTSODGRZFZZJK-RISCZKNCSA-N 321.327 2.533 0 50 DFAA CCCC1(O)CCN(c2cc(N3CCC[C@H](C)C3)ncn2)CC1 340984972 XZUBBWIBTCUFDW-HNNXBMFYSA-N 318.465 2.844 0 50 DFAA CS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC=CCCC2)ccn1 904104125 NMCNJFBLLUEBOE-GFCCVEGCSA-N 308.403 2.560 0 50 DFAA O=C(N[C@@H](c1ncccn1)C1CC1)c1ncccc1C(F)(F)F 906231669 DMPHDTLDGJNFGR-LLVKDONJSA-N 322.290 2.772 0 50 DFAA COc1ccc(NCc2nn(C)cc2Br)c(C)n1 1169392513 GUFOCFBQBUVOCJ-UHFFFAOYSA-N 311.183 2.507 0 50 DFAA O=C(OCC(=O)c1ccco1)c1cc(-c2ccc(F)cc2)[nH]n1 2325726194 RXEOKRWHZFWZAT-UHFFFAOYSA-N 314.272 2.849 0 50 DFAA Cc1n[nH]cc1CC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 2325824946 WSXYYQJBORLUBX-UHFFFAOYSA-N 309.373 2.702 0 50 DFAA Cc1ccc([C@H](O)CN[C@H](C)[C@@H]2COc3ccccc3C2)o1 902817355 ZZCWUIXJRDYFNJ-VNQPRFMTSA-N 301.386 2.851 0 50 DFAA O=C(CCOc1ccccc1)NCCc1nc2ccccc2[nH]1 133037 PEKYMWJHBIJKTM-UHFFFAOYSA-N 309.369 2.691 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 458317 ZZLPLVXNGLUDCG-AWEZNQCLSA-N 302.374 2.785 0 50 DFAA COc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 528414 QNZVYNNESTWZBU-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA O=C(NC1(C(=O)O)Cc2ccccc2C1)OCc1ccccc1 2599276 OPRSNCQSGNLHNH-UHFFFAOYSA-N 311.337 2.535 0 50 DFAA CC[C@]1(O)CCC[C@H]2CN(c3nc(C)c4c(n3)CCC4)C[C@H]21 2356149503 DSQDIVWZDLTDMQ-JOQOYGCGSA-N 301.434 2.651 0 50 DFAA Cc1cccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)c1 2749809 RGJYPMRFKDPEBK-UHFFFAOYSA-N 303.387 2.714 0 50 DFAA COc1ccccc1CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356165429 IECVJVLMUZFOFV-ZSHCYNCHSA-N 303.402 2.532 0 50 DFAA CCn1ccnc1[C@H](NC1CCC(OC)CC1)C1CCOCC1 344500710 ABDVEIINEYOAIY-OFLPRAFFSA-N 321.465 2.918 0 50 DFAA O=C(O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100149700 ODNSOLBMBSRWPW-QQXRRDQMSA-N 319.744 2.574 0 50 DFAA C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)c(F)c1 10493355 MACCLGWRVMHBLA-QMMMGPOBSA-N 310.325 2.783 0 50 DFAA CCOc1cc(S(=O)(=O)N(CC)CC)c(OCC)cc1C 9061907 IFZNJVUNTUYNEI-UHFFFAOYSA-N 315.435 2.823 0 50 DFAA CCOc1cc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)ccc1O 21525117 TYRWVHRLPFIFII-AWEZNQCLSA-N 319.386 2.597 0 50 DFAA Cc1[nH]cnc1CN[C@@H]1CCCN(Cc2ccccc2F)C1 22851492 OJKMYWZRKQGCLW-OAHLLOKOSA-N 302.397 2.611 0 50 DFAA CC1(C)CCCC[C@H]1NCc1csc(CS(C)(=O)=O)n1 119823436 ZIWIXOIFAYTBEE-GFCCVEGCSA-N 316.492 2.746 0 50 DFAA C[C@H](c1nccc(N)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 328596086 RUSXCLXEABQHMT-GFCCVEGCSA-N 320.400 2.785 0 50 DFAA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2NCc2cccs2)nn1 328603355 FVTSXGKSSWULEG-UONOGXRCSA-N 320.462 2.841 0 50 DFAA Nc1ccnc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)n1 67713538 DTBLHULJOLVYEA-UHFFFAOYSA-N 320.400 2.833 0 50 DFAA CCn1nccc1CNC(=O)c1cc(-c2cccs2)on1 2802403 TUDIAXHAOFHIFA-UHFFFAOYSA-N 302.359 2.550 0 50 DFAA CC(=O)N[C@H](CC1CCC1)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 253429778 IIVRKJFTLHMONZ-OWCLPIDISA-N 324.490 2.568 0 50 DFAA CN(C)C(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 4728132 GXTOQBPNEVHBHG-SDNWHVSQSA-N 300.383 2.607 0 50 DFAA Cc1c(NC(=O)c2ccc(=O)n(C)c2)cccc1-c1ncco1 359144286 PZLVUKBLWVBAFO-UHFFFAOYSA-N 309.325 2.601 0 50 DFAA c1ccc2c(CNc3ncnc4c3CCNCC4)cccc2c1 72406860 HNMXICCPBJUFOV-UHFFFAOYSA-N 304.397 2.930 0 50 DFAA CCc1cnccc1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 365723416 CIUOIXQLZNLBSU-CYBMUJFWSA-N 304.781 2.581 0 50 DFAA COc1cccc([C@@H](O)CNC2CCC3(CCCO3)CC2)c1 364962907 MAGWABDPNYVAKE-NXYGQSRBSA-N 305.418 2.810 0 50 DFAA COc1cccc2c(N3CC[C@@H](n4cncn4)C3)c(C)cnc12 365294526 QTMQBNADDYAMQJ-CYBMUJFWSA-N 309.373 2.595 0 50 DFAA C[C@H](NC(=O)C(C)(C)N)c1cccc(OCc2ccccn2)c1 237542295 FVTRZKWINDHCBP-ZDUSSCGKSA-N 313.401 2.575 0 50 DFAA COCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71757109 ABZSMERIWUYXRL-KRWDZBQOSA-N 322.424 2.531 0 50 DFAA Cc1nn(C)c(N2CCC2)c1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 863947873 KIWBCFUPUBAHAU-MELADBBJSA-N 302.422 2.703 0 50 DFAA CSCc1nc(CNC(=O)Cc2csc(C)n2)cs1 72428143 VHWVUTCXQQZBRI-UHFFFAOYSA-N 313.473 2.630 0 50 DFAA CCSCCCNC(=O)Nc1ccc([S@@](C)=O)cc1 337615787 LHYHNPCZQQSQDW-LJQANCHMSA-N 300.449 2.689 0 50 DFAA C[C@H]1C[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C[C@@H](C)O1 245901411 DRFQLFDGORLKSF-NEBZKDRISA-N 306.410 2.602 0 50 DFAA CN(C(=O)CCc1nc2ccccc2[nH]1)C1CCSCC1 223784295 MIUUURJRKBMISK-UHFFFAOYSA-N 303.431 2.850 0 50 DFAA CCc1nc(N2CCC[C@H](C(=O)O)C2)c2cc(C)sc2n1 41090688 UJEBKDXFBWNMFJ-JTQLQIEISA-N 305.403 2.863 0 50 DFAA CC(C)[C@H]1C=CCN1C(=O)c1ccc(-c2cnc(N)nc2)cc1 426734196 ZGSUVUYULOOBSJ-MRXNPFEDSA-N 308.385 2.762 0 50 DFAA O=C(NCc1cccc2[nH]ccc12)c1cnnn1-c1ccccc1 426478027 OTODWNBSOMKIBA-UHFFFAOYSA-N 317.352 2.679 0 50 DFAA Cc1cc(C(=O)NCCCn2ccnc2C(C)C)c(C)n1C 223255310 NCHRVGHBRXQXKR-UHFFFAOYSA-N 302.422 2.782 0 50 DFAA CCOc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)o1 222679746 TXLXAHZVZZCKIN-KGLIPLIRSA-N 323.389 2.548 0 50 DFAA CC(C)c1nnsc1CNC(=O)[C@@H]1Cc2ccccc2S1 426612662 KGNJTPROWQZGDJ-LBPRGKRZSA-N 319.455 2.995 0 50 DFAA C[C@@H]1CN(CCC(=O)NC2CCCCC2)CC[C@@]1(O)C1CCC1 91906486 KKOJKZUCGQZDQM-BEFAXECRSA-N 322.493 2.698 0 50 DFAA CCCN(C(=O)c1cc(CC(C)C)nn1C)[C@@H]1CCCC[C@H]1O 91493269 MAWUWLLJZKROHM-NVXWUHKLSA-N 321.465 2.774 0 50 DFAA CN(Cc1nccs1)C(=O)[C@H]1CCOc2ccccc2C1 95509539 JLUZGIZVYJXCJQ-ZDUSSCGKSA-N 302.399 2.743 0 50 DFAA CC(=O)N[C@H]1CN(C(=O)c2cccc(C)c2Cl)C[C@@H]1C(C)C 91848686 APZDLILSYPMKDJ-CABCVRRESA-N 322.836 2.881 0 50 DFAA COC[C@@H]1CCCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1 91807168 BEKHEXDMXPSZJI-CQSZACIVSA-N 300.402 2.695 0 50 DFAA CCc1ccc(Cn2nc(C)nc2COC[C@H]2CCCO2)cc1 96140419 VSUOFGGSOLWECS-QGZVFWFLSA-N 315.417 2.893 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)NCC1(O)CCCCCC1 183066621 KZJDLQBWUAJFCW-UHFFFAOYSA-N 307.438 2.762 0 50 DFAA O=C(Nc1ccnn1-c1cccc(F)c1)[C@@H]1CSCCS1 183884188 KKVMCJACPHSEQJ-LBPRGKRZSA-N 323.418 2.799 0 50 DFAA CCc1nsc(N2CC[C@@H](n3cnc4c3CCCC4)C2)n1 299738541 CCFKAKJMZVFSHM-LLVKDONJSA-N 303.435 2.627 0 50 DFAA O=C(CC1(n2cccc2)CCCCC1)NCCn1ccnc1 253406803 JHEMRYTVZFZSST-UHFFFAOYSA-N 300.406 2.551 0 50 DFAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCC1(Cn2ccnc2)CC1 534665972 KSFBGAKMRUPUQO-QGZVFWFLSA-N 307.397 2.883 0 50 DFAA CC(C)C1=NO[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 299801410 YIJQUTZGWUQUNQ-HNNXBMFYSA-N 322.792 2.731 0 50 DFAA O=C(C[C@@H]1CNCCO1)NCc1sc2ccccc2c1Cl 299793231 HPZJIZQBUZYHHS-SNVBAGLBSA-N 324.833 2.549 0 50 DFAA O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 629769708 QJOAEKNDONVOLJ-BVEJOUGXSA-N 305.805 2.815 0 50 DFAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCc3ccccc32)c1C 827864224 DJEYZZZXEMODTE-INIZCTEOSA-N 311.385 2.506 0 50 DFAA CC(C)C1=NO[C@@H](C(=O)N2CCCN(c3ccccc3)CC2)C1 584897924 KRWNWMSAICRTDE-QGZVFWFLSA-N 315.417 2.526 0 50 DFAA FC(F)CN1CCC(Cc2nc(-c3ccncc3)no2)CC1 874435003 ISJFUCKYKQWSFQ-UHFFFAOYSA-N 308.332 2.651 0 50 DFAA CNc1ccc(C(=O)N[C@H](c2ncon2)C(C)C)c(Cl)c1 952993157 DYLSFYFNKPEUML-LBPRGKRZSA-N 308.769 2.892 0 50 DFAA NC1(Cc2cn(C[C@H](O)c3cccc4ccccc34)nn2)CCC1 1875282239 UAWAXVNTHISDDM-SFHVURJKSA-N 322.412 2.589 0 50 DFAA CC(C)c1cccc(-c2ccc(C(=O)N3CCNCC3)cn2)c1 1875313962 ZMBNPKNXSQPEST-UHFFFAOYSA-N 309.413 2.917 0 50 DFAA Cn1cc(C[N@]2C[C@@H]2COc2cccc(Cl)c2Cl)cn1 1875378382 BIYHNZWKGXFDFJ-NSPYISDASA-N 312.200 2.990 0 50 DFAA CC[C@H]1COCCN1C(=O)c1cc(Cl)nc(Cl)c1C 1875369362 KCMKSYHVCSQKFK-VIFPVBQESA-N 303.189 2.948 0 50 DFAA C[C@H](Cc1cnc[nH]1)NC(=O)c1cc2c(F)ccc(F)c2[nH]1 1875344484 FPEGSDQRNUHUHJ-MRVPVSSYSA-N 304.300 2.530 0 50 DFAA C=CC(=O)N1CCC(C(=O)Nc2ccc(COCC)cc2)CC1 1875369527 UCQYMCKIWAUWLR-UHFFFAOYSA-N 316.401 2.586 0 50 DFAA O=C(O)[C@H](CNCc1cccc2ccoc12)C1CCOCC1 888099633 FEEZYBGKMOEMIW-OAHLLOKOSA-N 303.358 2.650 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cscc1C 275447785 WEOOASHXKVXHLH-STQMWFEESA-N 305.403 2.533 0 50 DFAA CC(C)C[C@H](C(=O)N[C@H](C)c1ccccn1)N1CCCCC1=O 86999146 YBLCBGMUBYXCLF-GDBMZVCRSA-N 317.433 2.686 0 50 DFAA C[C@H](OCC1CC1)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 685021044 JYMNBXKWJVFHBY-VIFPVBQESA-N 303.314 2.885 0 50 DFAA COc1ccc2c(c1)CN(C(=O)CCc1c(C)n[nH]c1C)CC2 194386616 STTUJRJLVFHGDU-UHFFFAOYSA-N 313.401 2.553 0 50 DFAA CC(C)(C)[C@@H](C(=O)O)C(=O)Nc1cccc(-c2ncc[nH]2)c1 663114941 SONBVEGLQONJPA-GFCCVEGCSA-N 301.346 2.762 0 50 DFAA CC(C)c1ncc(-c2nccn2-c2ccc3c(c2)nnn3C)cn1 1775982287 JEDMOVHKYPVYOS-UHFFFAOYSA-N 319.372 2.734 0 50 DFAA CSCC[C@@H](C)N1CCCN(C(=O)c2ncccc2C)CC1 1772810913 QLGGWWKBPXPNLV-OAHLLOKOSA-N 321.490 2.680 0 50 DFAA COc1ncccc1-c1nccn1-c1ccc2ncn(C)c2c1 1775982658 BYUNATSSYJHGIV-UHFFFAOYSA-N 305.341 2.830 0 50 DFAA CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1c[nH]c2ccccc12 13125271 FOMOLPVLQGNAGP-OAHLLOKOSA-N 323.356 2.611 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 16043452 BPGIOWYXIFXCJL-UHFFFAOYSA-N 321.336 2.739 0 50 DFAA CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NC[C@@H]1CCCO1 16580536 HBYXOTFHLREUDH-IRXDYDNUSA-N 303.402 2.628 0 50 DFAA O=C(c1c(F)cccc1F)N1CCN(Cc2ccco2)CC1 16602549 JSZMJEPRIRCNAC-UHFFFAOYSA-N 306.312 2.516 0 50 DFAA O=C(C[C@@H]1CCc2ccccc21)NCc1nc2ncccc2o1 1857678210 ILJGTTORNSOWIK-ZDUSSCGKSA-N 307.353 2.959 0 50 DFAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 408474444 XFVCAXLENMOMIZ-WBVHZDCISA-N 319.449 2.577 0 50 DFAA C[C@H](Sc1nccn1C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 225414723 LWZHPTIQMHHHPG-PEDHHIEDSA-N 307.463 2.842 0 50 DFAA Cc1cc(N2CCO[C@H](c3nccs3)C2)nc(C2CC2)n1 116260661 HZIGLLUIRGOMSI-LBPRGKRZSA-N 302.403 2.697 0 50 DFAA COc1cccc2c(C)c(C(=O)N(C)C3CCNCC3)oc12 237346243 WNGBNXBJJCOTTJ-UHFFFAOYSA-N 302.374 2.574 0 50 DFAA O=C(O)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 238030054 FUQOBPDADHCHDL-KBPBESRZSA-N 307.777 2.767 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nc2ccccc2s1 239038794 DYFKMYSUQISRAG-RBJBARPLSA-N 314.366 2.758 0 50 DFAA COc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)on1 154679297 VHGYXUIYGAALPO-UHFFFAOYSA-N 309.325 2.921 0 50 DFAA CC(C)[C@H](NCc1c(F)cncc1F)c1nnc2ccccn12 930236001 HGZKJEGIMRSYRQ-HNNXBMFYSA-N 317.343 2.889 0 50 DFAA Cn1cc([C@H](NC(=O)c2cnn(C3CCC3)c2)C(C)(C)C)cn1 934127780 POIUKNBACCUWFO-HNNXBMFYSA-N 315.421 2.859 0 50 DFAA O=C(O)CCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CC1 237942632 RNBDCONFPRUXTP-CVEARBPZSA-N 301.386 2.926 0 50 DFAA COc1ccc(CNCc2cc(C(=O)O)ccc2F)cc1O 2325744771 LGNINCLZJAQYKL-UHFFFAOYSA-N 305.305 2.528 0 50 DFAA Cc1cc(C(=O)Nc2ccc([C@@H](C)N)cc2)n2nc(C)cc2n1 2325745727 BYLMTQODPPBLMQ-GFCCVEGCSA-N 309.373 2.618 0 50 DFAA c1cc2c(cc1-c1nnc(-c3ccc4c(c3)OCO4)o1)OCO2 275942 IETZUPROJASXCZ-UHFFFAOYSA-N 310.265 2.861 0 50 DFAA O=C(Cc1ccc(Br)cc1)NCc1ccccn1 373074 LTZIPJZHAQBRDM-UHFFFAOYSA-N 305.175 2.703 0 50 DFAA O=C(Nc1cccc(F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 443644 FTTSMOKJWBQALQ-LLVKDONJSA-N 316.307 2.956 0 50 DFAA Cc1cccc(OCCNC(=S)SC(=S)N(C)C)c1 2972910 TZSQGOFVBCMOJU-UHFFFAOYSA-N 314.501 2.828 0 50 DFAA CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 4679828 VUHKCUZAPQAPTH-UHFFFAOYSA-N 314.794 2.897 0 50 DFAA O=C1C[C@@H](NC2CCCCC2)C(=O)N1c1ccc(Cl)cc1 4681856 IDAXZPHDPCGCLT-CQSZACIVSA-N 306.793 2.894 0 50 DFAA C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21)c1ccccc1 345911115 SPNDCHYBMSUDFV-CXAGYDPISA-N 308.381 2.733 0 50 DFAA Cc1cc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)ccc1F 65375691 GARJZGYTECSMQG-LLVKDONJSA-N 319.405 2.808 0 50 DFAA O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1C[C@H]2CC[C@H]1C2 101414422 UXNGXNWNFOCPJJ-JSGCOSHPSA-N 316.792 2.604 0 50 DFAA Cn1ccc(CCC(=O)N2CCC[C@@]2(C)Cc2ccccc2)n1 346945437 PDVWGZYBYMEGEK-IBGZPJMESA-N 311.429 2.977 0 50 DFAA CCCCC(=O)Nc1cc(NC(=O)[C@@H]2CCCO2)ccc1OC 21003168 IJICXLRJIZFXBA-HNNXBMFYSA-N 320.389 2.941 0 50 DFAA CCCn1ccnc1CN1CCC2(CCCN(C)CC2)CC1 67868298 XUIYNHMIDPMGAZ-UHFFFAOYSA-N 304.482 2.991 0 50 DFAA CC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc1 21660217 VAHHLZKCSQKNTP-UHFFFAOYSA-N 311.263 2.894 0 50 DFAA CN(C)CCNCCOCCSc1ccc(Cl)cc1 20418895 YOPBXUMKSORQIH-UHFFFAOYSA-N 302.871 2.600 0 50 DFAA OCC[C@@H]1CN(Cc2ccccc2F)CCN1C1CCCC1 23359122 ZFGSMDJNLHNRGS-QGZVFWFLSA-N 306.425 2.637 0 50 DFAA OCC[C@@H]1CN(Cc2c(F)cccc2F)CCN1C1CCCC1 23375561 JBAWPGOSCVGGBV-OAHLLOKOSA-N 324.415 2.776 0 50 DFAA CCc1ccnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 331920522 LPZNZKYBSMRZDV-RDJZCZTQSA-N 314.360 2.731 0 50 DFAA CC(C)n1cnnc1CN(C)Cc1ccc2cccc(O)c2n1 67490565 GFLMPWQXYPGHNO-UHFFFAOYSA-N 311.389 2.745 0 50 DFAA COc1ccc2c(C)nc(N(C)C[C@@]3(C)CCN(C)C3)nc2c1 67757030 RZUGTRKISAGTSC-SFHVURJKSA-N 314.433 2.725 0 50 DFAA CCN(CCC1=CCCCC1)C(=O)[C@H]1CCCN(C(N)=O)C1 65370918 UVRYCTXIEBGBQZ-HNNXBMFYSA-N 307.438 2.516 0 50 DFAA COC(=O)[C@H](C)CN1CCC(n2c(C)nc3ccccc32)CC1 253416939 VECRSUGDNRASSU-CYBMUJFWSA-N 315.417 2.791 0 50 DFAA Cc1sc(NC(=O)c2cc(F)cc(F)c2)c(C(N)=O)c1C 2747717 QPLDISRIECUUSB-UHFFFAOYSA-N 310.325 2.994 0 50 DFAA COc1ccc2oc(=O)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1 2707899 HJJOPYBJWWNYGZ-VXGBXAGGSA-N 315.369 2.920 0 50 DFAA biogenic CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@@H]2CCCSC2)cn1 328633159 LUABLOPKVYICHA-NFAWXSAZSA-N 308.451 2.548 0 50 DFAA COc1ccc(-n2cccn2)c(CN(C)[C@@H](C)c2ccncn2)c1 215144868 SYEFERQANMXFCR-AWEZNQCLSA-N 323.400 2.864 0 50 DFAA CC(C)OC(=O)CCNC(=O)Nc1cc(C(F)(F)F)ccn1 434226159 PPAYQCUJRGSCNV-UHFFFAOYSA-N 319.283 2.564 0 50 DFAA COc1cccc(CNC(=O)c2ccccc2[C@@H]2CCNC2)c1 72152419 LNBHCPMRNMMANE-OAHLLOKOSA-N 310.397 2.702 0 50 DFAA CC(C)CCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCO1 71774893 CKRGIEAOLDKROO-CYBMUJFWSA-N 305.422 2.566 0 50 DFAA O=C(Cc1noc2ccccc12)NCc1n[nH]c2c1CCCCC2 215758174 JWSUDYKONPXHRE-UHFFFAOYSA-N 324.384 2.679 0 50 DFAA CO[C@@H](CN[C@H](C)c1nnnn1-c1ccccc1)c1ccccc1 338565337 XGKDBVPMKZKHIL-PBHICJAKSA-N 323.400 2.701 0 50 DFAA O[C@@]1(c2ccccc2)CCN(Cc2ccc(-n3ccnc3)cc2)C1 216077521 CJJSFJCMIDBDSG-FQEVSTJZSA-N 319.408 2.966 0 50 DFAA COC1(CC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCC1 376106781 MALHYFXIKGEWGS-SJORKVTESA-N 317.429 2.570 0 50 DFAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 33270400 XJCVIFXYLWFFOV-CQSZACIVSA-N 324.377 2.902 0 50 DFAA CCc1cnc(N2CCN(C(=O)[C@H](C)C(C)(F)F)CC2)s1 340808603 ZGLVXFIMAWVYTC-JTQLQIEISA-N 317.405 2.645 0 50 DFAA CCC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(CC)C2)c1 241588566 PECDLPVSGJYNBS-NSHDSACASA-N 322.792 2.740 0 50 DFAA Cn1cc(Cl)cc1C(=O)Nc1ccc2ccn(C)c(=O)c2c1 342608011 SWARXWDDYLVQBC-UHFFFAOYSA-N 315.760 2.783 0 50 DFAA CC(=O)CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 226813661 XMUOMIROPNJGCO-AWEZNQCLSA-N 307.346 2.515 0 50 DFAA CSc1ccccc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 220281076 ZIUSGOUYEFJSRL-CABCVRRESA-N 321.442 2.722 0 50 DFAA CCc1ccc(C(=O)N2CCC(Cn3ccnc3C)CC2)[nH]1 220070513 VFWRXEWWVMNGCS-UHFFFAOYSA-N 300.406 2.634 0 50 DFAA Cc1nc(-c2cnc(N)nc2C)n(Cc2ccc(Cl)cc2)n1 96166214 JJTCKMZXQVXREX-UHFFFAOYSA-N 314.780 2.636 0 50 DFAA O=C(O)c1ccccc1CN1CCC[C@](CO)(CC2CC2)C1 91410029 YXWSPZJRWZAPND-SFHVURJKSA-N 303.402 2.759 0 50 DFAA Cc1ccc2[nH]c(C(=O)N[C@H](C)c3nnc(N)s3)c(C)c2c1 91519434 CXFLNTPKOOYDID-SECBINFHSA-N 315.402 2.709 0 50 DFAA Cn1ccc2c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cccc21 238924087 QVUJSYLVJRMETD-JOCQHMNTSA-N 314.385 2.799 0 50 DFAA Cc1ccc(OCC(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)cc1C 95528748 RLGFHJKXJHQFDC-ZWKOTPCHSA-N 318.461 2.727 0 50 DFAA COc1cc(C(F)(F)F)cnc1I 238337420 YLTKZEWXNJRYMQ-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA CCc1ccc(CN(C)CC(=O)NC2CCCCCC2)nc1 244633715 GIIKRAAALGOTMJ-UHFFFAOYSA-N 303.450 2.915 0 50 DFAA Cc1nnsc1C(=O)N1CCC[C@H]1COc1ccccc1 295604824 SYKRLZJIQFUTPI-LBPRGKRZSA-N 303.387 2.530 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 269031731 MYMCLYWSKAGFTM-FZKQIMNGSA-N 301.386 2.505 0 50 DFAA CC(=O)c1c(C)nn(CC(=O)N[C@H](C)Cc2ccsc2)c1C 821471674 SWYKDHFOXGEYDL-SNVBAGLBSA-N 319.430 2.511 0 50 DFAA CCCN1C[C@@H](Nc2nnc(-c3ccccc3)s2)CC1=O 822919136 FOPAFFGBINPYFO-LBPRGKRZSA-N 302.403 2.628 0 50 DFAA C/C(=C\C(=O)N1CCCNCC1)c1ccccc1C(F)(F)F 269125902 MCFAHYZUJQWXRL-VAWYXSNFSA-N 312.335 2.931 0 50 DFAA Cc1cc2n(n1)CCN(CCOc1ccccc1OC(C)C)C2 670444256 OGCVUXURGDBWGL-UHFFFAOYSA-N 315.417 2.873 0 50 DFAA C[C@@H](CCc1ccccc1F)NC(=O)[C@@H]1CC(C2CC2)=NO1 1875327613 BOGJWUOEFNQMJC-ZBEGNZNMSA-N 304.365 2.818 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCc4occc4C3)n[nH]c21 1875394984 FGSXWOLHUYFTRZ-MNOVXSKESA-N 315.373 2.614 0 50 DFAA COC(=O)c1cc(-c2ccccc2)nn1C[C@H]1C[C@@]12CCOC2 1875280884 DZQWPZWIRLRGOJ-RDTXWAMCSA-N 312.369 2.763 0 50 DFAA Cn1c(SCC(=O)NC2[C@@H]3CCCC[C@@H]23)nc2ccccc21 1875263953 ZWQVFGOTCPFXDG-VXGBXAGGSA-N 315.442 2.970 0 50 DFAA CC[C@H](Nc1ccc(N2CCOCC2)cn1)c1nccs1 1875285647 UWZHTANNRNTWHY-ZDUSSCGKSA-N 304.419 2.938 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)c2ccsc2)C1 958527574 DDXCQCBDUZKTEG-SWLSCSKDSA-N 312.435 2.510 0 50 DFAA CCCO[C@H]1CCCN(S(=O)(=O)c2cc(C)sc2C)C1 952970106 BPKAWQWITPTPDD-ZDUSSCGKSA-N 317.476 2.945 0 50 DFAA CCCc1noc(CN(C)C(=O)c2cnc3c(c2)CCCC3)n1 952982483 MARPLGYFWKGXQW-UHFFFAOYSA-N 314.389 2.568 0 50 DFAA CCc1noc([C@]2(C(F)(F)F)CCN(c3ccccn3)C2)n1 1775960354 GZONIBUWTQJQPP-ZDUSSCGKSA-N 312.295 2.737 0 50 DFAA O=C(Nc1ccc(N2CCCCC2)nc1)C1(O)CCCCC1 86560040 NQNOXSUNNQQENZ-UHFFFAOYSA-N 303.406 2.706 0 50 DFAA NC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCCC1 170048015 QZBSFVIZEFIPAT-OLZOCXBDSA-N 308.372 2.846 0 50 DFAA CCNC(=O)CNc1nc(C)nc2scc(CC(C)C)c12 301117306 WXLKOUGRONGJEX-UHFFFAOYSA-N 306.435 2.746 0 50 DFAA CCc1cccc([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 170618117 RQHOCUIMBOCQJB-HNNXBMFYSA-N 318.398 2.953 0 50 DFAA C[C@H]1C[C@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CCO1 225561122 DFUQVUKENWRWCE-FUHWJXTLSA-N 322.493 2.916 0 50 DFAA O=C(c1cc2occc2[nH]1)N1CCO[C@H](Cc2ccccc2)C1 776539636 XHHPFVYQVASUQQ-CQSZACIVSA-N 310.353 2.845 0 50 DFAA Cn1nccc1CCC(=O)Nc1nc2c(F)cccc2s1 1506397259 QOIXKCUUBBAVOX-UHFFFAOYSA-N 304.350 2.740 0 50 DFAA COc1cccc([C@H](C)N(C)C(=O)CCc2ccnn2C)c1 1506400115 UBOVDIAVADOEMH-ZDUSSCGKSA-N 301.390 2.581 0 50 DFAA Cc1cc(C(=O)Nc2c(N3CCCC3)nn(C)c2C)cc(C)n1 1529168350 ATLRNSSZDAMVMN-UHFFFAOYSA-N 313.405 2.593 0 50 DFAA CCCC[C@@H]1CN(c2cc(OC)nc(OC)n2)C[C@H](C2CC2)O1 1529094602 IJCYCPYHYORSCQ-ZIAGYGMSSA-N 321.421 2.668 0 50 DFAA CC1(C)C[C@]1(NC(=O)NC[C@H]1CCN1C1CC1)c1ccccc1 1616044700 WLRJWCSBSWRQLS-APWZRJJASA-N 313.445 2.848 0 50 DFAA CC(C)CC(=O)N(C)Cc1nnc2n1CCC[C@H]2C(F)(F)F 1616037274 FTYXKAYYCXJMLJ-SNVBAGLBSA-N 318.343 2.722 0 50 DFAA CN(C)c1cc(CNC(=O)[C@H]2CCc3ccccc3C2)ccn1 1615050837 DAFONWVGAGGDKX-KRWDZBQOSA-N 309.413 2.569 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C2CC2)c(C)c1 1772807318 MLAGEDFPPSXTKW-HZPDHXFCSA-N 323.458 2.536 0 50 DFAA O=C(NCCc1ccco1)[C@@H]1CC(CCc2ccccc2)=NO1 12036076 NBTSMODAXDWQNB-KRWDZBQOSA-N 312.369 2.716 0 50 DFAA COC(=O)CCCC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1 12315055 NRDGMKHDMNJLQC-HNNXBMFYSA-N 322.380 2.572 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)NCCCN2CCCCC2)c1 13648806 PXNATXVMHHQLNH-MRXNPFEDSA-N 304.434 2.755 0 50 DFAA O=C1CCN(C(=O)c2ccsc2)CCN1Cc1ccccc1 15005056 ONGMFJRPFDYJBU-UHFFFAOYSA-N 314.410 2.623 0 50 DFAA CCOc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1 19362154 GEKKDNKMAMXFIG-UHFFFAOYSA-N 311.429 2.798 0 50 DFAA CN1CCO[C@@H](Cn2ccnc2-c2cc(Cl)ccc2F)C1 1857672041 GCWGISLEDNJNLM-GFCCVEGCSA-N 309.772 2.673 0 50 DFAA Cc1nn(C)c2c1[C@H](NC(=O)CCc1cccc(F)c1)CCC2 1857672056 GXUVDESHHSHIGV-OAHLLOKOSA-N 315.392 2.994 0 50 DFAA Cn1nc2c(c1NC(=O)CSC[C@H]1CCCCO1)CCCC2 601843897 YTCUMRARUSFXNO-GFCCVEGCSA-N 323.462 2.540 0 50 DFAA CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O 392030 JDGXKNMKNMSHRJ-INIZCTEOSA-N 313.353 2.951 0 50 DFAA biogenic,in-vitro Cc1ccc(C(=O)NC[C@H](CO)Cc2ccncc2)c(Cl)c1 408523466 RSQJYJJPXAOXRP-CQSZACIVSA-N 318.804 2.624 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)[C@@H]1OCCc2ccccc21 237988734 KDLXAKJGGUAREU-RHSMWYFYSA-N 317.385 2.546 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CC1CCSCC1 250826297 HQGABNDIDLOSIG-MCIONIFRSA-N 311.447 2.764 0 50 DFAA O=C(Nc1cccnc1OCc1ccccc1)C12CCN(CC1)C2 900262674 SPWJCVHFBDKPCV-UHFFFAOYSA-N 323.396 2.695 0 50 DFAA Cc1nccn1C[C@@H](C)CNC(=O)c1cnc2sccc2c1 2325759941 TZTMUZZCQOVXSS-NSHDSACASA-N 314.414 2.867 0 50 DFAA Cn1nnc2c(CNC[C@H]3CCOc4ccccc43)cccc21 2325805938 GWMFUOZONIJOMZ-CYBMUJFWSA-N 308.385 2.624 0 50 DFAA Cc1cc(NC(=O)CN2CC[C@H](C)C[C@H]2c2ccco2)no1 110642791 LCEVJEXCBQCLCU-AAEUAGOBSA-N 303.362 2.988 0 50 DFAA CCOc1ccccc1NC1=NS(=O)(=O)c2ccccc21 148155 KXMLRKYQFRMSLT-UHFFFAOYSA-N 302.355 2.646 0 50 DFAA CCOc1ccc(C(=O)c2ccc(OCC)c(N)c2)cc1N 297958 DOZPZTDYBCVULP-UHFFFAOYSA-N 300.358 2.879 0 50 DFAA C[C@@H](Sc1nc2cc(Br)ccc2[nH]1)C(=O)O 2488479 QQRYPZOCADTCGF-RXMQYKEDSA-N 301.165 2.891 0 50 DFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 2567683 BBACSHIJBOGXKL-MRXNPFEDSA-N 313.353 2.697 0 50 DFAA CC[C@@H](C)Oc1ccccc1OCCOCCN1CCOCC1 20652627 YUJMSJCYRRWARO-MRXNPFEDSA-N 323.433 2.592 0 50 DFAA O=C(Nc1ccccc1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28404225 WJTIPDZDCAPUAL-CQSZACIVSA-N 312.344 2.813 0 50 DFAA Cc1nc2c(N[C@@H](C)c3nc(-c4ccncc4)no3)ncnc2o1 63855479 KRBRVLGRTWSVCB-QMMMGPOBSA-N 323.316 2.544 0 50 DFAA Cc1ccc2[nH]c(=O)c(CN3CC(n4nc(C)cc4C)C3)cc2c1 67885937 FOMSDVDKJDPYJL-UHFFFAOYSA-N 322.412 2.707 0 50 DFAA c1ccc2c(c1)CC[C@@H](NCCCCCN1CCOCC1)C2 65427881 NZYZQMAXGRYQSE-LJQANCHMSA-N 302.462 2.636 0 50 DFAA Cc1cc(C)n(-c2ccc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)nn2)n1 230155267 OWPAGULRCVGYFN-ZNMIVQPWSA-N 313.405 2.649 0 50 DFAA Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3[C@@H](C)N)cc2)c1 121905014 SXHFBTQLERJEKS-PBHICJAKSA-N 312.417 2.523 0 50 DFAA CC(C)[C@H](CNC(=O)N1CC2(CCOCC2)C1)c1cccnc1 366156202 OQMVIYPIPPRSQK-INIZCTEOSA-N 317.433 2.643 0 50 DFAA COc1ccc(C[C@H](C)C(=O)Nc2c(C)ccn(C)c2=O)cc1 123853603 XDNCAFVIYYVTJO-ZDUSSCGKSA-N 314.385 2.520 0 50 DFAA CCOc1cc(CO)ccc1OCc1ccc(C(=O)O)cc1 4978167 HUNWOYXKLAAREX-UHFFFAOYSA-N 302.326 2.855 0 50 DFAA CCCc1nnc(S)n1CCc1ccc(OC)c(OC)c1 6400080 RELIPMWDWOXTOE-UHFFFAOYSA-N 307.419 2.779 0 50 DFAA C[C@@H](NC(=O)C1(C(=O)O)CC1)c1ccc(OC(F)(F)F)cc1 154789950 YNLKIAHYXKEYST-MRVPVSSYSA-N 317.263 2.627 0 50 DFAA C[C@H](NC(=O)c1ccc(C(=O)O)cc1)[C@@H]1COc2ccccc21 237595549 FZSXATDAABDAMT-NHYWBVRUSA-N 311.337 2.679 0 50 DFAA CC[C@@](CNC(=O)c1scnc1C)(C(=O)O)c1ccccc1 262979318 KRNDEVOXSRNYMR-INIZCTEOSA-N 318.398 2.614 0 50 DFAA C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 261893332 ZZNXCQQTPZNPQD-AXFHLTTASA-N 311.328 2.985 0 50 DFAA CNC(=O)CCCNc1cc(-c2ccccc2)nc2cc(C)nn12 72480584 LCHDCFSNJPOWIQ-UHFFFAOYSA-N 323.400 2.643 0 50 DFAA COCCc1noc(CN2CCC[C@@](C)(c3ccccc3)C2)n1 79097517 PUAXNUHKYVXCKG-GOSISDBHSA-N 315.417 2.812 0 50 DFAA CC[C@H](C)[C@@H](NC(=O)c1cn(C)cn1)c1nc2ccccc2[nH]1 340091464 GYGDJLZTQXAOJC-XHDPSFHLSA-N 311.389 2.814 0 50 DFAA O=C1[C@H](Cc2ccccc2F)NCCN1Cc1ccccc1F 40457250 PAQVJGLJYLDHEM-KRWDZBQOSA-N 316.351 2.508 0 50 DFAA O=C(NC[C@H](O)c1cccc(O)c1)NC1CCCCCCC1 426521463 PANHRKAXWWRZBD-INIZCTEOSA-N 306.406 2.838 0 50 DFAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)Cc2cccnc2)n1 223612862 YETUKMUKBGAJEV-CYBMUJFWSA-N 322.368 2.860 0 50 DFAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1nc2ccccc2[nH]1 426705998 YSAPVQSGFQBZOP-ZDUSSCGKSA-N 307.353 2.639 0 50 DFAA CCc1ccc(CN(C)C(=O)[C@H](C)n2cc(Cl)cn2)nc1 426376279 DJTKSJUJTXIWAX-NSHDSACASA-N 306.797 2.714 0 50 DFAA C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)c1nc[nH]n1 179489947 GYGZVRGXNVZRIY-JTQLQIEISA-N 320.343 2.772 0 50 DFAA Cc1cnc(Cn2cc(-c3cccc([C@@H](C)N(C)C)c3)nn2)cn1 91943420 CMYRFSSJCVZKOJ-CQSZACIVSA-N 322.416 2.714 0 50 DFAA C[C@@H]1CCC[C@@]1(O)CNc1nc(-c2cccnc2)nc2c1CCC2 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311.422 2.684 0 50 DFAA CSCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 534641450 UUIHBIAAPQIMTE-AWEZNQCLSA-N 312.866 2.956 0 50 DFAA CC[C@@H](NC(=O)c1cc(=O)cc(C)o1)c1nc(C)c(C)s1 299774860 IZLJMPLDSCYUCN-GFCCVEGCSA-N 306.387 2.903 0 50 DFAA CSc1ncc(C(=O)NCc2nc(C(C)(C)C)cs2)cn1 299765519 BNNNPAUHUKFYKL-UHFFFAOYSA-N 322.459 2.883 0 50 DFAA Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cn(C)cn2)C1 299757627 HZWDXEXTMVIODF-HNNXBMFYSA-N 313.401 2.660 0 50 DFAA Cn1nccc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 185410444 DRFCGHTYXNWMFP-CYBMUJFWSA-N 302.353 2.656 0 50 DFAA O=C(c1cccnc1F)N1CCC2(CC1)CNc1ccccc12 1875372584 IVYMDLKZOCXJTQ-UHFFFAOYSA-N 311.360 2.820 0 50 DFAA c1nc2ccsc2c(=NCc2ccc(N3CCCC3)cn2)[nH]1 1875306927 PZMJONJPDQFEMV-UHFFFAOYSA-N 311.414 2.721 0 50 DFAA O=C1CC[C@@H](NC(=O)c2ccccc2F)[C@H](c2ccccc2)N1 1873772618 MUNOIZOMTMCPKL-WBVHZDCISA-N 312.344 2.575 0 50 DFAA Cc1ccc(N2CCCCC2)cc1NC(=O)[C@H]1CCCC(=O)N1 1875278738 ZYGUSWANLWNRPA-OAHLLOKOSA-N 315.417 2.593 0 50 DFAA CC(C)(C)n1nccc1CNc1ccc(N2CCNCC2)cc1 1875283619 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O=C(N[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H](O)c1ccccc1 221817326 YNFRKOMHYKGRDH-BJJXKVORSA-N 303.308 2.671 0 50 DFAA Cc1cccc(CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 110767464 FOAQBNBGFILJKC-INIZCTEOSA-N 324.428 2.870 0 50 DFAA Cc1ccnc(NC(=O)C2CCN(CC(F)(F)F)CC2)c1 225506317 WTDOYMOARZMCGU-UHFFFAOYSA-N 301.312 2.603 0 50 DFAA CCc1nc(C2CCN(Cc3nccn3C(C)C)CC2)n[nH]1 190706290 XBVDGBLIXGZMLY-UHFFFAOYSA-N 302.426 2.524 0 50 DFAA O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC[C@H](C(=O)O)O1 191155042 ISVZGKOBLKFWBJ-VHSXEESVSA-N 304.129 2.564 0 50 DFAA Cc1nc(CCNC2CSCCSC2)nc2c1CCCC2 1506401919 KUDURUZDUZLYRC-UHFFFAOYSA-N 323.531 2.645 0 50 DFAA CN(C)c1nc(NCCCCN2CCCCCC2)ncc1F 1529189834 AFOQISYUHHXYMD-UHFFFAOYSA-N 309.433 2.750 0 50 DFAA Oc1ccc(CC2CCN(CCn3cc(Cl)cn3)CC2)cn1 1772805135 ICGIUQFUYNQKEG-UHFFFAOYSA-N 320.824 2.592 0 50 DFAA O=C(NCc1ccsc1)c1cc(COc2ccccc2)[nH]n1 12205043 YKEBDWRSLYYQPO-UHFFFAOYSA-N 313.382 2.980 0 50 DFAA Cc1ccc(C(=O)NCc2nnc(SCC(C)C)n2C)cc1 14883725 GAEFKVWMPWIGHD-UHFFFAOYSA-N 318.446 2.802 0 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488714363 FNIBIUHGUKIOPD-UHFFFAOYSA-N 305.328 2.798 0 50 DFAA Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cccc(C)n2)n1 377714929 ASRVDFPSJBAYNM-HNNXBMFYSA-N 310.401 2.810 0 50 DFAA COc1ccc(Cl)c2c1CCC[C@@H]2NC1CC(C(N)=O)C1 903212031 FXGCPKMLRYHROM-ZPPKWKGLSA-N 308.809 2.580 0 50 DFAA O=C(O)Cc1occc1C(=O)NC1(c2ccccc2Cl)CC1 909856064 KMHGQVBBKVGEHM-UHFFFAOYSA-N 319.744 2.979 0 50 DFAA COc1c(C)cccc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 6668214 RARPRIJAYYBQBL-UHFFFAOYSA-N 312.325 2.587 0 50 DFAA C[C@@H](NC(=O)c1ccn(CC(F)F)n1)c1ccc(Cl)nc1 2325738710 ULEMZHLAMQTZGU-MRVPVSSYSA-N 314.723 2.688 0 50 DFAA O=C(Nc1nccs1)[C@H]1CC[C@H](Nc2cnccn2)CC1 929519985 JGMBEWOQYHEHTO-XYPYZODXSA-N 303.391 2.543 0 50 DFAA Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 121328 ZVVXZCOLSNAVEP-UHFFFAOYSA-N 311.381 2.900 0 50 DFAA CC(=O)Nc1ccc(NCC[C@@H](O)Oc2ccccc2)cc1 310478 FJOILEHPBAAZAZ-KRWDZBQOSA-N 300.358 2.844 0 50 DFAA COC(=O)Nc1sc2c(c1C(N)=O)CCc1ccccc1-2 1054455 BYJJXROOUROYEZ-UHFFFAOYSA-N 302.355 2.791 0 50 DFAA C[C@H](O)CNCCOc1ccc2ccccc2c1Br 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Cc1cccc(NC(=O)[C@H](C)n2ncc3ccccc3c2=O)c1 65362095 RQRBVJGHBWOLIJ-ZDUSSCGKSA-N 307.353 2.905 0 50 DFAA CC(=O)N1CCC(N2CCC([C@@H](O)c3cccs3)CC2)CC1 65375972 OPPJEXYLZBXWTR-QGZVFWFLSA-N 322.474 2.504 0 50 DFAA CCO[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3O2)C12CCOCC2 252586605 RHMVRDNGUNDKKN-KBAYOESNSA-N 317.429 2.554 0 50 DFAA C[C@H](NC(=O)c1cccc(C(=O)O)n1)c1ccc(F)c(F)c1 362495671 DBFTZLQUVHCDRE-QMMMGPOBSA-N 306.268 2.549 0 50 DFAA O=S(=O)(Cc1ccnc(-c2ccc(F)cc2)n1)CC1CC1 155071505 RNUWBUDMINWRSN-UHFFFAOYSA-N 306.362 2.608 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@@H](N2CCCC2)C1 363757021 JTLLDBDUFHEAIC-CQSZACIVSA-N 315.442 2.997 0 50 DFAA Cc1ccc(SCCCNC(=O)[C@H]2CCCN(C)C2)cc1 71375865 ZRGJNVBLOCNKCR-HNNXBMFYSA-N 306.475 2.935 0 50 DFAA Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1 237409808 WKZRPWPGWLLOLU-HZPDHXFCSA-N 304.434 2.658 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N3CCC[C@H]3C(=O)O)c2)cc1 237735392 NEWPTQQHJYAPTK-INIZCTEOSA-N 310.353 2.746 0 50 DFAA Cc1cc(NCc2csc(-c3ncccn3)n2)n2nccc2n1 72426139 WPFKBXGRDPZCDK-UHFFFAOYSA-N 323.385 2.563 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)Nc2ccc(C3CCC3)cn2)C1 262993254 DWQSEGPXRMYLHU-INIZCTEOSA-N 303.362 2.678 0 50 DFAA C[C@H](Cc1ccccc1)N1CCC(NCc2nccn2C)CC1 453101251 YSALNSNCPCPGQM-MRXNPFEDSA-N 312.461 2.605 0 50 DFAA Cc1noc(C)c1CN1CCC([C@@H](O)c2ccccn2)CC1 216197037 LTKZXXDPLLQHIG-QGZVFWFLSA-N 301.390 2.632 0 50 DFAA CN1CCN(c2ccccc2CNCc2ccsc2)CC1 241447067 NQVSLRZZMDRACO-UHFFFAOYSA-N 301.459 2.790 0 50 DFAA CC(C)c1cc(NCC2(Cn3cccn3)CC2)n2nccc2n1 72135172 ZUAUJUSRRPMQGU-UHFFFAOYSA-N 310.405 2.942 0 50 DFAA CC(C)(C)OC(=O)NC1CCN(c2cncc(Cl)n2)CC1 71257068 AQINZZSEGNJHBA-UHFFFAOYSA-N 312.801 2.624 0 50 DFAA O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1 41739029 DOBKQCZBPPCLEG-UHFFFAOYSA-N 311.370 2.607 0 50 DFAA in-vitro O=C(Cc1cccs1)N(Cc1ccncc1)C[C@@H]1CCCO1 220429021 MMZFIBQBHBZFQG-HNNXBMFYSA-N 316.426 2.893 0 50 DFAA Cc1cnc([C@H](C)NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 177949032 SUESFYKKAVAHFK-CMPLNLGQSA-N 315.398 2.755 0 50 DFAA 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2.803 0 50 DFAA Cc1nonc1CNC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12 584898056 JZFMTMYTMLWZNJ-UHFFFAOYSA-N 312.373 2.643 0 50 DFAA CC(=O)c1cc(CN2CCN(c3ccccc3)C[C@H]2C)n(C)c1 670451062 FWXRTQOQAKIMOF-OAHLLOKOSA-N 311.429 2.938 0 50 DFAA Cc1cc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2)n(C)n1 874640270 ZVUUBHOMFJYTDX-SECBINFHSA-N 312.295 2.633 0 50 DFAA COc1ccc(-c2cc(N3C[C@@H](C)C[C@@H](CO)C3)ncn2)cc1 1875275810 UGFSGPWSPWNRCJ-UONOGXRCSA-N 313.401 2.607 0 50 DFAA COc1ccc(CN[C@H](C)CN2CCc3ccccc3C2)cn1 952980423 QIBUGRKVGAZPPL-OAHLLOKOSA-N 311.429 2.627 0 50 DFAA O=C(O)c1cc(O)nc(SCc2ccc(C(F)(F)F)o2)n1 1772493164 HGWBBYLYUGRVHY-UHFFFAOYSA-N 320.248 2.785 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)CCN1 188457841 UPFWWRJUWQVBOH-SWHYSGLUSA-N 312.335 2.629 0 50 DFAA CNC(=O)C1CCN(Cc2oc(-c3ccccc3)nc2C)CC1 639443092 UUCPDEGFIPNLNC-UHFFFAOYSA-N 313.401 2.608 0 50 DFAA COCOc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1 408515445 XSACYVDVDIIVSQ-UHFFFAOYSA-N 324.377 2.523 0 50 DFAA 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COCCc1noc([C@@H]2CCCCN2Cc2ccccc2)n1 65491096 JCUPZFATXCRVCB-HNNXBMFYSA-N 301.390 2.986 0 50 DFAA Cc1cc(NS(=O)(=O)CCc2ccccc2)ccc1C(=O)O 314841031 SBUWRBVFIUJIID-UHFFFAOYSA-N 319.382 2.678 0 50 DFAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)[C@H]1C[C@@H]1C1CC1 328616193 BLHOQOHEUHCJIU-MHORFTMASA-N 313.445 2.579 0 50 DFAA CO[C@H]1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)C1 72425438 GSQIOVAKBOTAKI-HNNXBMFYSA-N 308.385 2.930 0 50 DFAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(O)n1 283480710 BZZDLGHFIYROGS-SNVBAGLBSA-N 302.378 2.538 0 50 DFAA O=C(COc1ccc2c(c1)CCCC2)N1CC[C@@]2(CCOC2)C1 126069250 QHOKXXBWGDVPRW-LJQANCHMSA-N 315.413 2.583 0 50 DFAA CSc1ncccc1C(=O)N1CC[C@@H](n2nc(C)cc2C)C1 219605270 GJQFXRLNJUXHRJ-CYBMUJFWSA-N 316.430 2.704 0 50 DFAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cnnc(C)c1)[C@@H]2C 332527173 SRYVKXXSOPSOSP-CHWSQXEVSA-N 311.385 2.942 0 50 DFAA COCCc1nsc(N2Cc3ccccc3OC[C@@H]2C)n1 373104878 SDSRZHMMJQGLJV-NSHDSACASA-N 305.403 2.515 0 50 DFAA O=C(NCCCSCc1ccc(Cl)cc1)[C@H]1CCNC1 216200835 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COc1ccccc1N1CCC(NC(=O)C[C@H](C)SC)CC1 179274197 JMWXYPVNYQAXCZ-ZDUSSCGKSA-N 322.474 2.922 0 50 DFAA Cc1nscc1C(=O)NCc1ccc(N2CCCC2=O)cc1 179498905 FFCOLBTYGFXYND-UHFFFAOYSA-N 315.398 2.508 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CC[C@@](O)(C3CC3)[C@H](C)C2)c1 91663133 OHMICSWURWDFAC-DIFFPNOSSA-N 323.820 2.972 0 50 DFAA CC(C)(N)C(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 91745455 BOPPVWRPXYHOFD-QGZVFWFLSA-N 324.424 2.998 0 50 DFAA Cc1cc(C)c2c(N3CCC[C@@H](Cn4ccnc4)C3)ncnc2n1 95359858 IQDZZCQPMKFQOZ-HNNXBMFYSA-N 322.416 2.755 0 50 DFAA Cc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)c2ccccc2n1 337052671 SJXWPFZZADNYDR-CYBMUJFWSA-N 312.291 2.586 0 50 DFAA CCCSCCNC(=O)[C@H]1COc2c(cccc2OC)C1 91381506 OZAVJSTZIRETCA-CYBMUJFWSA-N 309.431 2.506 0 50 DFAA COc1cc(Br)ccc1OC1CCN(C)CC1 95217825 KONHGQVAQYSRIA-UHFFFAOYSA-N 300.196 2.931 0 50 DFAA Cc1cc(NCc2cnn(C)c2C)nc(-c2ccccc2O)n1 91807123 IYWLGGJNXOKDQY-UHFFFAOYSA-N 309.373 2.812 0 50 DFAA Cn1ccnc1SCCNC(=O)C[C@@H]1CCc2ccccc21 91305977 PXHLJLMTWCIDCU-AWEZNQCLSA-N 315.442 2.749 0 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316.426 2.856 0 50 DFAA O=C(c1ccon1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275587133 HDUFHYUDKCWWAW-AWEZNQCLSA-N 317.414 2.521 0 50 DFAA CC[C@@H](Sc1ccccc1)C(=O)N1CC[C@@H](n2ccnn2)C1 585130205 KLWVILMNTQEXIC-UKRRQHHQSA-N 316.430 2.622 0 50 DFAA C[C@H](NC(=O)C1(c2ccc(C(F)(F)F)cc2)CC1)c1nc[nH]n1 187762500 FEZRCOZCNTZANT-VIFPVBQESA-N 324.306 2.733 0 50 DFAA CC(C)N(CCS(C)(=O)=O)Cc1ccc(Cl)cc1F 189132503 SYJBGENQGGWIHV-UHFFFAOYSA-N 307.818 2.734 0 50 DFAA CC[S@@](=O)CC(=O)OCc1c(C)cc(C)c(C(C)=O)c1C 225664444 PHQDONGIGHRFOC-OAQYLSRUSA-N 310.415 2.626 0 50 DFAA FC(F)(F)Oc1ccc(CN2CCOC[C@@]23CCOC3)cc1 193735222 JDZNCFKUZUJLLU-AWEZNQCLSA-N 317.307 2.577 0 50 DFAA C[C@H](C(=O)O)c1cccc(NC(=O)C[C@H](C)n2ccnc2)c1 652072941 PTDNFVCAILYROR-RYUDHWBXSA-N 301.346 2.661 0 50 DFAA COc1cccc([C@H](NC(=O)[C@@H](C)c2cccs2)C(=O)O)c1 659174558 HLOGQXJMTAPYIP-HZMBPMFUSA-N 319.382 2.802 0 50 DFAA Cc1cc(C)n(-c2ccccc2CN(C)C[C@@H]2CCN(C)C2)n1 1506428393 OSVRIZGRERUAOT-QGZVFWFLSA-N 312.461 2.873 0 50 DFAA CCCc1cc(N[C@H]2COC[C@H]2Cc2ccncc2)nc(C)n1 1704338700 XKKHLYCDCPWCJJ-WBVHZDCISA-N 312.417 2.802 0 50 DFAA C[C@@H]1CN(c2nnc(C(F)F)o2)CCN1c1ccccc1F 1615569686 KWKAFBAVIMQKEH-SECBINFHSA-N 312.295 2.861 0 50 DFAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1c(O)cccc1F 1772710791 PBHZPLBTACQMAT-GFCCVEGCSA-N 314.238 2.960 0 50 DFAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 12280923 VJVQHODMZODNGB-IUODEOHRSA-N 311.385 2.609 0 50 DFAA CCOC(=O)c1nnc2c(-c3ccccc3)c(CC)nn2c1C 12389744 BEVBOIWOLMYLLA-UHFFFAOYSA-N 310.357 2.839 0 50 DFAA COc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cc1 13692114 YANNSQSPELZMQG-UHFFFAOYSA-N 315.354 2.737 0 50 DFAA Ic1[nH]nc2cnc(-c3cccnc3)cc12 205245774 AGMOSIZAWVJPHB-UHFFFAOYSA-N 322.109 2.625 0 50 DFAA CCc1ccnc(NC(=O)c2cc3c(nc2O)CCCC3=O)c1 1875247979 RZIDWCGJILSDAF-UHFFFAOYSA-N 311.341 2.516 0 50 DFAA CN(CC1(O)CCOCC1)c1nc(C(F)F)nc2ccccc12 302522726 JERPIAGMZQLATC-UHFFFAOYSA-N 323.343 2.545 0 50 DFAA CNCCc1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 434659837 VHGSHELVXMMDGC-UHFFFAOYSA-N 305.378 2.596 0 50 DFAA C[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H](n3ccnn3)C2)C1(C)C 333341893 YFKLDDNJNZURKD-ZQIUZPCESA-N 304.438 2.904 0 50 DFAA COCc1ccsc1C(=O)N[C@@](C)(c1noc(C)n1)C1CC1 353350094 RRQACWGJOKRZBA-OAHLLOKOSA-N 321.402 2.641 0 50 DFAA CCOc1cccc2c1CC[C@@H]2NC(=O)N[C@H]1CCCC[C@H]1O 252497867 FLDFEPPZKHWMCY-HRCADAONSA-N 318.417 2.675 0 50 DFAA O=C(N=c1sccn1Cc1ccccc1F)c1ccncc1 255862973 IEDGIWHYJVIHDI-UHFFFAOYSA-N 313.357 2.873 0 50 DFAA CC[C@H]1CN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCO1 372748934 BDNVYUYZVRALIE-CABCVRRESA-N 310.438 2.689 0 50 DFAA COc1c(Cl)cccc1-c1noc(CC[C@@H]2CCC(=O)N2)n1 904184492 FNIFFYBHMVVQCU-VIFPVBQESA-N 321.764 2.610 0 50 DFAA Cn1cnc2cnc(-c3cccc(C(=O)N4CCCCC4)c3)nc21 1240063365 PONKWPLRUILLLE-UHFFFAOYSA-N 321.384 2.656 0 50 DFAA C[C@H]1CN(CC(=O)Nc2ccc(Cl)c(F)c2)Cc2c[nH]nc21 931464646 BKUVJUUIQZOTFZ-VIFPVBQESA-N 322.771 2.760 0 50 DFAA O=C(c1ccc(F)c(C(F)F)c1)N1CCC[C@@H](n2cncn2)C1 931992834 VDFYQYYUFFDIBM-LLVKDONJSA-N 324.306 2.832 0 50 DFAA O=C1CC[C@@H](NCc2cccnc2Cl)[C@H](c2ccccc2)N1 840973761 OYRMKJFNVVEVON-ZBFHGGJFSA-N 315.804 2.845 0 50 DFAA CNC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 13630606 PKBSNSUWYNMJQL-UHFFFAOYSA-N 302.761 2.881 0 50 DFAA CC1(C)[C@@H](NC(=O)C2(N)CC(C(F)F)C2)[C@@H]1c1ccccc1 2325774769 QVQZMTACHFYJGV-UDRCLVEDSA-N 308.372 2.667 0 50 DFAA Cc1cnc(Cl)cc1NC(=O)N=c1ccn(CC(F)F)[nH]1 2325781971 JRIJFEAEWPKXGX-UHFFFAOYSA-N 315.711 2.571 0 50 DFAA Cc1cnsc1CN1CCOc2c(cccc2C(=O)O)C1 2325789404 NVDSUTWCSAHCCD-UHFFFAOYSA-N 304.371 2.544 0 50 DFAA COc1ccc(OCC(=O)Nc2cc(OC)ccc2OC)cc1 39136 SXITUVALIHTDAW-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA Cc1c(OCC(N)=O)ccc2c(-c3ccccc3)cc(=O)oc12 134455 QBNICJNUNTZNOW-UHFFFAOYSA-N 309.321 2.633 0 50 DFAA biogenic O=C(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1 304540 OBAAYAIYSYWAND-UHFFFAOYSA-N 302.324 2.927 0 50 DFAA COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(C)=O 318459 UZJODYBKFGBZQE-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(N)=O 473508 AZLQVFKPWBRAML-JTQLQIEISA-N 318.760 2.845 0 50 DFAA COc1cc2c(cc1-c1ccc(C(=O)NC3CC3)cc1)OCO2 2356157674 QJZFTGPSUFTAOW-UHFFFAOYSA-N 311.337 2.983 0 50 DFAA Cc1nc2ccc(C(=O)N(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)cc2o1 2356165188 XSCFXDSDRVFRTF-NMWPEEMBSA-N 314.385 2.758 0 50 DFAA Cc1c(Cl)cccc1NC(=O)CSc1nnc(N)s1 2818191 NTLAEBRPRPEJMZ-UHFFFAOYSA-N 314.823 2.813 0 50 DFAA CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 2853698 PWBRFUAHROKMKZ-UHFFFAOYSA-N 310.419 2.600 0 50 DFAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc(C)c(C)c1)C(=O)CO2 4793279 SMFLAYIIDNKYGR-UHFFFAOYSA-N 324.380 2.976 0 50 DFAA CN(C(=O)CNC(=O)c1ccc(Cl)cc1)C1CCCCC1 4868349 IYAVMSJCMHLZSM-UHFFFAOYSA-N 308.809 2.861 0 50 DFAA COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)cc1 6742354 HPGRWBJTBAWPBQ-FBDPFYNOSA-N 303.358 2.771 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 248136085 OQVRQYHTTBJITJ-ZWKOTPCHSA-N 324.428 2.571 0 50 DFAA CCNC(=O)C[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 347282996 YUFHFSDNJKEXFY-ZDUSSCGKSA-N 316.392 2.719 0 50 DFAA CCn1ccc(CNC(=O)c2cc(-c3cccs3)on2)n1 2802482 UIZCALQMHVKETK-UHFFFAOYSA-N 302.359 2.550 0 50 DFAA O=C1C[C@@H](/C=C/c2ccccc2)Cc2[nH]c(=O)c(C(=O)O)cc21 20102321 HUNFKRYMSPSTDU-SYTKJHMZSA-N 309.321 2.532 0 50 DFAA CCN(C(=O)c1cc(COc2ccccc2OC)[nH]n1)C(C)C 67907905 AZYPACGVVKPWLA-UHFFFAOYSA-N 317.389 2.868 0 50 DFAA COc1nn(C)cc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 354716970 UXXUKQJQAQISKP-CQSZACIVSA-N 314.389 2.525 0 50 DFAA O=C(NCc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 178585829 CRUJFERLJMMYEZ-UHFFFAOYSA-N 319.424 2.986 0 50 DFAA CCOC(=O)CSc1nnc(-c2csc(CC)c2)n1C 6708679 QWPUIGKRACQWOG-UHFFFAOYSA-N 311.432 2.761 0 50 DFAA CC(C)[C@H](C)N(C(=O)CNC(=O)c1ccc(F)cc1F)C1CC1 125200168 MQWKGVASDPXWNT-NSHDSACASA-N 324.371 2.730 0 50 DFAA CC(C)CCN1C[C@]2(CCCN(c3ncccn3)C2)CCC1=O 77340996 SYBYPRQKGMSIJL-SFHVURJKSA-N 316.449 2.732 0 50 DFAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ncoc2CC)C1 77456645 HADYKGIMXIJNQX-GFCCVEGCSA-N 302.378 2.542 0 50 DFAA CCCc1nc(C)c(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)o1 329120125 PPHYIRVHIAJCPD-WFASDCNBSA-N 306.406 2.965 0 50 DFAA O=c1c2ccccc2nc(S)n1[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 124122526 HVQGCHSMDJJGAI-YUTCNCBUSA-N 314.410 2.815 0 50 DFAA COc1cnc(NC(=O)N2CCN(c3cccs3)CC2)s1 331602917 BFBMJEZQGFDNNS-UHFFFAOYSA-N 324.431 2.567 0 50 DFAA Cc1nc(CN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)oc1C 340238179 RXBASJPJAJEBAT-SWLSCSKDSA-N 308.328 2.878 0 50 DFAA O=C(NC1CCNCC1)c1cc2c(s1)-c1ccccc1CC2 262207977 WLBXMZSHVHFCAA-UHFFFAOYSA-N 312.438 2.996 0 50 DFAA CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(N)=O 30757082 BFKCKHRPHSCKHI-LBPRGKRZSA-N 312.369 2.754 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC2CCNCC2)[C@H](C)CO1 237536854 JFMQPDNJMRFPFF-QAPCUYQASA-N 316.445 2.673 0 50 DFAA O=C(NC1(C(=O)O)CCC1)[C@H]1C[C@@H]1c1c(F)cccc1Cl 237950472 SMCLDPXAWCITGK-IUCAKERBSA-N 311.740 2.706 0 50 DFAA COc1ccccc1N1CC[C@H](CNc2nnc(C(C)C)o2)C1 450296874 GGZSSYGPLJSJFS-CYBMUJFWSA-N 316.405 3.140 0 50 DFAA CN1CCCC12CCN(C(=O)c1cc3ccncc3s1)CC2 450379062 MZVJKJPLMFCCFD-UHFFFAOYSA-N 315.442 2.997 0 50 DFAA Cc1noc(C)c1C(C)(C)NC(=O)c1cc(C(C)C)n(C)n1 286333602 HYKPVUAKQMGRQQ-UHFFFAOYSA-N 304.394 2.813 0 50 DFAA CCc1ncsc1NC(=O)CSc1nnc(S)s1 132234256 BQAXYRLWBZLZKK-UHFFFAOYSA-N 318.474 2.577 0 50 DFAA CC(C)Cn1cncc1CNC(=O)c1ccc2c(c1)CCCO2 426429833 PZMCRWIYJDWQTC-UHFFFAOYSA-N 313.401 2.794 0 50 DFAA CN(C(=O)CCc1ccc(Cl)cc1Cl)[C@H]1CCNC1 179109894 GVWIGHWHHOAGOF-LBPRGKRZSA-N 301.217 2.746 0 50 DFAA CCC(CC)n1nc(C)cc1-c1nc(C(C)(C)NC(C)=O)no1 179582469 BYNAJNJJJASYTM-UHFFFAOYSA-N 319.409 2.974 0 50 DFAA CCc1ccc(CN2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)o1 96149583 WZZTZKDEDNNMMA-IEBWSBKVSA-N 313.397 2.813 0 50 DFAA CC(C)[C@@H]1C[C@H](CC(=O)N2CCC[C@H](C)[C@H]2CCO)CCO1 618018609 KJPAHYHMWSNIFD-HZMVEIRTSA-N 311.466 2.837 0 50 DFAA Cc1ncsc1CCN(C)C(=O)[C@@H]1COc2ccccc2C1 95511945 JOVSGBYGGCVIJD-AWEZNQCLSA-N 316.426 2.704 0 50 DFAA Cc1cccc([C@H](C(=O)N2CCC3(CCCO3)CC2)N(C)C)c1 91585918 QMJDXCMDSYSQTO-QGZVFWFLSA-N 316.445 2.769 0 50 DFAA Nc1nc(CCC(=O)N[C@H]2CCCc3ccccc32)cs1 97823061 IQIRXCBCYLZPEB-AWEZNQCLSA-N 301.415 2.852 0 50 DFAA Cc1c(CN2CCC3(CC2)C[C@H](O)CO3)[nH]c2ccc(F)cc12 97759401 FIIGUBHPXXKPDX-AWEZNQCLSA-N 318.392 2.731 0 50 DFAA Cc1ccc([C@@]2(C(=O)N(C)CCc3ncon3)CC2(C)C)cc1 426712025 KKIYKXKBNKPAJO-GOSISDBHSA-N 313.401 2.747 0 50 DFAA COc1cccc(CNC(=O)c2cc(CC(C)C)no2)c1OC 91494242 ZZZNBRMPZMCEKE-UHFFFAOYSA-N 318.373 2.820 0 50 DFAA CCc1nc(NCc2nc(C3CC3)n[nH]2)c2ccsc2n1 294989076 QDPAWVWKGPWJJR-UHFFFAOYSA-N 300.391 2.861 0 50 DFAA Cc1c([C@@H](C)NC(=O)CCN)cnn1-c1cccc2ccccc12 91694209 IZNUXKTYLLJOAX-CYBMUJFWSA-N 322.412 2.860 0 50 DFAA c1ccc(-c2nc([C@@H]3CCCN(CCn4ccnc4)C3)n[nH]2)cc1 181285705 PSYGSGIBKDATLG-MRXNPFEDSA-N 322.416 2.548 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1cn(C)nc1C1CCCCC1 295888710 WLRBQXUDDBDQNX-UHFFFAOYSA-N 315.421 2.989 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCc3nc(C)cn3C2)C1(C)C 248191573 LOOKUSHLMQLVHT-LZWOXQAQSA-N 301.434 2.861 0 50 DFAA C[C@@H](NC(=O)CSCC1CC1)c1nncn1C1CCCC1 244874570 XDIXGIZOZUFTFY-LLVKDONJSA-N 308.451 2.714 0 50 DFAA CC[C@H](NC(=O)c1cc(CN(CC)CC)oc1C)[C@H]1C[C@H](O)C1 243893814 AUNQYOHGTVMAOK-ZQIUZPCESA-N 322.449 2.709 0 50 DFAA N[C@H]1C[C@@H](c2nnc(CN3CCC4(CCCC4)C3)n2C2CC2)C1 252503766 VGUHEDHEDIZPSP-OKILXGFUSA-N 315.465 2.584 0 50 DFAA O=C(O)C[C@@H]1CCCN(C(=O)Cc2cccc(F)c2F)CC1 299745832 STDWSPIQJJMJHR-LLVKDONJSA-N 311.328 2.611 0 50 DFAA CCCNCC[C@@H]1CCC(=O)N1CCc1cccc(OC)c1 299772777 AQGUVRJMKSOVLF-INIZCTEOSA-N 304.434 2.618 0 50 DFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CN)O3)n1 299780248 AMJPRZOWFOIKDJ-SNVBAGLBSA-N 307.806 2.781 0 50 DFAA COCCN(Cc1nccs1)C(=O)c1c(C)cccc1OC 824400646 DTWOWXVQQHUPNZ-UHFFFAOYSA-N 320.414 2.749 0 50 DFAA CN(Cc1cc2ccccc2s1)C(=O)CCCn1cncn1 827884256 MWAVDNDZMZOVMW-UHFFFAOYSA-N 314.414 2.932 0 50 DFAA COc1cccc2ncn(Cc3ccccc3CN(C)C)c(=O)c12 584898431 IDVYOHGAHZSLSZ-UHFFFAOYSA-N 323.396 2.515 0 50 DFAA CCOc1cncc(CNc2cnn([C@H]3CCOC3)c2C)c1 952852394 IJTSTMSLGWZDEB-AWEZNQCLSA-N 302.378 2.559 0 50 DFAA O=C(N[C@@H]1C[C@H]1CF)c1csc(-c2ccc3c(c2)OCO3)n1 1875296247 MKHYQVPAJVPQFT-VHSXEESVSA-N 320.345 2.627 0 50 DFAA Cc1nnc(=NCc2ccnc(SC(C)(C)C)c2)[nH]c1C 1875262500 YFWVVXJSGXEUPG-UHFFFAOYSA-N 303.435 2.808 0 50 DFAA O=C(Nc1nc2ccccc2nc1N1CCCC1)[C@@H]1CC=CCO1 1875275754 IEYZNEHCPZOLOV-HNNXBMFYSA-N 324.384 2.514 0 50 DFAA CCN1CC[C@H](CN(CC)C(=O)c2cccc3c2CCC3=O)C1 952978367 LBFMLJBZRRWCEN-AWEZNQCLSA-N 314.429 2.619 0 50 DFAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)c1ccsc1 952989310 QKRXIGCXFDYQQZ-ZDUSSCGKSA-N 301.415 2.790 0 50 DFAA CNc1cc(N2CCC[C@@H](Oc3ccccc3OC)C2)ncn1 893841943 LVTYRYAIVVTYPK-CYBMUJFWSA-N 314.389 2.575 0 50 DFAA c1ccc(Cn2cc(NCc3cc4n(n3)CCCO4)cn2)cc1 1775990482 BFYBXXLSBJKKCK-UHFFFAOYSA-N 309.373 2.523 0 50 DFAA Cc1noc(C)c1CSCC(=O)Nc1ncc2ccccn12 1775998312 WOQRBVDEZMSXKT-UHFFFAOYSA-N 316.386 2.811 0 50 DFAA CCC[C@H]1CN(Cc2c(C)nc3ccccn23)C[C@@H]1N(C)C 1565508716 BYDQHYKLQLBCHH-RDJZCZTQSA-N 300.450 2.805 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2)[C@]12CCCO2 273656020 JJOFAOOMNPEFEV-JFIYKMOQSA-N 318.417 2.555 0 50 DFAA CCC(CC)[C@@H]1C[C@@H](Nc2ncccc2C(=O)NC)CCO1 302012435 BAVZQLVGOFGOTO-ZFWWWQNUSA-N 305.422 2.837 0 50 DFAA C[C@@H]1CCC[C@@H](CCNS(=O)(=O)N2CCCCCC2)C1 170627433 QEBPONPYJZFOPN-CABCVRRESA-N 302.484 2.913 0 50 DFAA Cc1cc(C(=O)NC[C@@H](O)c2ccccc2)nn1-c1ccccc1 170626280 RLWSTJABSKSGJC-GOSISDBHSA-N 321.380 2.644 0 50 DFAA COC(=O)c1ccc(NC(=O)NCc2cccs2)cc1OC 408515456 QVQATFXHGKPRHJ-UHFFFAOYSA-N 320.370 2.865 0 50 DFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C[C@H]3C=CCCC3)C2)n1 189639864 OMEINMROHIZUTE-DLBZAZTESA-N 316.449 2.880 0 50 DFAA CCc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)[nH]n1 192454114 MLYBFEPOCTYSKS-UHFFFAOYSA-N 311.385 2.707 0 50 DFAA O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)N[C@@H]1[C@H]2CCC[C@H]21 664774971 RRMHYJALZBNRDH-SMLCLMEVSA-N 300.402 2.657 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCCC[C@@H]1[C@H](O)C(F)(F)F 585088079 JJKGDWINWVCKGN-KOLCDFICSA-N 324.730 2.596 0 50 DFAA CCCC[C@H]1CN(c2cncc(C(=O)O)n2)C[C@@H](C(C)C)O1 1615734376 FDPZKSFRMSNXOP-JSGCOSHPSA-N 307.394 2.595 0 50 DFAA O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(Cc2ccc(O)nc2)CC1 1772704954 JJJFQGUNQGUPHB-PVAVHDDUSA-N 312.413 2.781 0 50 DFAA COCC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C 14953168 QIAUJJDLKYZTEM-HNNXBMFYSA-N 313.401 2.629 0 50 DFAA Cc1cc(C)c2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1 18190126 ZQNLHQMVYUYLMK-UHFFFAOYSA-N 309.373 2.999 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccc3F)n[nH]c21 1857527651 ZTUIXFAXJKTHKQ-ZJUUUORDSA-N 303.337 2.501 0 50 DFAA CC[C@@]12COC(=O)N1CCN(CCCOCc1ccccc1)C2 1857704849 IDSZUNFDZDTXBY-GOSISDBHSA-N 318.417 2.510 0 50 DFAA Cc1cc(C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)oc1C 328613359 RPZDQMPUEBSYOB-ZDUSSCGKSA-N 319.361 2.617 0 50 DFAA CN(CC[C@@H]1CCCCN1C)C(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 359533073 WLKKRFHPFWNWPF-WFVVYAPDSA-N 320.477 2.715 0 50 DFAA CCN1CCCN(C(=O)c2oc(-c3ccccc3)nc2C)CC1 266088070 CVSRTLYIAVNOIA-UHFFFAOYSA-N 313.401 2.818 0 50 DFAA COc1cc(F)c([C@H](C)N[C@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)cc1OC 925065295 NFORXFASNXBOSB-OIPVSZDBSA-N 321.392 2.917 0 50 DFAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C)c1nnc2n1CCC2 930483615 DTORYHHECVJYPB-SNVBAGLBSA-N 316.405 2.914 0 50 DFAA O=C(Cc1c[nH]c2cnccc12)Nc1ccc(-n2ccnc2)cc1 1261233560 XJMJKMGZBMWPKP-UHFFFAOYSA-N 317.352 2.930 0 50 DFAA CC(C)(C)OC(=O)N1C[C@@H]2CC(F)(F)CC[C@]2(C(=O)O)C1 1857783592 ZYHVYMFHWZQITD-ZANVPECISA-N 305.321 2.744 0 50 DFAA Cn1nc(-c2cc(CN)cc(C(F)(F)F)c2)nc1C(F)(F)F 2100482989 KQKLVTVQIFTAEB-UHFFFAOYSA-N 324.228 2.978 0 50 DFAA CC(=O)c1ccc(OC[C@@H](O)CSc2ccccn2)cc1 11692567 NKJUHJLRKSNMAM-CQSZACIVSA-N 303.383 2.816 0 50 DFAA Cc1ccc(OCC(F)(F)F)c(NC(=O)N=c2cc[nH][nH]2)c1 2325744562 NQJGKZDRJPZYCA-UHFFFAOYSA-N 314.267 2.725 0 50 DFAA O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1cn[nH]c1 2325760665 NIXGRPOALBNUPO-KRWDZBQOSA-N 306.369 2.864 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@]3(F)CCO[C@H]3C)cc2)c1C 2325767749 PKDOLMROAIZXII-SUMWQHHRSA-N 317.364 2.945 0 50 DFAA C[C@@]12CC[C@H](O)[C@@H](C1)N(C(=O)NC[C@@H]1CCC[C@H]1C1CC1)C2 2325794641 LFDDBAZGLWEVPR-RNGZQALNSA-N 306.450 2.758 0 50 DFAA CC(C)N(C(=O)c1ccc(OC(F)F)nc1)C1CCOCC1 903532601 YYVJCDCGOZGJQQ-UHFFFAOYSA-N 314.332 2.713 0 50 DFAA CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 25958 HMABYWSNWIZPAG-UHFFFAOYSA-N 323.371 2.979 0 50 DFAA fda O=C(Cc1cccs1)Nc1ccc(N2CCOCC2)cc1 121523 FQYUANLVMMNZNT-UHFFFAOYSA-N 302.399 2.766 0 50 DFAA Cc1sc2ncn(Cc3ccc(C(=O)O)cc3)c(=O)c2c1C 131676 IPJIDOFJDUBNMA-UHFFFAOYSA-N 314.366 2.821 0 50 DFAA COC(=O)c1nn(-c2ccccc2)c(=O)cc1Oc1ccccc1 168540 BMVRSQWARJTUGW-UHFFFAOYSA-N 322.320 2.811 0 50 DFAA CC(C)CC1=NN(C(=O)c2ccncc2)[C@@](O)(C(F)(F)F)C1 356260 ZBGBOCNSIIODOZ-ZDUSSCGKSA-N 315.295 2.581 0 50 DFAA Cc1cc(Cl)cc(Cl)c1OCCOCCN(C)CCO 2975002 YHIWRLYAPWWDLF-UHFFFAOYSA-N 322.232 2.621 0 50 DFAA Cc1cc(NC(=O)COCc2cc(-c3cccs3)on2)no1 6876494 XRZGBTGJJNYYKK-UHFFFAOYSA-N 319.342 2.855 0 50 DFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cccc(F)c1 10366842 ZUVKEXIRCRWMND-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA COc1cc(CNC(=O)c2ccccc2)cc(OC)c1OC 8361451 JERXOWDMOSBAJU-UHFFFAOYSA-N 301.342 2.642 0 50 DFAA CN(C)C(=O)Cn1ccc(-c2cccc(-c3ccccn3)c2)n1 23428999 VQNRBRKDZWPKEF-UHFFFAOYSA-N 306.369 2.700 0 50 DFAA CON1CCC(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 422044334 PHGXSWHSDOWIOH-UHFFFAOYSA-N 320.286 2.600 0 50 DFAA O=C(Cc1cnc2ccccc2c1)NCC(=O)Nc1ccccc1 118776610 NDPSEQRIAWKXFO-UHFFFAOYSA-N 319.364 2.532 0 50 DFAA O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[C@@H]1C[C@H]2CC[C@H]1O2 252477959 YOLZBGMKXFJFJD-GOQLFZIVSA-N 312.413 2.510 0 50 DFAA CNC(=O)COc1ccccc1-c1ccc(-n2cccn2)cc1 67641165 BKSKKDAPXOFNAN-UHFFFAOYSA-N 307.353 2.664 0 50 DFAA O=C([C@@H]1CCc2[nH]nnc2C1)N1CCCCC[C@H]1c1ccco1 282982827 HCOMMQUFXSGNAF-DOMZBBRYSA-N 314.389 2.647 0 50 DFAA COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OC 136400 LPMQCBIQYLTZFQ-OPQOLIRYSA-N 322.360 2.856 0 50 DFAA biogenic CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl 134296 LRFKDDOSDAPLCS-CYBMUJFWSA-N 308.765 2.873 0 50 DFAA COc1cccc(NC(=O)N[C@@H]2CCCc3nn(C)cc32)c1 283082674 VTOJJMQVGRZHPR-CQSZACIVSA-N 300.362 2.628 0 50 DFAA COC(C)(C)C[C@@H](C)NC1CCN(C(=O)c2ccco2)CC1 65465864 PVHMEKLUVTZPST-CYBMUJFWSA-N 308.422 2.677 0 50 DFAA O=C(O)c1ccc(CN2C(=O)COc3ccc(Cl)cc32)cc1 2562248 XZEKTECZBYSXHX-UHFFFAOYSA-N 317.728 2.964 0 50 DFAA CCn1nccc1[C@@H](C)NC(=O)c1noc2c1C[C@@H](C)CC2 2804232 XCMMUZAPEXVHIN-WDEREUQCSA-N 302.378 2.507 0 50 DFAA O=C([C@H]1C[C@@H]1c1cccc(O)c1)N1CCO[C@@H]2CCCC[C@@H]21 253428005 FZROGWXMTLPSHE-LTIDMASMSA-N 301.386 2.666 0 50 DFAA CN(C(=O)c1ccnc2c1nnn2C)[C@H]1CCC[C@@H]1C(C)(C)C 333101757 CJRBVCMCFHLQBN-STQMWFEESA-N 315.421 2.650 0 50 DFAA Cc1cc(C)c2[nH]c(=O)c(CN(C)CCn3ccnc3C)cc2c1 215617857 APJJDSVFEWMQKP-UHFFFAOYSA-N 324.428 2.782 0 50 DFAA CCOCCNC(=O)CN1C[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 374767836 OZNJMENPPNIDQF-IEZWGBDMSA-N 316.445 2.612 0 50 DFAA COc1ccc(/C=C/CN2CCN(c3cccnc3)CC2)cc1 77456502 LVFRTEGPIWHUQA-ONEGZZNKSA-N 309.413 2.926 0 50 DFAA Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(O)c2F)c1 155530356 AZFFEIYBABIWNA-UHFFFAOYSA-N 316.332 2.517 0 50 DFAA Cc1nc(CC(=O)N2CCC(c3ccccn3)CC2)cs1 378260384 PLNSYEUANPFADT-UHFFFAOYSA-N 301.415 2.795 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 237615182 ABQSWNCUVLGTNN-QPUJVOFHSA-N 304.287 2.796 0 50 DFAA CC[C@H](NC(=O)CCc1cccc(OC)c1)c1ccnn1C 219906702 ZARGQUVSOILHCI-HNNXBMFYSA-N 301.390 2.629 0 50 DFAA COCC[C@H]1CCCCN(C(=O)c2ccc3nc(O)[nH]c3c2)C1 368769494 ZZLYISIDMVNJKE-GFCCVEGCSA-N 317.389 2.547 0 50 DFAA COc1cccc([C@H]2CCN(C(=O)CCSC)C2)c1OC 219233986 RFEYJOAQCHBFGN-LBPRGKRZSA-N 309.431 2.773 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 262018030 XHKNGGDBJHXWNV-QMMMGPOBSA-N 318.251 2.524 0 50 DFAA NCc1ccc(-c2noc(-c3cc4c(s3)CCOC4)n2)cc1 262112514 WRSJXIIVBAGLLP-UHFFFAOYSA-N 313.382 2.997 0 50 DFAA CC[C@@](CNC(=O)c1coc(C)c1)(C(=O)O)c1ccccc1 263014690 NYCIMMFYHPZFPE-KRWDZBQOSA-N 301.342 2.750 0 50 DFAA CC[C@H](C(=O)O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 262369756 JTYFXWSGULTKKQ-IEBWSBKVSA-N 316.445 2.838 0 50 DFAA C[C@@H](CCN1CCN(CC(C)(C)O)[C@H](C)C1)c1ccccc1 239667599 BQORAQGVSHAFDX-DLBZAZTESA-N 304.478 2.957 0 50 DFAA O=C(N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)O)c1ccco1 262860219 AIJQZIHVSMMXQA-HIFRSBDPSA-N 313.353 2.973 0 50 DFAA CC(C)c1nc(CN(C)C(=O)CCc2cc(O)no2)cs1 77471785 UBSFJXZABLSLRO-UHFFFAOYSA-N 309.391 2.551 0 50 DFAA CN(Cc1cnc(N(C)C)nc1)Cc1cc(-c2ccccc2)on1 215922676 AZHHSMBYXIIGJA-UHFFFAOYSA-N 323.400 2.830 0 50 DFAA O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(C2CC2)on1 176124101 OSGMPAMXVHQRDV-TZMCWYRMSA-N 302.374 2.916 0 50 DFAA CC[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1c(C)noc1C 263361360 UJDIUHDZSPSHGQ-CQSZACIVSA-N 316.357 2.800 0 50 DFAA O=C(c1ncoc1C1CC1)N1CCCC[C@@H]1CCn1cccn1 82160581 NAIUTIQRNJRGFI-CQSZACIVSA-N 314.389 2.834 0 50 DFAA O=C(Cc1cccnc1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 179093835 SJLCXRVROVNWMG-WMZOPIPTSA-N 310.397 2.908 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)CCN(C)C2CCCC2)n(C)n1 82108760 SIZGGNVDMYRBIU-UHFFFAOYSA-N 320.481 2.565 0 50 DFAA Cc1cccc(N2C[C@@H](C)N(C(=O)C3CCCC3)CC2=O)c1 82096179 ACKYVBYFUADQKC-CQSZACIVSA-N 300.402 2.749 0 50 DFAA CCNC(=O)c1cccc(NC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 96166440 KEODUZMSRYLKMI-IPYPFGDCSA-N 313.401 2.770 0 50 DFAA CSCCCNC(=O)N(C)[C@@H](CN(C)C)c1ccccc1 426358581 PQAMZWSZGIJMFV-HNNXBMFYSA-N 309.479 2.684 0 50 DFAA COc1cc(CN(C(=O)[C@@H](C)OC(C)C)C2CC2)ccc1O 97744921 LDABWMIVTWKEBD-GFCCVEGCSA-N 307.390 2.705 0 50 DFAA Cc1nc(-c2ccc(-c3cc[nH]n3)cc2)n(C2CCN(C)CC2)n1 96139465 ROFCRYYWKSOKHZ-UHFFFAOYSA-N 322.416 2.910 0 50 DFAA COc1c(F)cc(F)cc1-c1ccccc1O[C@H](C)C(N)=O 96136085 QGNZIPDRDIPJNU-SECBINFHSA-N 307.296 2.893 0 50 DFAA O=C(O)[C@@H]1CN(Cc2c(Cl)cncc2Cl)C[C@H]1C1CC1 92077547 VQUFJOBWGYNKDE-VHSXEESVSA-N 315.200 2.931 0 50 DFAA CCN(CC)[C@@H]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 97578820 ZKVSKZRNVDWGCI-CQSZACIVSA-N 312.417 2.633 0 50 DFAA CCc1n[nH]cc1C(=O)NCCSCc1ccccc1C 97785394 HRRZDESTHNNNSR-UHFFFAOYSA-N 303.431 2.944 0 50 DFAA COc1ccc2c(=O)n(C[C@@H]3CCCCO3)ccc2c1OC 95375789 PXPWDSQDVONCNZ-LBPRGKRZSA-N 303.358 2.588 0 50 DFAA Cc1nc2cc(C(=O)N(C)CCN(C)C3CCCC3)ccc2[nH]1 97575053 CJOICOYIJBEJFD-UHFFFAOYSA-N 314.433 2.818 0 50 DFAA CCc1nccn1CCN(C)Cc1nc2ccc(F)cc2[nH]1 244787949 QGWUSHUAPNYDAZ-UHFFFAOYSA-N 301.369 2.593 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)N2Cc3ccccc3C3(CC3)C2)n[nH]1 184948935 IHKWVRCMXMSYKB-CYBMUJFWSA-N 324.428 2.906 0 50 DFAA O=C1CC[C@@H](NCC2(c3ccccc3F)CCCC2)CCN1 534581853 COCRNCLMKTZWOM-CQSZACIVSA-N 304.409 2.896 0 50 DFAA Nc1c([N+](=O)[O-])cc(Br)c(F)c1[C@@H]1CCCO1 143012609 XKKAUGJSYBOLGO-ZETCQYMHSA-N 305.103 2.930 0 50 DFAA COc1ccc(NC(=O)N(C)CCCc2cnn(C)c2)c(C)c1 299774967 JJGHTAIFSRLJDI-UHFFFAOYSA-N 316.405 2.834 0 50 DFAA Cc1csc(CCCNC(=O)CCc2c(C)noc2C)n1 299773681 FECYVWDDKRLHLI-UHFFFAOYSA-N 307.419 2.738 0 50 DFAA C[C@@H](Cn1ccnc1)NCC1(c2ccccc2)CCN(C)CC1 584904058 ZOHJHGDKICFXMO-KRWDZBQOSA-N 312.461 2.525 0 50 DFAA Cc1nccn1CCNC1CCN(c2ccc(F)c(F)c2)CC1 584899072 RGHOPVBEPGSIDI-UHFFFAOYSA-N 320.387 2.728 0 50 DFAA Cc1cc(C)nc(CN(C)C(=O)[C@@H](C)N2CCCCCC2)c1 584889357 GJOALEZIXPFNRH-MRXNPFEDSA-N 303.450 2.921 0 50 DFAA COc1cc(C)c(CN2CCC[C@@H](CCC(=O)O)C2)c(C)n1 871621930 SPONMHXHLOZBKZ-AWEZNQCLSA-N 306.406 2.784 0 50 DFAA C[C@@H]1CCCN1C(=O)Nc1ccccc1C(=O)N=S(C)(C)=O 952877344 OGEQKQONXARJQO-LLVKDONJSA-N 323.418 2.571 0 50 DFAA CCCCC(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952882771 KOWCDFBWCZRDGR-SNVBAGLBSA-N 318.343 2.551 0 50 DFAA COC1(c2nccn2C)CCN(Cc2ccncc2Cl)CC1 952991961 GCYPFFMEMGWBGI-UHFFFAOYSA-N 320.824 2.606 0 50 DFAA Cc1nccc(C[C@@H]2CC[C@H](CN3C[C@H]4CC=CC[C@H]4C3)O2)n1 952854472 HWJNZOBZZFYTHF-OGWHTMIXSA-N 313.445 2.773 0 50 DFAA COCCn1ccnc1CNC[C@@]1(c2ccccc2)CC1(C)C 952975971 DJMCBZZNGSSCPS-LJQANCHMSA-N 313.445 2.987 0 50 DFAA COc1c(Cl)cccc1CNc1nc(C)nc2c1cnn2C 896791596 RYUQJTIWANKHIK-UHFFFAOYSA-N 317.780 2.946 0 50 DFAA CN(CCN1C[C@@H]2CC[C@H]1C2)Cc1ccc(-n2cccn2)cc1 1565505963 NPEMMOZNCTVTEM-MJGOQNOKSA-N 310.445 2.788 0 50 DFAA Cc1cc(Cl)cc(C(=O)N2CCC(Cn3cncn3)CC2)c1 275150878 WJVQGAIBUWGGFC-UHFFFAOYSA-N 318.808 2.792 0 50 DFAA CCOC(=O)[C@H](Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 172167376 PWASSVZWAWOCGE-QGZVFWFLSA-N 310.353 2.898 0 50 DFAA Cc1csc2c(N3CCc4nc(N)sc4C3)ncnc12 225455370 LUEQTEWDMNNFHG-UHFFFAOYSA-N 303.416 2.601 0 50 DFAA Cc1coc(C)c1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643887597 UHAKWHXGQUDZPL-AWEZNQCLSA-N 314.389 2.730 0 50 DFAA Cc1nnsc1C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 191501685 VJERMWFBPFLLEU-QWRGUYRKSA-N 323.443 2.636 0 50 DFAA Cc1cc(-n2ccnc2)ccc1CN1CCC[C@@H](n2cncn2)C1 192009620 UHMDKXRLUKDWCV-GOSISDBHSA-N 322.416 2.609 0 50 DFAA C[C@@H](C[S@](C)=O)NC(=O)Nc1scnc1-c1ccccc1 193985635 ZVEAOTQGKHDOMU-CWKPULSASA-N 323.443 2.699 0 50 DFAA O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@@H](O)CC1 655755853 UMGQATDRIIJNPL-GDBMZVCRSA-N 306.381 2.760 0 50 DFAA C[C@H](CC1CCCC1)C(=O)Nc1cnn(Cc2cnn(C)c2)c1 585089543 WFBDUTZZTQOYSH-CYBMUJFWSA-N 315.421 2.820 0 50 DFAA CCc1nc(OC)ccc1NC(=O)c1cnc2n1CCCCC2 1615617814 LOBCNRCHZNDOMS-UHFFFAOYSA-N 314.389 2.828 0 50 DFAA CN(C)Cc1nnc(N(C)CCCOc2ccc(Cl)cc2)o1 1772712321 OMJAQVQRPCELAC-UHFFFAOYSA-N 324.812 2.690 0 50 DFAA CCC[C@H]1COCCN1c1nnc(CSc2ccncc2)o1 1772710600 YHIVHRIYRZVWTM-LBPRGKRZSA-N 320.418 2.762 0 50 DFAA C[C@@H]1CCN(C(=O)CSc2nnc(S)s2)C[C@@H](C)C1 163411618 GOTXEWYGSASIAB-BDAKNGLRSA-N 317.505 2.814 0 50 DFAA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1 18093967 KDRIURZVJMYZNJ-UHFFFAOYSA-N 311.366 2.654 0 50 DFAA biogenic,in-vitro CCOC(=O)c1cccnc1N[C@H]1CCCc2c1c(C)nn2C 1857687134 OBFQHJZZQZGIHI-ZDUSSCGKSA-N 314.389 2.790 0 50 DFAA CCCC[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H](C(C)C)O1 1857720476 WEEBNDPSOYBYAD-HZPDHXFCSA-N 307.438 2.634 0 50 DFAA O=C(Cc1coc2cc(Cl)ccc12)N[C@H](CC1CC1)C(=O)O 630159543 NJODZYRDDKIYIO-CYBMUJFWSA-N 321.760 2.998 0 50 DFAA Cc1c(C(=O)N2C[C@@H](F)C[C@@H]2CO)[nH]c2c(Cl)cccc12 331430934 GFEPSUUSADSVOE-VHSXEESVSA-N 310.756 2.675 0 50 DFAA COCc1ccc([C@H]2CCCN2C(=O)c2ncc(C)cc2O)o1 331854249 RULQZFJYFLMFBO-CYBMUJFWSA-N 316.357 2.812 0 50 DFAA NC[C@H]1CC[C@H](NC(=O)N2CCc3cc(Cl)ccc3C2)C1 332115078 CPJJETMPCVGDON-NHYWBVRUSA-N 307.825 2.535 0 50 DFAA N[C@@H]1CC[C@@H]2CN(c3noc4ccc(Br)cc34)C[C@H]21 333918503 OHKJMOKMGFZBQV-GGZOMVNGSA-N 322.206 2.764 0 50 DFAA C[C@H](CN(C)c1cnc(Br)cn1)c1nccs1 856740833 SSLINGAGXSGSJY-MRVPVSSYSA-N 313.224 2.936 0 50 DFAA O[C@@H](CN[C@@H]1CCCC[C@H]1O)c1ccc(Cl)c(Cl)c1 853117254 RWUWXJIHKGKSFY-MCIONIFRSA-N 304.217 2.920 0 50 DFAA Cc1cnc(C)c(N2CCC[C@@]3(CCc4cnc(C)nc43)C2)n1 1704336836 RVDUBIOTIAQWIS-GOSISDBHSA-N 309.417 2.676 0 50 DFAA O=C(O)CCN(C(=O)c1ccc2c(c1)CCCCC2=O)C1CC1 908873432 BUZRBKUSDKDRTA-UHFFFAOYSA-N 315.369 2.675 0 50 DFAA CC(C)=CCCc1nc(C2CCCC2)nn1-c1ncnn1C 2100544589 AFDIXZQQYIKWQS-UHFFFAOYSA-N 300.410 2.952 0 50 DFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)NC[C@]12CCCN[C@@H]1C2 2325768859 YXKBXUSTWLVGCM-ZMSDIMECSA-N 320.820 2.560 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CC4(CCC4)CN3)cc2)c1C 2325795634 QPGXSQHXDPDECC-QGZVFWFLSA-N 324.428 2.960 0 50 DFAA Cc1cc2ccccc2c(N2CCC[C@@]3(CC2)CNC(=O)N3)n1 2325802382 DPBJUZJZNMBJAC-GOSISDBHSA-N 310.401 2.585 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3O)cc2)c1C 2325804347 HQHJFSZMDUGIAY-SJORKVTESA-N 313.401 2.979 0 50 DFAA Cc1cccnc1-c1cn(Cc2cccc(CN(C)C)c2)nn1 2325809243 USXDZYMTISXBNH-UHFFFAOYSA-N 307.401 2.758 0 50 DFAA Cc1nc([C@@H]2CCN(Cc3c(Cl)cccc3C(=O)O)C2)no1 903626949 KEBGJRJBKAWFCU-SNVBAGLBSA-N 321.764 2.719 0 50 DFAA Cc1ccc(N2C(=O)C[C@@H](Sc3nccc(C)n3)C2=O)cc1 75704 UNIQIXPIYCSQFE-CYBMUJFWSA-N 313.382 2.518 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)c(F)c1F 2356158704 VYXIFIZUHFSBJC-QGZVFWFLSA-N 322.355 2.500 0 50 DFAA COc1ccc(Br)cc1CNC[C@@H]1CCCO1 4657489 JAKNJEMACZOSJY-LBPRGKRZSA-N 300.196 2.726 0 50 DFAA CC(C)CC(=O)Nc1ccc(I)cn1 4840970 ADBDDGXYKHUQIG-UHFFFAOYSA-N 304.131 2.671 0 50 DFAA COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)cc1 6742357 HPGRWBJTBAWPBQ-RLNQVHQUSA-N 303.358 2.771 0 50 DFAA CCOC(=O)c1n[nH]c(Nc2ccccc2)c1C(=O)OCC 6750547 INUOGYALSXHYES-UHFFFAOYSA-N 303.318 2.507 0 50 DFAA Cc1ccccc1-n1nccc1NC(=O)Cc1c(C)noc1C 113138938 ASLAQAKTUZLXPQ-UHFFFAOYSA-N 310.357 2.967 0 50 DFAA CCc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)o1 20600981 ODBIHBRLWPCAOV-INIZCTEOSA-N 308.466 2.757 0 50 DFAA C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC(C)(C)C1 421618648 XAQSUZLIMCQUGR-KBUPBQIOSA-N 308.466 2.857 0 50 DFAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)[C@@H](O)C2CCCCC2)C1 249850592 PJCYAUDMOGSQPR-XYPHTWIQSA-N 302.418 2.932 0 50 DFAA CC(=O)NCc1nc(-c2ccccc2)nn1-c1cccc(C)c1 63847110 BSMBURDPPRCCDJ-UHFFFAOYSA-N 306.369 2.879 0 50 DFAA O=C(C[C@@H]1CCCNCC1)N1CCC(c2ccncc2)CC1 423712408 OHVUVGFSIZRKIM-OAHLLOKOSA-N 301.434 2.567 0 50 DFAA C[C@H](CC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)n1cccc1 252486282 HRNFTCLOPRCMGS-BARDWOONSA-N 304.390 2.684 0 50 DFAA CC(C)N1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 252585749 KUBFXYBUNCITKH-QRIFCXAISA-N 319.493 2.983 0 50 DFAA Cc1nc2cc(C(=O)N(Cc3noc(C)n3)C(C)C)ccc2[nH]1 67805421 QKUGKMNIEXMENF-UHFFFAOYSA-N 313.361 2.614 0 50 DFAA O=C(Nc1nc(C2CCC2)cs1)N1CCC2(CC1)OCCO2 283094320 VXTBDTWIKMNKEI-UHFFFAOYSA-N 323.418 2.781 0 50 DFAA O=C(O)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 253370412 QLODXDGFKAVEAY-AVGNSLFASA-N 323.339 2.924 0 50 DFAA CN(CCC1(O)CCCC1)C(=O)[C@@H](O)c1cccc(Cl)c1 219327106 VZACUPKEWAEDGI-AWEZNQCLSA-N 311.809 2.527 0 50 DFAA CN1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 71873562 LSVUAJQDVOUKLX-UHFFFAOYSA-N 324.144 2.615 0 50 DFAA CCOc1ccc(NC(=O)CNC(=O)C2=CCCCC2)cc1 126820831 CFRUJJOSURWNQJ-UHFFFAOYSA-N 302.374 2.640 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 156450691 VBANRYOBOFSYGZ-ZFWWWQNUSA-N 319.424 2.625 0 50 DFAA O=C([C@@H]1C[C@]12CCNC2)N1CCC(Cc2cccc(F)c2)CC1 444156957 NEIGWXSMFFJVSA-HKUYNNGSSA-N 316.420 2.606 0 50 DFAA Cc1noc(-c2ccc(N3CCC4(CCCO4)CC3)nc2)n1 71759091 PUYCVHRKIFNNTG-UHFFFAOYSA-N 300.362 2.589 0 50 DFAA CCc1ncnc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1F 343242395 YWBHBONTSPITLA-YGRLFVJLSA-N 323.318 2.769 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)CCCOc2ccccc2F)C1 237463514 XWORCGSODFJBBN-UONOGXRCSA-N 308.397 2.571 0 50 DFAA Cc1nc2ccnn2cc1C(=O)N1CCCc2ccccc2CC1 333965573 QBTKYQSQDNYSJW-UHFFFAOYSA-N 320.396 2.669 0 50 DFAA Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1CCCC12CCOCC2 374467645 BFYHWJPXQPDOAB-BLLLJJGKSA-N 319.449 2.671 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1CCC(OC[C@@H]2CCCO2)CC1 375071357 SWFUAGPZWOYCAW-HNNXBMFYSA-N 318.417 2.692 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 237776307 HATMRSCCFRSDPA-INIZCTEOSA-N 311.328 2.611 0 50 DFAA O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1 238052516 NYZCTXRIVONBDF-NXEZZACHSA-N 316.279 2.631 0 50 DFAA CN(C)Cc1ccccc1CN(C)Cc1ccc(N(C)C)nc1 216085982 CMIMBLRHEMPKKM-UHFFFAOYSA-N 312.461 2.841 0 50 DFAA CCn1ccnc1[C@H](C)NC(=O)c1cccc(Cn2ccnc2)c1 456339311 BZRYWQOVOOHPJE-AWEZNQCLSA-N 323.400 2.639 0 50 DFAA CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(N)ccn1 198202669 UNSKMZXAUNJSHN-UHFFFAOYSA-N 323.400 2.553 0 50 DFAA OCCN1CCN(Cc2ccc(SC3CCCCC3)o2)CC1 222284109 OFMDTOAAKSHYAV-UHFFFAOYSA-N 324.490 2.814 0 50 DFAA C[C@H](O)c1cc2n(n1)CCCN(Cc1ccc3ccccc3n1)C2 221414399 WDLUBQRYKRPROX-AWEZNQCLSA-N 322.412 2.891 0 50 DFAA Cc1nn(C)cc1[C@@H](C)NC(=O)c1nc2ccccc2s1 179634782 INAGGXRWPVKSTA-SECBINFHSA-N 300.387 2.829 0 50 DFAA Cc1nnc(CNC(=O)C2(N3CCCCC3)CCCCC2)s1 426399069 RAEJJIBNRQUOOC-UHFFFAOYSA-N 322.478 2.652 0 50 DFAA Cc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 239310480 IMDFZIJZZVRMEW-VLVIQNCWSA-N 301.386 2.919 0 50 DFAA COC(=O)[C@@H]1CCCN(Cc2cc(Br)cs2)C1 96639734 GFLBGPGVKUHLJC-SECBINFHSA-N 318.236 2.896 0 50 DFAA CN(Cc1ccno1)C(=O)CN1CCC[C@@H](c2ccccc2)C1 91325657 IFIJPTUWTZLLJN-MRXNPFEDSA-N 313.401 2.513 0 50 DFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2oc(CC)nc2C)C1 91519023 WSPMUYFAFWFMBD-MRXNPFEDSA-N 308.378 2.653 0 50 DFAA O=C(O)[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2)C1 236438239 PWZDBKLVIOXZCU-RKDXNWHRSA-N 312.163 2.889 0 50 DFAA CCOCc1nnc(NCc2cnn(-c3ccc(F)cc3)c2)o1 181849990 NRIRJLPSJHYYMC-UHFFFAOYSA-N 317.324 2.543 0 50 DFAA CCN(Cc1noc(C2CCC2)n1)Cc1nnc(C2CC2)o1 244794564 QOZITXLXLGXFCW-UHFFFAOYSA-N 303.366 2.620 0 50 DFAA CCC(=O)N1CC[C@@H](NC2CC(Sc3ccccc3)C2)C1 864085908 CFZGMCRDDHPZHS-VQCLRJIVSA-N 304.459 2.910 0 50 DFAA Cc1ccc(CN2C(=O)CC[C@H]2CCNCc2cccnc2)o1 299797588 BLNPPQWVKPRZND-INIZCTEOSA-N 313.401 2.654 0 50 DFAA CC(C)(C)OC(=O)Nc1cnc2c(Br)cnn2c1 498047627 JZAMWIGTKKDBCE-UHFFFAOYSA-N 313.155 2.839 0 50 DFAA C=CC(=O)N[C@H](CC)C(=O)N[C@@H](C)c1ccc(Cl)s1 1875371355 YBGSIHCKFWGDKV-DTWKUNHWSA-N 300.811 2.660 0 50 DFAA O=C(Cc1cccc2cnccc12)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 888100473 QPCOLZHMVUSIHW-YOWGUQMCSA-N 302.324 2.937 0 50 DFAA O=C(c1snc(O)c1Cl)N1CCCC[C@@H]1c1ncccn1 1363378337 UKBIEXHBNWEOSM-MRVPVSSYSA-N 324.793 2.660 0 50 DFAA Cc1nc(/C=C\C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cs1 584906967 SNEYHODWWIAXOM-JZJUMDQFSA-N 320.414 2.709 0 50 DFAA O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccnc(O)c1 280511073 IJEWMTUIBFQRLC-DOMZBBRYSA-N 300.333 2.992 0 50 DFAA CCc1cc(NC(=O)c2cc(NC(C)=O)ccc2C)n(C)n1 187057479 JYNFVDJDVMCKSP-UHFFFAOYSA-N 300.362 2.502 0 50 DFAA O=C(NC[C@H]1CC[C@@H](O)C1)N[C@H]1C[C@H](c2cccc(F)c2)C1 281600509 RKGDNBUTCIFCOW-DLKVLKDVSA-N 306.381 2.532 0 50 DFAA c1ccc(N[C@@H]2CCN(c3cc(N4CCCC4)ncn3)C2)cc1 302883112 JHFBTSPQNCTKFP-MRXNPFEDSA-N 309.417 2.768 0 50 DFAA CC1(C)CNCC[C@H]1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C 638263202 QTNKDIMHWBYXPX-OAGGEKHMSA-N 300.446 2.931 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 220184169 GGGZURSJSHCUIV-GAFUQQFSSA-N 310.781 2.536 0 50 DFAA Cc1nn(CC(=O)Nc2cc(C(=O)O)cs2)c(C)c1Cl 191382015 BTZPGLNNPDHUKL-UHFFFAOYSA-N 313.766 2.552 0 50 DFAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1cccnc1)C1CC1 195317900 QXOIHOUJSOQEFG-UHFFFAOYSA-N 322.412 2.882 0 50 DFAA COc1ncc(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)cn1 760069374 RGXSKGMQTHLQRN-OAHLLOKOSA-N 315.348 2.814 0 50 DFAA Cn1cnc2ccc(-n3ccnc3-c3ccc(CCN)cc3)cc21 1800413454 HXOPNTWKYLPAKM-UHFFFAOYSA-N 317.396 2.927 0 50 DFAA COc1cccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)c1 1772805885 VCPVIZDMIZXUSO-UHFFFAOYSA-N 312.413 2.774 0 50 DFAA O=C(CCc1nc(-c2cccs2)no1)Nc1nccs1 14240785 ZORUIYIEGXUVPX-UHFFFAOYSA-N 306.372 2.826 0 50 DFAA O=C(CCN1CCCCO1)N1CCO[C@H](CC2CCCCC2)C1 15065156 DOSXHWAYRSTVKT-QGZVFWFLSA-N 324.465 2.602 0 50 DFAA CN(Cc1ccccc1)c1ncccc1CNC1CCOCC1 15066521 YEDQMFNYUYPSEL-UHFFFAOYSA-N 311.429 2.987 0 50 DFAA O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc[nH]2)n[nH]1 169773431 QJJZZZYIAISZCD-UHFFFAOYSA-N 300.749 2.988 0 50 DFAA Cc1nn(CCC(N)=O)c(C)c1-c1cnc2cc(F)ccc2c1 1875248805 PFLDYVRQVCIQIL-UHFFFAOYSA-N 312.348 2.730 0 50 DFAA Cc1noc([C@@H]2CC[C@H](CNCc3cccc4cc[nH]c34)O2)n1 328634559 UEDJMQIXUQGNTF-CABCVRRESA-N 312.373 2.869 0 50 DFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 124271376 BLFJHWSTWSHFOW-MNOVXSKESA-N 308.403 2.674 0 50 DFAA Cc1nc(C[C@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)no1 331725000 MANCCRCFNPPTPY-LLVKDONJSA-N 320.780 2.521 0 50 DFAA C[C@@H]1CCN(C(=O)c2csc(CN)n2)[C@@H]1c1cccc(F)c1 237376404 DDVQZPOQKQIVNG-BMIGLBTASA-N 319.405 2.964 0 50 DFAA CC(C)[C@@H]1CCCN(C(=O)c2ccc3nc(O)n(C)c3c2)C1 353829690 UJQAAJRJIPXALW-CYBMUJFWSA-N 301.390 2.787 0 50 DFAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C(N)=O)c[nH]2)cc1C 377979303 RVXRHKRLLJWMCV-INIZCTEOSA-N 311.385 2.708 0 50 DFAA OC[C@@H]1CCCN(Cc2cnc(C3CC3)o2)[C@@H]1C(F)(F)F 585124026 JZEAFIWUBMVZBQ-JQWIXIFHSA-N 304.312 2.687 0 50 DFAA Cc1conc1C(=O)N1C[C@H](CCC(=O)O)Cc2ccccc21 902820028 MXAAISFKEZJDQK-GFCCVEGCSA-N 314.341 2.667 0 50 DFAA Cc1[nH]c2ccc(NC(=O)c3csc(CCN)n3)cc2c1C 2325775088 ZLXKLELGAYRZMK-UHFFFAOYSA-N 314.414 2.995 0 50 DFAA COC12CCC(C(=O)N3[C@H]4CCC[C@@H](O)[C@H]3CC4)(CC1)CC2 2325781939 FQVOUWWEYGAPMT-WBLNKCRKSA-N 307.434 2.630 0 50 DFAA Cc1cc(S(=O)(=O)N2CCC[C@@]3(CC=CCC3)C2)ccn1 2325782709 YEXOSHQMQJEFHS-INIZCTEOSA-N 306.431 2.901 0 50 DFAA CCc1cc(=NC(=O)c2oc(CN)cc2C)c2ccccc2[nH]1 2325856212 GDAAYURBCAAJJO-UHFFFAOYSA-N 309.369 2.832 0 50 DFAA NCc1ccc(NC(=O)c2c[nH]nc2-c2cccs2)cc1F 2325856988 LGIGWRLLLMOZMA-UHFFFAOYSA-N 316.361 2.988 0 50 DFAA Cc1ccnc(C(=O)Nc2ccc3n[nH]cc3c2Cl)c1N 2325861723 YXGZPFABIYWBLH-UHFFFAOYSA-N 301.737 2.754 0 50 DFAA COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 129852 RMYSGGBJOJXDCH-VXGBXAGGSA-N 307.346 2.533 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](Sc3ncccn3)C2=O)cc1C 298982 UIYJICROOQGZQK-ZDUSSCGKSA-N 313.382 2.518 0 50 DFAA [O-][n+]1c2ccc3nonc3c2nn1-c1cc(Cl)cc(Cl)c1 317608 HAHUQOIEBWKEAN-UHFFFAOYSA-N 322.111 2.502 0 50 DFAA COC(=O)c1ccccc1NC(=O)c1noc2c1CCCCC2 426560 ORBVPCQTAMVORR-UHFFFAOYSA-N 314.341 2.982 0 50 DFAA COc1ccc(NC(=O)CSc2ncccn2)cc1Cl 2848257 HUXJGDHGZROPFW-UHFFFAOYSA-N 309.778 2.869 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2)C1 4819593 GLVLNTJOHXAINX-OAHLLOKOSA-N 319.401 2.647 0 50 DFAA COc1cccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 4834729 NIXFNXWTSZJZCW-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA biogenic CCCC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)c(Cl)c1 4841648 DHLYEYCOVPVFRV-UHFFFAOYSA-N 323.824 2.747 0 50 DFAA CCCOc1ccccc1-c1nnc(SCCC(=O)O)[nH]1 6492269 LROMEDCVFRIWIN-UHFFFAOYSA-N 307.375 2.827 0 50 DFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101362844 MPKRHHROHHFBBJ-FPCVCCKLSA-N 307.349 2.591 0 50 DFAA CCCN1CCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1 20595150 YSFZWLJKYOXUPX-UHFFFAOYSA-N 303.450 2.776 0 50 DFAA CO[C@@H](CN1CCc2c(F)ccc(C(=O)O)c2C1)C1CCC1 629366976 BUBVHBIEVSOODV-INIZCTEOSA-N 307.365 2.697 0 50 DFAA Cc1ccc(-c2cnnc(N(C)Cc3cnc4ccccn34)n2)o1 11818921 NWLREPGJWGBYFU-UHFFFAOYSA-N 320.356 2.724 0 50 DFAA CCC1(CC)CN(c2cc([C@@H]3CCCNC3)nc(C)n2)CCO1 67871568 UDTXFJDFVSOSOF-OAHLLOKOSA-N 318.465 2.647 0 50 DFAA C[C@H](OCC1CC1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 252463365 DGQBGRSYRQXNLT-VUCTXSBTSA-N 321.392 2.977 0 50 DFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C)C1 252477180 JRRMBMPDEXYTOI-BSGIZYOKSA-N 300.468 2.508 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)NCCCn3ccnc3)c2c1 68736326 PTQCKQWVULMWRJ-UHFFFAOYSA-N 308.385 2.868 0 50 DFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCc2ccccc21 252477295 LNTOPIGMSWATLK-YGHRGLEHSA-N 320.458 2.839 0 50 DFAA COCC1(C)CCN(C(=O)NCc2cc(F)ccc2F)CC1 358772857 FCKMWWVZSCIHAV-UHFFFAOYSA-N 312.360 2.923 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 315005870 FCWORDXTELBRCP-MMQHEFTJSA-N 305.349 2.942 0 50 DFAA C[C@H](Cn1cncn1)NCc1nc2cc(C(C)(C)C)ccc2o1 67909484 ILQNUPDLBMITTK-GFCCVEGCSA-N 313.405 2.895 0 50 DFAA COc1ccnc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1 121316819 BIKMXUVHXAHZSN-CXAGYDPISA-N 320.339 2.676 0 50 DFAA CN(C)CC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 363464289 BFUGSPKCXPTIEJ-ZDUSSCGKSA-N 300.324 2.931 0 50 DFAA C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1C[C@H]2CC[C@H]1C2 486688312 OARXLEBNRABZDD-ZSDNPPSXSA-N 303.450 2.912 0 50 DFAA CCc1cnccc1C(=O)N1CC[C@H](n2cc(Cl)cn2)C1 365723419 CIUOIXQLZNLBSU-ZDUSSCGKSA-N 304.781 2.581 0 50 DFAA O=C(NC[C@H]1CSCCS1)N[C@H]1CCOc2ccccc21 176346692 LIJQPUSCMDNLMM-AAEUAGOBSA-N 324.471 2.658 0 50 DFAA CN(C)c1cc(C(=O)O[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccn1 127176935 TVUIDSIKXUTVNL-CWRNSKLLSA-N 316.401 2.652 0 50 DFAA CC[C@H](C)[C@H](O)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 378310180 OMDPWVCPDXSPPA-ORQFMDKSSA-N 305.418 2.508 0 50 DFAA O=C([C@H]1C[C@]12CCNC2)N1CCC(Cc2ccc(F)cc2)CC1 444115955 DUGYVYWQBADFPI-MJGOQNOKSA-N 316.420 2.606 0 50 DFAA CCn1ccnc1[C@@H](C)NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 333066928 FCIHDXHTESVDRA-CWVYHPPDSA-N 314.433 2.818 0 50 DFAA Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 77504661 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DFAA CSc1cccc(CNc2cc(C3CC(N)C3)nc(N)n2)c1 223520603 HCVXTFYQYIOENJ-UHFFFAOYSA-N 315.446 2.598 0 50 DFAA O=C(COCC(F)(F)F)NCc1ccc(C2CC2)cc1F 292515767 TXEJKNRZRNSEDK-UHFFFAOYSA-N 305.271 2.898 0 50 DFAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3nc4ccccc4[nH]3)[C@H]2C1 426550655 QBVYPCVSZDSUIC-RPVQJOFSSA-N 315.417 2.721 0 50 DFAA CCCc1cc(CNC(=O)[C@@H]2CCOc3ccccc3C2)on1 95528604 SCFMDHUBWGGRNL-CQSZACIVSA-N 314.385 2.885 0 50 DFAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)cc1Cl 91665058 UHSHBCCRRTZUHV-WCQYABFASA-N 308.809 2.515 0 50 DFAA CC[C@@H](O)Cn1nc(Cc2ccccc2OC)nc1C(C)C 91503865 IUWNUVUXQJXJOB-CQSZACIVSA-N 303.406 2.772 0 50 DFAA COc1cccc(CCNC(=O)NCc2ccc(Cl)cn2)c1 180493636 GBBPEBGIWSEQOX-UHFFFAOYSA-N 319.792 2.786 0 50 DFAA O=[n+]1c(-c2ccc(Br)cc2)cn(O)c2c1CCCC2 334157246 JXLRFOXAWHEJQS-UHFFFAOYSA-N 322.182 2.948 0 50 DFAA CC(C)Cn1cncc1CNC(=O)[C@@H](C)n1ccnc1C(C)C 95531288 WBIGDXKRPSVDRM-CQSZACIVSA-N 317.437 2.736 0 50 DFAA Cc1csc(CCCNC(=O)CC[C@@H]2CCCN(C)C2)n1 95390221 RHXPWPBVECFQJH-AWEZNQCLSA-N 309.479 2.622 0 50 DFAA C[C@H](N[C@@H](C)c1nccn1C)c1cccc(N2CCCC2=O)c1 182625951 RSFVZSXQOFAWBO-KBPBESRZSA-N 312.417 2.959 0 50 DFAA CCn1cc(CN(C)C(=O)c2[nH]c(-c3ccccc3)nc2C)cn1 603699843 NHNJGENNZSESEM-UHFFFAOYSA-N 323.400 2.874 0 50 DFAA CC(C)Cc1noc([C@@H](C)NC(=O)N(C)CC(F)(F)F)n1 534656837 GFWXRPYSCUOZKH-MRVPVSSYSA-N 308.304 2.533 0 50 DFAA CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccn1 451382788 XSXPLXIPIGVKAZ-SFHVURJKSA-N 309.413 2.707 0 50 DFAA CCCn1nc(C)c(NC(=O)NCCc2ccccn2)c1C 299785521 TYAWCNJJRSPVET-UHFFFAOYSA-N 301.394 2.669 0 50 DFAA O[C@@H]1CN(Cc2cscn2)CC[C@H]1NC1CCCCCCC1 299789099 WVUNOAPQWJPQDB-IAGOWNOFSA-N 323.506 2.781 0 50 DFAA Cc1cc(Cl)cc2c(=O)n(C[C@H]3CCCCN3C)cnc12 584885219 KDOFYLZPQMOONR-CYBMUJFWSA-N 305.809 2.843 0 50 DFAA CCOc1ccc(OCc2nc([C@@H]3CCC[C@H](N)C3)n[nH]2)cc1 823379983 BREUYLPVPGHUOR-OLZOCXBDSA-N 316.405 2.767 0 50 DFAA Brc1cccc2c1OCC[C@@H]2NCc1cc[nH]n1 268872355 KSTMKQMWGCHBPH-LBPRGKRZSA-N 308.179 2.786 0 50 DFAA COC1(c2nccn2C)CCN(C(=O)O[C@H](C)CC(C)C)CC1 952993619 IBKPWVIJEGTVBF-CQSZACIVSA-N 323.437 2.929 0 50 DFAA CC[C@@H](NCc1c(C)nnn1CC)c1cc(OC)cc(OC)c1 1875281762 VMNHEHCCQYYHBH-MRXNPFEDSA-N 318.421 2.865 0 50 DFAA Nc1nc2c(cc1C(=O)N1CC[C@@H](c3ccccc3)C1)CCC2 1875317353 VQCIAOLAIMRJAY-OAHLLOKOSA-N 307.397 2.782 0 50 DFAA Cc1cccc(OCc2cn(CCC3CCOCC3)nn2)c1 881290615 MSHVCUOEGYVMHW-UHFFFAOYSA-N 301.390 2.982 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nccn2C(C)C)C1 888102822 OTIOAMBDMVZHQW-CABCVRRESA-N 317.437 2.766 0 50 DFAA C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H](c2cnn[nH]2)C1 1775987461 AWBQAZXUUYCKPD-DKGMDFAASA-N 310.401 2.923 0 50 DFAA OC[C@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1CO 1565527131 GAWKKRMMCDZHDH-ZIAGYGMSSA-N 321.804 2.633 0 50 DFAA CCCn1nccc1-c1ncccc1C(=O)N1C[C@@H]2CC[C@H]1C2 1565514053 USHNYVCRVSQEOF-KGLIPLIRSA-N 310.401 2.980 0 50 DFAA Cc1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)n2C)o1 170602575 PIFKTBWBSOWUAT-UHFFFAOYSA-N 323.400 2.710 0 50 DFAA CN(CCO)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 170604590 OQBQWMYOCMAOEO-UHFFFAOYSA-N 312.797 2.975 0 50 DFAA NC(=O)C1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 408513185 JANCJQWLUUYIFD-IAGOWNOFSA-N 316.445 2.585 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 221921008 KQGBHPIZZMUHLM-BRWVUGGUSA-N 309.365 2.775 0 50 DFAA O=C(NC(C1CC1)C1CC1)c1ncccc1OCc1ccncc1 171916636 PVDPRXMHGFSIRZ-UHFFFAOYSA-N 323.396 2.974 0 50 DFAA Cc1c(C(=O)N(C2CCNCC2)C2CC2)cnn1CCC(C)C 644095559 UOBBFPQQYXSFTE-UHFFFAOYSA-N 318.465 2.594 0 50 DFAA O=C(C1CCC(O)CC1)N1CCC[C@@H]1Cc1cccc(F)c1 194131747 PQXOSNFDEPFXKW-ARWYELJZSA-N 305.393 2.910 0 50 DFAA O[C@H](c1ccc(F)cc1)c1nccn1CCO[C@H]1CCCCO1 194723236 PNTUTXUXSMRQNW-JKSUJKDBSA-N 320.364 2.647 0 50 DFAA Cn1c(=O)oc2ccc(N[C@@H]3CCc4cccnc4CC3)cc21 585087390 PESPHVBNZOBWER-CYBMUJFWSA-N 309.369 2.886 0 50 DFAA CC1(C)[C@H](O)C[C@H]1N=c1nc(-c2ccncc2)[nH]c2ccccc12 777808916 NTMBVHRCAQNZON-HZPDHXFCSA-N 320.396 2.685 0 50 DFAA COc1ccc(CN(C)Cc2nc(C(C)C)no2)cc1C(=O)O 1506401925 GMIYMFHPCRCTDS-UHFFFAOYSA-N 319.361 2.532 0 50 DFAA Cc1nnc(CN2CCCN(Cc3cccc(F)c3)CC2)s1 1529101861 PHRDQGQASOURNG-UHFFFAOYSA-N 320.437 2.694 0 50 DFAA CC(=O)N[C@H]1CN(c2ncccc2F)C[C@@H]1c1ccc(C)cc1 211986422 MEIVEFHCJGHALC-WBVHZDCISA-N 313.376 2.638 0 50 DFAA O[C@H]1CN(C2CCCCC2)CC[C@@H]1c1ccc2c(c1)OCO2 212470466 JMVVHTQYVLHRCG-CVEARBPZSA-N 303.402 2.898 0 50 DFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1 1704335647 PPADIMHHQPDSQY-UHFFFAOYSA-N 320.824 2.576 0 50 DFAA CCCCOc1ccc([C@H](C)NC(=O)C2(O)CC2)cc1OC 1615058492 PEKPLSFQGNZDPA-LBPRGKRZSA-N 307.390 2.576 0 50 DFAA Cn1ccnc1CN1CCO[C@H](Cc2ccccc2Cl)C1 12299891 VQBHAKBJBBPTRV-CQSZACIVSA-N 305.809 2.517 0 50 DFAA Cc1ccc(C)c(N2C[C@@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c1 13955715 ZZQSXJGOVSNNDY-ZBFHGGJFSA-N 314.429 2.915 0 50 DFAA C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 17322922 QIHBWVVVRYYYRO-ZDUSSCGKSA-N 321.380 2.733 0 50 DFAA in-vitro O=C(NC1CCCCCC1)c1ccc(CN2CCOCC2)cc1 19973442 NKIBRODZYJMNDK-UHFFFAOYSA-N 316.445 2.971 0 50 DFAA N[C@H]1CC[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2F)C1 247779181 ZVRSHCMSRXTAHP-SCZZXKLOSA-N 304.287 2.588 0 50 DFAA CCc1ccc2nc(C)cc(C(=O)N3C[C@H]4CCN(C)[C@H]4C3)c2c1 248137072 PAWHLMVFZZPINS-BEFAXECRSA-N 323.440 2.882 0 50 DFAA O=C(O)[C@@H]1CCCN(Cc2noc(-c3cccc(Cl)c3)n2)C1 359867421 IXXDMIFVJVHVNX-LLVKDONJSA-N 321.764 2.687 0 50 DFAA O=C(O)c1cccc(CNCCN2CCc3sccc3C2)c1 263503850 WKFBDSPVYBHWRD-UHFFFAOYSA-N 316.426 2.594 0 50 DFAA CN(C)C(=O)c1cnc(N[C@@H]2CCC[C@H](N(C)C)C2)c(Cl)c1 267234418 GDWBLXAIAXTEBY-OLZOCXBDSA-N 324.856 2.722 0 50 DFAA O=C(N[C@H]1C[C@@](CO)(c2ccccc2)C1)N1CCCCCC1 902985640 PCJZLVBHAHSUSR-MAEOIBBWSA-N 302.418 2.665 0 50 DFAA COc1cccc(-c2nc(CN[C@@H]3CCNC34CCC4)co2)c1 903471612 KRVWGOLAQHSCEP-MRXNPFEDSA-N 313.401 2.724 0 50 DFAA CCc1nc(COC(=O)c2nnc(O)c3ccccc23)cs1 913296868 PGWWEKLHBHZWEQ-UHFFFAOYSA-N 315.354 2.711 0 50 DFAA COC1CCC(CC(=O)N(C)C[C@@](C)(O)c2ccccc2)CC1 819714633 SNVTUFDNJYYPOV-GXOAENINSA-N 319.445 2.948 0 50 DFAA Cc1cccc2nc(CCNC(=O)[C@H](C)c3cccc(O)c3)cn12 823740467 SVUUKBLBDLQWCZ-CQSZACIVSA-N 323.396 2.811 0 50 DFAA Cc1cc(C)c2c(NC(=O)Cc3cccs3)nn(C)c2n1 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COc1cccc(C[C@@H](C)NC(=O)c2ccc(C(=O)O)cc2)c1 357432965 FSOUBWUCAIUPDA-GFCCVEGCSA-N 313.353 2.754 0 50 DFAA CCc1nnc(NC(=O)N[C@@H]2CCc3c(OC)cccc32)s1 155471069 AVPXZOJUEPQNCF-LLVKDONJSA-N 318.402 2.918 0 50 DFAA CC(=O)N1CC[C@](C)(C(=O)NCc2ccc(Cl)c(C)c2)C1 368220539 LLDDHAGHEHYVBW-INIZCTEOSA-N 308.809 2.523 0 50 DFAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc2ccnn12 72153193 OGVNSMHWQVRATE-UHFFFAOYSA-N 323.331 2.622 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1n[nH]c2ccccc12 157226066 VHIULUXMPVVLQW-UHFFFAOYSA-N 304.313 2.600 0 50 DFAA CCOc1ccc(CC(=O)N[C@@H](CC)c2ccnn2C)cc1 218979416 RARPPKRATYBOLE-HNNXBMFYSA-N 301.390 2.629 0 50 DFAA c1ccc2c(c1)CC[C@H](N1CCN(Cc3ccncc3)CC1)C2 72478038 PFCJOIIJSSFLRE-FQEVSTJZSA-N 307.441 2.757 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 238001239 RJJWCMDHIPGWLB-CYBMUJFWSA-N 323.364 2.698 0 50 DFAA CCc1ncnc(CC)c1C(=O)N1CCOC2(CCCCC2)C1 340748602 FWYNJKSKCXRWDX-UHFFFAOYSA-N 317.433 2.777 0 50 DFAA Cc1c([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)oc2ccccc12 242338987 ZDZRVRFMUJEIDO-HUBLWGQQSA-N 323.414 2.899 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)cs1 263402285 GVVLZBKATNDOJN-CYBMUJFWSA-N 316.382 2.889 0 50 DFAA CCCOc1c(CN(C)Cc2nncn2C)cccc1OCC 290149068 LABQRJDVHXMKBK-UHFFFAOYSA-N 318.421 2.635 0 50 DFAA O=C(CCN1CCC[C@H](c2cn[nH]c2)C1)Nc1cccc(F)c1 160641704 SJTXVKINLAAGIN-ZDUSSCGKSA-N 316.380 2.757 0 50 DFAA CC(C)OCCNC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 426379722 MJHXAAUMJNKEER-UHFFFAOYSA-N 324.812 2.783 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCn2cccc2[C@H]1C 179399755 ALNHJFUUAWYSCM-SMDDNHRTSA-N 300.406 2.925 0 50 DFAA CCc1ccc([C@H]2CCCN2C(=O)NCc2cncn2C)o1 291827405 INOVDGSHPIEVOJ-CQSZACIVSA-N 302.378 2.622 0 50 DFAA CCCCn1ncnc1C1(S(=O)(=O)c2ccccc2)CC1 96138351 OCVMRPBCRABIGY-UHFFFAOYSA-N 305.403 2.541 0 50 DFAA CCCOC(=O)N1CCC[C@@H](c2nccn2CCCN(C)C)C1 95360094 CXOQXFAZAGOGCK-OAHLLOKOSA-N 322.453 2.561 0 50 DFAA O=C1NC2(CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 426438927 SIFLKNHHFJCEAR-SFHVURJKSA-N 321.424 2.720 0 50 DFAA c1c[nH]c(-c2nc([C@@H]3CCOC3)nn2-c2nc3ccccc3[nH]2)c1 97528936 YUBVIOXGDLTMNG-LLVKDONJSA-N 320.356 2.643 0 50 DFAA Cc1[nH]nc(CCC(=O)NC[C@@H](C)N(C)c2ccccc2)c1C 97578480 GJTZVQPLUNQSDC-CYBMUJFWSA-N 314.433 2.600 0 50 DFAA COc1cccc(OCCN2CC(N3CCCC[C@H]3C)C2)c1 244723510 MCWVRTVYNPPIMA-OAHLLOKOSA-N 304.434 2.633 0 50 DFAA CN(CCC(=O)Nc1ccc(F)cc1F)C[C@H]1CCCCO1 244601915 DUIJBEMSPOPVOU-CYBMUJFWSA-N 312.360 2.794 0 50 DFAA Clc1ccccc1[C@@H](CNc1cnccn1)N1CCOCC1 298464486 ZNCNYXXFZBSRBR-OAHLLOKOSA-N 318.808 2.615 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C)c2nc(C3CC3)no2)c1C 299778619 KDZUZOZIATVCBL-VIFPVBQESA-N 316.361 2.586 0 50 DFAA C[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)c2ccccc21 185486516 KVTIGFJGGQQXFU-AWEZNQCLSA-N 323.396 2.742 0 50 DFAA CC(C)(C)C[C@H](c1cccnc1)n1cnc2nccnc2c1=O 584901239 QHMPEKRTLQOFAU-CYBMUJFWSA-N 309.373 2.607 0 50 DFAA CCCCn1nc(C)nc1CN1C(=O)COc2ccc(C)cc21 670447696 DVIPTZGSSKBXQP-UHFFFAOYSA-N 314.389 2.621 0 50 DFAA Cc1ccccc1[C@H]1CCCN1C(=O)NCc1nonc1C 873281084 XPCUJTQSTMKAFF-OAHLLOKOSA-N 300.362 2.733 0 50 DFAA O=C(NCc1ccc(-c2nc[nH]n2)cc1)c1cc2cnccc2o1 1875334328 KDQQMMNIOIJURH-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA Cc1c(Cl)cccc1N1CCCN(C(=O)/C=C/[C@@H](C)N)CC1 1875338334 ULNGHWAPSIQWHZ-SBDDDAINSA-N 321.852 2.591 0 50 DFAA Cn1ccnc1[C@@H]1CCCN1C(=O)CC1(CC(=O)O)CCCC1 1875270897 YCOOILHEZLNTSK-ZDUSSCGKSA-N 319.405 2.509 0 50 DFAA Cc1cc(C)n(C[C@@H](C)N2CCN(c3ccccc3F)CC2)n1 952989456 MJUYIQQKCFAKCP-MRXNPFEDSA-N 316.424 2.850 0 50 DFAA Nc1ncc2c(n1)CN(C(=O)c1c(Cl)cccc1Cl)CC2 1412350816 VWHPSXJQDFIAQL-UHFFFAOYSA-N 323.183 2.564 0 50 DFAA O=C(O)Cc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)cc1 630160627 NXWOUZYYEPSIGD-KBAYOESNSA-N 307.349 2.838 0 50 DFAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2ccsc2)C1 275535197 GFXXRIIIHMPZJD-ZDUSSCGKSA-N 317.414 2.503 0 50 DFAA OCc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)o1 275711173 YGPNKUJGYADYMB-INIZCTEOSA-N 301.390 2.711 0 50 DFAA CC(C)(C)S(=O)(=O)c1ccc(NC(=O)c2cscn2)cc1 170604775 PCIFLIDUCPIFQI-UHFFFAOYSA-N 324.427 2.968 0 50 DFAA C[S@@](=O)C1(CNC(=O)NCCC2=CCCCCC2)CCC1 408515523 AHDXKKPVGABTAY-OAQYLSRUSA-N 312.479 2.867 0 50 DFAA CCOC[C@@H]1CCN(C(=O)c2cccc3c2C(=O)OC3(C)C)C1 408517322 GTJOXFYWENNEFZ-GFCCVEGCSA-N 317.385 2.591 0 50 DFAA Cc1ccc(SCCNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1 189814389 ANSRZIBJLQRQFF-KGLIPLIRSA-N 308.447 2.547 0 50 DFAA CO/C(=C\c1ccccc1)C(=O)NCc1cccc(NC(C)=O)c1 585079473 JOCVUBCCGAVZDY-PDGQHHTCSA-N 324.380 2.949 0 50 DFAA CN(C[C@H]1CCCOC1)C(=O)Nc1nsc2ccccc12 585119522 JQDIXKZEWTVGSM-LLVKDONJSA-N 305.403 3.187 0 50 DFAA CC(C)(C)[C@H]1CN(C(=O)C2(CO)CC2)C[C@@H](c2ccccc2)O1 1529092555 UYSOTIJCPDORRL-JKSUJKDBSA-N 317.429 2.774 0 50 DFAA CCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)N(C)C1=S 474044 JGHNDMYIEJNFFC-FLIBITNWSA-N 310.806 2.768 0 50 DFAA CC[C@](C)(OC)c1noc(C2CCN(c3ncccn3)CC2)n1 1614674622 ZCDSJGFVEVRHAP-INIZCTEOSA-N 317.393 2.515 0 50 DFAA COc1cc(O)ncc1C(=O)N1CCC[C@H]1C1CCCCC1 1615002460 FHEFWQHBLPNTDB-AWEZNQCLSA-N 304.390 2.981 0 50 DFAA CCc1ccc2c(c1)CCN(C(=O)NCc1ccnn1CC)C2 1615552786 HFSWPKMENZADCC-UHFFFAOYSA-N 312.417 2.733 0 50 DFAA Cc1ccc(C)c(OCCCN(C)CC[C@@H]2COCCO2)c1 1775977953 NWPBMZMHNDAWSC-QGZVFWFLSA-N 307.434 2.810 0 50 DFAA CNS(=O)(=O)c1ccc(Br)c2ccccc12 5234551 POCZACCMDALALB-UHFFFAOYSA-N 300.177 2.510 0 50 DFAA Cc1ccc(-n2nnc(C(=O)NC(C)C)c2-c2ccco2)cc1 12274687 XKDIFDBTBZBQFQ-UHFFFAOYSA-N 310.357 2.974 0 50 DFAA CCc1ccc2nc(COCC(F)(F)C(F)F)[nH]c(=O)c2c1 225619365 QVWPZXBMJOFUBA-UHFFFAOYSA-N 318.270 2.903 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)O 237533890 VWCKFAMUKVOQHR-ZIAGYGMSSA-N 305.374 2.700 0 50 DFAA CCN(C)c1ccc(CNCc2ccc3c(c2)OCCO3)cn1 239367115 AHOBMGNJOFQWTK-UHFFFAOYSA-N 313.401 2.599 0 50 DFAA c1c2c(cc3c1OCO3)-c1cc3cc4c(cc3c[n+]1CC2)OCO4 14681745 IDEMWTMCJLNBDH-UHFFFAOYSA-N 320.324 2.808 0 50 DFAA biogenic,in-vitro CCc1ccnc(CNC(=O)N[C@@H]2CCCC23CCOCC3)c1 252484135 FPKZULRUAAQQES-MRXNPFEDSA-N 317.433 2.793 0 50 DFAA CCn1c(O)nnc1C1CCN(C(=O)CCC2CCCC2)CC1 378148932 KVGYOECVXOGQJQ-UHFFFAOYSA-N 320.437 2.680 0 50 DFAA CCCn1c(C(=O)N2CCCCS2(=O)=O)cc2ccccc21 814080080 NDSJQTOPVQXHBC-UHFFFAOYSA-N 320.414 2.617 0 50 DFAA Cc1cc(COc2ccc([C@@](C)(O)[C@H]3CCCN3C)cc2)on1 818024536 QMHFKEBZROVBCR-QZTJIDSGSA-N 316.401 2.864 0 50 DFAA Cc1cc(S(=O)(=O)N[C@@H](CN)C2CCCC2)sc1Cl 192028817 NKAYQJIUCYUBTI-JTQLQIEISA-N 322.883 2.506 0 50 DFAA O=C(NCC1Cc2ccccc2C1)c1n[nH]cc1-c1ccncc1 2325849982 HXWWFCUTGUJGCE-UHFFFAOYSA-N 318.380 2.617 0 50 DFAA O=C(COc1ccccc1Br)NCc1ccco1 37978 UAEXCWKBYATLSH-UHFFFAOYSA-N 310.147 2.737 0 50 DFAA O=C(O)c1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)cc1 236197 FJVVHJQAUCPBBN-UHFFFAOYSA-N 312.350 2.806 0 50 DFAA CCOC(=O)c1cn(CC2CC2)c2cc(F)c(F)cc2c1=O 278956 CRJPRQUHORHTDW-UHFFFAOYSA-N 307.296 2.866 0 50 DFAA COc1ccc(CCN[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC 360065 ASIXXJPWMHNLIN-IIAWOOMASA-N 306.450 2.565 0 50 DFAA COc1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1 434185 DKNOTUCSTWHNFB-UHFFFAOYSA-N 323.348 2.774 0 50 DFAA biogenic Cc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1 463251 CZKHYUHYTLPRID-UHFFFAOYSA-N 304.375 2.693 0 50 DFAA CCOc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1C 619623 WKRFOSLIVVVNSB-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)s1 2500437 VOMNUKMWZLPERD-UHFFFAOYSA-N 301.343 2.856 0 50 DFAA COC(=O)c1cccc(C(=O)NCc2cc(C)cc(Cl)n2)c1 225709311 XSOTUDLGCJLIGT-UHFFFAOYSA-N 318.760 2.760 0 50 DFAA Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc(C(=O)O)ccn1 416416516 LPZQMODHTPXBNF-ZDUSSCGKSA-N 312.369 2.791 0 50 DFAA O=C(NCc1ccccc1)C1CCN(Cc2ccncc2)CC1 247493287 NDBFQQFOOUZFNN-UHFFFAOYSA-N 309.413 2.610 0 50 DFAA Cc1c(C(=O)N(C)CC(=O)NC(C)(C)C)oc2ccccc12 138509158 CCPWKRZMTYFLLX-UHFFFAOYSA-N 302.374 2.728 0 50 DFAA CCO[C@H]1C[C@H](N(C)Cc2nccc(N)n2)C12CCCCC2 135099573 ZCRKFSAKVRYHGR-KBPBESRZSA-N 304.438 2.619 0 50 DFAA CC(C)[C@H](CO)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55405006 TXFQWQILCAVQMG-AWEZNQCLSA-N 317.341 2.528 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc3nccn3c2)c1 55042351 QCFYSBSEIRPXHZ-AWEZNQCLSA-N 308.385 2.741 0 50 DFAA CCSCCCNC(=O)Nc1cccc(-n2ccnn2)c1 282251240 OKVNDDAKBRSCGG-UHFFFAOYSA-N 305.407 2.532 0 50 DFAA Cc1ccccc1-c1nnc(CSc2nnc(N)s2)o1 21356636 MNVGCSDVUIBSRX-UHFFFAOYSA-N 305.388 2.771 0 50 DFAA Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)nc1 119454924 ICAVKZMYPBMGIN-UHFFFAOYSA-N 316.304 2.778 0 50 DFAA Cc1cc(F)ccc1CCNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 121268423 KKDLMEZCZYVIMY-ZIAGYGMSSA-N 307.365 2.684 0 50 DFAA Cc1noc([C@@H]2CC[C@H](CNCc3cnc(C(C)C)s3)O2)n1 328615701 BARZQQQDLWZPCT-YPMHNXCESA-N 322.434 2.968 0 50 DFAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cncs2)n1C 328655251 YFRUOYRJHODOBU-AWEZNQCLSA-N 318.446 2.568 0 50 DFAA Fc1c(F)c(F)c(CN2CCC[C@@]3(CCNC3)C2)c(F)c1F 67773815 YURKBMGWFGKUCS-HNNXBMFYSA-N 320.305 2.958 0 50 DFAA Cc1ccn(C)c(=O)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 152188117 AWLBKEGKLSBTBW-NSHDSACASA-N 320.776 2.753 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)O)C2)o1 237357265 QQYUAPARBACIKT-SIOIBXSKSA-N 303.358 2.739 0 50 DFAA COc1ccc2c(c1)OCCN(C(=O)Cc1ccc(F)cc1)C2 367246507 MTITZWZGBOOJOS-UHFFFAOYSA-N 315.344 2.798 0 50 DFAA Cc1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1C 369185225 XZLGDVMZRIFFKI-QGZVFWFLSA-N 314.429 2.921 0 50 DFAA CCCN(CC)c1ccc(C(=O)N(C)[C@H]2C[C@@H](OC)C2)cn1 286020642 OGIJLGYYKXAXAD-GASCZTMLSA-N 305.422 2.567 0 50 DFAA c1ccc(-c2noc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n2)cc1 287131110 GVKWKIKJABGAQU-IMJJTQAJSA-N 311.385 2.784 0 50 DFAA C[C@H](O)CN(C)C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 177415728 CCGVVWOIXAQIDT-MNOVXSKESA-N 303.324 2.723 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2cccc3[nH]ccc23)c2ccccc21 177477935 KLWHRNROYVSTOS-CQSZACIVSA-N 306.321 2.997 0 50 DFAA CCCn1cc(CNC(=O)c2cc(-c3ccccc3)on2)cn1 82098962 FQLQAWBFUQXYBH-UHFFFAOYSA-N 310.357 2.878 0 50 DFAA Cc1c(C(=O)Nc2ccccc2CC(=O)O)cnn1C(C)(C)C 178246846 XGJKPAMJXJLCOP-UHFFFAOYSA-N 315.373 2.826 0 50 DFAA CCn1nc(Cn2cc(C[C@H](C)SC)nn2)c2ccccc21 91951685 JNHQGCUSCKZHPC-LBPRGKRZSA-N 315.446 2.990 0 50 DFAA O=C(NCc1cc(-c2ccco2)on1)c1ccc2nccnc2c1 97805641 QFAJBXNHTSOAJQ-UHFFFAOYSA-N 320.308 2.808 0 50 DFAA CCc1c[nH]c(Sc2cc(C(F)(F)F)nc3ncnn23)n1 268509284 CFGOYMDXPZTDPM-UHFFFAOYSA-N 314.296 2.580 0 50 DFAA CCN(C)c1ccnc(C[C@@H]2COc3c(cccc3OC)C2)n1 95510473 VCWNFEZAZIIDEU-CYBMUJFWSA-N 313.401 2.735 0 50 DFAA CN(C)[C@@H](C(=O)N1CCC(F)(F)CC1)c1ccccc1F 91304357 WRCYMSRYPMUKMI-CYBMUJFWSA-N 300.324 2.686 0 50 DFAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](O)C2=O 253596378 QQIVKFZWLZJXJT-HBXFBLLUSA-N 304.430 2.850 0 50 DFAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 253590091 CEMLAYQDMWFPDU-SGQFABHNSA-N 306.446 2.930 0 50 DFAA CCc1ncc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)s1 299748331 GYHLQFNNZMLYHN-AXFHLTTASA-N 308.403 2.563 0 50 DFAA CCc1nccn1C[C@@H](C)NCc1ccc2nsnc2c1 823557277 JBSDFAFXCZEPKZ-LLVKDONJSA-N 301.419 2.629 0 50 DFAA O=C(Cn1cccn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 584887337 PBRRMBPDJTVNAS-HOCLYGCPSA-N 301.365 2.550 0 50 DFAA Cc1ccc([C@H](O)CNC(=O)C2(N3CCCC3)CCCC2)cc1 670467155 XQVZNJQZQQXUTB-QGZVFWFLSA-N 316.445 2.553 0 50 DFAA Cc1noc([C@]23CCC[C@H]2CN(Cc2nc(C)oc2C)C3)n1 685941148 SVZYCOQKNMXDDR-BBRMVZONSA-N 302.378 2.537 0 50 DFAA COC(=O)/C=C/CCNC(=O)CC1CC(c2ccccc2)C1 1875314303 QVLCYAUOPNFDDS-WEVVVXLNSA-N 301.386 2.806 0 50 DFAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1cc(F)c(F)cc1Cl)C2 71260805 DNQLDZYKAZAZSX-ZJUUUORDSA-N 314.763 2.927 0 50 DFAA O=C(NCc1cc(C(F)F)no1)c1cccc2c1COCC2 1875277040 ZGGLLZXSNJOSIE-UHFFFAOYSA-N 308.284 2.615 0 50 DFAA O=C(NCCc1cccc(-c2ccccc2)c1)N1CC[C@@H]1CO 893679911 WUYKXEVOYVCAIZ-GOSISDBHSA-N 310.397 2.672 0 50 DFAA CCc1ncc(CNC(=O)c2ccc(-n3nc(C)cc3C)cc2)[nH]1 1178662723 XITUDUKCDZPINF-UHFFFAOYSA-N 323.400 2.705 0 50 DFAA COc1cc(NC(=O)[C@H]2C[C@]2(C(=O)O)C(C)C)cc(OC)c1C 899786238 QNQGUEOOZHUPNB-PXAZEXFGSA-N 321.373 2.698 0 50 DFAA CN(C)C(=O)Sc1cccc(NC(=O)[C@@H]2COC(C)(C)O2)c1 1775993230 XJTYBVQSHXMGTB-LBPRGKRZSA-N 324.402 2.550 0 50 DFAA O=C(c1ccnc(Cl)c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O 1324560360 AMYOXTQGPUYMLJ-BFHYXJOUSA-N 308.809 2.891 0 50 DFAA CC[C@H](C(=O)O)[S@](=O)Cc1coc(-c2ccccc2F)n1 600880601 QSGPSFPLQQRLSY-XUSGNXJCSA-N 311.334 2.593 0 50 DFAA Cc1ncc(CC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)o1 639788106 VWLIUHPZPLOKTD-CQSZACIVSA-N 302.349 2.756 0 50 DFAA COc1ccc(CN[C@@]2(CO)CCc3ccccc32)c(OC)c1 305210898 ZYDWBBRMMYAAGT-LJQANCHMSA-N 313.397 2.627 0 50 DFAA O=S(=O)(Nc1ccc(C2CC2)nn1)c1ccc(Cl)cc1 408514788 WVJAMCCNDBEUDV-UHFFFAOYSA-N 309.778 2.808 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C2C=CC=CC=C2)c1 225490382 RQWUUCOSPWAVRN-WMZOPIPTSA-N 311.381 2.628 0 50 DFAA C[C@H](CC(=O)N[C@@H]1CCn2cncc21)Cc1cccc(F)c1 585122668 XCKQTEYWHGWJKQ-SWLSCSKDSA-N 301.365 2.852 0 50 DFAA CN1C[C@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1=O 191324020 YNKUHZKANOPDCB-ZCFIWIBFSA-N 305.136 2.549 0 50 DFAA CN(C)C(=O)CCCSc1nnc(-c2cccs2)n1C 191752250 ZQIJKYLAHDVRIK-UHFFFAOYSA-N 310.448 2.504 0 50 DFAA CC(=O)c1ccc(S(=O)(=O)N2CC(C)(CC(F)F)C2)cc1 645817691 RZAKUUSSIYTUBA-UHFFFAOYSA-N 317.357 2.555 0 50 DFAA CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(C)nc1)C2 194504389 GUEHAIZVAKVTSJ-UHFFFAOYSA-N 309.369 2.547 0 50 DFAA CCc1cccnc1[C@H](C)NC[C@@H]1CCO[C@H]1c1cnn(C)c1 666221223 MUGMBJAPQULZDZ-DHSIGJKJSA-N 314.433 2.806 0 50 DFAA O=C(Cc1c(F)cccc1Cl)Nc1cnn2c1NCCC2 1506411706 UMCBJPKLCUSBCH-UHFFFAOYSA-N 308.744 2.672 0 50 DFAA O[C@H]1CN(CC2CCCC2)CC[C@@H]1c1ccc2c(c1)OCO2 212325890 KUPWZZDPFLMXCK-CVEARBPZSA-N 303.402 2.756 0 50 DFAA CC[C@@]1(O)CCC[C@@H]2CN(S(=O)(=O)c3ccccc3C)C[C@@H]21 1704332918 VCCGEJBIFKMSJK-HLLBOEOZSA-N 323.458 2.557 0 50 DFAA COc1ccc(/C=C/C(=O)NC(=S)N2CCCCCC2)cc1 435893 OBXCQAKUUPCUMF-DHZHZOJOSA-N 318.442 2.986 0 50 DFAA CC[C@@](C)(OC)c1noc(C2CCN(c3ncccn3)CC2)n1 1614674625 ZCDSJGFVEVRHAP-MRXNPFEDSA-N 317.393 2.515 0 50 DFAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CCCCc1ccccc1 1772712776 QADMMKAKHVHVMP-NVXWUHKLSA-N 314.429 2.621 0 50 DFAA O=C(NCC(F)(F)F)c1coc(COc2ccccc2)n1 12597604 IYJWCMQHTQYZHH-UHFFFAOYSA-N 300.236 2.546 0 50 DFAA COc1ccccc1OCCSc1ncnc2nc[nH]c12 18173665 RECFDWBJJSFKPI-UHFFFAOYSA-N 302.359 2.533 0 50 DFAA Cc1nc(O)cc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1 1857681399 CRDQGWJTDQHPMX-CYBMUJFWSA-N 321.384 2.818 0 50 DFAA COc1ccc2cc(-c3nccn3CCCCN)c(O)nc2c1 1857692672 OPHMRZOABAQACI-UHFFFAOYSA-N 312.373 2.551 0 50 DFAA O=C(CCc1cncnc1)N1CC(c2cccc(Cl)c2)C1 412386034 GZLUWJWOQGVXBH-UHFFFAOYSA-N 301.777 2.689 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CC[C@@](C)(C(=O)O)C2)c1 237708258 URZZZFUNIZANRX-GOSISDBHSA-N 319.401 2.867 0 50 DFAA Cc1ccc(C(C)C)c(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 13155025 XTOKLWGMMJVQST-BBWFWOEESA-N 321.461 2.967 0 50 DFAA CSc1cccc(N(C)C(=O)[C@H]2C[C@H]2c2cnn(C)c2)c1 368884824 WRSSTIHKNLWHQT-GJZGRUSLSA-N 301.415 2.909 0 50 DFAA Cc1[nH]ccc1C(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 370145780 HSXJYFGZLSTVIW-QGZVFWFLSA-N 323.396 2.911 0 50 DFAA COC[C@](C)(NC(=O)c1ocnc1C1CC1)c1ccccc1 585083526 UPELAGVDGUAWDG-KRWDZBQOSA-N 300.358 2.844 0 50 DFAA CC(C)n1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)n1 262725411 GIOMRDVBUJLSLI-GFCCVEGCSA-N 315.373 2.980 0 50 DFAA CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC)cc1)C2=O 19322251 YKEOPPJEHCPWSI-UHFFFAOYSA-N 314.429 2.701 0 50 DFAA biogenic Cn1ncc2ccc(-c3noc([C@]4(C)CNC(C)(C)C4)n3)cc21 2325809258 VPTCDQCJFYITMJ-KRWDZBQOSA-N 311.389 2.653 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3C[C@@H](N)C34CCC4)cc2)c1C 2325840811 RRGJUJXFQYSWHA-DLBZAZTESA-N 324.428 2.945 0 50 DFAA COCCc1nc(C[C@@H]2CC[C@@H]2OC)n(-c2ccc(F)cc2)n1 2325849462 PXPVJCMIVAQWPK-WFASDCNBSA-N 319.380 2.563 0 50 DFAA CCn1cccc(CNCc2ccc3cc(F)ccc3n2)c1=O 2325858536 RAASCXDNVLMAEB-UHFFFAOYSA-N 311.360 2.845 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2ccc3ocnc3c2)cc1 2325861280 LCVINPPZRMASRZ-GFCCVEGCSA-N 308.337 2.840 0 50 DFAA O=C(c1cccnc1)N1CCN(c2ccc(Cl)cc2)CC1 178942 FGEQXAUAEKMHAU-UHFFFAOYSA-N 301.777 2.697 0 50 DFAA COc1ccc(Cl)cc1NC1=NS(=O)(=O)c2ccccc21 286084 PUGWKYSHTUGHCX-UHFFFAOYSA-N 322.773 2.910 0 50 DFAA COc1ccccc1C(=O)NC(=S)Nc1ccccc1F 452914 IJMUSAXRHHOIIF-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA CCCCC(=O)Nc1ccc(C(=O)Nc2nncs2)cc1 2858975 SEDRHZUDJRIDLY-UHFFFAOYSA-N 304.375 2.919 0 50 DFAA O=C1NCCC[C@@]12CCCN2Cc1ccc2cc(O)ccc2c1 2356163653 MJTULBQTCYGCNX-LJQANCHMSA-N 310.397 2.790 0 50 DFAA CCc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1 4814569 WEINGUMWOYUZHD-UHFFFAOYSA-N 303.383 2.661 0 50 DFAA CCNCCOc1ccc(C)cc1I 6703772 VHVBQXFCBVCCPK-UHFFFAOYSA-N 305.159 2.588 0 50 DFAA Cc1cc(=O)oc2cc(NC(=O)[C@H](N)Cc3ccccc3)ccc12 6796458 UNWTXWNBQNGDDS-MRXNPFEDSA-N 322.364 2.610 0 50 DFAA Cn1nnnc1SCCCNC/C=C/c1ccc(Cl)cc1 7541552 CMKDIEZWGZRCBA-DUXPYHPUSA-N 323.853 2.649 0 50 DFAA O=C(N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)c1cc(F)cc2nc(S)[nH]c12 247483485 RCSZFRPKTXPABT-LWHDFMMVSA-N 317.389 2.765 0 50 DFAA O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCCCc1ccccc1 101441339 MFRBGFQLDDSTEI-NXOAAHMSSA-N 313.397 2.648 0 50 DFAA Cc1ccccc1S(=O)(=O)NCC[C@@H]1CCCN(C(C)C)C1 67473383 YDJXWCVXUCEJDU-INIZCTEOSA-N 324.490 2.784 0 50 DFAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237528464 CBHZYSZEQIQBSH-OLZOCXBDSA-N 323.364 2.696 0 50 DFAA CN(Cc1ccccc1-n1cccn1)C(=O)c1cncc(F)c1 219621596 ONLJPWIFNPSASX-UHFFFAOYSA-N 310.332 2.679 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1ccccc1OCC(=O)O 215985677 KXMIJNTZPZZGMF-ZDUSSCGKSA-N 317.389 2.683 0 50 DFAA O=C(N[C@@H]1COC2(CCCC2)C1)c1cccc(-n2cccn2)c1 77379323 JBWINQUOMYDOOU-HNNXBMFYSA-N 311.385 2.704 0 50 DFAA CC(C)=CCN1CCC(Oc2cccnc2C)(C(=O)O)CC1 72458429 CUPXNCPPCGIWLF-UHFFFAOYSA-N 304.390 2.654 0 50 DFAA CC(C)n1ncc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)c1C1CC1 360653803 XKPGBZCQPYBJSA-UONOGXRCSA-N 319.449 2.870 0 50 DFAA CSCC[C@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 237308149 GEKRJNOPTLMHTE-LNSITVRQSA-N 310.438 2.611 0 50 DFAA CNC(=O)CC1CCN(c2nc(C3CCCC3)ns2)CC1 333846649 MMSUMMNOWBWNRW-UHFFFAOYSA-N 308.451 2.548 0 50 DFAA CC(C)c1ncc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c(=O)[nH]1 71385549 QUAUWZMMDUAHJV-AWEZNQCLSA-N 315.348 2.620 0 50 DFAA O=C(O)CN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 238159225 TUEPYZBWZPIEPS-SNVBAGLBSA-N 304.173 2.921 0 50 DFAA CC(C)n1ccc(C(=O)NC2(CN3CCCC3)CCCCC2)n1 215334627 SBWPAECAXJQZNL-UHFFFAOYSA-N 318.465 2.993 0 50 DFAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)CCC(F)(F)F 77423362 IIPHMUNGWYBMFD-AWEZNQCLSA-N 314.351 2.844 0 50 DFAA Cc1ccc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c(C)c1 262003083 VIOUPMKIWQWALA-CQSZACIVSA-N 315.291 2.783 0 50 DFAA c1ccc(-c2noc(CCN3CCC[C@H](c4ccn[nH]4)C3)n2)cc1 157609903 MYBQROZDNDIFNO-HNNXBMFYSA-N 323.400 2.882 0 50 DFAA Cc1noc(C(C)(C)NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)n1 239869329 CYHPKUQTQLBVPM-VIFPVBQESA-N 318.381 2.602 0 50 DFAA COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccccc2)n1 40267386 YUCIJGGGVDTIKU-UHFFFAOYSA-N 320.348 2.802 0 50 DFAA C[C@H](CCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O)c1ccccc1 246369480 YIVFBEGFBRSOLZ-FVQBIDKESA-N 302.418 2.731 0 50 DFAA C[C@@]1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCCOC1 263506916 BJABAVYUAPDBFS-MRXNPFEDSA-N 303.314 2.886 0 50 DFAA Cc1nc(CCNC(=O)c2cc(C(C)C)nn2C)sc1C 82092124 UPHGGGXAPOTCRE-UHFFFAOYSA-N 306.435 2.589 0 50 DFAA Brc1cnc(N2CCCC[C@@H]2c2cc[nH]n2)nc1 289095936 KFBKQTXGJGOUPH-LLVKDONJSA-N 308.183 2.694 0 50 DFAA Cc1cccc(C[C@H](C)NC(=O)Cc2c(C)nc3ccccn23)n1 426445550 LOTODGXCVIGXRC-AWEZNQCLSA-N 322.412 2.636 0 50 DFAA COc1cccc([C@H]2CN(Cc3cnn4ccccc34)CCO2)c1 179438309 IFOXADSWCMSWNI-LJQANCHMSA-N 323.396 2.916 0 50 DFAA CCOC(=O)c1cncc(-c2ccc(C(=O)N3CCC3)cc2)c1 426634349 UXNZPWIRSKPBGX-UHFFFAOYSA-N 310.353 2.771 0 50 DFAA CCOC(=O)C(=O)c1cn(C)c2ccc(Br)cc12 94968033 AMQGCZYPMGLYQA-UHFFFAOYSA-N 310.147 2.687 0 50 DFAA CC(C)[C@H](C)n1nccc1NC(=O)NCCc1ccncc1 97602268 NNUCAHMVZXSXKL-ZDUSSCGKSA-N 301.394 2.859 0 50 DFAA COCC1(NC(=O)[C@@H](c2cccc(F)c2)N(C)C)CCCC1 95391144 YDPNXPXREOVPRQ-OAHLLOKOSA-N 308.397 2.504 0 50 DFAA COc1ccc(CNC(=O)CCc2ccncc2)c(F)c1F 97515180 BCBSQZONLXFIJG-UHFFFAOYSA-N 306.312 2.617 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](N[C@H]3CCCC[C@H]3C)C2=O)cc1 239434106 YZOPMRBEEJYGBQ-KBMXLJTQSA-N 300.402 2.795 0 50 DFAA COc1cc(CCC(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)ccc1C 92107078 PWCLWPDQVUWVHA-KUHUBIRLSA-N 317.429 2.556 0 50 DFAA CCc1csc(CNC(=O)[C@H](C)n2ccnc2C(C)C)n1 95371154 YAECHBDFKLEELJ-NSHDSACASA-N 306.435 2.903 0 50 DFAA CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)O)C2)cc1 269166023 FOPZERDYMHYRKS-HRCADAONSA-N 301.386 2.847 0 50 DFAA CN(C)[C@@H](C(=O)NCC1=CCCCC1)c1ccc2c(c1)OCO2 252509452 YOBWFIRAIUAINA-QGZVFWFLSA-N 316.401 2.635 0 50 DFAA C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@@]3(O)C[C@H](O)CC[C@]3(C)[C@H]1CC2 257345761 IFRIPYPBJCUNAG-JAWYYKAHSA-N 308.462 2.866 0 50 DFAA CN(CCCOc1cccc(Cl)c1)C(=O)c1cccc(N)n1 269658872 FGOWKTQGAZOYQX-UHFFFAOYSA-N 319.792 2.858 0 50 DFAA Cc1ccc2c(NC(=O)N3CCN4CCC[C@H]4C3)cccc2n1 299787625 OKYMAYKARZQTPM-AWEZNQCLSA-N 310.401 2.855 0 50 DFAA CO[C@@H]1CC[C@@]2(OC)CCN(CCc3cccc(C)n3)[C@H]2C1 299778136 LVPNYGNNVZMEKR-FGTMMUONSA-N 304.434 2.591 0 50 DFAA C[C@H](Cn1cccn1)C(=O)N(C)CCn1ccc2ccccc21 827627991 HAKNCUPQHQNXKZ-OAHLLOKOSA-N 310.401 2.633 0 50 DFAA C[C@H](CCn1cccn1)N1CCC(Oc2ccncc2)CC1 584891016 YKQDLGKUZPAKFH-OAHLLOKOSA-N 300.406 2.600 0 50 DFAA C/C=C/C[C@H]1CCCN(C(=O)c2ccc(OCC(=O)O)cc2)C1 630306680 WWADUNOSJUGXOJ-HSWBROFVSA-N 317.385 2.968 0 50 DFAA CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)/C=C/CN(C)C 1875375345 AAGNNOPCHHJWDE-MRYAYROQSA-N 316.445 2.572 0 50 DFAA O=C(c1ccc(CN2CCCC2)cc1)N1CCOC[C@H]1C1CC1 270601843 YDBPLBDNOOGXOY-SFHVURJKSA-N 314.429 2.533 0 50 DFAA CSC1(C(=O)Nc2nc3cc4c(cc3s2)OCO4)CC1 1875297527 VHFGYIBFPVGQKG-UHFFFAOYSA-N 308.384 2.859 0 50 DFAA CC(C)Oc1cncc(C(=O)NC2(c3ccccc3)COC2)c1 888566544 YXGUMHYKIVGUPJ-UHFFFAOYSA-N 312.369 2.524 0 50 DFAA COc1cc(C(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)sn1 888831724 SHXHVXKIJVVZJL-ZBEGNZNMSA-N 315.398 2.698 0 50 DFAA O=C(NCc1ccc2nonc2c1)N[C@@H](c1cccnc1)C1CC1 893882155 FNOFQBPTIUJRPU-MRXNPFEDSA-N 323.356 2.568 0 50 DFAA CC(C)c1nc([C@@H]2CCCN(c3cccc4nncn34)C2)no1 892184965 BUKJQPRZPKKRNT-GFCCVEGCSA-N 312.377 2.620 0 50 DFAA C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1c(O)cc(F)cc1F 1775999056 PEDKYCCPKWYMOZ-MWLCHTKSSA-N 315.316 2.583 0 50 DFAA Cc1cnc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)s1 276975634 QUDDPFSVCOXPBY-AAEUAGOBSA-N 320.418 2.945 0 50 DFAA CCC[C@@H]1CCCCN1C(=O)NCc1c(CC)nn(C)c1OC 186702038 HOPJZVDABHMNHW-CYBMUJFWSA-N 322.453 2.855 0 50 DFAA Fc1cccnc1OC1CCN(CCc2cccnc2)CC1 278372068 SQNCMHLDQHGZBG-UHFFFAOYSA-N 301.365 2.702 0 50 DFAA O=C(CNc1ncnc2ccc(F)cc12)NCCc1ccccc1 170600288 FLLGKOACERXUJJ-UHFFFAOYSA-N 324.359 2.540 0 50 DFAA O=C(Nc1cnn(-c2ccncc2)c1)c1noc2c1CCCCC2 681983350 MHVDLUAXPWFKNF-UHFFFAOYSA-N 323.356 2.777 0 50 DFAA O=C(NC1CCC(F)(F)CC1)N1CCO[C@H](c2ccco2)C1 408022392 WQBLYVNWLYCNRZ-ZDUSSCGKSA-N 314.332 2.940 0 50 DFAA Cc1cc(CN(C)C2(CO)CCOCC2)c2ccccc2n1 190997251 OTCYRAUOGZQAPL-UHFFFAOYSA-N 300.402 2.517 0 50 DFAA CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CC(C)(C)C1 412841270 OTJOPWCYCBPBER-UHFFFAOYSA-N 309.431 2.741 0 50 DFAA O=C(NCc1nc2cccnc2[nH]1)Nc1cc(F)cc(F)c1 193718034 YQVHJOIBDLRCFL-UHFFFAOYSA-N 303.272 2.558 0 50 DFAA Cc1n[nH]c(C)c1CCc1nnc2n1C[C@H](c1ccccc1)C2 1800413140 BQGKULPDAGVTGF-OAHLLOKOSA-N 307.401 2.743 0 50 DFAA c1ccc(C[C@@H]2Cc3nnc(-c4cc(C5CC5)[nH]n4)n3C2)cc1 1775981574 AWOCXJNKIGNMIT-CYBMUJFWSA-N 305.385 2.961 0 50 DFAA Cn1c(SCc2ccc(Cl)cc2)nc2c(=O)[nH]cnc21 12427871 GHBGIGNVHCVPTD-UHFFFAOYSA-N 306.778 2.602 0 50 DFAA biogenic,in-vitro O=C(O)Cc1cccc(F)c1-c1ccc([C@H]2CNC(=O)C2)cc1 1875249928 KDJMMYUDZZNZKA-CQSZACIVSA-N 313.328 2.723 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)O 237533925 VWCKFAMUKVOQHR-KGLIPLIRSA-N 305.374 2.700 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)o1 237979691 AYDCFQZMWXFBFH-ZDUSSCGKSA-N 317.316 2.964 0 50 DFAA Fc1cccc(NCc2nnc3n2C[C@H](C(F)(F)F)CC3)n1 378228579 DVXXDMAZIPDBHG-MRVPVSSYSA-N 315.274 2.549 0 50 DFAA CC(C)(C)c1cc2c(O)nc(-c3cc(N)ncn3)nc2s1 585086354 ICEDZDIPJDBADZ-UHFFFAOYSA-N 301.375 2.734 0 50 DFAA C[C@@]1(NC(=O)c2cc(F)cc3cccnc23)CN2CCC1CC2 585139323 BRFJJMQJOOKUCN-GOSISDBHSA-N 313.376 2.588 0 50 DFAA Cc1cccc(C(=O)N2CCC(NC3CCOCC3)CC2)c1C 904217942 XPXDMCLEXCUPKV-UHFFFAOYSA-N 316.445 2.677 0 50 DFAA O=C(O)Cc1occc1C(=O)N1CCC[C@H]1c1cccs1 828531078 RZSHDCJNJJUOBM-NSHDSACASA-N 305.355 2.946 0 50 DFAA Cc1ccc([C@H](O)CN2CCC(Cc3noc(C)n3)CC2)cc1 932245320 XIFLZSWBOGAVEW-QGZVFWFLSA-N 315.417 2.675 0 50 DFAA CN(Cc1ccc(O)cc1)C(=O)C[C@H]1CC(=O)Nc2ccccc21 934435015 JXYQKDQBYJQTKI-CQSZACIVSA-N 324.380 2.867 0 50 DFAA CCn1cc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 1432477 SQWHGOJOXUWUPB-UHFFFAOYSA-N 306.753 2.767 0 50 DFAA Cc1cccc(CN(CCC(=O)O)C(=O)N2CC=CCC2)c1 2325794771 QMRBVJRWRJOOHU-UHFFFAOYSA-N 302.374 2.654 0 50 DFAA CN(Cc1cc(F)cc(F)c1)C(=O)[C@H]1CCC2(CCC2)CN1 2325801736 UFOJJETTZDCYEB-OAHLLOKOSA-N 308.372 2.846 0 50 DFAA C[C@@H]1C[C@H]1NS(=O)(=O)c1csc(-c2ccc(F)cc2)n1 1857798611 QSFWXAXLJRZEMC-LDYMZIIASA-N 312.391 2.636 0 50 DFAA COc1ccc(OC)c(NC(=O)CCN2CCC[C@H](C)C2)c1 256601 YVHQGBQMZABFIK-ZDUSSCGKSA-N 306.406 2.764 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2ccc(CN3CCCC3)o2)CC1 2356136318 PKATXXLCTQPMGY-HDJSIYSDSA-N 306.406 2.563 0 50 DFAA COc1ccc(C)cc1NC(=O)COc1ccc2c(c1)OCO2 3333938 QPRNMGQTOVWFFA-UHFFFAOYSA-N 315.325 2.750 0 50 DFAA C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc(F)cc1 2356166320 SOYVQUMWWPISJD-QKCSRTOESA-N 308.353 2.829 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Cl 4309832 YFCPESVLCCUKEQ-ZDUSSCGKSA-N 308.765 2.921 0 50 DFAA CCCN1CCC(NC(=O)Nc2cc(C)ccc2OC)CC1 6726854 PEFRYDAHAMVYRX-UHFFFAOYSA-N 305.422 3.000 0 50 DFAA CCOC(=O)c1ccc(NC(=O)CN2CCC[C@@H](C)C2)cc1 6730984 FUPHKWISZAZQMD-CYBMUJFWSA-N 304.390 2.534 0 50 DFAA Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)n1 247935496 SDJCCUTUPUFNJJ-OKZBNKHCSA-N 324.428 2.690 0 50 DFAA CC[C@@H](CO)N(Cc1cccs1)C(=O)c1cnccc1C 55119165 BVBVWKQTSZGEQD-ZDUSSCGKSA-N 304.415 2.865 0 50 DFAA c1cc2c(c3c1C[C@@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2 20470298 UXYJCYXWJGAKQY-OAHLLOKOSA-N 323.348 2.800 0 50 DFAA biogenic,in-vitro C[C@H]1CC(=O)c2cc(C(=O)NC3CCCCCC3)c(=O)[nH]c2C1 67631026 YDECEQLQIXLQMR-LLVKDONJSA-N 316.401 2.593 0 50 DFAA C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1cnc2n1CCCC2 67805526 IZZBUKODFAGBQN-JTQLQIEISA-N 321.327 2.904 0 50 DFAA CCCC(CCC)S(=O)(=O)Cc1nccc(OC)c1OC 350217455 IJIPICJDWWXZOU-UHFFFAOYSA-N 315.435 2.982 0 50 DFAA Cc1cc(NC(=O)CN2CC[C@H](C)C[C@H]2c2ccco2)n(C)n1 110642771 FIGWGJORCILYJG-JSGCOSHPSA-N 316.405 2.733 0 50 DFAA CC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1C 252539896 OQITZSFTBZIJKT-OAHLLOKOSA-N 308.809 2.666 0 50 DFAA C[C@H](c1ccncc1)N(C)CC(=O)Nc1ccc(Cl)cn1 179137963 BYKVLQKLDIDLLB-LLVKDONJSA-N 304.781 2.762 0 50 DFAA O=C(NCc1cnc[nH]1)c1cc(-c2ccc(Cl)cc2)c[nH]1 426869906 XIDHYSXMBBTHNI-UHFFFAOYSA-N 300.749 2.988 0 50 DFAA COc1cccc(CCCN2C(=O)N[C@H](CC(C)C)C2=O)c1 121897236 RBHSEQLNNURFMR-OAHLLOKOSA-N 304.390 2.594 0 50 DFAA CC[C@]1(c2ccc(Cl)cc2)N=C(O)N(c2cccnn2)C1=O 328595390 TVQZLJDDBFJAPD-OAHLLOKOSA-N 316.748 2.696 0 50 DFAA Cc1nc(-c2coc(CN3CCOCC3)c2)n(-c2ccccc2)n1 65386163 MPKJTDPTHGUZQE-UHFFFAOYSA-N 324.384 2.668 0 50 DFAA CCc1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)n[nH]1 328625245 KNGGUPVCRWQCJW-LLVKDONJSA-N 318.446 2.929 0 50 DFAA Cc1cc(C)nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 67851340 BPIHFORWNXIYLU-UHFFFAOYSA-N 323.375 2.998 0 50 DFAA CCOC(=O)c1c[nH]c2ccc(OC(F)(F)Cl)cc2c1=O 86821 NUJJKOHGDKUUPA-UHFFFAOYSA-N 317.675 2.873 0 50 DFAA COCCN1CC[C@@H](CN(C)C(=O)c2ccc(Cl)c(C)c2)C1 67948042 WVINBGZMCWILLX-AWEZNQCLSA-N 324.852 2.689 0 50 DFAA Cn1c(NC(=O)c2ccc(C(=O)O)cc2)nc2cc(F)ccc21 357432663 FDNUXFKYXQCBSR-UHFFFAOYSA-N 313.288 2.663 0 50 DFAA COC1(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCCC1 329408742 DGTLJBDJBXEDEO-CQSZACIVSA-N 304.438 2.821 0 50 DFAA Nc1ccnc(CN2CCC([C@H](F)c3ccccc3F)CC2)n1 367144895 QEBXJHIEIMIAGP-KRWDZBQOSA-N 318.371 3.121 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(CN(C)C)ccn1 331113851 KNCBVMWHTRNJAX-HIFRSBDPSA-N 305.422 2.677 0 50 DFAA O[C@H]1CCN(Cc2ncnn2-c2ccccc2)Cc2ccccc21 369189526 RZGHEARTMMLVKV-SFHVURJKSA-N 320.396 2.707 0 50 DFAA O=C(CCC1CCCC1)N1CCN(c2nnc(C3CC3)o2)CC1 333520309 ZEERFKHCELJMJE-UHFFFAOYSA-N 318.421 2.566 0 50 DFAA COc1ccc2c(c1)OCCN(c1nc(O)c3ccccc3n1)C2 374528770 GFMYKWBYQIWXAC-UHFFFAOYSA-N 323.352 2.743 0 50 DFAA O=C(c1ccc2ncccc2c1)N1CCO[C@@H](C(F)(F)F)C1 72168910 SLSLSVLBAMBFQN-CYBMUJFWSA-N 310.275 2.638 0 50 DFAA Cc1sc2nc(CNC(=O)c3cc(C4CC4)[nH]n3)cn2c1C 215894487 GBNLWISUEFUOSK-UHFFFAOYSA-N 315.402 2.543 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)NC3(C)CCOCC3)cc2)n1 130258426 DPHNOMJGUJQYAV-UHFFFAOYSA-N 313.401 2.788 0 50 DFAA NCCc1cccc(CN2CCC[C@@H](CN3CCCCC3)C2)c1 77506123 RCRWFUZMCRMXEU-FQEVSTJZSA-N 315.505 2.886 0 50 DFAA COCC1(CNC(=O)[C@H](c2ccccc2C)N(C)C)CCCC1 219807744 IVJUXDVTKSHSHS-KRWDZBQOSA-N 318.461 2.921 0 50 DFAA Cc1c(F)cccc1[C@@H]1c2nc[nH]c2CCN1Cc1ncc[nH]1 72431533 YYOUSKDDDBQDEC-QGZVFWFLSA-N 311.364 2.728 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1cccs1 239667654 BRAWNQFJFUOBMD-BNOWGMLFSA-N 307.415 2.925 0 50 DFAA CCn1nc(C)c(CCNc2cc(C)nc3cc(C)nn23)c1C 72428783 BOTXWBONDJNGOQ-UHFFFAOYSA-N 312.421 2.834 0 50 DFAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1n[nH]c2ccccc12 215576979 ZSRSPHQXFQBHDT-CYBMUJFWSA-N 307.353 2.639 0 50 DFAA CCC(=O)N1CC[C@@H](NC(=O)c2coc3ccc(CC)cc23)C1 286766165 NCLAUEWOWQVKFH-CYBMUJFWSA-N 314.385 2.736 0 50 DFAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1cccc(Cn2cccn2)c1 18069317 FMALHHLASOBVKX-IYBDPMFKSA-N 309.369 2.611 0 50 DFAA Cc1ccccc1C(C)(C)C(=O)N1CCC(n2cncn2)CC1 194709191 VFGJCVZOOXEZEJ-UHFFFAOYSA-N 312.417 2.728 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1COc2ccccc2O1 45761321 FFYLFHPUJDPTFM-QGZVFWFLSA-N 321.336 2.651 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N1CCC(NC(=O)C2CC2)CC1 177862468 ZPNVMHCXMLDUNU-UHFFFAOYSA-N 320.820 2.779 0 50 DFAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 226058918 JBKUPYOUMTYOAH-TVFCKZIOSA-N 317.344 2.796 0 50 DFAA CCCCCCNC(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 426697270 CTQZKCZEFPDYDA-HNNXBMFYSA-N 321.396 2.589 0 50 DFAA CCN1CCC[C@@H]1Cn1ccc2c(OC)c(OC)ccc2c1=O 95382077 JDFKCXMWTNSZDK-CYBMUJFWSA-N 316.401 2.503 0 50 DFAA CSc1ccc([C@H](C(=O)O)N(C)CCN2CCCC2)cc1 95383205 JTVZCISHRIOUMY-OAHLLOKOSA-N 308.447 2.562 0 50 DFAA COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccnn1C 96164889 QHZGQSXPKSBJHQ-ZDUSSCGKSA-N 300.362 2.798 0 50 DFAA O=C1CCc2ccccc2N1Cc1nnc(-c2cccnc2)o1 95531160 HKNGZVVSVXSXKR-UHFFFAOYSA-N 306.325 2.611 0 50 DFAA O=C(Cc1ccc(F)c(F)c1)N1CCC[C@](CO)(CC2CC2)C1 91877205 UHZFSFYHOXLNFZ-SFHVURJKSA-N 323.383 2.909 0 50 DFAA CCN(C)c1ccnc(C[C@H]2COc3c(cccc3OC)C2)n1 95510472 VCWNFEZAZIIDEU-ZDUSSCGKSA-N 313.401 2.735 0 50 DFAA O=C(O)C[C@@H](c1ccccc1)C1CCN(C(=O)C2CC2)CC1 621545545 VAMOPGNFTTYYDK-INIZCTEOSA-N 301.386 2.894 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)CCO1 621882447 NTYWOIAKDYDHLJ-OAHLLOKOSA-N 313.401 2.596 0 50 DFAA O=C(c1ccc(Cl)cc1O)N1CCCC[C@@H]1c1nc[nH]n1 182105301 MSZYDARCXGQMNU-LLVKDONJSA-N 306.753 2.531 0 50 DFAA O=C(Nc1cccc2[nH]nnc12)N[C@@H]1COC2(CCCCC2)C1 299792944 GITYZKOCNHZPQR-NSHDSACASA-N 315.377 2.571 0 50 DFAA CN1CCCCC[C@@H]1c1ncnn1-c1ccccc1C(=O)O 670464145 FCMMTBPTHZNBRM-CQSZACIVSA-N 300.362 2.512 0 50 DFAA C[C@@H](CN1CCCC1=O)Nc1nc(Cl)nc2sccc12 872416902 BAYYXSSWMSHGEW-QMMMGPOBSA-N 310.810 2.768 0 50 DFAA O=C(O)c1cccc(C(=O)N2CCc3cc(F)cc(F)c32)c1 1875257280 BNSIXKJDWMZDAJ-UHFFFAOYSA-N 303.264 2.866 0 50 DFAA CC(=O)N[C@@H](C)CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 952980018 DZSJVKMKBXSUHZ-LBPRGKRZSA-N 319.405 2.524 0 50 DFAA CC[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccnn2C)c1C 952963431 JZEUAUVWCXJDPA-NSHDSACASA-N 314.389 2.965 0 50 DFAA O=C(c1cncc2nc[nH]c12)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831497 OEWXXISCXXRBDL-SGTLLEGYSA-N 319.368 2.504 0 50 DFAA Cc1cccc(CC2(O)CCN(c3cccc4nncn34)CC2)c1 893619923 DMFZBISQDGHGKL-UHFFFAOYSA-N 322.412 2.612 0 50 DFAA CCCCCC(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 186811809 MIVJKKMHTCTPJI-UHFFFAOYSA-N 322.380 2.817 0 50 DFAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(C(C)(C)O)cc1 408474233 LNCHPNZMDGNXQR-IRXDYDNUSA-N 319.445 2.981 0 50 DFAA COc1ccc(CNS(=O)(=O)Cc2ccc(C)cc2F)cc1 170613275 BXTUODPFXLJVBU-UHFFFAOYSA-N 323.389 2.762 0 50 DFAA Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)CCC2 170617151 ORIFKWVGYOGVNH-UHFFFAOYSA-N 321.354 2.576 0 50 DFAA O=C(c1cc2nccnc2cc1F)N1CCO[C@H]2CCCC[C@@H]21 279395175 URJMODGDIZOZGW-HOTGVXAUSA-N 315.348 2.553 0 50 DFAA O=C(c1cc2nccnc2cc1F)N1CCO[C@@H]2CCCC[C@@H]21 279395184 URJMODGDIZOZGW-JKSUJKDBSA-N 315.348 2.553 0 50 DFAA CO[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1cccc(Cl)c1 110631442 SSGOYQGEWZNWGX-KBUPBQIOSA-N 309.793 2.711 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cccc3cccnc23)C1 643773301 RQKNPEHJVYBQJR-CVEARBPZSA-N 308.385 2.920 0 50 DFAA C[C@@H](O)[C@](C)(CNC(=O)c1cscn1)Cc1ccccc1 192038934 LUXUXXBFDBMFBN-WBMJQRKESA-N 304.415 2.503 0 50 DFAA C[C@@H]1C[C@H](NC(=O)c2ccoc2Cl)C(=O)N1c1ccccc1 192322049 ODQHBPPUUCSCOJ-MFKMUULPSA-N 318.760 2.857 0 50 DFAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cccs1 710003220 IOICBGOLEKRNKF-GJZGRUSLSA-N 317.410 2.852 0 50 DFAA O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCN(c2ccccn2)C1 194259499 VBMZYQDCYTYDOS-OAHLLOKOSA-N 321.384 2.963 0 50 DFAA COCc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1 195235591 MCWRWLGMLVQLSM-HNNXBMFYSA-N 310.353 2.898 0 50 DFAA O[C@@H](C1CCN(c2ncc(Cl)s2)CC1)C(F)(F)F 680896993 QMQVAYSIEVHDMB-QMMMGPOBSA-N 300.733 2.936 0 50 DFAA C[S@](=O)(=NC(=O)C1CC1)c1ccccc1Br 1616039512 PPAAEAVUZXIRHY-MRXNPFEDSA-N 302.193 2.842 0 50 DFAA CN1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 12381175 LZPAIUHCKPBOEV-UHFFFAOYSA-N 310.825 2.708 0 50 DFAA O=C(CCc1ccccc1)Nc1nnc([C@@H]2CCCO2)s1 19912247 ITODZIFQZSDXHZ-LBPRGKRZSA-N 303.387 2.961 0 50 DFAA CO[C@@H]1CC[C@H](c2nc(C)nn2-c2ccc(Cl)cc2)C[C@H]1N 1857718135 AHDRIQXCHAWPSV-NILFDRSVSA-N 320.824 2.839 0 50 DFAA Cc1nc(NC(=O)c2c[nH]c(=O)cn2)cc(-c2ccccc2)c1C 1857736106 KYGURHRKARTOBQ-UHFFFAOYSA-N 320.352 2.701 0 50 DFAA CC(C)(C)C(=O)Nc1cccc(I)n1 4352658 IQGOXDICYLCUCO-UHFFFAOYSA-N 304.131 2.671 0 50 DFAA in-vitro NCCc1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)cc1 324120723 SOHWOOULYITNIV-IBGZPJMESA-N 308.425 2.609 0 50 DFAA CCn1c(C(=O)N2CCCC[C@@H]2C(=O)O)cc2ccccc21 237197262 FVJVPJHLOWKHON-CQSZACIVSA-N 300.358 2.741 0 50 DFAA COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1OC 14758732 NQRBAPDEZYMKFL-NSHDSACASA-N 302.326 2.834 0 50 DFAA endogenous,in-man O=C([C@@H]1CCc2cc(F)ccc21)N1CCC(c2ncc[nH]2)CC1 667652004 PINGCALXVRYGOV-MRXNPFEDSA-N 313.376 2.985 0 50 DFAA CC(=O)N1CC[C@@](C)(c2nc(-c3cccc4[nH]ccc34)no2)C1 363951029 GLFCONVDDPRIAM-QGZVFWFLSA-N 310.357 2.728 0 50 DFAA CSC[C@H](C)C(=O)NCc1nc(-c2ccccn2)cs1 585130332 NDNKOSQUPZBLEI-JTQLQIEISA-N 307.444 2.820 0 50 DFAA Oc1ncc(F)c(SCc2csc([C@H]3CCCO3)n2)n1 1875282084 MAUCUBKCFDOJTI-SECBINFHSA-N 313.379 2.922 0 50 DFAA CCc1onc(C)c1NC(=O)NC[C@](C)(O)c1cccc(F)c1 930574565 WRVHHWWENQZMNS-INIZCTEOSA-N 321.352 2.714 0 50 DFAA C[C@H](NC(=O)c1cccc2c1OCCNC2)[C@]12CCCC[C@@H]1C2 2325768751 ILABAFZICOLCGQ-ZBQZNYHESA-N 314.429 2.867 0 50 DFAA Cc1nc([C@@H](C)O)n(CCn2ccc3cc(Cl)ccc32)n1 2325777445 BYTWUKCJPZUHNK-SNVBAGLBSA-N 304.781 2.948 0 50 DFAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)NCC1CC(C(F)F)C1)C2 2325778612 GJXPZQMUKSTEDP-RPFQZYLTSA-N 312.335 2.878 0 50 DFAA Cc1cccn2c(NC(=O)CCc3ccccc3CN)cnc12 2325857167 RLNGKKOPXJRHTP-UHFFFAOYSA-N 308.385 2.673 0 50 DFAA COc1ccc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)c(OC)c1C 228672 VLUXWGUBKSTGFP-UWWQBHOKSA-N 305.418 2.968 0 50 DFAA Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 314453 BBMIHOIYNJHKSI-UHFFFAOYSA-N 315.804 2.885 0 50 DFAA O=C1CCC(=O)[C@@H](C(=O)CCC(=O)Nc2ccc(Cl)cc2)C1 408490 XAJMFMHMAHICBS-ZDUSSCGKSA-N 321.760 2.566 0 50 DFAA CCN(CC)CCCNC(=O)c1cc(-c2ccccc2)on1 2863630 FSDIEMVWQYMWEM-UHFFFAOYSA-N 301.390 2.803 0 50 DFAA COc1ccc(Cn2cc(-c3cnc4cnccn34)cn2)cc1 2356168981 RFIDEVZFJANVSG-UHFFFAOYSA-N 305.341 2.650 0 50 DFAA CCOc1ccc(C(=O)NCc2cccnc2)c(OCC)c1 6699437 HEBKVWNRSDFDHQ-UHFFFAOYSA-N 300.358 2.809 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 8995787 OARSHJLYVUGIGS-SECBINFHSA-N 324.167 2.859 0 50 DFAA Cc1nn([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1C 100628328 SHKKPWNIJOZJTN-CQSZACIVSA-N 317.776 2.966 0 50 DFAA Cc1cc(C(=O)N2CCc3[nH]nc(-c4cccs4)c3C2)no1 23232143 LVGUKKQVIBQHAH-UHFFFAOYSA-N 314.370 2.633 0 50 DFAA CC(C)(C)c1ncc(/C=C/C(=O)N2CCCC[C@H]2C(=O)O)s1 136526560 ZRTYCQMBLXWLJN-GUOLPTJISA-N 322.430 2.920 0 50 DFAA C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C[C@@H](O)C2=O 25723214 HLQYTKUIIJTNHH-NMTBMHBSSA-N 306.446 2.930 0 50 DFAA endogenous,in-man CCCN(Cc1ccncc1)C(=O)[C@H]1COc2ccccc2O1 67650749 NJNHZXRCLJEJFU-QGZVFWFLSA-N 312.369 2.660 0 50 DFAA CC(C)N1CCC(N2CCC(CNC(=O)C(C)(C)C)CC2)CC1 67982752 MBOMBFRYFPROIT-UHFFFAOYSA-N 323.525 2.734 0 50 DFAA CCOc1ccccc1[C@@H]1SCC(=O)Nc2[nH]nc(C)c21 21525087 VSFULCBOVUPSQO-AWEZNQCLSA-N 303.387 2.892 0 50 DFAA Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccncc1F 120857686 BCKXEJAQAXOUFA-UHFFFAOYSA-N 300.742 2.983 0 50 DFAA CCOc1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)cc1 20168223 JVHKXRHUJNQAKG-HZPDHXFCSA-N 323.433 2.590 0 50 DFAA Cc1cc(=O)c(C(=O)NCCCSC2CCCCC2)c[nH]1 1506423860 GKVMYBDLBLDQGK-UHFFFAOYSA-N 308.447 2.869 0 50 DFAA Cc1cc(C)nc(N2C[C@H](CSc3ccccn3)OC2=O)n1 65365869 CRENEJHHMQLWCG-GFCCVEGCSA-N 316.386 2.606 0 50 DFAA CCN(Cc1cnn(CC)c1)Cc1nc(-c2ccco2)no1 65526615 FRWGZLRSBCYHQM-UHFFFAOYSA-N 301.350 2.568 0 50 DFAA COc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](N)C2)cc1 237357908 ZAGNAUTYPCNDEG-CYBMUJFWSA-N 311.385 2.612 0 50 DFAA CC1(C)CNCC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 449700539 UDHAYWFQTQRNJW-OAHLLOKOSA-N 318.465 2.633 0 50 DFAA Clc1cccn2c(-c3ccc(Sc4ncn[nH]4)o3)nnc12 32540562 KCIPBUVBQGANTA-UHFFFAOYSA-N 318.749 2.912 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)ccc1F 262046014 CKEDZSYNQJIBNH-NSHDSACASA-N 319.254 2.924 0 50 DFAA C[C@@H]1CCc2c(C(=O)Nc3c[nH]c(C(N)=O)c3)csc2C1 176749501 LQLMKBKTDRMUBP-MRVPVSSYSA-N 303.387 2.552 0 50 DFAA COC[C@H](O)CN[C@@H](Cc1cccnc1)c1cccc(Cl)c1 338789969 ITPHMXPUIMKBCZ-SJORKVTESA-N 320.820 2.616 0 50 DFAA Cc1ccc2[nH]c(CCNc3cc(C4CC(N)C4)ncn3)nc2c1 219896327 OEKCATQGBHIDPO-UHFFFAOYSA-N 322.416 2.521 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136310904 XOUZCEVFACJLOS-UOVKNHIHSA-N 303.358 2.689 0 50 DFAA CC(=O)N(C)Cc1nc(C2(c3cc(F)ccc3C)CC2)no1 289042939 HCKBOXUEWHXDKT-UHFFFAOYSA-N 303.337 2.575 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N(C)[C@H](C)c1cncs1 82137628 ZRPFDVULOMBWRP-GFCCVEGCSA-N 306.435 2.646 0 50 DFAA Cc1nc(CCN[C@H]2COc3ccccc3C2)nc2c1CCCC2 199292729 IFZBLOWOVUVEDW-MRXNPFEDSA-N 323.440 2.800 0 50 DFAA CCOc1ccccc1CCC(=O)N1CCC[C@H]([C@@H](C)N)C1 236906737 SVROPWWJPHAQET-ZBFHGGJFSA-N 304.434 2.604 0 50 DFAA CCCn1ncc(C(=O)N(CC(=O)O)C2CCCCCC2)c1C 95523891 BFUJPUVMIFVOBE-UHFFFAOYSA-N 321.421 2.851 0 50 DFAA Fc1ccc(C2(c3noc([C@@H]4COCCO4)n3)CCC2)cc1 621810398 JSIBOIGKUUBKJL-ZDUSSCGKSA-N 304.321 2.767 0 50 DFAA CCOCCOc1cccc(-c2nc([C@H]3CCOC3)no2)c1 96152997 HQEKHNPORWMXOO-ZDUSSCGKSA-N 304.346 2.656 0 50 DFAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1ccon1 97413172 CUNRXSQRWNPAIR-HNNXBMFYSA-N 319.792 2.895 0 50 DFAA CSCC1CCN(CCC(=O)NCc2ccccc2F)CC1 244673543 HQYGCQWAQHXYLQ-UHFFFAOYSA-N 324.465 2.907 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 299743128 LYOXICPDQBCROP-SECBINFHSA-N 320.732 2.542 0 50 DFAA Cc1ccc(C[C@H](C)C(=O)NC2CCC(C(=O)O)CC2)cc1 261990703 CUYXSGGUFCRLPJ-JEYLPNPQSA-N 303.402 2.933 0 50 DFAA CCc1nc(C)c(C(=O)NCc2nc3c(C)c(C)ccc3[nH]2)o1 299800750 YDCDETNIDBFCJU-UHFFFAOYSA-N 312.373 2.969 0 50 DFAA O=C(NC[C@H](C(=O)O)C1CCCCC1)c1cc(C2CC2)no1 630267317 ORKSUZVIPUQKMF-LBPRGKRZSA-N 306.362 2.563 0 50 DFAA COc1ccc([C@@H](NC2CCN(C)CC2)c2ccncc2)cc1 584903403 DDJREWQXIRVVPA-LJQANCHMSA-N 311.429 2.863 0 50 DFAA CC(=O)c1cc(CN2CCN(c3ccccc3)C[C@@H]2C)n(C)c1 670451061 FWXRTQOQAKIMOF-HNNXBMFYSA-N 311.429 2.938 0 50 DFAA C[C@]1(c2nc(-c3ccc(N4CCC(N)CC4)cc3)no2)C[C@@H]1F 1875266422 MQVIRESFPWIRIU-YOEHRIQHSA-N 316.380 2.664 0 50 DFAA C[C@@H](CF)C(=O)NC[C@@H]1CCC[C@H](Cn2cc(C3CC3)nn2)C1 1875323182 AIACDDPRNJRXPR-MJBXVCDLSA-N 322.428 2.684 0 50 DFAA C[C@H](CNC(=O)Cc1cccc(F)c1F)c1ncccc1F 1875308446 GRIKRRCCLLHMCY-SNVBAGLBSA-N 308.303 2.961 0 50 DFAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)c1cnccn1 952983329 KFCGLYFQVSPOES-UHFFFAOYSA-N 319.368 2.877 0 50 DFAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(C(C)C)=NO2)cc1 952865175 PLLCMINHPCBBNN-HNNXBMFYSA-N 317.389 2.564 0 50 DFAA Cc1cc(C(=O)O)nn1-c1c(F)ccc(Br)c1F 958719501 CBDDDUYQHQOMMO-UHFFFAOYSA-N 317.089 2.920 0 50 DFAA Cc1cc(CN[C@H](C)Cn2ncc3ccccc3c2=O)cc(C)n1 1308335791 WZMWIIXBLKCJPX-OAHLLOKOSA-N 322.412 2.587 0 50 DFAA Cc1nnc(N2CCC[C@]3(C=Cc4ccccc4O3)C2)nc1C 896886137 RTDPOJXFCPNAQI-SFHVURJKSA-N 308.385 2.933 0 50 DFAA COc1ccc(OC)c(CN(C)C(=O)c2ncoc2C2CC2)c1 1775986225 NLLULQKAQHEPJN-UHFFFAOYSA-N 316.357 2.841 0 50 DFAA CC(C)c1nsc(CN[C@H](C)c2nnc3ccccn23)n1 1334772743 RHQBWEXKXABTGZ-SNVBAGLBSA-N 302.407 2.555 0 50 DFAA FC(F)n1ccnc1CNc1ncnc(-c2ccccc2)n1 1185007212 JZKFAHFUKHJEIV-UHFFFAOYSA-N 302.288 2.742 0 50 DFAA C[C@H](CNC(=O)c1cccc(F)c1Cl)N1CCCCC1=O 170619108 LGRWOQQWMICELT-SNVBAGLBSA-N 312.772 2.610 0 50 DFAA CCc1ccc([C@@H]2CN(C(=O)c3cc(C)[nH]c3C)CCN2)cc1 669724986 UMCFHRFCHSUHIA-SFHVURJKSA-N 311.429 2.981 0 50 DFAA O=C(C[C@H]1C=CCCC1)NCc1nnc(C2CC2)n1C1CC1 188089617 NDUIVTKUHPBWGZ-LBPRGKRZSA-N 300.406 2.853 0 50 DFAA CC(C)n1cc(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)cn1 408235477 DBSHBCMWMLZFLU-GJZGRUSLSA-N 311.451 2.711 0 50 DFAA Cc1cccc(Oc2cc(CNC(=O)C(C)(C)O)ccn2)c1C 408514650 MPODEWWEGZQMGA-UHFFFAOYSA-N 314.385 2.878 0 50 DFAA CCn1ncnc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 193415270 UNFIGPKRDYFBBL-CYBMUJFWSA-N 311.389 2.819 0 50 DFAA Cc1cnc(N(C)CCCn2ccnc2)c(Br)c1 194323804 BMVGOQPXQIVZLF-UHFFFAOYSA-N 309.211 2.876 0 50 DFAA CO[C@H](Cn1cc(C(N)=O)c(-c2ccccc2)n1)C1CCCC1 657249548 CABIPGZKJIPZMJ-MRXNPFEDSA-N 313.401 2.854 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2cccc(N(C)C)c2)s1 1529168585 GMMQTXQZZJUEMW-VIFPVBQESA-N 306.391 2.564 0 50 DFAA CCc1c(C)nn(C)c1NC(=O)c1cc2c(cc1C)OCCO2 1529099486 YFLXROZLEXCINU-UHFFFAOYSA-N 315.373 2.623 0 50 DFAA CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(N2CCC2)nc1 1615044200 AAQKLFMDDAKIHX-OAHLLOKOSA-N 310.401 2.700 0 50 DFAA COC(=O)c1ccc(N(C)C(=O)Cc2nc(C)sc2C)cc1 1615586583 CJFCFTDXAUPWTF-UHFFFAOYSA-N 318.398 2.752 0 50 DFAA C[C@@](O)(CN1CCCCC[C@H]1/C=C/c1ccccc1)C(=O)O 1616031806 UITDXOYWPHWXNO-XBOKISCZSA-N 303.402 2.780 0 50 DFAA COCCNc1ccccc1NC(=O)c1nncc2ccccc12 1638460847 JNMUAXFBJIVARZ-UHFFFAOYSA-N 322.368 2.940 0 50 DFAA C[C@]12C[C@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2 1772808292 LSRWCPCKAOQUBJ-APPDUMDISA-N 315.348 2.677 0 50 DFAA O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 13326117 OVOJDMBXPNKCHT-UHFFFAOYSA-N 301.317 2.569 0 50 DFAA O=C(c1ccc(F)cc1)N1CCCn2c1nc1ccccc1c2=O 13362396 UPKDLVSQMCCVIQ-UHFFFAOYSA-N 323.327 2.586 0 50 DFAA CCN(c1ccc(C(=O)NC2CCCCC2)cc1)S(C)(=O)=O 13677533 VOLJWBZMUWNVFD-UHFFFAOYSA-N 324.446 2.535 0 50 DFAA CCOC(=O)[C@@H]1C[C@H](F)CN(C(=O)OCc2ccccc2)C1 169805789 COSJPXSPSMFHDG-KGLIPLIRSA-N 309.337 2.546 0 50 DFAA COc1ccc2cc(-c3nccn3[C@H]3CN[C@H](CO)C3)ccc2c1 1857728692 MNOSHAQLLSLSKH-DLBZAZTESA-N 323.396 2.607 0 50 DFAA Cc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)n(C)n1 328616849 CDKDVIRCVSHTKO-LBPRGKRZSA-N 318.446 2.686 0 50 DFAA Cc1cn2c(n1)CC[C@H](NCc1ccc(Br)o1)C2 225567726 YPYOARQSXVLPSC-JTQLQIEISA-N 310.195 2.652 0 50 DFAA c1ccc2c(c1)OC[C@H](c1noc(C[C@@H]3C[C@H]4CC[C@H]3O4)n1)O2 333846456 OKSUNOYAFJLHKG-FUTJPDQTSA-N 314.341 2.692 0 50 DFAA CCn1cnc2c(Nc3cc(F)cc(N(C)C)c3)ncnc21 651433752 WCYRBNQWSTZJFA-UHFFFAOYSA-N 300.341 2.795 0 50 DFAA COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)cc1 239030661 CEVVVIXRBQLFKB-UOVKNHIHSA-N 301.342 2.547 0 50 DFAA COC(C)(C)C[C@@H](C)NC(=O)N1CCC(c2c[nH]cn2)CC1 241338577 MBZLCLWZZXLOSZ-GFCCVEGCSA-N 308.426 2.502 0 50 DFAA C[C@@](NC(=O)c1ccnc(C2CC2)c1)(C(=O)O)c1ccccc1 663142203 TVOXYEVEXLCQDL-SFHVURJKSA-N 310.353 2.689 0 50 DFAA C[C@]12CN(C(=O)Cc3ccc(C(=O)O)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 907884264 OVBAELOJXHWNHP-CYJAXWMASA-N 311.381 2.598 0 50 DFAA Cc1ccc(CN(C)C(=O)Nc2nnn(C(C)C)n2)cc1C 933456878 PTEOKEDUTMLFOR-UHFFFAOYSA-N 302.382 2.535 0 50 DFAA Cc1cccc2cc(C(=O)OC[C@H]3CCCNC3=O)sc12 835995078 PNIQXRKTZUNKIH-GFCCVEGCSA-N 303.383 2.893 0 50 DFAA OC[C@H]1C=C[C@@H](Nc2ncc(Cl)cc2Br)C1 225596190 NTHARPXVIYCYRT-IONNQARKSA-N 303.587 2.846 0 50 DFAA CC(C)[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H](c2ccccc2)O1 2100544776 JEDZKHQTCXUHPT-SJORKVTESA-N 313.401 2.577 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1 9088136 ZBUOVAQYTXOIPF-UHFFFAOYSA-N 308.334 2.640 0 50 DFAA C[C@@H](NC(=O)CCc1nccn1C)c1cccc2cccnc12 2325770178 OIFDBXUHXIHAAS-CYBMUJFWSA-N 308.385 2.778 0 50 DFAA CC(C)Oc1ccc(CN2C[C@H](CC(=O)O)OCC2(C)C)cc1 2325787908 BDPMLWUKOQJBDI-INIZCTEOSA-N 321.417 2.928 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CNC[C@H](C)C3)cc2)c1C 2325795507 JKJYSFUTVOLALE-DOMZBBRYSA-N 312.417 2.673 0 50 DFAA O=S(=O)(NC1([C@@H]2CCCCO2)CC1)[C@H]1C[C@@H]1c1ccccc1 2325819268 SMTSUTGLFFAYNN-PMPSAXMXSA-N 321.442 2.564 0 50 DFAA O=S1(=O)N=C(Nc2nc3ccccc3s2)c2ccccc21 150891 KYSOIHBXABPWLB-UHFFFAOYSA-N 315.379 2.857 0 50 DFAA CCNc1nc(NC(C)C)nc(Oc2ccc(C=O)cc2)n1 310782 RIQDJIJZMKAQBG-UHFFFAOYSA-N 301.350 2.729 0 50 DFAA Cc1ccc(OCCSc2nc3c(N)ncnc3[nH]2)cc1C 2908146 DYBHFRSLLSALTH-UHFFFAOYSA-N 315.402 2.723 0 50 DFAA Cc1ccc(CN(c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1 4703676 SDFTZUFSQFSXRN-UHFFFAOYSA-N 319.382 2.659 0 50 DFAA CC(C)c1cc(Br)ccc1OCCNC[C@H](C)O 4832314 NVVMJKRKBQNOPZ-NSHDSACASA-N 316.239 2.922 0 50 DFAA Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccncc2)c1C 4851524 AXSUOJQSNACTBN-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 4970439 KEZNYUQJUAAJRR-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10112330 XWBLSPHJPPLHFD-UHFFFAOYSA-N 319.382 2.973 0 50 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Cc1cccc(Cl)c1NC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 828038261 JNVPNWZLCBNQPB-ZYHUDNBSSA-N 307.781 2.590 0 50 DFAA COCCc1nc(-c2ccco2)nn1Cc1ccc(OC)cc1 584903193 QCXOGUNONPMGQA-UHFFFAOYSA-N 313.357 2.784 0 50 DFAA CCc1c(C)sc2ncn([C@@H](C)c3ncc(C)[nH]3)c(=O)c12 584887777 RWGZVOMVNGRRQI-VIFPVBQESA-N 302.403 2.970 0 50 DFAA CN(CC1(O)CCCC1)C(=O)c1cc(F)cc2cccnc12 271061925 KTVLEBKFWRYIOE-UHFFFAOYSA-N 302.349 2.751 0 50 DFAA Cc1nocc1C(=O)NCCN1CCC2(CCCCC2)CC1 868055588 LPEMHHWLNNYLOC-UHFFFAOYSA-N 305.422 2.759 0 50 DFAA O=C(N=c1[nH][nH]cc1C1CC1)Nc1ccc(Cn2ccnc2)cc1 1875342539 VUTUFBVYRMBWQT-UHFFFAOYSA-N 322.372 2.598 0 50 DFAA Cc1nccnc1N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952850343 KUDFPIIOJFEZNA-KGLIPLIRSA-N 312.421 2.657 0 50 DFAA Cc1cc(C(=O)N(C)CCCOc2ccccc2Cl)nn1C 952979562 HJNNWKBTRGEMRK-UHFFFAOYSA-N 321.808 2.923 0 50 DFAA Cc1cnn(CC2CCN(c3cccc([C@@H](C)O)n3)CC2)c1 892382541 RYIROGLLZQHTEL-CQSZACIVSA-N 300.406 2.556 0 50 DFAA CS[C@@H](C)Cc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 274082981 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O=C(O)c1nccnc1NC[C@H]1CCCN(C2CCCCC2)C1 1506417543 NMTYVYPHNYPJCQ-CYBMUJFWSA-N 318.421 2.631 0 50 DFAA CO[C@]1(C(=O)N2Cc3ccccc3C3(CCCC3)C2)CCOC1 1615578933 OJJFRGGOUWIAJU-LJQANCHMSA-N 315.413 2.646 0 50 DFAA O=C(CC[C@H]1CCCO1)Nc1ccc(-c2nnco2)c(F)c1 1615606002 REEOPWVQBJJOBH-LLVKDONJSA-N 305.309 2.773 0 50 DFAA Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc[nH]n1 5730192 QHBMELBZVLWNAE-UHFFFAOYSA-N 303.709 2.674 0 50 DFAA COc1ccc(NC(=O)NC(=O)c2ccccc2)c(OC)c1 400367 MCUHPMDFXXVBGQ-UHFFFAOYSA-N 300.314 2.666 0 50 DFAA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)C(C)(C)C)CC1 328618168 DLHWSBJIRWRUPE-GDBMZVCRSA-N 310.482 2.674 0 50 DFAA CC(C)[C@H]1N(C(=O)NCCc2cnn(C)c2)CC12CCCCC2 333962286 MVPFFXWQGVAGDZ-MRXNPFEDSA-N 318.465 2.963 0 50 DFAA COc1cccc([C@H]2CN(Cc3ccc(C(=O)O)o3)CCO2)c1 652409605 VEAYYERCCUIBEX-MRXNPFEDSA-N 317.341 2.560 0 50 DFAA C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O 246747235 HNENTWGZUPGHGS-NXOUGTEYSA-N 313.372 2.779 0 50 DFAA O=C(C1CC(F)(F)C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 674686575 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Cc1nc2c(NC[C@@H](N)c3ccc(F)cc3)ncnc2s1 2325857069 OCIASUIETXONNU-LLVKDONJSA-N 303.366 2.646 0 50 DFAA N[C@H](CCNC(=O)N[C@H]1C[C@H]1C1CCCC1)Cc1ccccc1 2325866376 IXMADDITAVPEHK-SQNIBIBYSA-N 315.461 2.824 0 50 DFAA CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 102325 KLMMFOXHAJZRGD-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA Cc1ccc([C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)cc1 551634 PIKGGCLYRHMFBN-CQSZACIVSA-N 304.371 2.699 0 50 DFAA COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2)c1C 1187861 MSZLUAVEAYZPRU-UHFFFAOYSA-N 304.371 2.986 0 50 DFAA Cn1cnc2cnc(-c3cc(CN)cc(C(F)(F)F)c3)nc21 2356145252 IERUVASRXWUICV-UHFFFAOYSA-N 307.279 2.508 0 50 DFAA c1ccc2c(CN3CCC[C@]4(CCc5c[nH]nc54)C3)n[nH]c2c1 2356159908 VEFHBDQTPIEZFO-SFHVURJKSA-N 307.401 2.766 0 50 DFAA CC(C)OC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 4027759 LSUJYLGSWXNZBY-UHFFFAOYSA-N 302.326 2.612 0 50 DFAA biogenic CCCCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1 6140618 TVQRCHSIUDZXAB-UHFFFAOYSA-N 320.414 2.739 0 50 DFAA CC1=C(C)C[C@@H](C(=O)NCc2ccccc2F)[C@H](C(=O)O)C1 6741727 PEJVPQAWKNAIBF-ZIAGYGMSSA-N 305.349 2.889 0 50 DFAA COc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 10542833 ULBDGPIPCSAWGS-GASCZTMLSA-N 304.434 2.793 0 50 DFAA Cc1cc(=O)[nH]c(SCCOc2ccc3c(c2)CCC3)n1 8666394 RATNAGBBCKDEKK-UHFFFAOYSA-N 302.399 2.738 0 50 DFAA aggregator Cc1ccc(CCC(=O)N2CC[C@@]3(CCCNC3)C2)cc1C 67641407 MAQMVVSFLDPEIU-LJQANCHMSA-N 300.446 2.838 0 50 DFAA CCc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1 67630440 FSWVEBORIOCCLJ-LLVKDONJSA-N 324.380 2.955 0 50 DFAA Cc1ccc2nc(CN(C)C(=O)[C@H]3CC(C(C)C)=NO3)[nH]c2c1 67755199 AIOFNELDIZDQPK-OAHLLOKOSA-N 314.389 2.631 0 50 DFAA Cc1nnc(CC(=O)N2[C@@H](C)c3ccc(F)cc3C[C@H]2C)o1 329080039 CITMXGIAMYVGCV-ZJUUUORDSA-N 303.337 2.594 0 50 DFAA CC1(C)C(O)=Nc2cc(C(=O)N3CCOCC34CC4)ccc21 329169483 JQOYEWVHKXDGQK-UHFFFAOYSA-N 300.358 2.571 0 50 DFAA OCC1(CN2CCCC2)CCN(C/C=C/c2ccccc2)CC1 219746835 IANCCJQOXPKDFM-RMKNXTFCSA-N 314.473 2.870 0 50 DFAA C[C@@](O)(C(=O)Nc1cnn(-c2ccccc2F)c1)C1CCC1 362934526 LBBPRPUXOUIUOQ-INIZCTEOSA-N 303.337 2.501 0 50 DFAA O=C(c1cc(O)c2ccccc2c1)N1CC[C@@H](n2cccn2)C1 366007296 UILMXDLGCKHHQC-OAHLLOKOSA-N 307.353 2.829 0 50 DFAA Clc1ccc2c(NCCCCN3CCOCC3)ncnc2c1 261372522 OVEQNBQKYOVHAT-UHFFFAOYSA-N 320.824 2.808 0 50 DFAA COC[C@@H](O)CN[C@H](Cc1cccnc1)c1ccc(Cl)cc1 338773880 DXWXPUHVRRYXLF-DLBZAZTESA-N 320.820 2.616 0 50 DFAA O=C(Nc1cc(F)c(F)cc1F)N[C@H](CO)Cc1ccccc1 155934603 YTHNFSIKVRYMHS-NSHDSACASA-N 324.302 2.829 0 50 DFAA CN(C)c1cccc(CNC(=O)c2cccc(-n3cccn3)c2)c1 77419638 AMDJEMIOEAHPQD-UHFFFAOYSA-N 320.396 2.868 0 50 DFAA CSCCN1CCN(Cc2ccc([C@H](C)N(C)C)cc2)CC1 215841983 HUMCUICVSVLAIV-INIZCTEOSA-N 321.534 2.790 0 50 DFAA COc1ccccc1N1CC[C@H](NC(=O)c2ccoc2C)C1 157010400 VIDROYQLTRFRLD-ZDUSSCGKSA-N 300.358 2.605 0 50 DFAA COCc1ccccc1CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 237172217 FRICFQUUSUFSCS-KBXCAEBGSA-N 312.413 2.785 0 50 DFAA O=C(O)C[C@H]1CCN(Cc2c(Cl)ccc(O)c2Cl)C1 216231136 PVEQZRBAWJMHDO-MRVPVSSYSA-N 304.173 2.996 0 50 DFAA C[C@@H](c1ccon1)N(C)C(=O)CCC(=O)c1ccc(F)cc1 216440882 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DFAA CC(C)c1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)on1 287704958 DOQDHGXHSVFAJT-CYBMUJFWSA-N 320.311 2.718 0 50 DFAA O=C(O)c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)cc1 263572962 LSSIHBZAZAHXAQ-SFHVURJKSA-N 311.381 2.828 0 50 DFAA CCn1cnnc1CCn1ccnc1-c1ccnc2ccccc12 82120150 FXEANIYLDKUWRK-UHFFFAOYSA-N 318.384 2.952 0 50 DFAA C[C@H](NC(=O)c1cnn(C)c1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 614492978 TYVOWHXXMCQXCS-XWLWVQCSSA-N 315.339 2.993 0 50 DFAA O=C(O)c1cc(=O)c2cc(Cl)cc(Br)c2[nH]1 88123632 OVBHJCXTNQMHKJ-UHFFFAOYSA-N 302.511 2.642 0 50 DFAA COc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)ccc1F 222601382 CZOAMHSDKFWJRK-ZDUSSCGKSA-N 320.408 2.829 0 50 DFAA c1coc(CN2CCN(C[C@@H]3CCCN4CCCC[C@H]34)CC2)c1 426479719 JTJQLQFKGPYQLL-PKOBYXMFSA-N 317.477 2.662 0 50 DFAA CC[C@@H](C(=O)N1CCCN(c2ccccc2)CC1)n1cccn1 91574173 MJOSJVOULQUVLA-KRWDZBQOSA-N 312.417 2.573 0 50 DFAA CCc1noc(C)c1CNC(=O)c1oc2c(c1C)C(=O)CCC2 294102664 UIAGAVUJSAVOGH-UHFFFAOYSA-N 316.357 2.896 0 50 DFAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC[C@]2(CCCO2)CC1 97819706 URASEKYKRJILLI-ZDUSSCGKSA-N 317.311 2.604 0 50 DFAA CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H]([C@H](C)N)C1 236890050 QKVCWXDROXCACQ-KZFBXYQYSA-N 302.418 2.684 0 50 DFAA Cc1c(Cl)c(CN2CC(=O)N[C@@H](C)C2)nc2ccccc12 296067655 DFLIEVDTCPUXNI-JTQLQIEISA-N 303.793 2.517 0 50 DFAA COc1ccc2c(c1)CCN(C(=O)c1ccn(C(F)F)n1)CC2 95368637 ROZSHICBESPACW-UHFFFAOYSA-N 321.327 2.528 0 50 DFAA c1ccc(Nc2ncc(-c3nc(C4CCOCC4)n[nH]3)cn2)cc1 97785230 HUWALIPOXNDQLG-UHFFFAOYSA-N 322.372 2.899 0 50 DFAA NC[C@H]1CCN(C(=O)CCc2cccc(Cl)c2Cl)C1 299739496 PFWIVMRFJCPZKP-SNVBAGLBSA-N 301.217 2.733 0 50 DFAA COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCC[C@@H](N)C3)C2)cc1 299749006 IWHHZENSOJLKQH-QMCVQRASSA-N 316.445 2.917 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@@H]2CSc3ccccc32)c1 299742969 LDCDHCFTQBDCES-CQSZACIVSA-N 313.378 2.891 0 50 DFAA CN(C(=O)c1csc(Cc2cccc(F)c2)n1)[C@@H]1CCOC1 272482572 OOGPZTOPTAGXBW-CYBMUJFWSA-N 320.389 2.734 0 50 DFAA CC(C)c1ccccc1NC(=O)NCCSc1cnn[nH]1 299793645 IRCCMZBZASQJEX-UHFFFAOYSA-N 305.407 2.842 0 50 DFAA O=C(C[C@H]1CCNC1)NCC1(c2ccccc2F)CCCC1 299771044 RHEJIXNBZHQWKT-CQSZACIVSA-N 304.409 2.753 0 50 DFAA C=CC(=O)N(Cc1cn(C2CCC2)nn1)c1ccc(F)cc1 1875375743 HCBCINWXKCIQPO-UHFFFAOYSA-N 300.337 2.861 0 50 DFAA CC1(C)OCc2c1n[nH]c2C(=O)NCc1ccc(F)c(Cl)c1 1875280555 WNAIDIYIRWLGJL-UHFFFAOYSA-N 323.755 2.898 0 50 DFAA Cc1cc2nccc(NC(=O)NCc3ccc4c(c3)CCC4)n2n1 1333319787 WXSMNZRCQQLYQJ-UHFFFAOYSA-N 321.384 2.848 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2Cl)c2ccccc2O1 1361676498 PALYQIHUQVDQIY-BXKDBHETSA-N 305.765 2.716 0 50 DFAA CC(C)C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)O 170594382 VZMMQAIJCXKSPU-MRXNPFEDSA-N 303.402 2.723 0 50 DFAA COC(=O)c1cc(NCC(=O)N2CCCCCC2)cc(C)c1C 170650426 YDJQUGZQZUEQRG-UHFFFAOYSA-N 318.417 2.905 0 50 DFAA Cc1nc(-c2cccc(CNC(=O)CC(C)(C)O)c2)cs1 585131337 SDTYHRQUHJAZBT-UHFFFAOYSA-N 304.415 2.896 0 50 DFAA Cc1cnccc1CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C 187472812 JSNXOZVPKZOGDM-QAPCUYQASA-N 310.397 2.921 0 50 DFAA O=C(CO)N[C@H](CC1CC1)c1cc(F)cc(Br)c1 187766066 KQBKNXGWSNAKKE-GFCCVEGCSA-N 316.170 2.538 0 50 DFAA Cc1csc(Nc2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)O)c2)n1 738821416 PNCUEMIHHWDQBH-NEPJUHHUSA-N 317.370 2.854 0 50 DFAA Cn1nc2ccccc2c1C(=O)Oc1ccc2c(c1)NC(=O)CC2 225445455 ONJYCEDWMAPIKL-UHFFFAOYSA-N 321.336 2.677 0 50 DFAA O=C(Nc1cccc(Cl)c1Br)C1=COCCO1 190095262 TXDJVFCAIOTNSO-UHFFFAOYSA-N 318.554 2.929 0 50 DFAA C[C@](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)(C(=O)O)c1ccccc1 652068534 GQAFWRZOCCQHDW-QHHYFVSCSA-N 313.397 2.747 0 50 DFAA COC1([C@@H](C)NC(=O)c2cc(O)nc3ccccc23)CCC1 665661891 VZFKGRMFJSZHLW-LLVKDONJSA-N 300.358 2.628 0 50 DFAA CN1CCN(c2ccc3c(Cl)cccc3n2)C[C@]12CCOC2 1615589907 JFTWEYYSSIJVCF-KRWDZBQOSA-N 317.820 2.799 0 50 DFAA CC(C)N(CCNc1nnc([C@H](N)c2ccccc2)o1)C(C)C 1772711847 GKZGVKBYLHWXTO-OAHLLOKOSA-N 317.437 2.648 0 50 DFAA O=C(C1=Cc2ccccc2OC=C1)N1CCC[C@@H](C2(O)CC2)C1 1772805309 JWHGUIVLUNIGBQ-MRXNPFEDSA-N 311.381 2.740 0 50 DFAA Cc1c[nH]c(-c2nccn2-c2ccc3c(c2)nc([C@H](C)O)n3C)n1 1775983775 BFUOIZPSIIEKRJ-NSHDSACASA-N 322.372 2.511 0 50 DFAA C[C@]1(C(=O)Nc2nccs2)Cc2ccc(Cl)cc2C(=O)O1 11690048 ZXJUUUQTWOUBOQ-CQSZACIVSA-N 322.773 2.907 0 50 DFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](Nc2ccccc2)C1 11938215 CMSSKQNVFWTJTP-INIZCTEOSA-N 313.401 2.937 0 50 DFAA COc1ccc(CN(Cc2[nH]cnc2C)C[C@H]2CCCO2)cc1 12143725 UTCUFXXVNNZKOJ-QGZVFWFLSA-N 315.417 2.908 0 50 DFAA CCC(=O)N1CCC(=O)N(Cc2ccc3ccccc3c2)CC1 12195178 XGGPEQPAKNMEHX-UHFFFAOYSA-N 310.397 2.811 0 50 DFAA COc1ccc2oc(=O)c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1 12417496 HJJOPYBJWWNYGZ-TXEJJXNPSA-N 315.369 2.920 0 50 DFAA biogenic Cc1ncc(CN2CCO[C@H](Cc3ccccc3Cl)C2)n1C 12446156 BTEKRQRQUCAYQY-MRXNPFEDSA-N 319.836 2.825 0 50 DFAA c1cc(-c2ccc(CN3CCc4[nH]nc(C5CC5)c4CC3)o2)n[nH]1 1857667279 RYVDXMGYTHROHM-UHFFFAOYSA-N 323.400 2.871 0 50 DFAA Cc1cccc(Cl)c1NC(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857735427 DKJOUDWUWBFMLL-AGIUHOORSA-N 323.824 2.632 0 50 DFAA C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)O)OCCO3 237502535 VBJVVDTXLYLWBL-LBPRGKRZSA-N 317.385 2.731 0 50 DFAA Cn1c(C(=O)N2CCC(C(=O)O)CC2)ccc1-c1ccccc1 237710570 RVEDZPANNQJJKE-UHFFFAOYSA-N 312.369 2.629 0 50 DFAA CCC(C)(C)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 20819801 PLANWLCQUHDXGT-HNNXBMFYSA-N 324.440 2.514 0 50 DFAA CN1CC[C@]2(CCN(C(=O)NCc3ccc(C4CC4)cc3)C2)C1 368027688 XNKMEDREADZGMV-IBGZPJMESA-N 313.445 2.801 0 50 DFAA COc1c(Cl)cccc1-c1noc([C@]2(C)CCN(C)C2=O)n1 904186526 OYZDCJRDEJPHSU-HNNXBMFYSA-N 321.764 2.518 0 50 DFAA COc1ccc2c(c1)CN(C(=O)C13CCC(C(=O)O)(CC1)C3)C2 909921974 QQHPCSVJZBBCCJ-UHFFFAOYSA-N 315.369 2.573 0 50 DFAA O=C1CSc2cc(C(=O)NC34CCC(CC3)C4)ccc2N1 813517948 MPEBIIOIZRRJPN-UHFFFAOYSA-N 302.399 2.793 0 50 DFAA Cc1nc(CC(=O)Nc2cc(Cl)cc(C(=O)O)c2)cs1 147459553 HQXFYPGGMSSJJZ-UHFFFAOYSA-N 310.762 2.984 0 50 DFAA CC1(C)CCC[C@]1(O)CNc1ncncc1Br 292926259 YVPXZHZIMNHPGW-LBPRGKRZSA-N 300.200 2.592 0 50 DFAA Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CC2)o1 12462477 QTDMAOISXYJRQF-WJDWOHSUSA-N 310.353 2.638 0 50 DFAA C[C@@H](c1ccc(-c2n[nH]c(-n3ccnc3)n2)cc1)N1CCCC1 2100544773 JCTPWAAMABGYHD-ZDUSSCGKSA-N 308.389 2.814 0 50 DFAA COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O 39092 AIONOLUJZLIMTK-AWEZNQCLSA-N 302.282 2.519 0 50 DFAA endogenous,world COc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44394 JQAIOQAQANYDBT-CYBMUJFWSA-N 310.353 2.687 0 50 DFAA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1 92732 WPBCXLCJWLNDPV-INIZCTEOSA-N 308.337 2.594 0 50 DFAA biogenic O=C(c1ccc2snnc2c1)N1CCN(c2ccccc2)CC1 95017 XKSSASBIHFSVTN-UHFFFAOYSA-N 324.409 2.654 0 50 DFAA COc1ccc(C(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 300456 OGYZIADFNQFQNH-INIZCTEOSA-N 314.429 2.809 0 50 DFAA CN(C)CCCN(CCCc1ccccc1)CCCN(C)C 3680983 SBVBKVVEKOURBW-UHFFFAOYSA-N 305.510 2.825 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1 4701891 NFKMEDBSYSIWRT-UHFFFAOYSA-N 312.435 2.604 0 50 DFAA O=C1C[C@@H](c2ccccc2)Cc2nc(NC[C@@H]3CCCO3)ncc21 4736665 PRQOGNNECLSKMA-GJZGRUSLSA-N 323.396 2.980 0 50 DFAA COc1ccc(NC(=O)c2ccccc2OC(C)=O)cc1OC 4868784 ORFJCJBEWMBNKY-UHFFFAOYSA-N 315.325 2.881 0 50 DFAA O=C(O)Cc1ccc(NC(=O)COc2ccccc2Cl)cc1 6592683 FOWUFHRSCXLSQG-UHFFFAOYSA-N 319.744 2.985 0 50 DFAA CC(=O)Nc1ccc(C(=O)Nc2cccc(OC(C)=O)c2)cc1 6747239 GWOKCFSXARYVIT-UHFFFAOYSA-N 312.325 2.823 0 50 DFAA Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 9236245 WYHYKXDQKDBNAJ-INIZCTEOSA-N 308.381 2.664 0 50 DFAA O=S(=O)(Cc1ccccc1)NCCCc1ccc(F)cc1 10543334 NZYVISQJMMHDLO-UHFFFAOYSA-N 307.390 2.878 0 50 DFAA Cc1cccc(NC(=S)N2CCC3(CC2)OCCO3)c1C 13784709 QHQWAYQQXDWEEF-UHFFFAOYSA-N 306.431 2.839 0 50 DFAA O=C(COc1cccc(Br)c1)NCc1cccnc1 16602390 KADOEBZDYIWJOP-UHFFFAOYSA-N 321.174 2.539 0 50 DFAA Cc1cc(C)n(C(=O)COc2ccc3oc(=O)cc(C)c3c2)n1 16647766 RGYXICXPKIIPGC-UHFFFAOYSA-N 312.325 2.634 0 50 DFAA Cc1n[nH]c(O)c1[C@H](c1cccc(Cl)c1)c1c(O)n[nH]c1C 19907738 VUTVVISIPHGCEP-UHFFFAOYSA-N 318.764 2.994 0 50 DFAA Cc1cc(CNC[C@@]2(c3cccc(F)c3)CCOC2)ccn1 20866655 XLSHOJZPJBOGBS-SFHVURJKSA-N 300.377 2.977 0 50 DFAA CC(C)CN1CCN(CCCc2ccccc2)[C@H](CCO)C1 36379412 OYEZWFOHYRLRTC-LJQANCHMSA-N 304.478 2.644 0 50 DFAA Cc1sc(-n2cccc2)c(C(=O)NC[C@H]2CCN(C)C2)c1C 67947867 OWSOQKSJTUQJIU-CQSZACIVSA-N 317.458 2.837 0 50 DFAA NC1(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)CC1 71771149 UZDREXAPJXNOJW-LBPRGKRZSA-N 308.372 2.627 0 50 DFAA CCCn1ncc(C(=O)NCc2cc(F)c(F)cc2F)c1C 91441104 PRCIHDHLPDAPLJ-UHFFFAOYSA-N 311.307 2.949 0 50 DFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)c2cccc(O)c2)C1 91574351 TWCSCNUGRZATCN-GOSISDBHSA-N 303.402 2.963 0 50 DFAA CC[C@]1(CO)CCCN(Cc2ccc(OC)c(COC)c2)C1 91738208 NGYUDVWDVIDSQS-SFHVURJKSA-N 307.434 2.826 0 50 DFAA CC(C)C[C@@H](O)c1nc(-c2ccc(Cl)cc2)nn1CCO 96137471 YNXOXPUMPJHECG-CYBMUJFWSA-N 309.797 2.670 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 178024660 GYWQBMNRRSYCKK-OKHZJLECSA-N 318.442 2.978 0 50 DFAA Cc1nscc1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 182113574 VHAMYPJFYYFJEE-UHFFFAOYSA-N 318.402 2.911 0 50 DFAA CSc1cccc(C)c1NC(=O)N1CCCN(C(C)=O)CC1 184962280 YTLMWWQIQSTIJX-UHFFFAOYSA-N 321.446 2.803 0 50 DFAA CC(C)(O)C(=O)NC1CCN(c2ccc(C(C)(C)C)cc2)CC1 191783654 VVQBJENGIKBRHJ-UHFFFAOYSA-N 318.461 2.840 0 50 DFAA CN(CC1(O)CCCC1)C(=O)Nc1cc(C(F)(F)F)ccn1 192422024 IYWMSRKCVKPCHU-UHFFFAOYSA-N 317.311 2.869 0 50 DFAA CN(C)c1ccccc1C(=O)N1CCN(C)[C@H](c2ccccc2)C1 215268034 NSJUXRYHNZUXIB-IBGZPJMESA-N 323.440 2.882 0 50 DFAA OC[C@@H]1CN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CO 216173885 GAWKKRMMCDZHDH-KBPBESRZSA-N 321.804 2.633 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)c1ccc(SCCO)cc1 219710558 QVRWYNZTXBMUEZ-UHFFFAOYSA-N 320.414 2.648 0 50 DFAA CC(C)c1csc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CC2)n1 222738475 MILJLJIZPDEXPV-TZMCWYRMSA-N 324.446 2.580 0 50 DFAA Cc1ccc(OC2CCN(C(=O)[C@@H]3CC[C@@H](N)C3)CC2)cc1C 237777363 AELUJIUFTZXPEL-HZPDHXFCSA-N 316.445 2.801 0 50 DFAA Cc1cc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(C)o1 243932260 BTVHPHQDOPNZGH-DVOMOZLQSA-N 300.358 2.533 0 50 DFAA Cc1ccc(NC(=O)CCN2CC[C@@H]3CC[C@H](C2)N3C)cc1F 244882536 XTQFGKJWXFXWGB-JKSUJKDBSA-N 319.424 2.631 0 50 DFAA CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H](C(=O)OCCN(C)C)[C@H]1C(=O)O 247857455 DBWBOVQNOJBGMP-JJXSEGSLSA-N 323.433 2.587 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)COC[C@H]1CCCO1 252666203 ATZAWSOBOAZLSV-AHCXZYCDSA-N 317.429 2.975 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CCO[C@H](C)C1 262692177 BTUMYZWIDQGCDB-VXGBXAGGSA-N 321.373 2.926 0 50 DFAA CC[C@H](C(=O)O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 263563446 DKALRVXGVMWPRH-OLZOCXBDSA-N 317.307 2.942 0 50 DFAA Cc1nc2c(n1[C@H]1CCN(CC3=CCCOC3)C1)CCCC2 275592036 KHXOHCQFNMNPIF-INIZCTEOSA-N 301.434 2.664 0 50 DFAA Cn1c(C(=O)N2CCC[C@@]3(CCOC3)C2)cc2cc(F)ccc21 299799079 XFAWHVFAOSQEIW-GOSISDBHSA-N 316.376 2.960 0 50 DFAA O=C(c1ccc(Cl)o1)N(Cc1cccnc1)C[C@H]1CCNC1 328627474 GGVLIGIMPWWVEG-ZDUSSCGKSA-N 319.792 2.580 0 50 DFAA COc1cc(C)c(CNC[C@H]2CCc3nccn3C2)cc1OC 328636928 OJJJPNQWNISTES-CQSZACIVSA-N 315.417 2.561 0 50 DFAA Cc1ncc(CNS(=O)(=O)c2cc(Cl)ccc2F)s1 330031778 DCNAORAEZOORKM-UHFFFAOYSA-N 320.798 2.723 0 50 DFAA Cc1noc(C)c1NC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 331402004 DEIBPFLEBIJVTR-LBPRGKRZSA-N 321.299 2.603 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O 331795126 UCOADYXLNUDMLR-GXTWGEPZSA-N 304.390 2.595 0 50 DFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NS(=O)(=O)C1(C)CC1)CC3 333436710 OSYPHDVCWUMKDU-LBPRGKRZSA-N 318.442 2.806 0 50 DFAA CS[C@@H](C(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 363595216 MLKWFAMEICZUKU-CQSZACIVSA-N 316.430 2.615 0 50 DFAA Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@@H](CN)C3)cc2)cs1 423747637 QNMONXKSCXRVCX-DOMZBBRYSA-N 315.442 2.976 0 50 DFAA C[C@@H](CNC(=O)OC(C)(C)C)c1noc(-c2ccncc2)n1 495359505 ZYXOQHRWOMOYKN-JTQLQIEISA-N 304.350 2.760 0 50 DFAA Cc1n[nH]c(C)c1CN1CC[C@]2(CC(=O)c3ccccc3O2)C1 585117008 ORRVYNNKYUCIRC-SFHVURJKSA-N 311.385 2.636 0 50 DFAA COC[C@@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1 629897095 ZHYJHEZCRCZDGJ-ZMSDIMECSA-N 323.820 2.707 0 50 DFAA CC1(C)Cc2ccsc2CN1C(=O)c1cn2c(n1)CCC2 648415169 JRTNVUCJOBSYGN-UHFFFAOYSA-N 301.415 2.868 0 50 DFAA Cn1cc(-c2ccnc(/C=C/c3c(C4CC4)cnn3C)n2)cn1 656613088 QZJKBTREGKRZSM-AATRIKPKSA-N 306.373 2.658 0 50 DFAA CC(C)(C)c1cc2c(O)nc(-c3ccc(O)nn3)nc2s1 685940681 REEHULUOOIZHPZ-UHFFFAOYSA-N 302.359 2.857 0 50 DFAA COCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccoc2)c1 824313281 FQLASBIOPRDLPF-UHFFFAOYSA-N 308.721 2.770 0 50 DFAA COCC[C@@H]1CN(C2CCN(c3cccc(C)c3)CC2)CCO1 824384115 JAARNOJBBYCRKN-LJQANCHMSA-N 318.461 2.701 0 50 DFAA Cn1cc(Cl)c(NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)n1 829862684 RKBGOROUTZASQU-VIFPVBQESA-N 318.764 2.528 0 50 DFAA CC1(C)CCc2cc(CNC[C@@]3(C)CCC(=O)N3)ccc2O1 835059501 AMQKOSHMRALKGK-GOSISDBHSA-N 302.418 2.549 0 50 DFAA CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCc2nccc3ccccc23)C1 894786207 BZYCZWZNPPSLRW-QXAKKESOSA-N 323.440 2.971 0 50 DFAA O=C(CCSc1ccccc1)Nc1n[nH]c2c1COCC2 923531736 UGJMQVQDGHTHAL-UHFFFAOYSA-N 303.387 2.603 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ncoc1C(C)C 952968580 FMUHHXGOVFDSSM-UHFFFAOYSA-N 304.394 2.843 0 50 DFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)C1CCC1 952982177 XYSJUJNWOJMZRH-UHFFFAOYSA-N 300.362 2.607 0 50 DFAA CCn1ccc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n1 1274418147 WTAIBWFRKRJNSB-UHFFFAOYSA-N 309.373 2.958 0 50 DFAA Cc1cccc(NC(=O)CC(=O)N2CCC(F)(F)CC2)c1C 1506408928 YPEYXIBBXPAWQQ-UHFFFAOYSA-N 310.344 2.890 0 50 DFAA Cc1nc(CCN[C@@H](C)CN2CCCCCC2)nc2c1CCC2 1506421908 KRQSKKOOUVIFDJ-HNNXBMFYSA-N 316.493 2.670 0 50 DFAA CN(C)[C@H]1CCN(Cc2ccccc2Cl)C[C@H]1CCC(=O)O 1565515156 FMXCFJNGRCQVBA-ZBFHGGJFSA-N 324.852 2.957 0 50 DFAA Cc1cc(CNc2cccc(-n3cnc(N(C)C)n3)c2)cc(C)n1 1657353440 PKYJHPIPLPYBFC-UHFFFAOYSA-N 322.416 2.957 0 50 DFAA CC(=O)c1cnc(NC[C@H](c2ccco2)N2CCCC2)nc1C 1704313409 PPQVCDAUDKAFBU-OAHLLOKOSA-N 314.389 2.830 0 50 DFAA CNCc1nnc(N2CCC[C@H](c3ccc(Cl)cc3)C2)o1 1772710391 USBMHCMCZQNZOQ-LBPRGKRZSA-N 306.797 2.826 0 50 DFAA CCn1ccc2c(CN3C[C@@H]4CCCN4C(=O)[C@H]3C)cccc21 1772818822 YUZGSTPKLRVDKD-ZBFHGGJFSA-N 311.429 2.856 0 50 DFAA FC(F)(F)c1ccc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)nc1 1775961457 BHMMAOAVOQBSJR-ZJUUUORDSA-N 313.283 2.551 0 50 DFAA COc1ccc(Cc2nn3c(CSC)nnc3s2)cc1 1775972065 CGCVMRLPHYMJPX-UHFFFAOYSA-N 306.416 2.648 0 50 DFAA Cc1cc(C)n2ncc(-c3nccn3[C@@H](C)c3ncc(C)[nH]3)c2n1 1857690976 XFXXHARNCPOHNO-ZDUSSCGKSA-N 321.388 2.850 0 50 DFAA O=C(c1cncc(N2CCCc3ccccc3C2)n1)N1CCCC1 2100534714 VMBZHOVFZADKNH-UHFFFAOYSA-N 322.412 2.665 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@]3(F)CCCOC3)cc2)c1C 2325773465 FBZOJWVKRUXSEB-KRWDZBQOSA-N 317.364 2.946 0 50 DFAA CCOc1nc(C(=O)NCc2[nH]c(C)nc2C)cc2ccccc12 2325774361 RVTNLOFMSBQJDW-UHFFFAOYSA-N 324.384 2.903 0 50 DFAA Cc1nc[nH]c1CCNC(=O)c1ccc(-c2cscn2)cc1 2325856102 AYXIIIHSLDXXJU-UHFFFAOYSA-N 312.398 2.814 0 50 DFAA CN1C[C@H]2C[C@@H](N(C)Cc3cccc4cnccc34)C[C@H]2CC1=O 2356163754 PTHXTTHDDQHDHD-KSZLIROESA-N 323.440 2.924 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 246601 LBWPBVUDLLTCPL-UHFFFAOYSA-N 310.419 2.600 0 50 DFAA COc1cc(C=O)cc(OC)c1OC(=O)c1ccc(F)cc1 313638 DIHVOPBAGOPVSL-UHFFFAOYSA-N 304.273 2.875 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)nnn2C 470120 RCKWBXHABBHXNH-NSHDSACASA-N 307.357 2.951 0 50 DFAA CCC[C@@]1(C(=O)O)CN(Cc2ccc(CC)cc2)CC[C@@H]1O 2356154617 CCJRWKCMCKNFIN-FUHWJXTLSA-N 305.418 2.687 0 50 DFAA CCOC(=O)[C@H]1CCCN(Cc2ccc(OC)c(C)c2OC)C1 4990260 LNXIDLDQJKCYNL-HNNXBMFYSA-N 321.417 2.787 0 50 DFAA CCOC(=O)[C@@H]1CCCN(CCCOc2ccc(F)cc2)C1 6701410 ATTSKDIFKYEZBL-CQSZACIVSA-N 309.381 2.870 0 50 DFAA CCC(=O)Nc1cccc(C(=O)NCc2ccccc2OC)c1 9224897 MTUOFYSFWCUEEZ-UHFFFAOYSA-N 312.369 2.974 0 50 DFAA biogenic COc1ccc2nc(NCCCN3CCOCC3)cc(C)c2c1 23634767 GSRKPGAHXPDZCZ-UHFFFAOYSA-N 315.417 2.686 0 50 DFAA CN(Cc1nc(-c2cccnc2)no1)C1Cc2ccccc2C1 65375198 MFHRKJGHXFFRNW-UHFFFAOYSA-N 306.369 2.731 0 50 DFAA COc1cc2c(cc1CN[C@H](C)C(=O)NC1CCCC1)CCC2 65388086 HKWXNLQLDXTNEW-CYBMUJFWSA-N 316.445 2.721 0 50 DFAA CCOc1ccccc1NC(=O)CC(=O)N1CC=C[C@@H]1C(C)C 65532377 LJLBCRQOZNVNJF-OAHLLOKOSA-N 316.401 2.837 0 50 DFAA CC(C)(O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67895397 JCFYGKXHTWQREJ-UHFFFAOYSA-N 322.311 2.539 0 50 DFAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC1(CO)CC1 252492000 MAVOVVGLFHENSM-GFCCVEGCSA-N 315.335 2.915 0 50 DFAA Cc1cc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(C)o1 328639686 WZDLDEFAPKLJJR-RDJZCZTQSA-N 303.406 2.867 0 50 DFAA COCCc1noc([C@H]2CCCCN2Cc2ccccc2)n1 65491099 JCUPZFATXCRVCB-OAHLLOKOSA-N 301.390 2.986 0 50 DFAA Cc1cccnc1C[C@@H](C)Nc1ccc(-c2nccn2C)nn1 67981622 ZTIBVLMVGNWINL-CYBMUJFWSA-N 308.389 2.624 0 50 DFAA CCOC(=O)CCCCN1CCO[C@@H](c2ccc(F)cc2)C1 71755531 PQLLKBGSAQTUFD-MRXNPFEDSA-N 309.381 2.932 0 50 DFAA CC(C)(C)n1cc(C(=O)NC2(C(=O)O)CCCCCC2)cn1 236763198 LOVZTUMAJLECBB-UHFFFAOYSA-N 307.394 2.546 0 50 DFAA CCc1cc(N(C)C[C@@H]2COc3ccccc3O2)n2nccc2n1 72419125 IZCJKLLFIVEMCH-CQSZACIVSA-N 324.384 2.568 0 50 DFAA CO[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 76389822 APRHXMBCWDEZOQ-SNVBAGLBSA-N 323.336 2.505 0 50 DFAA CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1 34926391 FHXXQBAKIWMBRW-HZPDHXFCSA-N 315.413 2.825 0 50 DFAA Cc1n[nH]cc1C(=O)N1CC[C@H](c2cn(C)c3ccccc23)C1 371064011 NPSFRFJQJFMIKL-ZDUSSCGKSA-N 308.385 2.840 0 50 DFAA Cn1cc(-c2cc(CN3CC[C@@H](O)c4ccccc4C3)on2)cn1 375107984 LCYBHBXUHSPRIO-GOSISDBHSA-N 324.384 2.514 0 50 DFAA COc1ccc(CCC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 177810415 AJOQCWPGSSHBHC-INIZCTEOSA-N 313.401 2.516 0 50 DFAA O=C(N[C@@H]1CCOc2ccc(F)cc21)c1conc1C1CC1 290823794 OYDDQQPYGQIUJS-CYBMUJFWSA-N 302.305 2.945 0 50 DFAA CCn1nc(C)c(CCNC(=O)CCc2scnc2C)c1C 82127748 DTLLYSQEOULXHH-UHFFFAOYSA-N 320.462 2.576 0 50 DFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccc(Br)cc2)C1 178995472 HHZAJXURNFCSMD-WXJAXGNASA-N 323.234 2.530 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N(C)[C@@H](C)c1cncs1 82137627 ZRPFDVULOMBWRP-LBPRGKRZSA-N 306.435 2.646 0 50 DFAA CCC1(O)CCN(C(=O)c2ccc3c(c2)CCCC3=O)CC1 293407699 STVALTMSWCXONG-UHFFFAOYSA-N 301.386 2.583 0 50 DFAA CC(C)(C)c1csc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 239302860 FRZPHMYLDRVIAB-FSZOTQKASA-N 320.414 2.902 0 50 DFAA O=C(O)Cc1ccc(CN2CCC[C@](CO)(CC3CC3)C2)cc1 91746036 CMFAJLJZETVQHH-IBGZPJMESA-N 317.429 2.688 0 50 DFAA Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCCC2)nc(N)n1 91847876 CYLMNFMQWGXSLO-HNNXBMFYSA-N 315.396 2.755 0 50 DFAA CCN1C[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O 91547883 QSSASMGVUCCAMP-SFHVURJKSA-N 322.408 2.838 0 50 DFAA CCC[C@]1(C(=O)O)CCCN(C(=O)CCc2scnc2C)C1 92062179 JHLRYJWZZAQMLF-INIZCTEOSA-N 324.446 2.878 0 50 DFAA CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H](C)c2ccccc21 298728015 IFTMNQKCMPFJJK-AWEZNQCLSA-N 323.458 2.988 0 50 DFAA COc1ccc(-c2c(C)nn(C)c2C(=O)O)c2ccc(C)nc12 534661996 CHIUCIFEQUXRMT-UHFFFAOYSA-N 311.341 2.959 0 50 DFAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1csc(-c2ccccc2)n1 370422144 DGGKHQSTYGDNPA-ZDUSSCGKSA-N 324.409 2.821 0 50 DFAA Cc1noc(C)c1CCC(=O)N(C)Cc1cc(C(C)C)no1 299760733 RCMCLAPROAALOY-UHFFFAOYSA-N 305.378 2.994 0 50 DFAA O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn[nH]1 299783285 YBBHZPJLATWOTI-ZDUSSCGKSA-N 312.373 2.761 0 50 DFAA CCCc1ccc(OCCNC(=O)[C@@H]2CC23CCNCC3)cc1 823010354 IMSVODOQCQGZNM-KRWDZBQOSA-N 316.445 2.524 0 50 DFAA COc1cccc(O[C@H](C)c2nc(CC(C)C)nn2CCO)c1 828776967 NSCGINSDNIGEOQ-CYBMUJFWSA-N 319.405 2.618 0 50 DFAA CC(C)(C)OC(=O)NCC1(c2ccc(C(=O)O)cn2)CCC1 950757260 MXIYQYHVNMAYFF-UHFFFAOYSA-N 306.362 2.726 0 50 DFAA Cc1nc2ccc(C(=O)N(C3CC3)[C@@H]3CCCNC3)cc2nc1C 1875278013 SQZAOBUNPVSNDQ-MRXNPFEDSA-N 324.428 2.603 0 50 DFAA Cc1ccc([C@@]23C[C@@H]2CN(C(=O)NCc2cccnc2)C3)cc1 1875291144 PDIXZCOQYFCEAR-MJGOQNOKSA-N 307.397 2.873 0 50 DFAA O=C(CC1CCCC1)NCC1CCN(C[C@@H]2CCCOC2)CC1 952990657 WWMJJTDBKXLLSH-SFHVURJKSA-N 322.493 2.822 0 50 DFAA Cc1cc(C(=O)NCc2ccc3ncn(C(C)C)c3c2)ncn1 1331091496 MPKPBUYAMQULNN-UHFFFAOYSA-N 309.373 2.646 0 50 DFAA CSCc1ccccc1NC(=O)c1cc2n(n1)CCC[C@@H]2O 1466760166 ZTNNDEZILCAKRN-HNNXBMFYSA-N 317.414 2.826 0 50 DFAA Clc1ccc2c(c1)[C@H](NCc1nnnn1C1CC1)CCCO2 678593379 SURNFFDAUYQECE-CYBMUJFWSA-N 319.796 2.665 0 50 DFAA CC(C)(C)OC(=O)c1cccnc1C(=O)N1CCC=C(F)C1 585089539 VKQJSSQXBBERFM-UHFFFAOYSA-N 306.337 2.736 0 50 DFAA C[C@H](CC(=O)N[C@@H]1CCCC12OCCO2)Cc1cccc(F)c1 585127806 JPTLCLJBFYAUFB-XJKSGUPXSA-N 321.392 2.806 0 50 DFAA COc1cc2c(N3CC[C@H](C)[C@H](OC)C3)ncnc2cc1F 225489578 YUMLZSYLPSSBDH-ZUZCIYMTSA-N 305.353 2.639 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)c(C)o1 643893522 AQIIEVORFZZDGU-OAHLLOKOSA-N 314.389 2.730 0 50 DFAA Nc1nccc([C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)n1 192945723 YYDOHCZIAXTFBS-NSHDSACASA-N 315.352 2.609 0 50 DFAA CN(C(=O)CCc1ccccc1F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529184700 DBVSBUGDDYUKPD-GEEKYZPCSA-N 305.393 2.766 0 50 DFAA Cc1ccc(N[C@H](C)C[C@@H]2CC(=O)N2)c(OC[C@@H]2CCCO2)c1 1615605430 SIWQCVLXAFWFGL-KFWWJZLASA-N 318.417 2.632 0 50 DFAA Cc1c(C(=O)NCCN2CCCCC2=O)oc2c(F)cccc12 12314595 MMIUUZNISRSYFK-UHFFFAOYSA-N 318.348 2.623 0 50 DFAA CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 13715375 QKVGHXYACJRTRU-UHFFFAOYSA-N 300.333 2.709 0 50 DFAA CSCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 14964115 UPSGRPJEOGAJFT-MRXNPFEDSA-N 306.475 2.563 0 50 DFAA Cc1cccc(CS(=O)(=O)N2CCc3ccccc3C2)c1 16579743 QDYVHJRSSRDGOL-UHFFFAOYSA-N 301.411 2.883 0 50 DFAA Cc1n[nH]cc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19111762 VYDNPHGQPTZQDI-ZDUSSCGKSA-N 317.364 2.788 0 50 DFAA CN1C(=O)N[C@H]2C[C@@]1([C@@H]1CCCOC1)Oc1ccc(Cl)cc12 1857530538 UPBYGMSNMWRHDE-HICWGWBUSA-N 322.792 2.942 0 50 DFAA COc1cccc2c1OC[C@H](Cn1ccnc1-c1nccn1C)C2 1857671855 UCWVAXMLEURNSK-ZDUSSCGKSA-N 324.384 2.544 0 50 DFAA CC[C@H](OC1CCCC1)C(=O)N1CCC[C@H](CCC(=O)O)C1 236994270 QJXSTHXUKRNTDW-HIFRSBDPSA-N 311.422 2.828 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 336981538 FOSCEMJZOQPJHR-GDBMZVCRSA-N 317.364 2.551 0 50 DFAA Cc1nn(C(C)C)cc1CNC[C@H]1CC(=O)Nc2ccccc21 374196913 DHNWTTMSSUPAGR-CQSZACIVSA-N 312.417 2.988 0 50 DFAA CC[C@@H]1CN(Cc2cccc3cnccc23)C[C@H](C)[S@@]1=O 589186899 PXYNPAHBRFVNNI-QSZISKGPSA-N 302.443 2.966 0 50 DFAA N[C@@H](C(=O)NC[C@@]1(C(F)(F)F)CC2CCC1CC2)C1CC1 2325779288 VKYPRRSTAJEQPU-BQVYFXKUSA-N 304.356 2.599 0 50 DFAA COc1ccnc([C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)c1 2325802858 BLHLGDRBRUJGBZ-NWDGAFQWSA-N 310.344 2.842 0 50 DFAA Cn1ccnc1CCC(=O)Nc1cc(Cl)cc2nc[nH]c12 2325858353 KAGRFBUTHNCECV-UHFFFAOYSA-N 303.753 2.521 0 50 DFAA O=C(c1cocn1)N(Cc1cccnc1)c1ccc2c(c1)OCO2 2325868566 BHNLCBKYTFSOOG-UHFFFAOYSA-N 323.308 2.645 0 50 DFAA Cn1cc(COC(=O)c2cn(C)c3ccc(Cl)cc23)cn1 2325874300 HPGZACUXUMLKRL-UHFFFAOYSA-N 303.749 2.922 0 50 DFAA COc1ccccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 142436 CVSJQNICQURCKI-UHFFFAOYSA-N 318.325 2.940 0 50 DFAA Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3F)nc2n1 616189 AYGXCSKCEMLJEQ-UHFFFAOYSA-N 321.262 2.762 0 50 DFAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cccn1 8714651 UUEYOONOSHJQCX-UHFFFAOYSA-N 314.794 2.871 0 50 DFAA CNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 8722993 WYIXYFZCQFGAHV-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1OC 1713711 JRAYUPSJGCRNDR-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA CC[C@H](CO)N(Cc1cnn(CC)c1)Cc1ccccc1C 55169064 RPPHMKYRBISSOS-GOSISDBHSA-N 301.434 2.985 0 50 DFAA COc1ccc(CN(CCCO)Cc2ccc(C)s2)cn1 55211474 IMQYZCQLPIGSFD-UHFFFAOYSA-N 306.431 2.845 0 50 DFAA O=C(O)CCCC(=O)Nc1ccn(Cc2ccccc2Cl)n1 12649791 QGJKAJTUUCBJGV-UHFFFAOYSA-N 321.764 2.778 0 50 DFAA COc1ccc(OC)c2c(C)cc(N3CCC[C@H]3CO)nc12 23634505 DDXPKVDIOGXVOT-LBPRGKRZSA-N 302.374 2.522 0 50 DFAA CC(C)CN1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1CCO 20534332 ZXUSSXFJJZCVCW-SFHVURJKSA-N 315.461 2.693 0 50 DFAA Cc1ccc(NC(=O)CC(=O)N(C)[C@H](C)c2nccs2)cc1 55357858 KCOOTRXCSXFYRL-GFCCVEGCSA-N 317.414 3.000 0 50 DFAA CC[C@@]1(O)CCCN(CCC(=O)Nc2ccc(OC)cc2C)C1 65530827 UHAGFNCJVFGQPD-GOSISDBHSA-N 320.433 2.569 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](C(=O)O)C1 136133473 MKKBWTGXMCNQFH-OLZOCXBDSA-N 305.374 2.512 0 50 DFAA CCc1cc(CN(C)C(=O)[C@@H](O)c2ccc(Cl)cc2)on1 67896500 NJPQORPISQAHHH-AWEZNQCLSA-N 308.765 2.582 0 50 DFAA COc1cccc(-n2c(CC(C)C)nnc2SCC(=O)O)c1 65526583 JQKXQHPKENPROD-UHFFFAOYSA-N 321.402 2.651 0 50 DFAA C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1c(F)cccc1F 20399081 HNGPSHTUAIMNQF-SNVBAGLBSA-N 304.296 2.722 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccsc1 32092237 UOJNCNSEHQXMAX-AWEZNQCLSA-N 307.758 2.814 0 50 DFAA CCOc1ccccc1C(=O)Nc1ncn(Cc2ccccc2)n1 2796314 OLWGDNZFAYPXSE-UHFFFAOYSA-N 322.368 2.977 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)nc1 237357217 FMEHCGFLRLGMDT-DOMZBBRYSA-N 310.353 2.798 0 50 DFAA CCNc1ncc(CN(C)Cc2cnn(-c3ccccc3)c2)cn1 72161519 OWDRUPPCQGKJEQ-UHFFFAOYSA-N 322.416 2.726 0 50 DFAA CN(CC1(CO)CCC1)C(=O)c1ccc(CCC(C)(C)O)cc1 72475388 DCJICEREOAYWOI-UHFFFAOYSA-N 319.445 2.625 0 50 DFAA CCOCCC(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1 77302217 AGUXSBLJZLZZGU-QGZVFWFLSA-N 317.429 2.854 0 50 DFAA COc1cc2c(cc1CNC(=O)c1oc(C)nc1C)O[C@@H](C)C2 156354242 HQBDKQJOHZSWGF-VIFPVBQESA-N 316.357 2.553 0 50 DFAA O=C(Cc1ccccc1OCc1ccccc1)NCc1ncc[nH]1 219816142 YNDJUGDKSGXYQO-UHFFFAOYSA-N 321.380 2.848 0 50 DFAA Cc1noc(C2CC2)c1NC(=O)N[C@H](C)CN1CCCCC1 129264814 AQOSNCDZIVHZFR-LLVKDONJSA-N 306.410 2.856 0 50 DFAA Cc1nnc(N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)o1 343562396 FMWAZNXKWMAJEB-SECBINFHSA-N 315.299 2.514 0 50 DFAA Cc1ccc(C(=O)CCN2CCC(Nc3cccnn3)CC2)cc1 159313242 VCJKLCJQYULNOU-UHFFFAOYSA-N 324.428 2.934 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@H]2C(=O)C[C@@]2(C)CC[C@H](O)[C@H]12 36370687 NUENQQRLXHPLFI-MXKFRBEASA-N 306.446 2.930 0 50 DFAA CN(Cc1ccc(C(N)=O)cc1)[C@H]1CCCN(c2ccccc2)C1 174677090 NQDCNKVJGXDKRF-IBGZPJMESA-N 323.440 2.886 0 50 DFAA Cc1cnn([C@H]2CCN(C(=O)NCc3cscc3C)C2)c1 378069428 IOEWQOVFKXUHAE-AWEZNQCLSA-N 304.419 2.718 0 50 DFAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)CCC(F)(F)F 77423351 IIPHMUNGWYBMFD-CQSZACIVSA-N 314.351 2.844 0 50 DFAA COc1cc(C(=O)O)ccc1CCNC(=O)c1cc(C)oc1C 263339072 OJHRSHWYHWQXCN-UHFFFAOYSA-N 317.341 2.576 0 50 DFAA COC(=O)c1ccc(C)c(NC(=O)c2ocnc2C2CC2)c1 288832722 JBYPPFHQXTXULS-UHFFFAOYSA-N 300.314 2.899 0 50 DFAA O=C(CCCN1CCCCCC1)N1CC(Oc2ccccc2)C1 221295182 KRAWQFJODTXGDU-UHFFFAOYSA-N 316.445 2.932 0 50 DFAA Cc1c(C(=O)N(C)Cc2nc3c(s2)CCCC3)ccn1C 195295266 QQUQFQHXPDIGLL-UHFFFAOYSA-N 303.431 2.941 0 50 DFAA COc1cccc([C@H]2CCN2C(=O)NCC(C)(C)CN(C)C)c1 426652984 PXZOAUOQWBBYQF-MRXNPFEDSA-N 319.449 2.739 0 50 DFAA O[C@H](CN[C@@H](c1ccc(F)cc1)C1CCCC1)Cn1cccn1 180300210 SUBHINOISMJIFM-QZTJIDSGSA-N 317.408 2.904 0 50 DFAA OCC[C@H]1CCCCN1Cc1cc(O)c2cc(F)ccc2n1 91269808 GVDDMEIJMJYMOT-CQSZACIVSA-N 304.365 2.816 0 50 DFAA CCCc1nnc(NC2CCN(C(=O)c3ccccc3)CC2)o1 95377168 NIXFNCYGZSOFOZ-UHFFFAOYSA-N 314.389 2.739 0 50 DFAA FC1(F)CCCC[C@H]1CNc1cc(N2CCOCC2)ncn1 294946242 LYCSGUHXIDDZQV-LBPRGKRZSA-N 312.364 2.551 0 50 DFAA CCN(Cc1ccc(C)o1)C(=O)c1cc(-c2cccn2C)n[nH]1 91425438 NPPCJKAWYPDCAZ-UHFFFAOYSA-N 312.373 2.979 0 50 DFAA Cc1nn(C)c2nc(N(C)C[C@H]3CCN(CC(C)C)C3)sc12 95511188 BBDHSMZMBDSCHF-CYBMUJFWSA-N 321.494 2.752 0 50 DFAA COc1ccc(-n2ncnc2CC[C@H]2CCCN(C)C2)cc1 91289133 YBSHLFQLQHFQKR-CQSZACIVSA-N 300.406 2.550 0 50 DFAA CCCc1nc(C(=O)N[C@@H](C(=O)O)c2ccc(F)cc2)cs1 95527789 MVJIWHLFCDYIBW-CYBMUJFWSA-N 322.361 2.790 0 50 DFAA CCN1CCC(CC(=O)NC[C@H](O)c2ccc(Cl)cc2)CC1 95496885 OWBABUHVDODETH-INIZCTEOSA-N 324.852 2.612 0 50 DFAA C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 239073258 GUBBWOQSMITJTH-KLHDSHLOSA-N 308.466 2.776 0 50 DFAA COc1ccc([C@@H](CN(C)C)NCc2ccc3cn[nH]c3c2)cc1 242302114 YPPAAPWRENWCJV-LJQANCHMSA-N 324.428 2.964 0 50 DFAA O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)C1=COCCC1 299741883 HMOYICBNZOMRLQ-BBRMVZONSA-N 305.349 2.714 0 50 DFAA CN(C[C@@H]1CCCCN1C)C(=O)NC1(Cc2ccccc2)CC1 534647888 YZUYTCAPJYYIRG-KRWDZBQOSA-N 315.461 2.887 0 50 DFAA Cc1nc(C)c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)s1 263584754 AFDYTUHNTUNAHE-UONOGXRCSA-N 307.463 2.754 0 50 DFAA biogenic CS(=O)(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 276781417 WXWLDVBMEKWYTF-AWEZNQCLSA-N 323.393 2.702 0 50 DFAA O=C(CCc1cn[nH]c1)N1CCC(Oc2ccc(F)cc2)CC1 629960864 AGJSONVQHXJMFS-UHFFFAOYSA-N 317.364 2.551 0 50 DFAA CCCN(Cc1nccn1CCOC)C1Cc2ccccc2C1 822910070 JLXFLHCDPNKCFB-UHFFFAOYSA-N 313.445 2.909 0 50 DFAA CN(Cc1cccnc1)C(=O)NCCc1c[nH]c2ccc(O)cc12 1875337527 XBBZDDBVLYTKSA-UHFFFAOYSA-N 324.384 2.653 0 50 DFAA COCC(=O)N1CCc2c(NCc3csnc3C)cccc21 1875284719 IWXIONOTTREVRV-UHFFFAOYSA-N 317.414 2.599 0 50 DFAA O=C(c1ccoc1)N1CCN(c2ccnc3c2CCCC3)CC1 1875267449 GNYXGYNEAAMCFM-UHFFFAOYSA-N 311.385 2.516 0 50 DFAA Cc1cc(F)ccc1N1CCC(NCCc2cn[nH]c2)CC1 952965445 FGWFYMPLOXQDFP-UHFFFAOYSA-N 302.397 2.658 0 50 DFAA COc1cc(OC)cc([C@H](O)CN[C@H]2C[C@@H]3CCCC[C@@H]32)c1 1775984823 KWVZVLZJMUZRDH-GYIHYUDTSA-N 305.418 2.906 0 50 DFAA CC(C)(C)[C@H](NC(=O)c1ccnc2[nH]ncc12)C(F)(F)F 1775993192 XDIWUQBVCGTQOC-NSHDSACASA-N 300.284 2.665 0 50 DFAA Cn1cncc1[C@H]1C[C@@H](NCc2cccc3cc[nH]c23)CCO1 275359174 ASWSWAZOWCNEIS-DOTOQJQBSA-N 310.401 2.911 0 50 DFAA C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cccnc1C(F)(F)F 170089750 QCHAXIQNAZULSQ-VIFPVBQESA-N 312.295 2.667 0 50 DFAA O=C(O)c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)o1 170067785 JTVVCPUJLWIZRW-UHFFFAOYSA-N 305.252 2.782 0 50 DFAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc(F)c(F)c1F 170020086 JPQJESIAMUCCOY-CYBMUJFWSA-N 309.243 2.660 0 50 DFAA CC(=O)SCCCCCCNC(=O)c1[nH]nc2c1CCCC2 170605780 AFWUGDAQUPRFCW-UHFFFAOYSA-N 323.462 2.858 0 50 DFAA COC(=O)[C@H]1CN(C(=O)CCc2ccsc2)c2ccccc21 171935877 FLUNDTFZQWBSJI-AWEZNQCLSA-N 315.394 2.984 0 50 DFAA Cc1cc(=O)c(OCC(=O)N2c3ccccc3CC[C@@H]2C)co1 187393336 WCSSZJQJBCCIID-LBPRGKRZSA-N 313.353 2.695 0 50 DFAA COc1cc2c(cc1OC)CCN(Cc1ccns1)CC2 637970981 GUAJIGISOXQEHR-UHFFFAOYSA-N 304.415 2.761 0 50 DFAA O=C1CC[C@@H](NC(=O)c2ccoc2Cl)[C@H](c2ccccc2)N1 412844611 VDXZLBMZNHWTLF-OCCSQVGLSA-N 318.760 2.683 0 50 DFAA CN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 225300829 ZMIZRTZBGSDZCG-TXPKVOOTSA-N 314.429 2.711 0 50 DFAA O=C(Nc1ccncn1)N1CCC[C@H]1C[C@@H](O)c1cccs1 194050110 UJJAWVGSDDQDBF-NWDGAFQWSA-N 318.402 2.658 0 50 DFAA CCS(=O)(=O)C1CCN(C(=O)C2(C)CCCCCC2)CC1 195298067 QQTBYURODZIMPA-UHFFFAOYSA-N 315.479 2.773 0 50 DFAA O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC[C@H](O)CC1 655755860 UMGQATDRIIJNPL-HOCLYGCPSA-N 306.381 2.760 0 50 DFAA CCc1noc(NC(=O)CN(C)Cc2ccc(F)cc2)c1C 1529119784 LSGNLYGEGDWWJL-UHFFFAOYSA-N 305.353 2.755 0 50 DFAA Cc1ccc(CN(C)CC(=O)Nc2cnn(C(C)C)c2)cc1 1529104763 SOXPHXPTQQJLIE-UHFFFAOYSA-N 300.406 2.843 0 50 DFAA N[C@@H]1C[C@@H](NC(=O)C2(c3nccc4ccccc34)CC2)C12CCC2 1615555836 YPPAETQIAYDHNR-HZPDHXFCSA-N 321.424 2.653 0 50 DFAA CC[C@@H](Oc1ccccc1F)C(=O)NC1(c2ncon2)CCC1 1615604710 FAJPUNNIIIIGPQ-GFCCVEGCSA-N 319.336 2.562 0 50 DFAA C[C@@H](NCc1ccccc1-n1ccnc1)[C@H]1COC(C)(C)O1 1616038262 QDWKYTPBPPXBSQ-CZUORRHYSA-N 301.390 2.502 0 50 DFAA COc1cccc(N2CCC(N3CCC[C@@H]3C3(O)CC3)CC2)c1 1772808865 DAKAVJPMJLVSCP-GOSISDBHSA-N 316.445 2.653 0 50 DFAA Cc1ccc(OC2CCN(CC[C@@H]3COCCO3)CC2)cc1 1775977036 DFKZHAGNNMOAEH-GOSISDBHSA-N 305.418 2.644 0 50 DFAA O=C(CC[C@H]1CCCN(C(=O)c2ccco2)C1)N1CCCC1 12574745 CZIRSDJZCHPOPQ-CQSZACIVSA-N 304.390 2.534 0 50 DFAA Nc1nc2nc(-c3ccccc3)c(-c3ccccc3)nc2c(=O)[nH]1 18044241 UBFLLFFNWQPPKK-UHFFFAOYSA-N 315.336 2.629 0 50 DFAA O=C(NCc1c(F)cccc1Cl)[C@H]1CCn2nccc2C1 1857670788 CERAGBIBRCSUNX-JTQLQIEISA-N 307.756 2.554 0 50 DFAA CCc1ccc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 79774 SMFPOUQIDIJJAP-UHFFFAOYSA-N 324.490 2.837 0 50 DFAA CCOc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 307190 FRGMAJKNQWRBLC-UHFFFAOYSA-N 304.390 2.720 0 50 DFAA CC1(C)[C@@H]2CN(C(=O)NCC[C@H]3COc4ccccc4O3)C[C@H]21 332964661 QHEJRSCTALLBEX-BFHYXJOUSA-N 316.401 2.514 0 50 DFAA COc1ncncc1NC(=O)NC[C@H](C)c1cccc(C)c1 135979492 ZBLBSHGUVIAHOP-LBPRGKRZSA-N 300.362 2.719 0 50 DFAA CO[C@@H](C(=O)N1CCC[C@H]1c1cn(C)nc1C)c1ccccc1 364715460 YBZCGNCZXCCCRN-DLBZAZTESA-N 313.401 2.780 0 50 DFAA COc1ccc([C@H](CC(=O)O)NC(=O)Cc2ccccc2)cc1 37018 GYEZAZIFHRSDBJ-INIZCTEOSA-N 313.353 2.570 0 50 DFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2C)cs1 6659113 GQTYSSQLWSKWKW-UHFFFAOYSA-N 324.427 2.525 0 50 DFAA Cc1ccc2cc(CN3CCN(C4CC4)C[C@H]3C)c(O)nc2c1 2100555145 MMORQFIFIZCMBS-CQSZACIVSA-N 311.429 2.917 0 50 DFAA Cc1[nH]nc2c1CC[C@H](NC(=O)c1cc3c(C)cccn3c1)C2 2325794783 RDLKQWUBCRLFOE-AWEZNQCLSA-N 308.385 2.567 0 50 DFAA O=C(C[C@H](c1ccccc1)c1ccccc1O)N1CCOCC1 38359 SCVKIFYWDXYFIN-QGZVFWFLSA-N 311.381 2.773 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 553644 QYIFCIARMGNYOC-CYBMUJFWSA-N 306.412 2.859 0 50 DFAA Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)c(C)c1 2336416 TVAMHQYSOQLWFK-UHFFFAOYSA-N 300.333 2.697 0 50 DFAA C=CC(=O)Oc1ccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 3124699 RYIDOMDNGFJLOF-GJZGRUSLSA-N 311.337 2.624 0 50 DFAA Cc1cc(NC(=O)COc2cccc(Br)c2)no1 3299778 NUQHUIMABXOUKG-UHFFFAOYSA-N 311.135 2.763 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCCC3)CC2=O)cc1Cl 4975631 GRUMWFOORDUZNL-LBPRGKRZSA-N 306.793 2.624 0 50 DFAA COc1cc(CNC2CCCCCCC2)ccc1OCC(N)=O 6703511 AHLQKYJDCPDWIH-UHFFFAOYSA-N 320.433 2.762 0 50 DFAA CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 6730285 XDOPNRGEZGECOJ-UHFFFAOYSA-N 310.810 2.762 0 50 DFAA COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)cc1 103676636 HLNGBRZQQYEGQI-UHFFFAOYSA-N 301.366 2.893 0 50 DFAA O=C(NCc1ccccc1)[C@@H]1CC(O)=Nc2nc3ccccc3n21 8738218 ZXXCYVPUUCVPOV-HNNXBMFYSA-N 320.352 2.886 0 50 DFAA O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cnn(-c2cccnc2)c1 346084961 HCCSXBCMIKPYDW-YJBOKZPZSA-N 318.380 2.628 0 50 DFAA COc1ccc2ccccc2c1CNC(=O)Nc1nc(C)n[nH]1 23368413 NCVWBQDWZOBBQP-UHFFFAOYSA-N 311.345 2.597 0 50 DFAA Cc1cnc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 1506419327 ZCZDDCDAGGYPIF-IBGZPJMESA-N 311.429 2.601 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1C(=O)OC(C)(C)C 425038127 LJIZXCUZKZXWAP-TZMCWYRMSA-N 304.390 2.664 0 50 DFAA Cc1nc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)oc1C 323523255 KYSAEGVTQKRAPS-UHFFFAOYSA-N 316.317 2.696 0 50 DFAA CN1CCC[C@H]1CCNCc1c[nH]nc1-c1ccc(F)cc1 67562056 MQDONIGXKAGVCF-INIZCTEOSA-N 302.397 2.790 0 50 DFAA CN(CCOc1ccccc1F)C[C@@H]1CCc2nccn2C1 328646577 SSQNFVYXFJBJLE-AWEZNQCLSA-N 303.381 2.595 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](O)Cc1ccccc1 356148069 KUMSVKOJBSNBFX-MNEFBYGVSA-N 309.409 2.995 0 50 DFAA O=C(Nc1cnn(CC2CC2)c1)[C@H]1C[C@@]12CCOc1ccccc12 253430513 JPRVTVRFHKCJMH-VQIMIIECSA-N 323.396 2.972 0 50 DFAA O=C(O)c1ccc(-n2cc(C(=O)c3ccccc3O)cn2)cc1 5764107 YQGKRZHXRPCXLV-UHFFFAOYSA-N 308.293 2.507 0 50 DFAA CC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-n2cnnc2)c1 215035566 WDFHILWDMBLNDC-KRWDZBQOSA-N 321.384 2.886 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1c[nH]nc1-c1ccccc1F 283769629 LONVQNFWKZZKOH-QWRGUYRKSA-N 303.337 2.969 0 50 DFAA CC(=O)c1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cs1 77357673 DFIVMHFAQQLHFE-LLVKDONJSA-N 303.387 2.694 0 50 DFAA O=C(Cc1noc2ccc(F)cc12)N[C@H]1CCOC2(CCC2)C1 333165753 MSGCZDVPOUVYTG-LBPRGKRZSA-N 318.348 2.727 0 50 DFAA CC(C)[C@@H]1CN(CCCO)CCCN1Cc1ccc(F)cc1 71747549 RLBYINXSCCPVAY-SFHVURJKSA-N 308.441 2.740 0 50 DFAA CC(C)(CCC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1 262037517 ZUTXJPHYDVFVRU-UHFFFAOYSA-N 321.398 2.762 0 50 DFAA Cc1cccc(COc2cccc(CC(=O)N3CC[C@@H](N)C3)c2)c1 237655949 GVDDWZWXISKXKD-GOSISDBHSA-N 324.424 2.676 0 50 DFAA COCc1noc(-c2ccc(-c3ccc4c(c3)OCO4)nc2)n1 72174489 PRZRCNPRGSVATG-UHFFFAOYSA-N 311.297 2.674 0 50 DFAA C[C@H](C1CCN(Cc2ccc(CCN)cc2)CC1)N1CCCC1 72473361 IKXOAORAJSQMHU-QGZVFWFLSA-N 315.505 2.884 0 50 DFAA Cc1cc(NCc2cn3c(n2)SCC3)n2nc(C)c(C)c2n1 72407733 IPXLDZDYNJYPIX-UHFFFAOYSA-N 314.418 2.569 0 50 DFAA C[C@@H]1C[C@H](C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CCO1 262782307 ZQNBOZPMSMLBDY-NXEZZACHSA-N 303.314 2.885 0 50 DFAA COc1cccc(C(=O)N2CCc3cccc(F)c3C2)c1O 132607511 CVWCIRZSKGGYAK-UHFFFAOYSA-N 301.317 2.738 0 50 DFAA O=Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)[nH]1 175089699 SEOVSUAZBOPDQA-UHFFFAOYSA-N 317.433 2.746 0 50 DFAA Cn1cc(CNc2cccc(CCC(=O)O)c2)c(C(F)F)n1 263513908 OENDNMUKRWFRCU-UHFFFAOYSA-N 309.316 2.987 0 50 DFAA CN(C)CCCN(C)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 426465539 YOUOXQYJWMXGMD-UHFFFAOYSA-N 322.840 2.914 0 50 DFAA O=C(NCc1cccc(Cl)c1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136304533 MTBGZAOPOJSLPB-AUZPSNTRSA-N 307.777 2.703 0 50 DFAA CC[C@@H](NC(=O)Cc1ccc(F)c(F)c1F)c1ccnn1C 220304978 VUBDHBWQKWUKTF-LLVKDONJSA-N 311.307 2.647 0 50 DFAA COc1ccc(Cl)cc1NC(=O)CCN1CCSCC1 47994178 DVPYICQUOUHWNU-UHFFFAOYSA-N 314.838 2.726 0 50 DFAA O=C(NC1CC1)c1ccnc(C[C@@H]2COc3ccccc3C2)c1 91745467 RMSWCFZARPKWSG-CYBMUJFWSA-N 308.381 2.768 0 50 DFAA C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)C(=O)O 237338560 JLIIYPDECQJXEP-CYBMUJFWSA-N 322.364 2.893 0 50 DFAA CC(C)c1nc(CN2CCN(C3CCCCC3)C(=O)C2)co1 97638032 AWQRDIJHYZYSGS-UHFFFAOYSA-N 305.422 2.775 0 50 DFAA Cc1ccc2cccc(OCCn3cc([C@H]4CCOC4)nn3)c2n1 91846801 GGJJSCBDEQFKCB-HNNXBMFYSA-N 324.384 2.718 0 50 DFAA 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50 DFAA O=c1cc(CN2CCCCC[C@H]2c2ccncc2)[nH]c2ccnn12 1775996392 RVLVUYOSVKKWQL-INIZCTEOSA-N 323.400 2.535 0 50 DFAA C1CCc2[nH]c([C@H]3CCCN3Cc3nc(C4CC4)no3)nc2C1 276013204 QGZATYIEEOTJIJ-CQSZACIVSA-N 313.405 2.886 0 50 DFAA Cc1ccnc(-n2nc(C)cc2NC(=O)[C@@H]2CCCO[C@H]2C)c1 278580275 YCGYGKLYZMJFKQ-UONOGXRCSA-N 314.389 2.638 0 50 DFAA COc1ccc2cccc(CC(=O)N[C@H](C)c3ncc[nH]3)c2c1 170617840 CUEUEXIDYBKNIG-GFCCVEGCSA-N 309.369 2.991 0 50 DFAA CC[C@@](C)(CNC(=O)c1cccnc1C(F)(F)F)[C@H](C)O 170607687 SQBXWNMKMHVPLM-ZANVPECISA-N 304.312 2.627 0 50 DFAA Cc1cc2c(N3CCC(Cn4cncn4)CC3)ncnc2s1 302459498 UHXSTZWHHVBVKV-UHFFFAOYSA-N 314.418 2.508 0 50 DFAA CC(C)(C)n1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)nn1 190020369 AZOVCRVBOZEDQJ-CYBMUJFWSA-N 302.353 2.590 0 50 DFAA COc1cccc(CN[C@H]2CCN(c3ncccc3Cl)C2)n1 191315947 OSBBPZMVRWAXLG-ZDUSSCGKSA-N 318.808 2.507 0 50 DFAA Cn1cccc1[C@H]1COCCN1C(=O)c1cc2sccc2[nH]1 192211563 PSOIXAHDPHYHTQ-CQSZACIVSA-N 315.398 2.782 0 50 DFAA CCS(=O)(=O)N(CCc1cccs1)Cc1cccnc1 193700250 PKNBFRSDWZKLJJ-UHFFFAOYSA-N 310.444 2.538 0 50 DFAA CCOc1cc(C(=O)N[C@H](C)c2cnccn2)cc(Cl)c1O 653770427 OVLAACYTKPNRGD-SECBINFHSA-N 321.764 2.725 0 50 DFAA CC[C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)[C@H](CC)CO1 659327390 NGSCFLQWCOBVMD-BFYDXBDKSA-N 302.418 2.637 0 50 DFAA CC(C)Oc1cncc(C(=O)N[C@@H](CCO)c2cccs2)c1 761924337 MCPQKDAPGYLCQU-AWEZNQCLSA-N 320.414 2.784 0 50 DFAA CCCn1cc(NC(=O)c2ccnn2C2CCCC2)ccc1=O 764918545 BQSCROXPXOBLEF-UHFFFAOYSA-N 314.389 2.822 0 50 DFAA O[C@H](COc1ccccc1Br)CN1CCCCC1 319165 KLBCAIPPVSRHBK-LBPRGKRZSA-N 314.223 2.675 0 50 DFAA in-vitro O=C(O)c1c[nH]c2c(Br)c(Cl)ccc2c1=O 236464034 ZMFWBEBRSVPSSW-UHFFFAOYSA-N 302.511 2.642 0 50 DFAA CC(C)n1cc(NC(=O)N(C)C2CCN(C3CC3)CC2)cn1 1615058264 NGFFCXFJUXJKAV-UHFFFAOYSA-N 305.426 2.555 0 50 DFAA Cc1c(N2CC[C@@H](O)[C@H](CO)C2)nc2ccc(F)cc2c1Cl 1615548971 GDGRDDOLNIYZMN-IINYFYTJSA-N 324.783 2.515 0 50 DFAA Cc1c(F)cccc1C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615737658 PGGHJZVANPPXSQ-YOEHRIQHSA-N 314.360 2.517 0 50 DFAA O=C(Nc1ccccc1C(F)(F)F)N1C[C@H]2C[C@H](O)[C@H]2C1 1772815045 CKVJELOYXHCJSV-PTRXPTGYSA-N 300.280 2.550 0 50 DFAA Cc1nc(NCCc2nc(C(=O)O)cs2)c2ccsc2n1 1772814232 PAJOKXDAIOKMDP-UHFFFAOYSA-N 320.399 2.809 0 50 DFAA C[C@@H](CNC(=O)COc1cccc2ccccc12)CN(C)C 5027180 RRWPYGJSQTUTDQ-AWEZNQCLSA-N 300.402 2.533 0 50 DFAA CCCc1cc(=O)oc2c(C)c(O)c(-c3ccnc(N)n3)cc12 12901845 TZBVKMMOCKWTTM-UHFFFAOYSA-N 311.341 2.799 0 50 DFAA biogenic O=C(NC1CC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 15681550 UFDLEMSZJMVDPR-UHFFFAOYSA-N 310.332 2.694 0 50 DFAA COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1)CCCC2 169752761 RLLKJJNBYBVSJK-UHFFFAOYSA-N 316.332 2.585 0 50 DFAA CCC(=O)N1CCC[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]21 200539064 ZLOCJTIZOVLBGV-ZBFHGGJFSA-N 318.392 2.689 0 50 DFAA CC(C)COc1cccc(CN2C[C@H]3CCCN3C(=O)[C@@H]2C)c1 1857687702 AIGXDHIKBXMXQD-DOTOQJQBSA-N 316.445 2.917 0 50 DFAA COc1ccccc1CN(CCCC(=O)O)C[C@H]1CCCO1 116351169 FYKQBLQAQZCOIH-OAHLLOKOSA-N 307.390 2.541 0 50 DFAA CCN(C)[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(C)(O)C2)c1ccccc1 241316979 LWOYHSNRJWWNCL-YESZJQIVSA-N 316.445 2.584 0 50 DFAA OC[C@@H]1C[C@H](F)CN1Cc1cn2cc(Cl)cc(Cl)c2n1 346354309 HASVFMBWXHHJIG-ONGXEEELSA-N 318.179 2.546 0 50 DFAA COCC[C@H]1CCCCN(C(=O)c2cncnc2C(C)C)C1 368760612 GYADQXZQUCUBNQ-CQSZACIVSA-N 305.422 2.879 0 50 DFAA Nc1ccnc(CN2CCC(Oc3ccccc3Cl)CC2)n1 157387811 OOTICSUOBXUDQJ-UHFFFAOYSA-N 318.808 2.756 0 50 DFAA Cc1cc(C2CC2)nc(NC(=O)COc2ccc(F)c(F)c2)n1 905660175 WAHIRJBLRKQMNM-UHFFFAOYSA-N 319.311 2.958 0 50 DFAA NC[C@@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Cl 131163403 DZSZXNVOSLMYNU-JTQLQIEISA-N 301.217 2.876 0 50 DFAA CN(C)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 46569 ADDQXEDWJOPRKR-MRXNPFEDSA-N 324.384 2.514 0 50 DFAA NCC1CC(CC(=O)N2CCC[C@H]2Cc2ccc(F)cc2F)C1 2325797685 MQISKDWXPRLJGB-ZUEPYMLJSA-N 322.399 2.873 0 50 DFAA CC[C@H](NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)NC 891378982 AMBMXXRYGJOFAV-INIZCTEOSA-N 302.418 2.528 0 50 DFAA Cc1onc(C(=O)O)c1C(=O)Nc1cccc(C(F)(F)F)c1 169970 HEYOBNARZABBEQ-UHFFFAOYSA-N 314.219 2.952 0 50 DFAA CCOC(=O)c1c(C)c(C(=O)NCc2cccs2)c(C)n1C 253951 QDPZUGGRAHDKPF-UHFFFAOYSA-N 320.414 2.810 0 50 DFAA COC(=O)CCC(=O)Nc1ccc(Br)c(Cl)c1 356363 LLFGTLMZIBRHTB-UHFFFAOYSA-N 320.570 2.994 0 50 DFAA C[C@H]1C(=O)N(Cc2cccc(F)c2)Cc2nnc(C(C)(C)C)n21 2356142319 NJHPOLRHBYSEAL-NSHDSACASA-N 316.380 2.818 0 50 DFAA CCc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 2838576 UMVVDKPMMPHFHE-UHFFFAOYSA-N 300.333 2.643 0 50 DFAA O=C(NCc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1 2870062 SBEGZVANNDSCRZ-UHFFFAOYSA-N 312.247 2.553 0 50 DFAA C[C@H](O)CNCCCOc1ccc(Br)cc1Cl 2880715 HEWUCOCVVMTRDA-VIFPVBQESA-N 322.630 2.842 0 50 DFAA COC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)on1 3908405 UOHUDWBFUHOEKF-UHFFFAOYSA-N 312.281 2.974 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 6738325 QHSYJSINHKIVML-DCGLDWPTSA-N 316.401 2.978 0 50 DFAA O=C(CNC(=O)c1ccccc1F)Nc1ccccc1Cl 8286513 VZTOVKABAOOHFY-UHFFFAOYSA-N 306.724 2.848 0 50 DFAA Cc1cccc(N2CCN(c3ncnc4onc(C)c34)C[C@@H]2C)c1 8595932 HBJOFAXORFEQIO-ZDUSSCGKSA-N 323.400 2.950 0 50 DFAA Cc1nsc(NC(=O)N2CCCN(c3ccccc3)CC2)n1 55271831 ULGMRLOQYQULCW-UHFFFAOYSA-N 317.418 2.591 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348244335 MVUNQVDSUNNRSG-CVEARBPZSA-N 303.333 2.686 0 50 DFAA CC(=O)N[C@H](C)c1ccc(-n2nc(C(=O)O)c3ccccc32)cc1 67846817 KJMKTDLUXOQPTJ-LLVKDONJSA-N 323.352 2.921 0 50 DFAA CCCn1nc2c(c1C)[C@H](c1c(C)nn(C)c1Cl)CC(=O)N2 65375932 NQQKDOYNMSSGLW-JTQLQIEISA-N 321.812 2.771 0 50 DFAA COc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)cc1F 321965931 APEVBUQJWLOUCJ-LBPRGKRZSA-N 323.364 2.797 0 50 DFAA CCCC(=O)NC[C@H]1CCN(Cc2c(F)ccc(F)c2F)C1 67851768 XXVYXPBZTDVSPQ-LLVKDONJSA-N 314.351 2.842 0 50 DFAA Cc1ccc(C(C)(C)C(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 282917725 VQYXCTZKEBUZGW-HNNXBMFYSA-N 314.429 2.590 0 50 DFAA Cc1cc(OCC(=O)NC[C@H](C)CN(C)C)cc(C)c1Cl 2825772 QZWWIMDYLFVOAN-NSHDSACASA-N 312.841 2.650 0 50 DFAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CC1(N)CCC1 237535603 NHZRQMKDQOZVER-CPUCHLNUSA-N 302.418 2.635 0 50 DFAA CC(C)n1cc(C(=O)NCCCN(C)c2ccccc2)cn1 77298428 XIQYUWUKKAGSLH-UHFFFAOYSA-N 300.406 2.720 0 50 DFAA Cn1cc(C[C@H]2CCN(C(=O)Nc3ccc(F)cc3F)C2)cn1 363134553 ISYWYPRCVMMEFA-LLVKDONJSA-N 320.343 2.795 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@@H]([C@@H]2CCNC2)C1 449193100 QIAZOQVAVZEHHJ-ZIAGYGMSSA-N 315.442 2.758 0 50 DFAA COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)O)o2)cc1 237373719 MAELQJWSDPEQNL-CYBMUJFWSA-N 315.325 2.964 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)O)on2)cc1 237701795 DQNKDGLSAHASNY-AWEZNQCLSA-N 314.341 2.729 0 50 DFAA CCOc1cc(CN2CCn3c(nc(C)c3C)C2)ccc1OC 378349278 IYHYZKIMUXUNPE-UHFFFAOYSA-N 315.417 2.923 0 50 DFAA C[C@@H]1[C@@H](C(=O)N2CCC(c3nncn3C)CC2)[C@@H]1c1ccccc1 374017138 IXLVFZZSRHOLJT-RRQGHBQHSA-N 324.428 2.571 0 50 DFAA CCCNC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 13324780 QVBFZXMOIACSMO-UHFFFAOYSA-N 301.843 2.639 0 50 DFAA CCCO[C@H]1CCCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 158205598 MTQNFBHTRNRNOC-CJNGLKHVSA-N 322.453 2.640 0 50 DFAA CCn1nc(C2CCOCC2)nc1-c1noc2c1CCCC2 219630092 OLFHVFLGBLISLD-UHFFFAOYSA-N 302.378 2.726 0 50 DFAA Cc1c(CN2C[C@@H]3CC[C@H](C2)N(C)C3=O)[nH]c2ccc(F)cc12 72432103 AZDQHAAVQLMRDK-GXTWGEPZSA-N 315.392 2.668 0 50 DFAA Cc1cccc(C(=O)NCc2cn[nH]c2-c2ccc(F)cc2)n1 221416314 LBQWGSWTRJZQNF-UHFFFAOYSA-N 310.332 2.849 0 50 DFAA O=C(NCCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222442036 VFPBSKPRXHYBFY-NZBPQXDJSA-N 319.788 2.522 0 50 DFAA CC(=O)Nc1nc(CN2CCC[C@@H](c3ccncc3)C2)cs1 289248661 CEDONTGLTFKSHJ-CQSZACIVSA-N 316.430 2.876 0 50 DFAA Cc1cc(=O)cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)[nH]1 426712595 HESQADVRXAMFLI-INIZCTEOSA-N 310.397 2.949 0 50 DFAA Cc1ccc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)n1C(F)F 426475432 MZGTWAKJEBSZKY-NSHDSACASA-N 311.376 2.890 0 50 DFAA COC(=O)c1cc(NC(=O)NCC(F)(F)F)c(C)cc1C 239475395 ANYYWJWTTBCPCA-UHFFFAOYSA-N 304.268 2.774 0 50 DFAA Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1 239309167 HFWAHWIOXYPHKM-RIMFYDMWSA-N 322.408 2.726 0 50 DFAA CCc1cnc(N2CC[C@@]3(CCCN(CC4CC4)C3)C2)nc1 426574795 DUGRLZASUXLBRS-GOSISDBHSA-N 300.450 2.741 0 50 DFAA C[C@H]1CC(=O)N[C@@H](C(=O)N(C)CCc2cccc3ccccc23)C1 339660993 KQGOXUGZMZPOKI-RDTXWAMCSA-N 324.424 2.755 0 50 DFAA COCc1cc(NCCCn2nc(C)c(Cl)c2C)ncn1 95353397 BSDYGIBKNBQQTQ-UHFFFAOYSA-N 309.801 2.592 0 50 DFAA O[C@@H]1CCN(c2ccnc(-c3ccccc3C(F)(F)F)n2)C1 97413224 AIQNIRDKTUNKBV-SNVBAGLBSA-N 309.291 2.733 0 50 DFAA CN1CCC[C@@H](CCC(=O)NC(C)(C)Cc2ccc(O)cc2)C1 97698869 PHGLVORRLSDIJV-INIZCTEOSA-N 318.461 2.952 0 50 DFAA C[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 245253889 IOUGDLVGAMVLPG-QUNWWBBNSA-N 305.380 2.598 0 50 DFAA COc1cccc(S(=O)(=O)Nc2ccccc2C(C)=O)c1 252491291 LKWNSBOYJUSNPX-UHFFFAOYSA-N 305.355 2.699 0 50 DFAA O=C(Nc1ccccc1F)c1ncn(-c2ccc(F)c(F)c2)n1 252511108 ZUEHGUGGIKELJD-UHFFFAOYSA-N 318.258 2.937 0 50 DFAA CC(C)n1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cn1 550445581 BIBXYSSEMQNHPV-ZDUSSCGKSA-N 316.336 2.668 0 50 DFAA Cc1nc(CC(=O)N[C@@H](C)c2nncn2C2CCCC2)cs1 299759363 GQROUPHEHMWGAQ-JTQLQIEISA-N 319.434 2.578 0 50 DFAA CCCc1cc(C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)no1 294772297 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BBIYJLBVUNDJRB-MRVPVSSYSA-N 317.614 2.536 0 50 DFAA O=C(c1cc2ccccc2cn1)N1CCO[C@H](C(F)(F)F)C1 72156935 ZYWIZWOAHXZFBY-ZDUSSCGKSA-N 310.275 2.638 0 50 DFAA CCCOc1cccc(CCNC(=O)N2CCCC[C@@H]2CN)c1 417905236 BULUPLMGGPIQDS-MRXNPFEDSA-N 319.449 2.541 0 50 DFAA CCOC(=O)CCCCN1CCO[C@H](c2ccc(F)cc2)C1 71755530 PQLLKBGSAQTUFD-INIZCTEOSA-N 309.381 2.932 0 50 DFAA C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(C(=O)O)cc1F 262389461 MPTPOQSMCMHZLP-XHDPSFHLSA-N 323.364 2.849 0 50 DFAA COc1ccc(C)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 241171014 KDOHIVFTVQIUNM-MELADBBJSA-N 317.385 2.848 0 50 DFAA Cc1ccc(-c2nccn2CCN2CCCC2=O)c(C)c1F 71768040 LSAFJXKISICTLI-UHFFFAOYSA-N 301.365 2.928 0 50 DFAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CCCc1ccc(Cl)cc1 77485215 SCKSCHXLPXFGSS-CABCVRRESA-N 320.820 2.542 0 50 DFAA COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@@H](C)C3)cc1 49551249 MIHTUPNEVYCTKG-LLVKDONJSA-N 312.369 2.761 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c(C)c1 47977435 DAVNXJQVYSDBAW-AWEZNQCLSA-N 303.406 2.636 0 50 DFAA COc1ccc(NC(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)c(C)c1 95506005 AHZRPYJYGYGVDG-ZDUSSCGKSA-N 319.405 2.525 0 50 DFAA O=C(CC1CCNCC1)N1CCC(Cc2ccccc2)CC1 238128592 RIWZSNZHJQVBMX-UHFFFAOYSA-N 300.446 2.857 0 50 DFAA CC(=O)c1ccc(N2CCN(Cc3nccs3)CC2)cc1 244882515 XTHUQRCOQQAVBC-UHFFFAOYSA-N 301.415 2.668 0 50 DFAA Cc1nonc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 244884291 YJGKLKWRBJKJHG-LLVKDONJSA-N 312.329 2.539 0 50 DFAA CSc1cccc(CN(C)C(=O)COC[C@@H]2CCCCO2)c1 252494412 NUSDLLICJXNJDL-HNNXBMFYSA-N 323.458 2.953 0 50 DFAA CC(C)NCCC(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 299749231 JNCKAWIHCNGFQS-IIDMSEBBSA-N 304.434 2.752 0 50 DFAA Cc1ncnc(C)c1C(=O)N[C@H](CCN(C)C)c1ccccc1 534631155 MROKLOJTVDPQFJ-MRXNPFEDSA-N 312.417 2.516 0 50 DFAA CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc2[nH]ncc2c1 299756816 HMHQRBQLYMKUOT-AWEZNQCLSA-N 302.378 2.986 0 50 DFAA COc1ccc(-c2cc3c(c(OC)c2)OCCNC3)cc1OC 299782428 MWCSMYLWHQWBHL-UHFFFAOYSA-N 315.369 2.861 0 50 DFAA O=C(O)c1c(Cl)ccc(I)c1F 642814618 NFKDAMRKDNRQTD-UHFFFAOYSA-N 300.454 2.782 0 50 DFAA CN(Cc1cnc(NCc2ccccc2)nc1)CC1(C)COC1 823683748 KNYCZPZNPIGXGV-UHFFFAOYSA-N 312.417 2.557 0 50 DFAA O=C(O)[C@@H]1C[C@H]2C[C@H](CN(Cc3cnccn3)C2)c2ccccc21 665887168 MCWMUINNXGHLPT-HBUWYVDXSA-N 323.396 2.654 0 50 DFAA CC1(C)CN[C@@H]1C1CCN(C(=O)N2CCc3ccccc32)CC1 585137025 DHYRGGMANZBZIU-QGZVFWFLSA-N 313.445 2.879 0 50 DFAA O=C(NCc1cnc2c(c1)CCC2)N1CCc2ccccc2C1 584897974 DAYGUDVFBWZMFV-UHFFFAOYSA-N 307.397 2.838 0 50 DFAA CCc1ncnc(N2CC(c3cnc4ccccc4n3)C2)c1F 952992431 MYWNWKCEBUWHRU-UHFFFAOYSA-N 309.348 2.725 0 50 DFAA C[C@@H]1[C@@H](CN2C(=O)C[C@@H](C3CCOCC3)NC2=O)CCC[C@H]1C 1875278891 SVIHRTMSRWPUPO-CLWVCHIJSA-N 322.449 2.796 0 50 DFAA c1ccc([C@H](NCc2cnc3n2CCCC3)c2cnc[nH]2)cc1 1875285462 NYXJYOLSTKNLAO-SFHVURJKSA-N 307.401 2.822 0 50 DFAA Cc1cc(CNC(=O)[C@@H](CN)c2ccc(Cl)cc2)cc(C)n1 1875311461 ZVDCQDPKUOKFLS-INIZCTEOSA-N 317.820 2.711 0 50 DFAA NC(=O)[C@@H]1CCN1[C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 1875306040 QNDXYVBUZFDXFL-RDBSUJKOSA-N 312.335 2.901 0 50 DFAA C[C@H](NCc1ccc2cccc(Cl)c2n1)c1nncn1C 952969529 BRXAIUBJLUVGNY-JTQLQIEISA-N 301.781 2.868 0 50 DFAA Cc1c(C(=O)Nc2cccc(-c3cnc[nH]3)c2)cnc2ccnn12 952966793 KASVQUJRKKCTRS-UHFFFAOYSA-N 318.340 2.680 0 50 DFAA Cc1cccc2c(CC(=O)NCc3n[nH]c4c3CCCC4)c[nH]c12 1775988255 OMHGDJDGWGNHKP-UHFFFAOYSA-N 322.412 2.937 0 50 DFAA Cc1cscc1NC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1 275667043 CCLYRBSLTCWOKZ-SMDDNHRTSA-N 320.418 2.832 0 50 DFAA CC1(C)CCN(C(=O)c2cccc3c2OCCO3)CCS1 279039346 BLNDECLWMIRYTB-UHFFFAOYSA-N 307.415 2.816 0 50 DFAA CCN1CCN([C@H]2CCN(Cc3ccc(SC)cc3)C2)CC1 171530024 GCCLHZGPQVRAAP-KRWDZBQOSA-N 319.518 2.620 0 50 DFAA Cc1cccc2ccnc(NC[C@H]3COC4(CCOCC4)O3)c12 585092866 RGCQWZOBFLQAIX-HNNXBMFYSA-N 314.385 2.877 0 50 DFAA O=C1NCCCN1c1cccc(Nc2ncncc2Cl)c1 302689006 YYDGSXPHLZCGCW-UHFFFAOYSA-N 303.753 2.793 0 50 DFAA CC(C)c1ccoc1C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 408021910 KFXWJURZAIPZEP-UHFFFAOYSA-N 321.421 2.621 0 50 DFAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccccc1Br 222624939 PUDLSXAQXLINRP-KBPBESRZSA-N 323.234 2.806 0 50 DFAA Cc1ccn(C)c1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 190396200 SDBQHJLQXOMMQL-IUODEOHRSA-N 320.339 2.560 0 50 DFAA CN(C)c1nccc(CNC(=O)c2cccc3ccccc23)n1 224235920 DBNNDWKTOGJASC-UHFFFAOYSA-N 306.369 2.626 0 50 DFAA C[C@H](NCc1csnn1)c1nc(-c2cccc(F)c2)no1 191532617 PGMVJDHKAGIAAP-QMMMGPOBSA-N 305.338 2.578 0 50 DFAA C[C@H](NCc1nc(N(C)C)no1)c1ccc2c(c1)CCCC2 192777930 SKLGJXRGPISLJN-LBPRGKRZSA-N 300.406 2.865 0 50 DFAA CCCn1nccc1NC(=O)c1cn2cc(Cl)ccc2n1 1529167981 SRKMFTQOAYLKQX-UHFFFAOYSA-N 303.753 2.847 0 50 DFAA Cc1cc(Cl)cc2c(NCCN3CCNCC3)ccnc12 1529134065 ZLKJKTSUCXMUQM-UHFFFAOYSA-N 304.825 2.514 0 50 DFAA Cc1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C 1529189826 ZNGXUIHYGIFOQZ-SJLPKXTDSA-N 310.397 2.686 0 50 DFAA CC(C)Cn1nccc1NC(=O)c1ncccc1Br 252490702 KZGJEXULDAJWPQ-UHFFFAOYSA-N 323.194 2.949 0 50 DFAA c1ccc2[nH]c(CN3CCC[C@]4(CCc5c[nH]nc54)C3)nc2c1 1800414516 RJUVMJOXPQMKIA-SFHVURJKSA-N 307.401 2.766 0 50 DFAA O=C(NCc1nc(CO)cs1)[C@H]1CC[C@H](c2ccccc2)C1 1615050562 HKQPMYVFEYUCKD-KBPBESRZSA-N 316.426 2.836 0 50 DFAA Cc1cn(C)nc1CNc1ccc2c(c1)nc(C)n2[C@H](C)CO 1620964048 YXWNHTRCRYKXFI-GFCCVEGCSA-N 313.405 2.552 0 50 DFAA O=C(Cc1cccc2ccccc12)NCn1nnc2ccccc21 5518902 XLIXFYODLPBGBR-UHFFFAOYSA-N 316.364 2.901 0 50 DFAA O=C(Cc1c(O)[nH]c2ccccc2c1=O)Nc1ccccc1F 16675624 YBSWVNWUEUMYPR-UHFFFAOYSA-N 312.300 2.554 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)cc1 19760212 GQBGZHSXGQPOQU-CQSZACIVSA-N 319.430 2.595 0 50 DFAA O=C(C(=O)N1CCc2ccccc2C1)c1c[nH]c2ccccc12 4163071 CVZIRDLTVVTXNF-UHFFFAOYSA-N 304.349 2.936 0 50 DFAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1 4857582 XGXRHRIRNGWJIT-INIZCTEOSA-N 305.418 2.751 0 50 DFAA Cc1cccnc1CNC(=O)N(C)Cc1cc(Cl)cn1C 150732613 BTRNFKSFDROZNZ-UHFFFAOYSA-N 306.797 2.724 0 50 DFAA COC(OC)[C@H](NC(=O)c1cc(Cl)cn1C)c1ccccc1 408515391 GUTATZVZNALEKF-CQSZACIVSA-N 322.792 2.769 0 50 DFAA C[C@H](C(=O)O)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1 414445182 GTAYZZISISZWBX-JTQLQIEISA-N 311.341 2.794 0 50 DFAA C[C@H](O)C[C@H]1COCCN1c1ncc(C(F)(F)F)cc1Cl 129969206 HOPHQFLKQIQGIA-WPRPVWTQSA-N 324.730 2.730 0 50 DFAA CN(C)c1ccccc1CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 248533138 IIAHEIPLPSLTMJ-JQFCIGGWSA-N 302.418 2.970 0 50 DFAA COc1ccc(CC(=O)N2CC[C@H]2c2ccccc2F)nc1 365326581 WNRZMWYBNJCDOH-INIZCTEOSA-N 300.333 2.745 0 50 DFAA Cn1ccnc(N2CCC(c3cccc4cnccc34)CC2)c1=O 369341695 FMDAGOWUXSNKDX-UHFFFAOYSA-N 320.396 2.713 0 50 DFAA CCCCCOCC(=O)N[C@@H](CO)c1csc(C(C)C)n1 585127399 ZGHVKAHZGPSYJN-LBPRGKRZSA-N 314.451 2.623 0 50 DFAA O=C(NC1CCOCC1)c1ccc(-c2cc(F)ccc2F)cn1 904842065 PTXGJVVDWUTXDF-UHFFFAOYSA-N 318.323 2.936 0 50 DFAA O=C(Nc1ccc2nc(O)n(C3CC3)c2c1)[C@H](F)C(F)(F)F 830319923 VEVDPQUJUWADJF-JTQLQIEISA-N 317.242 2.916 0 50 DFAA OCC[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1ccccc1F 830351089 NRHDAZQAXYSYKP-IAGOWNOFSA-N 307.340 2.712 0 50 DFAA Cn1nnnc1CN1CC[C@H](c2ccc(Cl)cc2)C1(C)C 932282535 SZYBKJQOOIJUBE-CYBMUJFWSA-N 305.813 2.632 0 50 DFAA CCCSCc1ccc(C(=O)NC(CC)(CC)C(N)=O)o1 2325789640 ARRRVCSUCFZGDM-UHFFFAOYSA-N 312.435 2.697 0 50 DFAA Cc1nc(NC(=O)[C@H]2CCOc3c(F)cccc32)n(C)c1C 2325790180 WGXOSDBRNQJNGP-LBPRGKRZSA-N 303.337 2.681 0 50 DFAA N[C@H]1CCCc2ccc(C(=O)N=c3cc[nH]c4ccncc34)cc21 2325857205 STZIDUATTXAKJM-INIZCTEOSA-N 318.380 2.640 0 50 DFAA Oc1cccc(-c2noc(CNCc3cc4cnccc4[nH]3)n2)c1 2325859730 ITISHGFAUFEPSW-UHFFFAOYSA-N 321.340 2.608 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)NC(=O)N1 115919 GUWNURBUEPOKHF-OAHLLOKOSA-N 316.357 2.506 0 50 DFAA O=C1C[C@@H](N2CCc3ccccc32)C(=O)N1c1ccc(F)cc1 299025 IFSBPJPLWAOFTK-MRXNPFEDSA-N 310.328 2.520 0 50 DFAA CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 470110 FQALDSHJTVEMEZ-UHFFFAOYSA-N 305.399 2.906 0 50 DFAA CN(C(=O)c1cnc2c(c1)CCCC2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356138951 UCGXRHAOMATGQL-MDBPOYHNSA-N 314.429 2.582 0 50 DFAA Cn1cc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)c2cccnc21 2356164450 TWBWWTCOEHYMGD-IEBWSBKVSA-N 321.424 2.924 0 50 DFAA O=C(O)CCC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10279119 UMTRSGWDHZCXEA-UHFFFAOYSA-N 318.373 2.552 0 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AIRDVWOTHOCNTJ-UHFFFAOYSA-N 317.824 2.635 0 50 DFAA Cc1cc(NC[C@@H]2Cc3ccccc3CN2C)n2nccc2n1 72411575 OUVYYYLCPMMGHY-INIZCTEOSA-N 307.401 2.506 0 50 DFAA COC(=O)CC1(CSc2nnc(C(F)(F)F)s2)CC1 234636081 HSTYOJQQIRZTBY-UHFFFAOYSA-N 312.338 2.992 0 50 DFAA CC(=O)c1csc(C(=O)Nc2ccc3c(c2F)CCNC3)c1 261796477 VDEJEGROEKNIER-UHFFFAOYSA-N 318.373 2.988 0 50 DFAA Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cc[nH]c1C 370206960 QWYTWTHLAYPKRK-GFCCVEGCSA-N 306.797 2.996 0 50 DFAA O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccnn1CC(F)F 370510600 YMRGPLOGUIGMBJ-UHFFFAOYSA-N 317.299 2.791 0 50 DFAA NC(=O)[C@@H]1CC[C@H](NCc2ccc(Cl)c3cccnc23)C1 449744578 IGDGCRCVJKGJCF-PWSUYJOCSA-N 303.793 2.632 0 50 DFAA Cc1cccc2c1NC(=O)[C@H]2CC(=O)N1C[C@H]2CC=CC[C@H]2C1 71763901 XGYDYFDQPKNDDR-LZWOXQAQSA-N 310.397 2.845 0 50 DFAA CCNC(=O)C1(NC(=O)C[C@H](C)c2cccc(F)c2)CCCC1 241277544 LGZRYAXICLYAOO-ZDUSSCGKSA-N 320.408 2.884 0 50 DFAA O[C@H](CN1CCC[C@H]1c1cccc(Cl)c1)Cn1cccn1 241588556 PEALOJFBGAMMRF-CVEARBPZSA-N 305.809 2.735 0 50 DFAA COc1ccc2c(c1)C[C@H](Nc1ccc3c(c1)OCC(=O)N3)CC2 133020418 DDVBDOQXMXLIJC-CQSZACIVSA-N 324.380 2.996 0 50 DFAA C[C@H]1CCc2c(C(=O)Nc3c[nH]c(C(N)=O)c3)csc2C1 176749518 LQLMKBKTDRMUBP-QMMMGPOBSA-N 303.387 2.552 0 50 DFAA CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](CNC)C1 179010214 OFJWXCPVKNXQQB-OCCSQVGLSA-N 310.825 2.565 0 50 DFAA Cc1[nH]c2ccccc2c1CCNC(=O)N(C)CC1(C)COC1 426722429 LNTHJVWUZNQORS-UHFFFAOYSA-N 315.417 2.697 0 50 DFAA Cc1c[nH]nc1CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 290456143 PBHRHNAIBARFTA-AWEZNQCLSA-N 301.365 2.952 0 50 DFAA CCCc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)no1 82157657 NBQDSLTUAQQMKY-UHFFFAOYSA-N 316.405 2.891 0 50 DFAA Cc1noc(C)c1CC(=O)NCCc1nc2ccccc2s1 45416867 CJDISRUCTMSHLP-UHFFFAOYSA-N 315.398 2.803 0 50 DFAA OC[C@@H]1CN(Cc2nc(-c3ccsc3)no2)c2ccccc21 292622558 HYTFFRHTNRUHPP-LBPRGKRZSA-N 313.382 2.894 0 50 DFAA CCN(CCOC)C(=O)c1cccc(-c2ncccc2F)c1 426442508 JCBRDEZYTNNZKP-UHFFFAOYSA-N 302.349 2.996 0 50 DFAA O=C(O)c1ccc(N2CCC[C@H](C(=O)c3ccccc3)C2)nc1 95526467 CUGHFPUDAYLVCJ-HNNXBMFYSA-N 310.353 2.879 0 50 DFAA Cc1nn(C)c2nc(N3CCN(C4CCCCC4)CC3)sc12 95515319 MXEAUHOOKWVZPF-UHFFFAOYSA-N 319.478 2.793 0 50 DFAA Clc1cc2c(cc1Cc1nc([C@@H]3CCOC3)no1)OCCO2 96150716 USJBDOVZPBEEQD-SECBINFHSA-N 322.748 2.589 0 50 DFAA CC(C)c1cc(CN2CCC[C@H](c3cc(O)ncn3)C2)on1 240203827 JTTLWCXJBLLHCI-LBPRGKRZSA-N 302.378 2.673 0 50 DFAA CCCOc1ccccc1CNC(=O)N1CCCC[C@H]1CCO 534658164 YPSWFAVLGWSTIK-INIZCTEOSA-N 320.433 2.922 0 50 DFAA Cc1cccc(N2CCC(NC(=O)c3cnc(C)nc3C)CC2)c1 299796070 NPCQTHPGIXQSND-UHFFFAOYSA-N 324.428 2.801 0 50 DFAA COc1cccc(C)c1C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 824792501 JVNMCGCNGSJCCM-CXTCDGGRSA-N 315.413 2.817 0 50 DFAA O=c1c2cc(Cl)cc(Cl)c2ncn1CCc1cnc[nH]1 584893205 LQODPSYSPBEKPY-UHFFFAOYSA-N 309.156 2.669 0 50 DFAA O=C(Nc1cnn(CC(F)F)c1)c1cccc([C@H]2CCOC2)c1 270483537 AIPSNEFSLDGBBO-ZDUSSCGKSA-N 321.327 2.904 0 50 DFAA O=C(NC1CCCC1)c1ccccc1OC[C@H]1C[N@@]1CC1CC1 1875385096 MQQYECIJSSUEEZ-IIBYNOLFSA-N 314.429 2.832 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2ccnn2C(C)C)c1C 952962786 FYTNVLNIOVAPPK-UHFFFAOYSA-N 313.361 2.915 0 50 DFAA c1cnnc(NC2CCN(Cc3ccc4c(c3)CCCO4)CC2)c1 891955402 KRWNSKWJQPJCCZ-UHFFFAOYSA-N 324.428 2.878 0 50 DFAA CC[C@H](NC(=O)Nc1ccc(OC)c(F)c1)c1noc(C)n1 1434682216 VWRNPOQFCICARZ-NSHDSACASA-N 308.313 2.799 0 50 DFAA C[C@]1(O)CCCN(C(=O)c2ccc(-c3cnco3)cc2)CC1 280635007 RKZDQWGELPGIHA-KRWDZBQOSA-N 300.358 2.719 0 50 DFAA Fc1ccc([C@@H]2CN(CCc3ccncc3)CCO2)c(F)c1 187290609 BARYGTBWAJJPGD-KRWDZBQOSA-N 304.340 2.976 0 50 DFAA CCCCCOCC(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 585128966 SHCKQOTZZLGBIY-HNNXBMFYSA-N 304.390 2.783 0 50 DFAA CC[C@H]1[C@H](C)CCN1S(=O)(=O)CCc1noc2ccccc12 585115754 RCDWBMKKUXIBMN-DOMZBBRYSA-N 322.430 2.821 0 50 DFAA CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C1 408521553 YTEKWMKWYSEKQW-LSDHHAIUSA-N 322.380 2.665 0 50 DFAA CN1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C(C)(C)C1 225530619 WDAUTKRSJPSEMW-RYUDHWBXSA-N 308.372 2.621 0 50 DFAA O=c1ccc(F)cn1Cc1nnc(-c2ccc(Cl)cc2)o1 190752546 LNAAMOFOXCSRFM-UHFFFAOYSA-N 305.696 2.739 0 50 DFAA Cc1cc(C)n2ncc(-c3noc([C@H]4CCOC[C@H]4C)n3)c2n1 194882224 JYPFPSSCDAPCIC-SKDRFNHKSA-N 313.361 2.536 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3cccc4ncccc34)C[C@H]2O)on1 1529159739 YLIPOLAZSUFLFM-DNVCBOLYSA-N 323.396 2.567 0 50 DFAA Cc1cc(C[C@@H]2CN(c3cc(C)c4ccccc4n3)C[C@H]2O)on1 1704311678 POYADBKJBOPXPC-RDTXWAMCSA-N 323.396 2.879 0 50 DFAA Cc1c(C(=O)NC[C@H](C)CCCO)ccc2cnc(C3CC3)n12 1615627121 VXJLDOXSJCOJGC-GFCCVEGCSA-N 315.417 2.659 0 50 DFAA C[C@H](NC(=O)c1ccc(Br)s1)[C@H]1CCCO1 1056670 HIOQDZBEJGRRTQ-JGVFFNPUSA-N 304.209 2.808 0 50 DFAA Cc1ncc(CN(CCO)Cc2cccc(OCC(C)C)c2)[nH]1 1772701288 MZUSGANRRMATBZ-UHFFFAOYSA-N 317.433 2.747 0 50 DFAA CN1C[C@H](CN2CCC(Oc3ccc(F)cc3)CC2)CCC1=O 1772808411 PGRHQMZKVZPABP-CQSZACIVSA-N 320.408 2.537 0 50 DFAA Oc1cc(F)c(-c2cc(N3CCC(O)CC3)ncn2)cc1Cl 1772812950 RVEYPTUAGQBDFG-UHFFFAOYSA-N 323.755 2.603 0 50 DFAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1 5116168 IOWWMHWDGFAYAF-UHFFFAOYSA-N 317.414 2.762 0 50 DFAA Cc1cccc(C)c1Oc1ncccc1CNS(C)(=O)=O 12076025 BXHHAYQBBLRILW-UHFFFAOYSA-N 306.387 2.540 0 50 DFAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cccnc1 12715996 BHVFIIIAAKLUDA-QGZVFWFLSA-N 301.434 2.856 0 50 DFAA O=C(N[C@@H]1CCCN(C2CCCCCC2)C1)C1CCOCC1 14960774 IBJODXAVDVMMDV-MRXNPFEDSA-N 308.466 2.716 0 50 DFAA O=c1[nH]c2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 18322991 YZAGMQVSLPFPGC-UHFFFAOYSA-N 307.136 2.986 0 50 DFAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC(=O)[C@]3(C)C2)c(C)c1 169690403 XEHASGGCKVTPLQ-SFUIVIKGSA-N 311.381 2.798 0 50 DFAA Cn1ccc2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc21 206912763 GGQSWVFVBVTNGD-APWZRJJASA-N 312.413 2.946 0 50 DFAA biogenic CCc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O 4121134 WGQQSMBFZRXMEB-UHFFFAOYSA-N 313.382 2.879 0 50 DFAA CCCn1nc([C@H]2CCOC2)nc1-c1nc2ccccn2c1C 1857670795 CFCRSZFHQRVFRV-ZDUSSCGKSA-N 311.389 2.815 0 50 DFAA CN(CCCOc1ccc(Cl)cc1)C[C@@H]1CCC(=O)N(C)C1 1857685526 LVPKJGXVZSCHIA-AWEZNQCLSA-N 324.852 2.909 0 50 DFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(C(N)=O)c2)C1 113213664 NZWCIUMYENZYOA-HXUWFJFHSA-N 322.408 2.979 0 50 DFAA C[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)NCc1ccco1 126867500 PBVWDABHOZYTKY-SRVKXCTJSA-N 318.339 2.995 0 50 DFAA CC(C)(C)OC(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 132392931 CEDVAXOUBFPERN-HOTGVXAUSA-N 318.417 2.507 0 50 DFAA in-vitro CC(C)c1[nH]ccc1C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 375742179 GYOCQBSKBXZVIU-CQSZACIVSA-N 317.433 2.755 0 50 DFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CC[C@H](n2cc(C3CC3)nn2)C1 585127569 DKLNQXBQBVOHJF-HNKHHVNMSA-N 314.433 2.755 0 50 DFAA O=C(O)c1cccc(N2CCCN(c3ccccc3F)CC2)n1 263375054 BEYQUWZGCGAZCN-UHFFFAOYSA-N 315.348 2.636 0 50 DFAA CCn1cc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)nn1 935301490 DKROCZRTCLFFHT-UHFFFAOYSA-N 316.695 2.805 0 50 DFAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC1)OCCO2 5041691 PIUUKJSBOOVLHW-UHFFFAOYSA-N 320.433 2.504 0 50 DFAA COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1 183564 BYOULEODPGLFKX-UHFFFAOYSA-N 307.371 2.646 0 50 DFAA Cc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 571560 QKTFQQSVWBYQHH-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA O=C(O)c1cc(NCc2cccs2)ccc1N1CCOCC1 4038080 ZBMHFRJYKNUWID-UHFFFAOYSA-N 318.398 2.895 0 50 DFAA O=C(NCCc1ccc(F)cc1)c1nc(-c2ccccc2)no1 6746987 ZXRPGCMHGKLDNZ-UHFFFAOYSA-N 311.316 2.848 0 50 DFAA O=C(Cn1ncc2ccccc2c1=O)Nc1ccccc1Cl 8240399 VZEVCBIGMFNUJB-UHFFFAOYSA-N 313.744 2.689 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 248114254 IGMLRLKPKYAZHI-UONOGXRCSA-N 320.458 2.520 0 50 DFAA O=C(NCc1ccco1)C1CCN(C[C@H]2CC=CCC2)CC1 22241682 KXQXKGHRFDKSQY-HNNXBMFYSA-N 302.418 2.964 0 50 DFAA CCN(Cc1cnc2ccccn12)C[C@@H]1COc2ccccc2O1 172719170 CPGDILJWPCEJCI-MRXNPFEDSA-N 323.396 2.996 0 50 DFAA Cc1csc(CN(C)C(=O)Nc2ccc3c(c2)OCCO3)n1 172420648 AYSIFEJWESURRX-UHFFFAOYSA-N 319.386 2.887 0 50 DFAA CC(C)c1cc([C@@H]2CC(=O)Nc3cc4oc(=O)[nH]c4cc32)on1 65383173 JRVWJONNHMVQFQ-SECBINFHSA-N 313.313 2.707 0 50 DFAA Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)cc1 77440011 PBPXOCZSXVOXIT-SFHVURJKSA-N 316.445 2.849 0 50 DFAA CCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2CCO)C1 252486176 GJGABFNRPNAOJX-HZSPNIEDSA-N 300.468 2.607 0 50 DFAA COC(=O)N1CCC(OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 151849270 REBNVQJWHOFCPR-KBPBESRZSA-N 309.406 2.999 0 50 DFAA Cc1nn(C)c2ncc(C(=O)N3CC[C@@H](c4ccccc4)C3)cc12 121662251 ZTSSXNVINZQRNK-OAHLLOKOSA-N 320.396 2.906 0 50 DFAA Cn1c(CCNC(=O)c2cccc(F)c2)nnc1-c1ccccc1 361537595 PMGFFKBZPDBROC-UHFFFAOYSA-N 324.359 2.594 0 50 DFAA O=C(N[C@H](CC(F)(F)F)C(=O)O)c1ccc2c(c1)CCCC2 261980528 AKLQGUOLZFWEJM-GFCCVEGCSA-N 315.291 2.701 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)Nc1ccnn1C 328616637 BWYAEFNBSSEOHK-LLVKDONJSA-N 319.434 2.769 0 50 DFAA Fc1cc(CNC[C@@H]2CCc3nccn3C2)c2ncccc2c1 328631399 KMUZLGKKGFYEBW-ZDUSSCGKSA-N 310.376 2.923 0 50 DFAA CCCCN1CCN(Cc2cccc([C@H](C)N(C)C)c2)CC1=O 215142729 SYTWEXMYRBJLTB-INIZCTEOSA-N 317.477 2.754 0 50 DFAA CCOC(=O)c1csc(CN2CCC[C@@H]2c2cc(C)no2)n1 432936024 BZZYPLOQNOLWIV-GFCCVEGCSA-N 321.402 2.953 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCCc3c[nH]nc32)nn1[C@@H](C)C1CC1 329392552 VVDPQUCDSPBNMI-SMDDNHRTSA-N 313.405 2.693 0 50 DFAA CC[C@H]1CN(CCCOC)CCC(=O)N1Cc1ccccc1 71764987 ISHQNWMUOJXRSH-KRWDZBQOSA-N 304.434 2.536 0 50 DFAA COc1ccc(/C(C)=C/C(=O)N2CCC[C@H]([C@H](C)N)C2)cc1 156301575 HQZKPTMODFPABD-QNICALHASA-N 302.418 2.684 0 50 DFAA Cc1nc(CN(Cc2scnc2C)C[C@H]2CCNC2)oc1C 261724295 XCCPULHLTPZEEK-AWEZNQCLSA-N 320.462 2.668 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2CCC(=O)O)n1 262114782 FPEGWBHXKSETOD-HUUCEWRRSA-N 321.421 2.697 0 50 DFAA COC(=O)[C@@]12CCC[C@H]1CN(c1noc(-c3ccccc3)n1)C2 158428624 LBZHXVOBAXRSAV-SUMWQHHRSA-N 313.357 2.516 0 50 DFAA Cc1ccc(CC(=O)Nc2nc3c(s2)CSCC3)cn1 376156920 ILMHICDTPWVTDY-UHFFFAOYSA-N 305.428 2.817 0 50 DFAA CCCCOCC(=O)N1CCC[C@@H](Nc2ccc(OC)cc2)C1 72149125 VKYLMLJUHAFIIJ-MRXNPFEDSA-N 320.433 2.915 0 50 DFAA O=C(c1ccncc1)N1CCC(Oc2cccc(F)c2)CC1 72351042 XCTUDKNNYWPPML-UHFFFAOYSA-N 300.333 2.904 0 50 DFAA O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC([C@H]2CCOC2)C1 377131951 HNLWCNRMYCKBQJ-NSHDSACASA-N 304.777 2.930 0 50 DFAA COCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 77288050 NZTYOGKVNRGKKJ-OAHLLOKOSA-N 313.401 2.738 0 50 DFAA Cn1ccnc1-c1ccc(-c2cccc(-c3ccn[nH]3)c2)nn1 215418701 GONMQBIFUITRHD-UHFFFAOYSA-N 302.341 2.934 0 50 DFAA Cc1ccnc(Oc2cccc(C(=O)NCc3cccnc3)c2)n1 77134093 HMMKGEVKEWJMOV-UHFFFAOYSA-N 320.352 2.902 0 50 DFAA CC(C)[C@]1(C(=O)O)CCN(C(=O)CC(C)(C)C(F)(F)F)C1 263530784 MHEIENBFSGTVTN-ZDUSSCGKSA-N 309.328 2.924 0 50 DFAA Cn1cnnc1CC1CCN(Cc2ccc3[nH]ccc3c2)CC1 82114562 YYYHYYJJKSDRFK-UHFFFAOYSA-N 309.417 2.751 0 50 DFAA COc1cccc(Cl)c1[C@@H](C(=O)O)N1CCSCC1 95380530 DPQMETFQCJGOOX-LBPRGKRZSA-N 301.795 2.523 0 50 DFAA Cc1cccnc1NCCNc1nc2c(s1)c(C)nn2C 95521762 QGEKCUJCGUSANJ-UHFFFAOYSA-N 302.407 2.566 0 50 DFAA CO[C@@H]1CCCOC12CCN(C(=O)c1cc(C(C)C)on1)CC2 96164041 OYPCPGMMQHFABR-OAHLLOKOSA-N 322.405 2.598 0 50 DFAA COc1cccc(CCNC(=O)CCc2cn3ccccc3n2)c1 97527333 GEYTVQFGOVDGLB-UHFFFAOYSA-N 323.396 2.634 0 50 DFAA CN(C)CC[C@@H](NC(=O)CN1CCCCCC1)c1ccccc1 299765779 ASSFBVQCISCECV-GOSISDBHSA-N 317.477 2.672 0 50 DFAA CCc1csc(CCNc2ncc(F)c(N3CCCC3)n2)n1 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NIIUFRAOAAKVMG-MJVIPROJSA-N 309.312 2.534 0 50 DFAA CN1CCC(C)(CN(C/C=C/c2ccccc2)CCO)CC1 63857112 BZVONPAEMGKFDT-RMKNXTFCSA-N 302.462 2.726 0 50 DFAA CCC(CC)CN1CCN(Cc2ccc(C)o2)[C@@H](CCO)C1 20600495 IYBMIRSBJPORPQ-KRWDZBQOSA-N 308.466 2.893 0 50 DFAA CC(C)c1nnc2n1CCN(CCCO[C@@H]1CCCCO1)[C@H]2C 253392879 YZCBMGBXIVBJKS-LSDHHAIUSA-N 322.453 2.711 0 50 DFAA Cc1ccc(C)c(-n2ncc(C(=O)Nc3cnccn3)c2C)c1 125602805 LFVXNIMKTRITQT-UHFFFAOYSA-N 307.357 2.840 0 50 DFAA O=C(Cn1ccc2ccccc21)N1CCC[C@H](Cn2ccnc2)C1 71754394 VAJYCZAHHHMKAM-MRXNPFEDSA-N 322.412 2.777 0 50 DFAA NC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccncc2)c1 368747503 GNGOJJFBNUROHD-HNNXBMFYSA-N 310.357 2.550 0 50 DFAA CCOCCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 76803094 NQGSWQPUFLJVHA-OAHLLOKOSA-N 301.390 2.961 0 50 DFAA O=C(CC1CCOCC1)N1CCN[C@@H](c2ccccc2Cl)C1 374869807 USGKIVYIENCJKX-MRXNPFEDSA-N 322.836 2.630 0 50 DFAA CNCCC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 262577104 TWVYRUNYLFHBSF-KRWDZBQOSA-N 318.367 2.974 0 50 DFAA Cc1cc(NCCCn2nc(C)cc2C)n2nc(C)c(C)c2n1 72433854 TVPOARAMAQOBGI-UHFFFAOYSA-N 312.421 2.970 0 50 DFAA Cc1cc(N2CCOC3(CCCC3)C2)n2nc(C)c(C)c2n1 72408804 GATTUDLZWRRFNZ-UHFFFAOYSA-N 300.406 2.804 0 50 DFAA O=C(O)CCCCC(=O)N1CCC[C@@H](COc2ccccc2)C1 377535616 JROMWVRMACZGDG-OAHLLOKOSA-N 319.401 2.949 0 50 DFAA Cc1ncsc1CCS(=O)(=O)N(C)C[C@H]1CC=CCC1 333440479 PNHRCNMICWTYJF-ZDUSSCGKSA-N 314.476 2.612 0 50 DFAA O=C(NCc1coc2ccccc12)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 333792420 DQCLXAPAUPDGFZ-MUIFIZLQSA-N 310.353 2.528 0 50 DFAA C[C@H]1CC[C@@H](CCC(=O)N(C)Cc2ccc(C(=O)O)cc2)O1 237554075 SQRJHUSSTBNFTP-WFASDCNBSA-N 305.374 2.691 0 50 DFAA CC(C)[C@H](NC(=O)Cn1ccc2c(Cl)cccc21)C(=O)O 36359148 HZPKLZCBGDECNU-AWEZNQCLSA-N 308.765 2.520 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 238096074 VQGOLUMXPICGHF-ZDUSSCGKSA-N 310.353 2.977 0 50 DFAA CN([C@@H]1[C@H]2CCO[C@H]2C1(C)C)S(=O)(=O)/C=C/c1ccccc1 245339470 TVLVZAXEEKADAF-UXVGIFLJSA-N 321.442 2.732 0 50 DFAA Cc1cnc([C@H](C)CNC(=O)c2ccc(C(=O)O)cc2)s1 263444187 QLHINAYGVFYPCV-SECBINFHSA-N 304.371 2.683 0 50 DFAA Cc1cc(Br)ccc1S(=O)(=O)N1CCCC1 133219240 LPLRTRHMGCFKPP-UHFFFAOYSA-N 304.209 2.542 0 50 DFAA Cc1csc(CCCNC(=O)[C@H]2Cc3ccccc3O2)n1 222405461 KETMGWGLKDLRKB-CQSZACIVSA-N 302.399 2.504 0 50 DFAA Nc1c(C(=O)c2ccccc2)oc2c(OCC(=O)O)cccc12 48564221 SZACDWGQKUUAAJ-UHFFFAOYSA-N 311.293 2.709 0 50 DFAA CCC[C@@H](NC(=O)c1c(OC)ccc(F)c1F)c1nccn1C 222442965 MZTOQVNXTJWHRV-LLVKDONJSA-N 323.343 2.978 0 50 DFAA Cc1ccnc(Sc2nnc(NCC(F)(F)F)s2)n1 265561312 SKPVFJCWFURAMJ-UHFFFAOYSA-N 307.326 2.762 0 50 DFAA CC(C)Oc1cccc(/C=C/C(=O)N2CC[C@H](N)C[C@@H]2C)c1 236751128 LKNANVDCLZIMKL-MNJDHSKXSA-N 302.418 2.825 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)N1CCN(c2ccncc2)CC1 91636493 FMXDTMOEYLTAJF-QGZVFWFLSA-N 321.424 2.850 0 50 DFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 92037990 KEOHJUQXCYSRGY-CZUORRHYSA-N 322.836 2.523 0 50 DFAA CC1(C)C[C@@H](NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)C(C)(C)O1 624239465 LSFDSKNEQKXLNT-NWANDNLSSA-N 307.438 2.813 0 50 DFAA Cc1ccc2nc(CCCNC(=O)C[C@H]3CCOC3)[nH]c2c1C 534576189 PYPGBTMNURCQOT-CQSZACIVSA-N 315.417 2.655 0 50 DFAA O=C(CCCc1nc2ccccc2[nH]1)N[C@H]1CCCc2cn[nH]c21 269044441 YZCVNMJTGDUPFP-HNNXBMFYSA-N 323.400 2.803 0 50 DFAA CCCN1CC[C@@H](Cn2cnc3cc(Cl)ccc3c2=O)C1 584884133 UJBKXQMXFUSZHT-GFCCVEGCSA-N 305.809 2.782 0 50 DFAA O=C(c1cnc2c(c1)CCCC2)N1CCC[C@@H](c2cc[nH]n2)C1 670434600 UISRLWNDZJJSBX-CQSZACIVSA-N 310.401 2.703 0 50 DFAA C[C@H](NC(=O)c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 271014546 FGJJEXSKYSNKIE-SJCJKPOMSA-N 316.376 2.744 0 50 DFAA Cc1nnc(CNC(=O)c2cc(Cl)nc(Cl)c2C)s1 1875369616 YZAJVPPURSRQQP-UHFFFAOYSA-N 317.201 2.787 0 50 DFAA CC(C)(C)c1nc(COc2cccc(N3CCC3=O)c2)no1 952884636 IZQUPVLRGROTER-UHFFFAOYSA-N 301.346 2.683 0 50 DFAA CC(C)N[C@H]1CCCN(C(=O)Cc2cccc3ncccc23)C1 878577746 MIGONWLHDQFAPU-INIZCTEOSA-N 311.429 2.766 0 50 DFAA CCc1ncc(CN(C)C[C@@H]2CCN(c3ccccc3)C2)cn1 952991007 NVUUUSURLFYKKT-INIZCTEOSA-N 310.445 2.997 0 50 DFAA Cc1cc(NCc2csc(-c3ccn(C)n3)n2)nc(C)n1 887268615 PYYNECDWYPTDSC-UHFFFAOYSA-N 300.391 2.563 0 50 DFAA COc1ccc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)nc1 890258680 VJNNQUIDSVNPEB-MRXNPFEDSA-N 318.417 2.839 0 50 DFAA Cc1cc(-c2nc(C(=O)N3CC(Cc4ccoc4)C3)co2)ccn1 890573006 CTALIJRIJAZTBH-UHFFFAOYSA-N 323.352 2.953 0 50 DFAA COc1ccccc1-c1nc(CN[C@@]23CCC[C@@H]2NCC3)co1 1775962610 VTBXXATZOOPMQT-FUHWJXTLSA-N 313.401 2.724 0 50 DFAA Cc1c(CNC(=O)NCC2=CCN(C)CC2)oc2ccccc12 272092302 NKHKCRFYSLWFSC-UHFFFAOYSA-N 313.401 2.802 0 50 DFAA CC[C@@H](C)OCc1nc(Cc2nncn2-c2ccccc2)no1 277990873 HYJIADAREXFMLK-GFCCVEGCSA-N 313.361 2.556 0 50 DFAA Cc1nccn1C[C@H]1CCCN1c1nc(O)c2ccccc2n1 278818432 SXNWZCSLIDXAMC-CYBMUJFWSA-N 309.373 2.509 0 50 DFAA C[C@]12CCCN1C(=O)N(CCOc1ccc(Cl)cc1)C2=O 170592423 QBCGBSINDXNVLQ-OAHLLOKOSA-N 308.765 2.536 0 50 DFAA CNc1ncnc2c1cnn2Cc1ccccc1C(F)(F)F 170591708 TVHITRFCVWBGIW-UHFFFAOYSA-N 307.279 2.935 0 50 DFAA O=C([C@@H]1CCCOC1)N1CCC(OCc2ccccc2)CC1 170789432 SFNSGPRPXRBUCD-MRXNPFEDSA-N 303.402 2.621 0 50 DFAA CNC(=O)[C@H]1Cc2ccccc2N1Cc1ccc(OC)c(F)c1 647945870 GHBAKCNZUGVNKC-MRXNPFEDSA-N 314.360 2.512 0 50 DFAA C[C@H]1CN(CC[C@@H](C)c2ccccc2)C[C@@H]1N1CCOCC1 194053192 GIBJZWWXIXVLPL-AOIWGVFYSA-N 302.462 2.833 0 50 DFAA Cc1ccc2nc(CN3CCC[C@H](Cn4ccnc4)C3)cn2c1 1506400073 SZDAZZOIUWMSIL-INIZCTEOSA-N 309.417 2.751 0 50 DFAA Cc1ccc(C)c(NC(=O)c2ccccc2NS(C)(=O)=O)c1 581175 WVPRCQAJWDKXPH-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA CCS(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 341474723 SFQJXDZLWLEYIO-UHFFFAOYSA-N 321.185 2.978 0 50 DFAA CCN(C)C(=O)c1c(N(C)C)noc1-c1ccc(F)c(OC)c1 1704325041 GRNOFUAYTAZTQQ-UHFFFAOYSA-N 321.352 2.647 0 50 DFAA CCc1cc(NCc2nc(C3CC3)no2)nc(N2CCCC2)n1 1704355553 QQLDOQPZIDZUCW-UHFFFAOYSA-N 314.393 2.512 0 50 DFAA Cc1ccc(C(=O)N(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)cc1Cl 1704324939 HSLQVVLXSJHQNG-HZSPNIEDSA-N 320.820 2.635 0 50 DFAA O=C(N1CCC(Cc2cc(F)ccc2F)CC1)C1(CO)CC1 1614626470 TXBGIHYKDWPLNF-UHFFFAOYSA-N 309.356 2.518 0 50 DFAA c1cncc(-c2csc(N[C@H]3CCO[C@@]4(CCOC4)C3)n2)c1 1615044466 CRYKIPYRHFEXRU-BBRMVZONSA-N 317.414 2.955 0 50 DFAA CC(C)[C@@]1(c2nc(-c3ccc(F)cc3Cl)no2)CNC(=O)C1 1615001781 WWJLHWBWZMNPKR-HNNXBMFYSA-N 323.755 2.943 0 50 DFAA CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 5516106 LVYZBMSKSUSWBQ-UHFFFAOYSA-N 305.355 2.748 0 50 DFAA CN(Cc1ccccc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O 12432442 OQAAYONMPAOBQS-IBGZPJMESA-N 318.461 2.518 0 50 DFAA CSCCC(=O)NCc1cccnc1Oc1ccc(C)nc1 12434491 GAWXTGHVMAUNNX-UHFFFAOYSA-N 317.414 2.947 0 50 DFAA O=C(NCc1ccc(F)cc1)NC[C@@H]1CCN(C2CCCC2)C1 16623963 QRCNGYSHNGCVQI-HNNXBMFYSA-N 319.424 2.889 0 50 DFAA COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 19553147 ZTMQLBHMZVHXLD-UHFFFAOYSA-N 310.397 2.653 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3cc(Cl)c[nH]3)n[nH]c21 1857530943 BUJOSHPQLOVXHG-BDAKNGLRSA-N 322.796 2.686 0 50 DFAA C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cn2c(n1)CCC[C@H]2C 333110050 DVJSDLKHHJZHCO-NEPJUHHUSA-N 323.462 2.732 0 50 DFAA Cc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)on1 363631833 SNSMHEPYYXIWHC-UHFFFAOYSA-N 317.364 2.517 0 50 DFAA Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2F)n[nH]1 408469435 IYIKPFYCSVRVCI-AWEZNQCLSA-N 320.343 2.688 0 50 DFAA CCOc1ccccc1NC(=O)CN[C@H]1CC(C)(C)OC1(C)C 119762857 GZKZKNQNJQXTQT-HNNXBMFYSA-N 320.433 2.960 0 50 DFAA N[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 237930270 DFMAIELQLGRTKO-SECBINFHSA-N 307.806 2.637 0 50 DFAA CC(C)Oc1cnc(C(=O)N2CC[C@H](c3ccccc3)C2)cn1 1875259026 IULISVFCNKFZIX-HNNXBMFYSA-N 311.385 2.894 0 50 DFAA O=C(NC[C@@H]1CCc2ccccc2C1)N[C@@H]1C[C@H]2OCCC[C@@H]12 252585710 KKSSEPVQGSVYHP-BVPBIZIASA-N 314.429 2.658 0 50 DFAA CCc1ncc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cn1 155493005 CRBCKZAIQRIHIF-LLVKDONJSA-N 317.776 2.882 0 50 DFAA CCc1cccc(NC(=O)CN2CCC3(CCOCC3)C2)c1 266529426 FKZKLFFYCCCLIN-UHFFFAOYSA-N 302.418 2.690 0 50 DFAA CC(C)Cn1cccc(C(=O)N(C)c2ccc(Cl)cn2)c1=O 903238500 MYJAAHSIHPSDOH-UHFFFAOYSA-N 319.792 2.829 0 50 DFAA COc1ccc(C(=O)N2CCCC[C@H]2CC(=O)O)cc1Cl 909493533 DJDFQDOYEMDGKC-NSHDSACASA-N 311.765 2.818 0 50 DFAA Cc1ccn2cnnc2c1NC(=O)[C@@H]1CCOc2ccccc21 821630716 JBFCOPLUJHHBJA-CYBMUJFWSA-N 308.341 2.543 0 50 DFAA CC(C)[C@@H](NC(=O)Nc1ccnn1C(C)(C)C)c1cnn(C)c1 930925602 BFEFTGRIYAMVOL-CQSZACIVSA-N 318.425 2.890 0 50 DFAA CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O 2990483 WUXCIWVRVOPALZ-UHFFFAOYSA-N 323.477 2.774 0 50 DFAA Cc1ccc([C@@H](NC(=O)c2cnn3ccc(C)cc23)C(=O)O)cc1 2325865859 SQDBWKWAARWXPF-MRXNPFEDSA-N 323.352 2.507 0 50 DFAA C[C@H]1CN(c2ccncc2)CCN1Cc1nc2ccccc2o1 887130789 KUQJTBQIUWPRPO-AWEZNQCLSA-N 308.385 2.934 0 50 DFAA O=C(O)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 194859 RZQMFZBILLDSRX-AWEZNQCLSA-N 311.337 2.703 0 50 DFAA O=S1(=O)C=C(SCCN2CCCCC2)c2ccccc21 201650 DZBZFDIURHPMCQ-UHFFFAOYSA-N 309.456 2.991 0 50 DFAA COc1ccc(CCNC(=O)c2ccc(F)cc2)cc1OC 299669 SQOXSGZXNJNVII-UHFFFAOYSA-N 303.333 2.815 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2ccccc2OC)cc1 452240 HANLCYTZPSASSK-UHFFFAOYSA-N 316.382 2.831 0 50 DFAA O=C1CCCC[C@@H]1[C@]1(O)C(O)=Nc2ccc(Br)cc21 1303085 BNDMKODEBNRHAF-LKFCYVNXSA-N 324.174 2.998 0 50 DFAA CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2C1=S 2091502 DIMYFVJBNJDTGT-OAHLLOKOSA-N 313.426 2.822 0 50 DFAA biogenic CCCN1CCC[C@@]2(CCCN2Cc2nc(C(C)C)no2)C1=O 2356134317 IZVOLSFOWURPEZ-QGZVFWFLSA-N 320.437 2.560 0 50 DFAA Cc1cc(=NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)[nH]o1 2356149861 DAUZZESQGPGEBH-NSHDSACASA-N 321.336 2.546 0 50 DFAA Nc1cc(Cl)cnc1N1CCC[C@@H](OCc2ccccn2)C1 2356150182 PPNQCWKJUVWDKD-CQSZACIVSA-N 318.808 2.898 0 50 DFAA COc1ccc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1OC 100243533 ZNNXFAXFDPBFSV-QAQJPARQSA-N 317.429 2.877 0 50 DFAA CN(Cc1ccccc1)c1ccc2nnc(C(F)(F)F)n2n1 9691825 OJSFTVREGBKJCH-UHFFFAOYSA-N 307.279 2.780 0 50 DFAA CC(C)(C)c1cc(CNC(=O)CCN2CCCCCCC2)n[nH]1 55089026 FEFJZMNARHRQCC-UHFFFAOYSA-N 320.481 2.980 0 50 DFAA Cc1ccc2c(c1)[C@@H](CC(=O)N1C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C1)C(=O)N2 101944946 BAQWDJVYBZOYIQ-IEHFGQBSSA-N 324.424 2.925 0 50 DFAA C[C@H](CO)CN(Cc1ccccc1)C(=O)c1cnn2ccccc12 55154569 OLHUMSOZEOZBAC-HNNXBMFYSA-N 323.396 2.605 0 50 DFAA COc1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1Cl 67432728 MQTAGZVSDXOATN-UHFFFAOYSA-N 312.778 2.782 0 50 DFAA Cc1cc(F)ccc1C(=O)N1CCC(Nc2cccnn2)CC1 137619576 MODXLAGEJAGDKC-UHFFFAOYSA-N 314.364 2.641 0 50 DFAA CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCNC3)cc2)CC1 66323500 JCSHITYFWMMMHO-MRXNPFEDSA-N 316.445 2.937 0 50 DFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc2ncsc2c1 229384800 USMMKZMZFFRFAK-OCCSQVGLSA-N 301.415 2.653 0 50 DFAA CCOc1cccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)n1 328594243 HTIUSABEXAEVFL-CQSZACIVSA-N 311.341 2.936 0 50 DFAA CCNC(=O)NC[C@H]1CCN(Cc2cccc3ccccc23)C1 67447239 KMAOCIAICCIUIN-OAHLLOKOSA-N 311.429 2.981 0 50 DFAA c1cncc(CN(Cc2ccc3c(c2)CCO3)C[C@H]2CCNC2)c1 328629660 ILKZTSIDCGDESN-SFHVURJKSA-N 323.440 2.628 0 50 DFAA Cc1cccc(C[C@@H](CO)NC(=O)c2cc[nH]c2C2CCC2)c1 487431494 QDDVIBYQBWUQQI-INIZCTEOSA-N 312.413 2.924 0 50 DFAA CN(C(=O)c1ccnc2c1nnn2C)[C@@H]1CCC[C@H]1C(C)(C)C 333101748 CJRBVCMCFHLQBN-CHWSQXEVSA-N 315.421 2.650 0 50 DFAA CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@@H](C(=O)O)C1 236898722 VGRHCYZBRWEKKK-QWHCGFSZSA-N 305.374 2.512 0 50 DFAA CC(C)C[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CC[C@@]1(C)O 72154319 HMMNIEKMDZODKX-SCLBCKFNSA-N 315.417 2.822 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC=CCC1 333689405 CIVWXFXWDSWPCK-CPUCHLNUSA-N 303.406 2.596 0 50 DFAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)O)nc1 237605411 CCNDKZZGBGGDKE-WFASDCNBSA-N 310.353 2.798 0 50 DFAA COc1ccc(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 31813854 JKVPSRQNDIGNDK-LBPRGKRZSA-N 319.386 2.579 0 50 DFAA NC(=O)[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 242346874 ZJVFAJKGVRVIDG-ARFHVFGLSA-N 313.328 2.699 0 50 DFAA CN(Cc1ccc(F)c(F)c1)CN1C(=O)SC(C)(C)C1=O 132305808 FQHYMTVKZYQQNM-UHFFFAOYSA-N 314.357 2.828 0 50 DFAA C[C@H](NCc1cc2ccccc2n(C)c1=O)c1ccncc1F 340395116 PGTDFWMZKTUJSQ-LBPRGKRZSA-N 311.360 2.923 0 50 DFAA CCCN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO1 291089130 KORMOZXHNJGZNW-AWEZNQCLSA-N 315.421 2.755 0 50 DFAA Clc1ccccc1OCCNc1cc([C@@H]2CCOC2)ncn1 426491331 ASDPURKMOAIHGP-GFCCVEGCSA-N 319.792 3.125 0 50 DFAA CCOCC1CCN(C(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1 95367395 GFFYVKUKENWFDO-KRWDZBQOSA-N 322.424 2.704 0 50 DFAA Cc1nn(C)cc1CN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95371446 QUQVQNXZWAVMKI-MRXNPFEDSA-N 313.401 2.806 0 50 DFAA Cc1cnccc1CNC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 293443854 VKTJNSAKKKZJRI-CQSZACIVSA-N 324.428 2.951 0 50 DFAA COc1ccc2c(c1)CCN(C(=O)C(=O)c1ccccc1)CC2 95371067 AQGSPRYJILVAFV-UHFFFAOYSA-N 309.365 2.505 0 50 DFAA CCc1c(C)cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)n1C 97259273 MAFPQOWAMKDFIP-GOEBONIOSA-N 310.397 2.542 0 50 DFAA O=C1C[C@@H](Nc2cc(C3CC3)ncn2)CN1c1ccc(F)cc1 95356385 BDNKDNMFWKOLBC-CYBMUJFWSA-N 312.348 2.711 0 50 DFAA COc1cc(C(=O)N2CCCC[C@H]2[C@H](C)N)ccc1OC(C)C 237233235 HQPOQXNQSDRXSI-ZFWWWQNUSA-N 320.433 2.824 0 50 DFAA COCC[C@]1(C(=O)O)CCCN(C/C=C/c2ccccc2)C1 91574175 RZKVYOCKCXTBBR-QKYXPGDISA-N 303.402 2.903 0 50 DFAA CC1(C)C[C@H](O)CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 297019789 RLPYPQXUEBHNAO-CQSZACIVSA-N 318.392 2.859 0 50 DFAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)NCCC(C)(C)CO)cc1 298536335 YEHBCLHXUSLVMR-JKSUJKDBSA-N 320.433 2.649 0 50 DFAA CC(C)Cn1cncc1CNC(=O)N(C)Cc1ccsc1 534631853 SZSVMIHZCWSKJO-UHFFFAOYSA-N 306.435 2.942 0 50 DFAA COc1cc(C(F)(F)F)cc(I)n1 263623461 HSDQDOOXBBYXQN-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)/C=C/c2nc3ccccc3s2)CCN1 278336746 XAMIFLQXWFADKH-JIVBQCDMSA-N 301.415 2.566 0 50 DFAA COc1nc(C)c(C(=O)N[C@@H](CCO)c2ccc(C)cc2)s1 299788970 ZDXSIHNONGQHCN-ZDUSSCGKSA-N 320.414 2.622 0 50 DFAA O=C(NCc1noc([C@H]2CCCO2)n1)c1ccc(Cl)s1 299790988 BXIBXYJXTQTGHK-SSDOTTSWSA-N 313.766 2.566 0 50 DFAA NCCc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1 584888593 QIIBJLQCXDFKSB-UHFFFAOYSA-N 323.440 2.678 0 50 DFAA O=C1CCC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)N1 270331110 XRIFSNJSSHXRGL-CQSZACIVSA-N 320.820 2.547 0 50 DFAA Cc1nc(N2CCC[C@@H](CCC(=O)O)C2)cc(C(F)(F)F)n1 871867113 CMMWUGUZGYDNFR-JTQLQIEISA-N 317.311 2.885 0 50 DFAA N=c1cc(N)nc(S[C@H]2CCCC(=O)c3ccccc32)[nH]1 1875273636 WQSPDNVKRLMCAE-LBPRGKRZSA-N 300.387 2.671 0 50 DFAA Cc1cc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(C)cn1 1875284465 VIVDLCURTGJDBR-IAGOWNOFSA-N 321.424 2.907 0 50 DFAA Cc1ncccc1C(=O)N1C[C@@H](C(=O)O)C[C@@H](c2ccccc2)C1 1875270910 HJOVOUOOESUGHZ-CVEARBPZSA-N 324.380 2.721 0 50 DFAA C=CC(=O)N1CCC(C(=O)N(C)Cc2ccc(Cl)cc2)CC1 1875365730 TWUBWSJMFDMSMQ-UHFFFAOYSA-N 320.820 2.723 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 1875365842 WVJJZTAQMDQZJP-LBPRGKRZSA-N 320.820 2.942 0 50 DFAA CCOCc1cn(CCCNC(=O)C2(C)CCCCCC2)nn1 1875324047 ZNMBUVYBOXHPQU-UHFFFAOYSA-N 322.453 2.681 0 50 DFAA O=C(c1cc[nH]c1)N1CCCN(C(=O)C2CCCCCC2)CC1 940473708 FKJWITAAEXRFDG-UHFFFAOYSA-N 317.433 2.660 0 50 DFAA CC[C@H]1C=CCN1S(=O)(=O)c1cc(Cl)ccc1OC 952984950 DALOTRPOOVTDNL-NSHDSACASA-N 301.795 2.688 0 50 DFAA CO[C@]1(c2nnc(CCOc3ccc(C)cc3C)o2)CCOC1 886082103 AJRYUOGAZGUZTP-QGZVFWFLSA-N 318.373 2.570 0 50 DFAA O=C(O[C@@H]1C=CS(=O)(=O)C1)C1CCC(c2ccccc2)CC1 888099678 UVETVBVXTXFWKW-UYSNPLJNSA-N 320.410 2.814 0 50 DFAA CC(C)CCOCCNC(=O)NC[C@](C)(O)CCC(C)C 1775988630 WHXXRVBRMGDVPY-MRXNPFEDSA-N 302.459 2.536 0 50 DFAA O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1C[C@@H]2C[C@]2(C(F)F)C1 1776008249 ZRXBRMOXKVIYIT-QFYYESIMSA-N 321.302 2.943 0 50 DFAA Cc1nnnn1-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 1354825030 DVHSSOAIAKXAOY-SJORKVTESA-N 319.368 2.713 0 50 DFAA NC(=O)[C@@H](NCc1ccc2c(n1)CCC2)c1ccc(Cl)cc1 1461821987 ZGOJYUKARYQAHR-INIZCTEOSA-N 315.804 2.540 0 50 DFAA OC[C@H](CNc1ncccn1)Cc1cccc(Br)c1 277259551 WOWQNFDRLPRRDU-LBPRGKRZSA-N 322.206 2.502 0 50 DFAA COC(=O)C1(CNCc2c(C)oc3ccccc23)CCOCC1 170076333 JFBGGBWWMAKZMQ-UHFFFAOYSA-N 317.385 2.801 0 50 DFAA Cc1c(NC(=O)[C@@H]2CCCN2)cnn1-c1cccc(Cl)c1 170070647 LBWJFDDABMNXBY-ZDUSSCGKSA-N 304.781 2.525 0 50 DFAA CC(C)c1nn(C)cc1NC(=O)c1ncccc1Br 280255782 OYYLKDIARLNPON-UHFFFAOYSA-N 323.194 2.953 0 50 DFAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C 408464742 HEQJPXJIHFUVGK-MPTQWLOMSA-N 318.465 2.951 0 50 DFAA O=C(NS(=O)(=O)CCC1CCCCC1)[C@@H]1C[C@H]1C1CCC1 408499846 NIVGPEVMVRZHFH-LSDHHAIUSA-N 313.463 2.839 0 50 DFAA C[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3Cl)n2N)CCO1 408524661 XDVJLAMDAHHBNU-ZJUUUORDSA-N 324.837 2.972 0 50 DFAA Cc1cc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c(C)s1 111239438 APBJVZSRLHQUNV-LBPRGKRZSA-N 321.320 2.844 0 50 DFAA CS(=O)(=O)CC1(CC(=O)N2CCC=Cc3ccccc32)CC1 190120327 QULFKVHZYWXMGX-UHFFFAOYSA-N 319.426 2.651 0 50 DFAA Cc1nc(-c2cccc(NC(=O)[C@H](C)n3cncn3)c2)cs1 193063342 LURWBCQIIFTQHI-JTQLQIEISA-N 313.386 2.910 0 50 DFAA Cc1nc2cc(CNc3cccc(C(=O)N(C)C)n3)ccc2n1C 1529168020 VNOGULYGOOYRMD-UHFFFAOYSA-N 323.400 2.591 0 50 DFAA C[C@@]1(c2nc(-c3ccc(Br)cn3)no2)CCOC1 331551451 JCGPKSHMLJZLHG-GFCCVEGCSA-N 310.151 2.572 0 50 DFAA COC(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)O)c1 1616035341 YAPYUQQLZLUEKL-BXUZGUMPSA-N 321.377 2.632 0 50 DFAA Cc1ccc(NS(=O)(=O)c2ccc(NC=O)cc2)cc1C 474623 IFTPGGNTLJIXDT-UHFFFAOYSA-N 304.371 2.673 0 50 DFAA COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1OC 496528 PRBQXUJEHOQDNY-UHFFFAOYSA-N 314.341 2.915 0 50 DFAA O=C(CCC(F)(F)F)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775977678 LRUPQMMFUOHALT-ZDUSSCGKSA-N 301.312 2.559 0 50 DFAA COc1nc(NC[C@@H](c2ccc(C)cc2)N(C)C)ncc1F 1772707760 YHZNXYHBZUCFIC-AWEZNQCLSA-N 304.369 2.648 0 50 DFAA CCC(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 12594007 RJPRKUMSRUCOQL-LJQANCHMSA-N 314.429 2.746 0 50 DFAA O=C(COc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 13331607 LGCGJPIKRXVUMA-UHFFFAOYSA-N 314.360 2.553 0 50 DFAA Cc1ccc(COC[C@H](O)CN2CCc3ccccc3C2)cc1 16577206 COTZXVVGAZVFMD-HXUWFJFHSA-N 311.425 2.931 0 50 DFAA COc1ccccc1CNS(=O)(=O)Cc1cccc(C)c1 16579381 ONPQBHBFCQFPPY-UHFFFAOYSA-N 305.399 2.623 0 50 DFAA CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18155504 TVQQREPZLLQQMU-GASCZTMLSA-N 315.369 2.931 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1Cl 1320282 BAVIXNLNKWAHHG-INIZCTEOSA-N 301.729 2.753 0 50 DFAA CCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C 4411682 DYUUOHJUKRHFNR-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)cc1 4814351 NAIAKZRDECYDQV-AWEZNQCLSA-N 324.446 2.988 0 50 DFAA Cc1oc(C(=O)N2CC[C@H](CN)C2)cc1COc1ccccc1 408519263 MCHRMAIEJSFSLD-CQSZACIVSA-N 314.385 2.588 0 50 DFAA C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)N2CCCSCC2)C1 221815702 ORLHZBNLVHKWAD-ZNMIVQPWSA-N 313.511 2.501 0 50 DFAA C[C@H](CCc1cccc(F)c1)NC(=O)N[C@H]1CC[C@@H](CO)CC1 252477756 VCCSTXLKDRUJPH-UNEWFSDZSA-N 322.424 2.997 0 50 DFAA C[C@H]1C[C@@H](CO)CCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12 354249924 BRIBHUJHCKTSGD-RYUDHWBXSA-N 320.820 2.983 0 50 DFAA CSC[C@@H](C)C(=O)NCCc1cnn(Cc2ccccc2)c1 585107086 OILDJCZTVSEAHX-CQSZACIVSA-N 317.458 2.589 0 50 DFAA C[C@H](N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)[C@H]1CCOC1 397834669 OGLUZXWIDJKFHU-FQUUOJAGSA-N 312.454 2.693 0 50 DFAA Cc1nn(Cc2ncc(C(C)C)o2)c(C)c1[C@@H]1COCCN1C 852963438 UAZMGZXGFWFMMK-AWEZNQCLSA-N 318.421 2.663 0 50 DFAA c1ccc2c(c1)CCCN(CCCc1cnc3ncnn3c1)C2 2100539269 AMQUIAJWNTWHJW-UHFFFAOYSA-N 307.401 2.505 0 50 DFAA O=c1cc(-c2ccccc2)ncn1C[C@H](O)Cc1ccccc1 2325821271 ATZZPVITTKGFBJ-QGZVFWFLSA-N 306.365 2.514 0 50 DFAA COCC[C@H]1CN(C(=O)NC[C@H]2CCCC(C)(C)C2)CCO1 2325843224 ZLSKETREWKCIBQ-GJZGRUSLSA-N 312.454 2.650 0 50 DFAA C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccccc1 263991 GTULUAUMYSNKDP-OAHLLOKOSA-N 308.381 2.673 0 50 DFAA CCOC(=O)c1ccc(NCn2c(=O)oc3ccccc32)cc1 286074 PMSVHKFEYSVSAS-UHFFFAOYSA-N 312.325 2.841 0 50 DFAA CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 341930 DZBYXBSOLISEOO-UHFFFAOYSA-N 317.370 2.755 0 50 DFAA CC(C)(C)O[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 399122 YCTNIMOEFJORHQ-ZIAGYGMSSA-N 321.373 2.666 0 50 DFAA COc1ccc(Nc2nnc(C)c3ccccc23)cc1C(N)=O 1303709 COZRULPVZPLNNP-UHFFFAOYSA-N 308.341 2.789 0 50 DFAA COc1ccc(-c2ncc3ncn(C)c3n2)c2ccc(C)nc12 2356168400 BLEUQUJDUWYJIH-UHFFFAOYSA-N 305.341 2.896 0 50 DFAA CC[C@H](CO)N(Cc1ccco1)Cc1c(C)nn(C)c1Cl 55196611 VKFVXQATGAYWFX-GFCCVEGCSA-N 311.813 2.748 0 50 DFAA Cc1csc(C(C)(C)NC(=O)[C@H]2COc3ccccc3O2)n1 116144330 HZKWBLFWFPLZPS-CYBMUJFWSA-N 318.398 2.643 0 50 DFAA CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 103485487 IDBCIMCVSMAAQB-DLBZAZTESA-N 319.426 2.764 0 50 DFAA CN(CCc1ccccc1)[C@H]1CCCN(Cc2cnn(C)c2)C1 20911811 RFZDZEWKNSDXQD-IBGZPJMESA-N 312.461 2.559 0 50 DFAA Cc1ccnc(C[C@H](C)N(C)C(=O)CSc2ccncc2)c1 55132761 HKVITQOZXLMRAW-AWEZNQCLSA-N 315.442 2.967 0 50 DFAA C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccnc1 421636145 XHJORZDMIIAUIT-TZMCWYRMSA-N 304.390 2.664 0 50 DFAA O=C(c1cc(-c2cccc(Cl)c2)on1)N1C[C@@H](F)C[C@H]1CO 332163484 RAJSVBAAXQTQCV-RYUDHWBXSA-N 324.739 2.540 0 50 DFAA Cc1cc(NC(=O)N(C)[C@@H](C)C[S@](C)=O)c2ncccc2c1 120544002 ZXTVEBZQYXJQMP-AMXDTQDGSA-N 319.430 2.774 0 50 DFAA CN(CCc1cn[nH]c1)Cc1nc(-c2ccc(Cl)cc2)no1 20907414 SXDAENKCPXVQEH-UHFFFAOYSA-N 317.780 2.788 0 50 DFAA O=C(N[C@H]1CCC[C@H]1CCO)N1CCc2cc(Cl)ccc2C1 252504864 VNOPXRDYECZDJT-LRDDRELGSA-N 322.836 2.959 0 50 DFAA C[C@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCCCC2 67851306 MPZRSJXMLQDYII-CYBMUJFWSA-N 318.465 2.558 0 50 DFAA CS(=O)(=O)N(Cc1cccc(Cl)c1)Cc1ccccn1 122308322 WBQBKENWHJRSIU-UHFFFAOYSA-N 310.806 2.697 0 50 DFAA CCn1cnnc1[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 328625332 CZVYCXUMPLXKLW-CWDCEQMOSA-N 316.380 2.524 0 50 DFAA CC(C)Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)no1 65387246 CIMJIOIUVKQHPX-HNNXBMFYSA-N 314.385 2.949 0 50 DFAA C[C@H](C(=O)N1CCC2(CCCO2)CC1)n1cnc2ccccc21 72123838 RTCHCKYOIAYLAY-CQSZACIVSA-N 313.401 2.769 0 50 DFAA COc1ccc(CC[C@H]2CCCCN2CCC(=O)O)cc1OC 237257786 DKFHYNBFZFMYCD-OAHLLOKOSA-N 321.417 2.966 0 50 DFAA Cc1cccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)c1 72243309 XAEOTWOGGDHVSO-UHFFFAOYSA-N 324.424 2.724 0 50 DFAA COc1ccnc(O)c1C(=O)N1CCC[C@@]2(CC=CCC2)C1 377304200 HXOJPLAIVGVOBI-KRWDZBQOSA-N 302.374 2.758 0 50 DFAA O=C(NC[C@@H](CO)CC1CCCCC1)c1ccc2c(c1)OCO2 241644545 PRQASMHEUVGYTQ-AWEZNQCLSA-N 319.401 2.724 0 50 DFAA CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC[C@H]1Cc2ccccc21 241707070 QMJVGMRNROHARR-ZMSDIMECSA-N 302.418 2.519 0 50 DFAA CC[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1F 246046692 XQOIPYRVKAEFCZ-RCBQFDQVSA-N 308.397 2.502 0 50 DFAA CC(=O)c1cc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cs1 77556198 AWNIMJQOJGCNPR-CYBMUJFWSA-N 317.414 2.623 0 50 DFAA Cc1nc(NC(=O)C2CCC2)ccc1I 176098389 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Cc1nccc(-c2ccccc2)c1C(=O)N[C@@H](C)c1nncn1C 670441750 RAGVUQKKIPQDGU-ZDUSSCGKSA-N 321.384 2.677 0 50 DFAA CCC(=O)N[C@@H](C(=O)N1CC(c2ccccc2)C1)c1ccccc1 1875269571 ANCNUWHMYVOSST-LJQANCHMSA-N 322.408 2.880 0 50 DFAA CC[C@@H]1CCCC[C@@H]1OCc1nc(C2CN(C(C)=O)C2)no1 1875280300 QVUYSTDRFIYJJM-OCCSQVGLSA-N 307.394 2.501 0 50 DFAA CN(C)C(=O)c1ccnc(NC(=O)[C@H]2CCCc3ccccc32)c1 269843454 MYLOQFVDQUYXEG-INIZCTEOSA-N 323.396 2.842 0 50 DFAA CO[C@H]1C[C@@H]2C[C@@H](C(=O)Nc3cc(C(C)(F)F)no3)C[C@@H]21 1875307532 PRPJTBJEGFELRM-JXUBOQSCSA-N 300.305 2.786 0 50 DFAA CSCc1cn(C2CN(C(=O)C3C[C@H](C)C[C@@H](C)C3)C2)nn1 1875323775 STDXFJYJQXEDIG-VXGBXAGGSA-N 322.478 2.597 0 50 DFAA COCC[C@@H](NC(=O)Cc1ccc(OC)cc1)c1cccnc1 952994056 OVATZVMMTYXKFY-QGZVFWFLSA-N 314.385 2.527 0 50 DFAA Oc1cc(Cl)cc(CN2CCC[C@@H](Cn3cncn3)C2)c1 891419312 VNZZRWKSHHGHRS-GFCCVEGCSA-N 306.797 2.549 0 50 DFAA Cc1cccc(NC(=O)Nc2nnc(C(F)(F)F)s2)n1 1775996835 KDCHIMBLFPABKQ-UHFFFAOYSA-N 303.269 2.904 0 50 DFAA Cc1cccc(CN2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)n1 1565525515 OCNMQODZZGVTGY-QUCCMNQESA-N 322.456 2.881 0 50 DFAA CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)NCc1ccoc1 271821364 NIHVINARJNUKDX-IAQYHMDHSA-N 306.337 2.994 0 50 DFAA Cc1cscc1NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C 275328478 FRDCBHJFHJKJOW-FZMZJTMJSA-N 305.403 2.815 0 50 DFAA O=C1N[C@H]([C@H]2CCCOC2)C(=O)N1c1cccc2ccccc12 170091191 ILIOABOYCIPMOQ-XJKSGUPXSA-N 310.353 2.691 0 50 DFAA C[C@H]1CCC[C@H](OCC(=O)Nc2cn(C)nc2C(F)(F)F)C1 170052634 KGDOHYJNBDWYSP-UWVGGRQHSA-N 319.327 2.973 0 50 DFAA COc1ccccc1Cc1nnc(SCCC[C@@H](C)O)o1 170613015 KRWDRNFIVZWSRI-LLVKDONJSA-N 308.403 2.922 0 50 DFAA C[C@H]1CN(C(=O)c2ccccc2-c2cn[nH]c2)C[C@H](C2CC2)O1 635874239 DJDJKXYTPQTANU-YVEFUNNKSA-N 311.385 2.716 0 50 DFAA CCOc1cccc(CNC(=O)C(C)(C)n2cnc(C)c2)c1 585122367 YMGJAQXBFNTWAQ-UHFFFAOYSA-N 301.390 2.642 0 50 DFAA CC1(C)CCCN1S(=O)(=O)CCc1noc2ccccc12 585115479 BMAVCTIPKJGJBB-UHFFFAOYSA-N 308.403 2.575 0 50 DFAA CSC1(C(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)CCC1 408515866 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CCNC(=O)c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2 169760305 XXCISUHXXVFZGM-CQSZACIVSA-N 305.765 2.558 0 50 DFAA Cc1nccc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)n1 1857730306 QCQJTXUBDJWGQQ-CQSZACIVSA-N 314.389 2.549 0 50 DFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(O)n1 328779398 UCMACQMOVDVMBS-AWEZNQCLSA-N 311.385 2.528 0 50 DFAA C[C@@]1(CO)CCCN1C(=O)NCc1ccc(C(F)(F)F)cc1 122837822 OZARCHYMMCXIAL-AWEZNQCLSA-N 316.323 2.762 0 50 DFAA COc1cccc(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)n1 333396717 DSTRGVQGIXRUSI-LSDHHAIUSA-N 303.406 2.858 0 50 DFAA CCCS(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 241144845 JTOXEAYQLZGROQ-UHFFFAOYSA-N 317.414 2.754 0 50 DFAA CCc1noc([C@H](C)N2CC[C@H](OCc3c(C)noc3C)C2)n1 368869415 OFWBOPDJRBPSQY-AAEUAGOBSA-N 320.393 2.589 0 50 DFAA COc1ccccc1OCC(=O)N1CCOc2cccc(F)c21 161540842 CIXWNTDOJWUDMV-UHFFFAOYSA-N 317.316 2.639 0 50 DFAA CN(c1ccccc1NC(=O)c1nccnc1N)C1CCCC1 162442044 JGUSOQMUBGCRIG-UHFFFAOYSA-N 311.389 2.690 0 50 DFAA COC(=O)[C@@H]1C[C@H](F)CN1Cc1cnc2ccc(C)cc2c1 591033918 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C[C@H]1CC(F)(F)CN1Cc1ccc(-c2nn[nH]n2)cc1Cl 2325869165 AYIFLBUTSUTUAU-QMMMGPOBSA-N 313.739 2.750 0 50 DFAA CCO[C@H]1C[C@H](n2nnnc2N2CCC[C@H]2c2ccsc2)C1 952880770 XHIXUNPUGXAWHP-IHRRRGAJSA-N 319.434 2.816 0 50 DFAA CCOC(=O)C1=NN[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 174498 QMURMMKDJQPFOC-CVEARBPZSA-N 322.364 2.544 0 50 DFAA O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2171718 CZWWYFLWKMDSIX-UHFFFAOYSA-N 323.348 2.920 0 50 DFAA COc1ccc([C@@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1C 4031347 VLUXWGUBKSTGFP-HFTRVMKXSA-N 305.418 2.968 0 50 DFAA CCOc1ccc(Cl)cc1CNCCCN1CCOCC1 4488523 LGEUAGKKXAPUBD-UHFFFAOYSA-N 312.841 2.551 0 50 DFAA CCC(=O)c1ccc(OC[C@H](O)CN2CCCCC2)c(OC)c1 4602543 DNZHCKUEQKBCGZ-OAHLLOKOSA-N 321.417 2.514 0 50 DFAA CCCc1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)no1 246829740 USUXGMCREAYTHG-RISCZKNCSA-N 323.343 2.608 0 50 DFAA COc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1 7793095 GZNAIMDRBUUODH-UHFFFAOYSA-N 310.397 2.966 0 50 DFAA O=C(CCN1CCCCO1)N1CCCC[C@@H]1c1cccnc1 55415042 BTAXBXXTRGHXEH-MRXNPFEDSA-N 303.406 2.553 0 50 DFAA C[C@@H](NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)O 170625467 KCPQNNKARGFQSG-CYBMUJFWSA-N 322.364 2.893 0 50 DFAA COc1ccc(-c2ccccc2O[C@@H](C)C(N)=O)c(OC)c1 67843131 IDFPEHXJQJPVRL-NSHDSACASA-N 301.342 2.623 0 50 DFAA COc1ccc2c(c1)C[C@@H](NCC1(Cn3cccn3)CC1)CC2 67818895 VKKBHSHVTHSPEJ-KRWDZBQOSA-N 311.429 2.819 0 50 DFAA CSc1ncccc1C(=O)N(C)[C@@H](C)Cc1ccccn1 67676828 MXNKOVLISQYAFZ-LBPRGKRZSA-N 301.415 2.902 0 50 DFAA Oc1ccc(Cc2nnc(O)n2Cc2ccc(Cl)cc2)cc1 67458826 VWRIWCNZSXHDDT-UHFFFAOYSA-N 315.760 2.982 0 50 DFAA CCc1ccc(CNC(=O)NCc2cccnc2N(C)C)cc1 252550594 SURGPDKFQVPBIL-UHFFFAOYSA-N 312.417 2.709 0 50 DFAA O[C@@H]1CCCN(c2ncccc2CNc2ncccc2Cl)C1 67514739 FPDHNQVNFKMFPD-CYBMUJFWSA-N 318.808 2.703 0 50 DFAA CC[C@H](OC)c1nnc(SCC(=O)O)n1-c1ccccc1 65383894 QFLCBMOWKCIYHR-NSHDSACASA-N 307.375 2.542 0 50 DFAA Cc1ccc(NS(=O)(=O)CCc2cccs2)c2[nH]ncc12 357128726 GGALPGQVWQLGRG-UHFFFAOYSA-N 321.427 2.917 0 50 DFAA C[C@@H]1CC(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@@H](C)O1 328655192 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CC(C)(C)CCC(=O)N[C@H](c1ccccc1)c1nnc(N)s1 426712802 SVULYMYKDVCIMX-CYBMUJFWSA-N 318.446 3.152 0 50 DFAA CCN(CCn1cccn1)C(=O)NCc1ccc(C)c(F)c1 426497218 KGHOGPLIRGOARU-UHFFFAOYSA-N 304.369 2.562 0 50 DFAA COc1ccc(CCCC(=O)NC[C@@H]2CCCCCN2)cc1 220296460 XCHZBKKMWRSWTM-INIZCTEOSA-N 304.434 2.666 0 50 DFAA Cc1nc(N(C)C)nc(-c2ccc(C(=O)N3CCC3)cc2)c1C 426599537 JDFYRMJRHKFUOH-UHFFFAOYSA-N 310.401 2.672 0 50 DFAA CCCN(Cc1nccn1C)C(=O)c1[nH]cnc1-c1ccccc1 426517661 ULWJHQMLPYSRAF-UHFFFAOYSA-N 323.400 2.863 0 50 DFAA CC(C)c1nccc(C(=O)N[C@H](C)c2nnc(C(C)C)o2)n1 426628709 DNLZMXMPHGLNLL-SNVBAGLBSA-N 303.366 2.597 0 50 DFAA CCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1 95372597 CXWXKFGEEZBOFG-UHFFFAOYSA-N 312.417 2.763 0 50 DFAA CC[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 96026493 VNHYWGUZOTUIPY-IBGZPJMESA-N 308.381 2.731 0 50 DFAA CC[C@@H](C(=O)NCc1cc2c(cc1OC)CCC2)n1cccn1 91725354 OKFJOZNTHLSKPX-INIZCTEOSA-N 313.401 2.648 0 50 DFAA O=c1cc([C@@H]2CCCNC2)nc(CSc2ccccc2)[nH]1 23153431 QDKFJSMIMVKGLG-GFCCVEGCSA-N 301.415 2.529 0 50 DFAA COc1ccccc1C[C@H](C)N(C)Cc1nncn1C(C)C 244735090 NSVWLKATJSDYFV-AWEZNQCLSA-N 302.422 2.931 0 50 DFAA Cc1csc(CCCNC(=O)C[C@@H](C)n2ccnc2C)n1 244574961 CUJUSSTZKOBLOL-GFCCVEGCSA-N 306.435 2.657 0 50 DFAA O=C(CCN1CCC[C@H]1c1nccs1)Nc1nccs1 244874509 XCPBNEKSJLNKQO-JTQLQIEISA-N 308.432 2.765 0 50 DFAA O=C(O)C[C@@H]1CCCN(C(=O)Cc2c(F)cccc2F)CC1 299746411 XELVJLFNJZBHBT-LLVKDONJSA-N 311.328 2.611 0 50 DFAA CN(C)c1nc(NC2CCN(C3CCCC3)CC2)ncc1F 534635301 OHMGLLJUJXACLF-UHFFFAOYSA-N 307.417 2.501 0 50 DFAA O=C(Cc1cccnc1)N[C@H]1CCCN(C2CCCCC2)C1 299797021 PSZLNESIGQOMTA-INIZCTEOSA-N 301.434 2.537 0 50 DFAA CCO[C@@]1(c2nnc(-c3cccc(OC)c3F)o2)CCOC1 886082303 VCPUSTPJNAVESF-HNNXBMFYSA-N 308.309 2.536 0 50 DFAA O=C(c1ccccc1)N(Cc1ccccn1)[C@H]1CCCNCC1 186572324 BHSILCCXYMOLIT-SFHVURJKSA-N 309.413 2.866 0 50 DFAA Cc1nc(C(=O)NCC2(c3ccccc3C)CCOCC2)co1 170600230 OWBFYPWMHAXCEA-UHFFFAOYSA-N 314.385 2.770 0 50 DFAA Cn1cc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)cn1 171350490 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O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1ccncc1 11951991 HODCKUVNOMJSIX-IBGZPJMESA-N 323.440 2.909 0 50 DFAA COCCN1CCC[C@@]2(CCN(Cc3sccc3C)C2)C1 14970723 VPLQMHYGKJGSSX-QGZVFWFLSA-N 308.491 2.991 0 50 DFAA CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 16606018 YKYITQWWUNHOFC-CYBMUJFWSA-N 308.397 2.584 0 50 DFAA Cn1c(=O)c(-c2nccn2C[C@@H]2CCCO2)cc2ccccc21 1857690864 PMSRRTZOCLLVCB-AWEZNQCLSA-N 309.369 2.581 0 50 DFAA CCCNC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857714377 RQBLULLRJPCYJY-UHFFFAOYSA-N 312.417 2.607 0 50 DFAA Cc1ccncc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C 408461976 XLBDPBKSTPMPPE-CYBMUJFWSA-N 302.399 2.526 0 50 DFAA CC[C@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@@H](CC)O1 421982430 QDEPZCNDNOGTAE-OKILXGFUSA-N 315.417 2.532 0 50 DFAA CC(=O)N1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 126480443 MHPOWDNPGKXNQD-MRXNPFEDSA-N 308.466 2.968 0 50 DFAA CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCSC1 127331493 YWCPJQPKQXWUBY-ZDUSSCGKSA-N 306.431 2.542 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@@H]1N 237149183 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O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 360236 BYKANEVMPOZIQF-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA CC(C)(C)O[C@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1 399121 YCTNIMOEFJORHQ-UONOGXRCSA-N 321.373 2.666 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c(C)c1 610918 BFRSSWABGRHMRK-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA COc1ccnc(CN2CCC3(C=C(C)CCO3)CC2)c1OC 2356140325 DVXLETHHLCJZAF-UHFFFAOYSA-N 318.417 2.800 0 50 DFAA COc1ccc(-c2ccc(CN(C)C)cc2CO)c(OC)c1 2356154351 RSADYWKZCLDABZ-UHFFFAOYSA-N 301.386 2.925 0 50 DFAA O=C(C(=O)N1CCCc2ccccc21)N1CCCc2ccccc21 4121200 QHCXWKOOQGBZQU-UHFFFAOYSA-N 320.392 2.945 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)CO[C@H]2CCCC[C@H]2C)n1 248000726 CWXRTDOLHWOITP-INWMFGNUSA-N 307.438 2.600 0 50 DFAA Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nncs3)c12 22705122 CDLNKEXWSYURMN-UHFFFAOYSA-N 316.390 2.504 0 50 DFAA CC1(C)CCC[C@@](O)(CNC(=O)[C@H]2CCCc3cccnc32)C1 252507538 WNZRSXYUFNHQGQ-KXBFYZLASA-N 316.445 2.949 0 50 DFAA CCNc1ncc(C(=O)N2CCCC[C@@H]2c2cccnc2)cn1 65493505 QOFUKJMDPBQLDH-OAHLLOKOSA-N 311.389 2.671 0 50 DFAA Cc1ccc([C@@H](C(=O)NC2Cc3ccccc3C2)N(C)C)cc1 65455817 CWPVQFVEBQAOMR-IBGZPJMESA-N 308.425 2.881 0 50 DFAA COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1 54830 MSEFNNYTRUIQHL-UHFFFAOYSA-N 314.341 2.671 0 50 DFAA O=C(O)[C@H]1C[C@H](OCc2ccccc2)CN1Cc1ccccc1 35287445 ZQOGQRMHCXHWHK-ZWKOTPCHSA-N 311.381 2.931 0 50 DFAA C[C@H](N[C@H](C)[C@H](C)n1cccn1)c1nc(O)c2ccccc2n1 253532464 JUZUYYQREVQERG-AGIUHOORSA-N 311.389 2.832 0 50 DFAA CCC(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1 35655468 UXLMFWIBXYYNRW-UHFFFAOYSA-N 317.414 2.883 0 50 DFAA Cc1nc([C@H]2CCCN2C(=O)c2c(C)nn(C)c2C)cs1 283826737 UHICSAYDMKCTTE-CYBMUJFWSA-N 304.419 2.779 0 50 DFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1C[C@H](C2CC2)O[C@H](C)C1 329831298 KNECRWMDRWJXMU-TYNCELHUSA-N 318.421 2.885 0 50 DFAA CCc1nc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)no1 72120889 QWENLFZIFFZSMH-HNNXBMFYSA-N 313.401 2.656 0 50 DFAA COc1cc(C(=O)N[C@@H]2COCC2(C)C)cc(OC)c1C(C)C 456554739 VSYLMXMRVIEKOP-OAHLLOKOSA-N 321.417 2.982 0 50 DFAA COc1cc(C)ccc1OCCC(=O)N1CCCC[C@H]1[C@@H](C)N 237107896 JYBFVCSRFGZRIO-CABCVRRESA-N 320.433 2.501 0 50 DFAA c1cncc([C@H]2OCC[C@@H]2NCc2ccc(-c3ccn[nH]3)o2)c1 285163530 UPOSKGPBVZPDIV-DOTOQJQBSA-N 310.357 2.685 0 50 DFAA CS(=O)(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 13330476 ZYHUUPIGETUVIW-UHFFFAOYSA-N 320.201 2.610 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cn1 237976478 UGIHFUHEKBUJSA-OAHLLOKOSA-N 302.374 2.965 0 50 DFAA c1cnc(Oc2ccc(CN[C@H]3CCc4nc[nH]c4C3)cc2)cn1 377782218 NHAQBLJBGUIKPV-AWEZNQCLSA-N 321.384 2.639 0 50 DFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(F)cc2Cl)C1 379171929 DNDOTEYOQCTUCM-KWQFWETISA-N 324.705 2.973 0 50 DFAA COC(=O)CCCC(=O)N1CCC(Oc2ccccc2C)CC1 77376254 UWZSKNXTXGPHIG-UHFFFAOYSA-N 319.401 2.708 0 50 DFAA COCCC[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 77407948 VSDCZCSTJQOHMT-CYBMUJFWSA-N 309.381 2.739 0 50 DFAA CC(C)n1nc(O)c2c1NC(=O)C[C@@H]2c1cccc(F)c1F 72117456 SFKNHFZNRYNVRY-SECBINFHSA-N 307.300 2.922 0 50 DFAA CC1=C(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)SC2=NCCN21 71748902 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GEFHBQSGSBANOK-LLVKDONJSA-N 301.217 2.876 0 50 DFAA COCc1cc(CN2CCC[C@]2(C)C(=O)OC(C)(C)C)no1 864086960 MIORIWYZMAQGQG-MRXNPFEDSA-N 310.394 2.517 0 50 DFAA O=C(O)Cc1c(Br)ccc(F)c1Br 263625233 XYCVFVHUEBEPHO-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA CN(C)c1noc(CN(Cc2ccc(F)cc2F)C2CC2)n1 185248918 FMJVIEDYWCSFCN-UHFFFAOYSA-N 308.332 2.578 0 50 DFAA CC[C@@H](OC)c1nc(COc2ccc(OC)cc2)nn1CC 824684088 DQPKYCTUCXGOSL-CQSZACIVSA-N 305.378 2.983 0 50 DFAA C[C@](O)(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC1 270012166 FTVPTCDWYGFIIA-RDJZCZTQSA-N 323.820 2.791 0 50 DFAA CCc1nn(C)c2c(=O)n([C@@H](C)Cc3ccsc3)cnc12 584894960 YBTFDNKAJQYIIC-JTQLQIEISA-N 302.403 2.558 0 50 DFAA COC(=O)/C=C/CCNC(=O)C1(Cc2ccccc2)CCC1 1875314309 QZPYDGHJPTXUPH-BJMVGYQFSA-N 301.386 2.635 0 50 DFAA COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C)cnc2O)c1 1875302869 KQOWIDYDUUUIFL-QPJJXVBHSA-N 314.341 2.765 0 50 DFAA Cc1ncc(CN(C)C(=O)c2ccc3n[nH]c(C)c3c2)s1 1875267625 UVQULWNYQCPSHI-UHFFFAOYSA-N 300.387 2.908 0 50 DFAA Cc1c(C(=O)O)cccc1C(=O)NC[C@@H]1CCCc2cccnc21 1875286468 UXRDNLVZQJKFID-AWEZNQCLSA-N 324.380 2.938 0 50 DFAA C[C@@H]1C[C@@H](CC(=O)OCc2cc(O)nc(O)n2)CC(C)(C)C1 1875253778 LNHPHLVMGOKMDA-MNOVXSKESA-N 308.378 2.784 0 50 DFAA COc1cccc(CN2[C@H](C(=O)O)CC[C@@H]2C(F)(F)F)c1 1875283406 RIQAOVUYVQDCOI-NWDGAFQWSA-N 303.280 2.675 0 50 DFAA COc1nccc(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)n1 885228892 BOMYXJNOZOLCMH-CQSZACIVSA-N 311.385 2.894 0 50 DFAA Cc1ncc(CN[C@H]2CCN(C)[C@@H](C)C2)c2c1OC(C)(C)OC2 1775993564 FYTUHUXKYPFWOE-WFASDCNBSA-N 319.449 2.607 0 50 DFAA Cc1nc(-c2cnn(C)c2)oc1C(=O)NC(C)(C)C(C)(C)C 1775986340 UWTFVDDFPUMDEA-UHFFFAOYSA-N 304.394 2.938 0 50 DFAA Cc1c(C(=O)N2CCCSCC2)oc(=O)c2ccccc12 585091050 QBNHHJKBJIHPOG-UHFFFAOYSA-N 303.383 2.681 0 50 DFAA COC1(c2noc([C@](C)(OC)c3ccccc3)n2)CCOCC1 585133898 ZELZMYUEPUIFJX-MRXNPFEDSA-N 318.373 2.632 0 50 DFAA O=C(NCc1nc(-c2ccccc2F)cs1)[C@H]1CCOC1 278939177 LXAZUPXUMLUWRA-JTQLQIEISA-N 306.362 2.602 0 50 DFAA O=C(Nc1ccc2nncn2c1)c1cc(O)ccc1C(F)(F)F 170619078 XWFKVMNGHWDBDJ-UHFFFAOYSA-N 322.246 2.706 0 50 DFAA CCc1cnc(CNC(=O)C(C)(C)c2c(C)noc2C)s1 281578374 ZLMQNZAJYLCMGO-UHFFFAOYSA-N 307.419 2.904 0 50 DFAA C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(OC2CCCC2)nc1 408524233 YXWKNSVVISTGAS-GFCCVEGCSA-N 314.389 2.943 0 50 DFAA Cc1ncc(CC(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)o1 640046274 VZLWPMRJKOTDCK-MRXNPFEDSA-N 318.348 2.573 0 50 DFAA C[C@@H](CO)NC(=O)Nc1cccnc1-c1ccc(Cl)s1 189518315 QFDVADOPEYOGDQ-QMMMGPOBSA-N 311.794 2.966 0 50 DFAA Nc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccn1 193442056 FHWIWCQCSCGSSS-SJORKVTESA-N 315.392 2.891 0 50 DFAA COc1cccc(CNc2cc(C)nc(-c3cccnc3)n2)n1 194625103 OBXGJZMUBVDOGE-UHFFFAOYSA-N 307.357 2.863 0 50 DFAA O=C(CN1CC[C@@H]1C(F)(F)F)NC1C2CC3CC(C2)CC1C3 660575180 KMEHLTWPFJMEKR-CNOYCBBQSA-N 316.367 2.564 0 50 DFAA CC(C)(C[C@](O)(CO)C(F)(F)F)c1cccc2c1OCC2 116342614 SJYCIBCPQABCSD-AWEZNQCLSA-N 304.308 2.575 0 50 DFAA O=C(c1cc(Cl)ccc1F)N1CCC(O)(C(F)F)CC1 428644048 RQAAKXXAXKXGLH-UHFFFAOYSA-N 307.699 2.711 0 50 DFAA CCCC(=O)c1cc(F)c(N2CCN(C(C)=O)CC2)cc1C 454553 OEWKTAZDXNXOSN-UHFFFAOYSA-N 306.381 2.785 0 50 DFAA CCCc1cc(C(=O)OCC)c(NC(=O)CCC(=O)O)s1 5952287 OMONWXJVIHBCFS-UHFFFAOYSA-N 313.375 2.681 0 50 DFAA Cc1cccc(NC(=O)c2nnn(-c3ccccc3)c2N)c1C 11690543 MUXLFVUEWZBKMO-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA CCc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 16604091 AVCUJGBIWCDMBO-UHFFFAOYSA-N 317.414 2.968 0 50 DFAA OCc1ccc(-c2noc(CN3Cc4ccccc4C3)n2)cc1 19607834 IRENZANJQNHIJV-UHFFFAOYSA-N 307.353 2.745 0 50 DFAA C[C@@H](O)CNCCOc1ccc2ccccc2c1Br 2879969 UMPOGQFGQSCDDC-LLVKDONJSA-N 324.218 2.952 0 50 DFAA Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 2892207 QVHYEOPMMASDOF-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA aggregator COc1cc(C(=O)N[C@@H](C)c2c(F)cccc2OC)sn1 621884944 AZOHQLSJSWIIIW-QMMMGPOBSA-N 310.350 2.790 0 50 DFAA CC(C)C1CCC(NC(=O)N2CCC[C@H](n3cncn3)C2)CC1 121272865 RLOUZCXQGVICND-GPANFISMSA-N 319.453 2.839 0 50 DFAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@]1(C)CCOC1 131125076 AZEUUCSEFJXVHW-MRXNPFEDSA-N 319.792 2.743 0 50 DFAA CN(Cc1ccc2c(c1)OCCO2)c1cccc(CC(=O)O)c1 903951593 FSRHFGHNUMVOGL-UHFFFAOYSA-N 313.353 2.721 0 50 DFAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(F)cccc1Cl 107467 SHHIZGVVLGVSKQ-GFCCVEGCSA-N 312.728 2.622 0 50 DFAA CCS(=O)(=O)c1ccc2nc(-c3ccc(C=O)cc3)cn2c1 337684 BAHZRJUXJHHRDC-UHFFFAOYSA-N 314.366 2.607 0 50 DFAA CN(C)c1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 1799534 ADDQXEDWJOPRKR-INIZCTEOSA-N 324.384 2.514 0 50 DFAA C[C@H]1CN(c2ccnc3c2cnn3C)CC[C@@]12CCCN(C)C2 2325806060 QAUUZUYHYOYRRQ-KBXCAEBGSA-N 313.449 2.527 0 50 DFAA Cc1c(-c2ccccc2)n[nH]c1CN(C)Cc1ccc(=N)[nH]c1 2325860030 VGZXWGPQJZRDFX-UHFFFAOYSA-N 307.401 2.825 0 50 DFAA CC1CCN(Cn2cnn(CN3CCC(C)CC3)c2=S)CC1 102969 OEUJYXXTYMDFHO-UHFFFAOYSA-N 323.510 2.793 0 50 DFAA Cc1nc(CC(=O)NCc2cccc3ncsc23)cs1 2356162707 PQKFUIJHQLQGNS-UHFFFAOYSA-N 303.412 2.920 0 50 DFAA O=C(c1cncc(Cl)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356163066 VXRXNZDWEMPQML-MRXNPFEDSA-N 316.792 2.578 0 50 DFAA CCOc1ccc(C(=O)Nc2cccc(OCC(=O)O)c2)cc1 6702701 OOPJJUNDMDFZRZ-UHFFFAOYSA-N 315.325 2.801 0 50 DFAA CCn1ncnc1-c1c(-c2ccccc2)ncn1C[C@H]1CCCN1 65404377 FYVAFKKSTCPHCP-OAHLLOKOSA-N 322.416 2.581 0 50 DFAA O=C(CCNC[C@H](O)c1ccccc1Cl)NC1CCCCC1 65405047 ZPNCNDLOLZADKU-INIZCTEOSA-N 324.852 2.802 0 50 DFAA COc1cccc(-n2cc(CN(C)Cc3[nH]cnc3C)cn2)c1 67974797 WMZVCDFAQSIFHN-UHFFFAOYSA-N 311.389 2.544 0 50 DFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1CCCSCC1 123708872 WXUISDHIXPAYKT-UHFFFAOYSA-N 321.427 2.604 0 50 DFAA OCCCc1nc2ccccc2n1-c1cc(O)c(F)c(F)c1 65410830 UWEBOONXMMNTQL-UHFFFAOYSA-N 304.296 2.934 0 50 DFAA CC(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1nccs1)C1CC1 230091986 MGFMBUFPNATOFM-IHRRRGAJSA-N 323.462 2.955 0 50 DFAA CC1(C)[C@H](NC(=O)c2ncoc2-c2cccs2)[C@@H]2CCO[C@H]21 230154237 OBWJRVFPTKFGED-CUOATXAZSA-N 318.398 2.946 0 50 DFAA Cc1nc(C)c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1 67713078 AQSVYXMGQJTCKW-UHFFFAOYSA-N 316.430 2.904 0 50 DFAA CC1(C)CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@]2(CCOC2)O1 366530549 LVIFFDWZIYWMPV-GOSISDBHSA-N 314.385 2.578 0 50 DFAA CC(C)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)no1 124529621 QUQOKMTVDKYBEV-XJKSGUPXSA-N 317.433 2.887 0 50 DFAA COc1ccc(-n2ccnc2CN(C)Cc2cc(C)[nH]n2)cc1 216528762 DZFBLNXWKDCDKW-UHFFFAOYSA-N 311.389 2.544 0 50 DFAA COC[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CC(C)(C)O1 285591133 TZZAOPIRAGDQFY-ZDUSSCGKSA-N 320.364 2.573 0 50 DFAA COCC1(C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)CCC1 367367961 OTNORVXXTCWQSS-MRXNPFEDSA-N 321.392 2.851 0 50 DFAA CCN(Cc1cnc(-c2ccco2)nc1)CC1CCOCC1 71278861 HEPMZENIXJCTCO-UHFFFAOYSA-N 301.390 2.985 0 50 DFAA Cc1ccc(F)c(OCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 123430683 FNNLHNBORLZPFA-CABCVRRESA-N 307.365 2.683 0 50 DFAA O=C(NCCCc1nnc2ccccn12)c1cc2ccccc2o1 36358866 AVNGOAVIPCFHLA-UHFFFAOYSA-N 320.352 2.838 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@](O)(C2CC2)C1 373256530 OMDSNHGTRCONMG-GOSISDBHSA-N 314.360 2.669 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H]1CCO[C@@H](C)C1 262692176 BTUMYZWIDQGCDB-RYUDHWBXSA-N 321.373 2.926 0 50 DFAA COc1cc([C@H](C)NC(=O)[C@@H](N)C(C)C)ccc1OCC(C)C 237093415 KQLIENFYWITYBM-GUYCJALGSA-N 322.449 2.891 0 50 DFAA CC(C)N1CCO[C@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 241277603 LHMDVEZLZSXDEN-ZDUSSCGKSA-N 309.316 2.797 0 50 DFAA Cc1nc([C@H]2CCCN2S(=O)(=O)CC(C)(C)C)cs1 241588290 PBRLDNKVJXJHFK-GFCCVEGCSA-N 302.465 2.964 0 50 DFAA O[C@@H](CN1CC[C@H](n2cc(Cl)cn2)C1)c1ccccc1F 289795239 HXGSOZFYZAVMDV-WFASDCNBSA-N 309.772 2.656 0 50 DFAA COCCN1[C@@H](C)CN(CCc2ccc(F)c(F)c2)C[C@H]1C 130539214 BZGQAWAXDDPDAR-OKILXGFUSA-N 312.404 2.548 0 50 DFAA CCc1ccc(CN(C)C(=O)Cn2nc(C(F)F)cc2C)nc1 71765496 ATYAHJMENRGUSG-UHFFFAOYSA-N 322.359 2.745 0 50 DFAA CCOc1cc(Cl)ccc1S(=O)(=O)Nc1cccnc1 41091831 UHURFOZNDIDQDZ-UHFFFAOYSA-N 312.778 2.935 0 50 DFAA Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@H](C(=O)O)C1 178269082 DEMCXKMBUXNVQY-NSHDSACASA-N 316.382 2.665 0 50 DFAA Cc1noc(C)c1CCCNC(=O)[C@@H](O)c1ccc(Cl)cc1 220097872 MOFSYBOVNYMSHZ-HNNXBMFYSA-N 322.792 2.727 0 50 DFAA Cc1ccc(F)c(-c2noc(C[C@H]3CCCS(=O)(=O)C3)n2)c1 293142954 KBYGWMJMIPBOEB-LLVKDONJSA-N 324.377 2.551 0 50 DFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)C1 179015977 OGSAQXZOPFRRQI-HZPDHXFCSA-N 318.461 2.954 0 50 DFAA CO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 426477394 NAAZEVXQTPNNHH-INIZCTEOSA-N 311.385 2.703 0 50 DFAA CCCn1nccc1-c1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C2 426509560 USHNYVCRVSQEOF-UONOGXRCSA-N 310.401 2.980 0 50 DFAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCC[C@]2(CCCO2)CC1 97757855 LNILKVXFDMNBCK-KRWDZBQOSA-N 320.389 2.505 0 50 DFAA Cn1cccc1CCC(=O)N1CCC[C@H]1c1nc(C2CC2)no1 426517756 BQDLXNVAZFDCAV-AWEZNQCLSA-N 314.389 2.582 0 50 DFAA O=C(O)CCCCN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95376460 SJPIWCNXWAKHSB-OAHLLOKOSA-N 305.374 2.819 0 50 DFAA COc1ccc(/C=C/C(=O)N2CCCC[C@H]2[C@@H](C)N)cc1F 237304026 WSKXZXNFAJYSGS-VJFPMYOSSA-N 306.381 2.576 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](Sc3nccc(C)n3)C2=O)cc1 96850533 UNIQIXPIYCSQFE-ZDUSSCGKSA-N 313.382 2.518 0 50 DFAA Cc1ccccc1[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1C(=O)O 212715950 WZBXLZMXZQRHSM-SJORKVTESA-N 314.385 2.900 0 50 DFAA Cc1ccc2nc(CCc3nc([C@@H]4CCOC4)no3)[nH]c2c1C 96153233 RBDYYECUNMURPA-GFCCVEGCSA-N 312.373 2.852 0 50 DFAA CCc1nccn1CCCn1cc(-c2ccc(Cl)nc2)nn1 91665360 YOJIPFBLDNNVRM-UHFFFAOYSA-N 316.796 2.843 0 50 DFAA COCCN1C[C@@]2(CCCN(CCC=C(C)C)C2)CCC1=O 91254620 ZUPIBRCZOIMSOU-SFHVURJKSA-N 308.466 2.694 0 50 DFAA Cc1nc(NCc2noc(C3CCCC3)n2)c2cccnc2n1 95382279 XPAWUJPYPGAKKR-UHFFFAOYSA-N 310.361 2.986 0 50 DFAA Cc1cc([C@@H]2CCCN2Cc2nnc(-c3cccnc3)o2)on1 244874168 WVUXLBYCJWRLGQ-ZDUSSCGKSA-N 311.345 2.765 0 50 DFAA Cc1ccc(C)c([C@@H](C)NC(=O)CN(C)Cc2cc(C)on2)c1 244794625 QQPQRNBIFVTESA-OAHLLOKOSA-N 315.417 2.909 0 50 DFAA COCCN(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1 244708008 KLXKYMXASAZZOI-CQSZACIVSA-N 322.424 2.721 0 50 DFAA Cc1cc2occ(C(=O)N3CCC[C@@H]3C(=O)N(C)C)c2cc1C 184921101 AOFGVHGQLQUWAT-OAHLLOKOSA-N 314.385 2.742 0 50 DFAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43CO)[C@H]1CCC2=O 253527926 SGYCSWPEAHDOHE-FLDBGCDGSA-N 304.430 2.852 0 50 DFAA O=C(Cc1c(F)cccc1F)N1CCCC2(CCOCC2)C1 268053806 RRFGOBCBPNOGSP-UHFFFAOYSA-N 309.356 2.927 0 50 DFAA O=C(O)CCCN(Cc1ccccc1)Cc1cc2n(n1)CCC2 864095889 LITWLHSLALKUBH-UHFFFAOYSA-N 313.401 2.696 0 50 DFAA O=C1C[C@@H](C(=O)NCCc2ccccc2Cl)C2(CCCC2)O1 828244519 JAAWQMDIBGLLSR-ZDUSSCGKSA-N 321.804 2.875 0 50 DFAA COc1cccc2c(=O)n(CC3(N(C)C)CCCCC3)cnc12 584886038 YBVMGYXOEIXTRY-UHFFFAOYSA-N 315.417 2.670 0 50 DFAA O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@H]1CC(C2CC2)=NO1 1875328009 UMSXGJCVJPTYJI-DZGCQCFKSA-N 304.777 2.998 0 50 DFAA CCOC(=O)c1sc(NC(=O)CCc2cnco2)cc1C 1875321459 JENVJNZMESTRHQ-UHFFFAOYSA-N 308.359 2.793 0 50 DFAA C=Cc1ccc(N2CCC[C@H](CNC(=O)c3ccco3)C2)nc1 952961402 BGMVTHJKUMGCGI-OAHLLOKOSA-N 311.385 2.964 0 50 DFAA COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(CSC)o1 952985608 IPBAAMUGCPWRLR-CQSZACIVSA-N 320.414 2.997 0 50 DFAA O=C(c1occ2c1CCOC2)N1CCC[C@H](C2CCOCC2)C1 886156724 MFRLLCQOMGTKQG-AWEZNQCLSA-N 319.401 2.631 0 50 DFAA CCc1nc(NCc2nc(C)cc(O)n2)c2ccsc2n1 894378675 YUOSMLXGUVCIMQ-UHFFFAOYSA-N 301.375 2.670 0 50 DFAA CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCC1 271338020 WTUKYMDHYPXSOY-MRXNPFEDSA-N 318.417 2.996 0 50 DFAA CCn1cc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)cn1 275490876 JAJJWQXABTXMDR-QGZVFWFLSA-N 313.449 2.852 0 50 DFAA Cc1ccccc1[C@H](C)N(C)c1cc(N2CCOCC2)ncn1 277432998 MBWPFTBTDUFHDF-HNNXBMFYSA-N 312.417 2.819 0 50 DFAA O=C(N1CCC(n2cccc2)CC1)C1(Br)CCC1 170666887 LBAILBRFMGZCAH-UHFFFAOYSA-N 311.223 2.969 0 50 DFAA O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccnc(O)c1 280511074 IJEWMTUIBFQRLC-IUODEOHRSA-N 300.333 2.992 0 50 DFAA OCc1ccc(NCc2c(F)cccc2N2CCCC2)nc1 225414275 FEPKXKOFNOMKKX-UHFFFAOYSA-N 301.365 2.925 0 50 DFAA CCN(C[C@@H]1CCCO1)C(=O)NC1CC(C)(C)NC(C)(C)C1 171576550 SHKLDBXLEOUKEU-AWEZNQCLSA-N 311.470 2.506 0 50 DFAA C[C@H]1C(=O)NCCCN1Cc1csc(-c2ccccc2F)n1 189320317 APSCVUAPTUZBHL-NSHDSACASA-N 319.405 2.660 0 50 DFAA O=C(c1cncc(O)c1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529159099 OHCSNIKIROQLBB-ZWKOTPCHSA-N 324.380 2.780 0 50 DFAA Cc1cc(C[C@@H]2CN(c3cc(C)nc4ccccc34)C[C@@H]2O)on1 1529171737 AOAUEFYTHLJNCR-KUHUBIRLSA-N 323.396 2.879 0 50 DFAA CCCN(Cc1cccc(OC)c1)Cc1cc(O)nc(C)n1 1529197817 XCBHZMIPMXTFET-UHFFFAOYSA-N 301.390 2.911 0 50 DFAA CN(C(=O)c1ccnc2ccccc12)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529167649 KZTAXCXFNLYWKX-NMWPEEMBSA-N 310.397 2.856 0 50 DFAA Cc1cccnc1[C@H](C)NC(=O)c1ccccc1CCC(=O)O 1600589775 JGTSOUCYXUPDAM-ZDUSSCGKSA-N 312.369 2.898 0 50 DFAA CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CCCC3=O)c3cccc1c32 1740816441 HEMCENBMWQJRNB-DJJJIMSYSA-N 311.381 2.786 0 50 DFAA CC(C)COc1ccc(C(=O)NCCN2CCCCC2)cc1 16579889 VDNWFSDWBJXJFL-UHFFFAOYSA-N 304.434 2.937 0 50 DFAA COc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 19564589 IQMWMHQVTQGBIF-UHFFFAOYSA-N 310.397 2.653 0 50 DFAA biogenic CC(=O)c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 4834458 RLLRWAGOFLYIDU-UHFFFAOYSA-N 306.325 2.722 0 50 DFAA O=C(c1ccc(Cl)cn1)N1CCc2[nH]nc(C3CC3)c2CC1 1857670447 NUORYKRHXOMCQY-UHFFFAOYSA-N 316.792 2.577 0 50 DFAA CC(C)c1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)nc(C(C)C)n1 241774045 RMOJQTLLOGNZTJ-CABCVRRESA-N 320.481 2.615 0 50 DFAA Cn1ccc(CCC(=O)N[C@@H]2CCCc3cc(F)ccc32)n1 344578654 JMVOYNKEYLBICT-MRXNPFEDSA-N 301.365 2.686 0 50 DFAA Cc1nnc(NC(=O)[C@@H]2COc3ccc(Cl)cc32)n1C1CC1 367501238 WGBLSOLRTIVBOL-GFCCVEGCSA-N 318.764 2.690 0 50 DFAA Nc1c(C(=O)N2CCOC[C@H]2C2CC2)ccnc1-c1ccccc1 375090256 NSEVYVWPNKWZQR-INIZCTEOSA-N 323.396 2.582 0 50 DFAA Cc1cc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)n(C)n1 158554125 YAGWUVPAOCVZHX-UHFFFAOYSA-N 315.764 2.820 0 50 DFAA CN(C)CCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCCN32)cc1 585121805 APIMVLXCEAXZMW-ROUUACIJSA-N 315.461 2.746 0 50 DFAA Cc1cnc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1C 935849591 KUCACYGFTSGXBR-HXUWFJFHSA-N 324.424 2.865 0 50 DFAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccs1 36476 QLGHHLCYBYOOCS-UHFFFAOYSA-N 321.398 2.671 0 50 DFAA Cc1ccc2nsnc2c1NC(=O)CN1CCC(C)CC1 4488002 MZSXULBBXAAGNQ-UHFFFAOYSA-N 304.419 2.670 0 50 DFAA Cc1ccc(NC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 2100477254 XBUPTAUQDOCLLQ-WBVHZDCISA-N 311.385 2.769 0 50 DFAA Cc1cc(=N)[nH]c(N2CC[C@@H](c3cn(C)c4ccccc34)C2)n1 2325764466 OXKXLCWMHUADTG-CYBMUJFWSA-N 307.401 2.683 0 50 DFAA C[C@H]1CC[C@H](NC(=O)CCc2cccc3ccccc23)C(=O)N1 2325770186 OXHNWPKSZVISSQ-GUYCJALGSA-N 310.397 2.556 0 50 DFAA O=C(NC1CCCC1)c1ccc(I)cc1 326704 CENKZULSNTZDBW-UHFFFAOYSA-N 315.154 2.964 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(F)c2)N1 408719 AZRREACPAUAYLH-CVEARBPZSA-N 310.328 2.995 0 50 DFAA biogenic O=C(CSc1cccc2cccnc12)NC1=NCCS1 440448 LZEMTKTUEAVVHI-UHFFFAOYSA-N 303.412 2.546 0 50 DFAA O=C(NC(=S)c1cccc2ccccc12)N1CCOCC1 612917 HMLUFQPZVCTUIA-UHFFFAOYSA-N 300.383 2.557 0 50 DFAA COc1ccc(CN2CCC[C@H](CO)C2)cc1Br 3110220 ZBBUBVXYJKVCBF-LBPRGKRZSA-N 314.223 2.662 0 50 DFAA Cc1occc1C(=O)N(CCCn1ccnc1)Cc1ccncc1 55089790 VZOAHNSTWYZWRB-UHFFFAOYSA-N 324.384 2.912 0 50 DFAA O=C(NCc1ccccn1)C1CCN(C[C@@H]2CC=CCC2)CC1 9680433 BEVKFQCZUHDBEF-MRXNPFEDSA-N 313.445 2.766 0 50 DFAA OCCn1c(-c2cccc(-n3cccn3)c2)nc2ccccc21 65497722 CAKAEMBSKBWRET-UHFFFAOYSA-N 304.353 2.881 0 50 DFAA COc1ccc(CCNC(=S)NCc2ccccc2)cc1 4615904 FAQFDKHLZOBBAG-UHFFFAOYSA-N 300.427 2.902 0 50 DFAA Cc1cnn(C[C@@H]2CCCCN2C[C@@H](O)c2ccccc2F)c1 229551449 CTVYGCVQOSXKAO-MAUKXSAKSA-N 317.408 2.919 0 50 DFAA CCOc1cc2c(cc1CN1CC[C@H](CNC(C)=O)C1)CCC2 67954380 PMLVTZHUGRUHSF-OAHLLOKOSA-N 316.445 2.532 0 50 DFAA COc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)cc1F 321965930 APEVBUQJWLOUCJ-GFCCVEGCSA-N 323.364 2.797 0 50 DFAA C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c2nccn21 428217750 XGLFRTOBTMEBRE-TWEGOSIYSA-N 314.433 2.967 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2)n1 67804413 QDMFPSWPEHJHBP-ZDUSSCGKSA-N 323.400 2.709 0 50 DFAA CCN1CCN(C(=O)c2c(C)cccc2C)C[C@@H]1c1ncc[nH]1 433468663 UIHCAENZBGAAMU-OAHLLOKOSA-N 312.417 2.546 0 50 DFAA CCc1ccc(CN2CCC3(CCC(=O)N(C)CC3)CC2)nc1 67867083 LCRMTDPZMZUDIQ-UHFFFAOYSA-N 315.461 2.869 0 50 DFAA Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC(O)CC1 67786680 AINIYNNOYDOMLH-UHFFFAOYSA-N 308.328 2.885 0 50 DFAA CN1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2ccc(F)cc2)nn1 1506414372 YKZMCTPSHXUVHV-CVEARBPZSA-N 312.392 2.956 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@@H](C(=O)O)C3)oc12 237662986 CLBWEHNOAWKNLO-GFCCVEGCSA-N 301.342 2.905 0 50 DFAA CCOC(=O)c1cnn2c(C(F)(F)C(F)(F)F)cc(C)nc12 2756194 HLSHLDNJICVSSZ-UHFFFAOYSA-N 323.221 2.869 0 50 DFAA Cc1nn(CCC(=O)N(C)CCC[C@@H]2CCCO2)c(C)c1C 218976090 PKMZQDMCUNPWOJ-MRXNPFEDSA-N 307.438 2.616 0 50 DFAA O=C(c1nc(=O)c2ccccc2[nH]1)N1CC[C@H]1c1ccccc1F 364087852 CMJUNSCNRRSXTP-HNNXBMFYSA-N 323.327 2.649 0 50 DFAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1 237996425 JWUVHSKTAVFXNZ-CYBMUJFWSA-N 319.405 2.858 0 50 DFAA CCOc1ncnc2c1CN(C(=O)c1coc3ccccc13)CC2 371202977 OVKLPGCNSULGBD-UHFFFAOYSA-N 323.352 2.820 0 50 DFAA Fc1cccnc1OC1CCN(CCc2cscn2)CC1 450878188 IUAMDKRKBPLTEU-UHFFFAOYSA-N 307.394 2.763 0 50 DFAA O=C(Nc1cccc2c1OCCO2)N1CCC[C@H]1[C@H]1CCCO1 375368068 RMXPRBUNFRSUAI-UONOGXRCSA-N 318.373 2.633 0 50 DFAA O=C(NCc1ccc(OC(F)F)cc1)N[C@H]1CCC[C@H]1F 455087503 CRMJXFVRCNHJTH-NEPJUHHUSA-N 302.296 2.978 0 50 DFAA Cc1c(CN2CCN(Cc3ccc(Cl)cc3)CC2)cnn1C 72423374 QLHSAEZNKMYHGD-UHFFFAOYSA-N 318.852 2.700 0 50 DFAA COc1cc(Cl)cc(CN(C)Cc2noc(C)n2)c1OC 216418162 MKUXXXOYXZUINO-UHFFFAOYSA-N 311.769 2.681 0 50 DFAA C[C@@H]1c2ccsc2CCN1C(=O)c1cc(C(=O)O)ccn1 263446011 YOABOBFNPQHUFD-SECBINFHSA-N 302.355 2.601 0 50 DFAA COc1cccc(F)c1C(=O)NCc1cc(C(C)(C)C)n[nH]1 221164831 XJPWSHLIUGNWCF-UHFFFAOYSA-N 305.353 2.785 0 50 DFAA CC(C)[C@@]1(C(=O)O)CCN(C(=O)CC(C)(C)C(F)(F)F)C1 263530783 MHEIENBFSGTVTN-CYBMUJFWSA-N 309.328 2.924 0 50 DFAA CCSCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 223417573 WSGFGBCUYRFZRW-FSDCSDTHSA-N 305.443 2.502 0 50 DFAA Cc1cccc(C)c1OC[C@@H](O)CN[C@@H]1CC(C)(C)OC1(C)C 178619350 QGWWJJIVIFLZPR-JKSUJKDBSA-N 321.461 2.979 0 50 DFAA CC(C)OCCNC(=O)N(C)Cc1ccc2ccccc2n1 426399312 ZDABKSNRMROKEG-UHFFFAOYSA-N 301.390 2.801 0 50 DFAA C[C@H](NC[C@@](C)(O)c1cnn(C)c1)c1cc2c(s1)CCC2 162402461 PRYWICBODSZFBG-MEDUHNTESA-N 305.447 2.529 0 50 DFAA Cc1cc(C)cc(N2CCC(NC[C@@H]3CCCNC3)CC2)c1 426573146 NBPCHNHFOCIWHT-QGZVFWFLSA-N 301.478 2.861 0 50 DFAA Cc1cnccc1N1CCCN(C(=O)NC2CCCCC2)CC1 426667308 DMUAQVFEVKAQFC-UHFFFAOYSA-N 316.449 2.944 0 50 DFAA Cc1ccc2nc(C(=O)NCCCc3nc(C)cs3)cn2c1 91351081 IUBYMBIYASETFQ-UHFFFAOYSA-N 314.414 2.770 0 50 DFAA Cc1cc(C)n(CCCN(C)c2nc3c(s2)c(C)nn3C)n1 95508429 IGJDNRGIWMNSST-UHFFFAOYSA-N 318.450 2.678 0 50 DFAA CN1CCCC[C@H]1C(=O)NCCc1cccc(C(F)(F)F)c1 97436984 FTMATRFEPYWLBX-AWEZNQCLSA-N 314.351 2.848 0 50 DFAA C[C@H](NC(=O)c1cn2ccsc2n1)c1nc2ccccc2[nH]1 91381756 GTSXRLMNQKDQTO-VIFPVBQESA-N 311.370 2.763 0 50 DFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)[C@H](O)C[C@H]12 247969938 UHQGCIIQUZBJAE-MGYGNFHQSA-N 302.414 2.883 0 50 DFAA CCC[C@@H](NC(=O)Cc1nc(C)sc1C)c1nccn1C 244701206 KCCZKCSLKLJBOF-GFCCVEGCSA-N 306.435 2.694 0 50 DFAA CCCCn1cc(C(=O)NCc2ccc3cncn3c2)c(C)n1 297003440 AHOLLCNQJZABEM-UHFFFAOYSA-N 311.389 2.569 0 50 DFAA COc1cc(F)c([C@@H](C)N[C@@H](C)c2nccn2C)cc1OC 182967864 FJTYFEFLQPQHHP-MNOVXSKESA-N 307.369 2.988 0 50 DFAA CCSCC(=O)N(C)CCc1nc2cc(Cl)ccc2[nH]1 299777957 LXRZYMYQXLWYIW-UHFFFAOYSA-N 311.838 2.970 0 50 DFAA CCc1nc(CCNC(=O)c2c(C)n[nH]c2C2CC2)cs1 299798032 QKFCUEBBPPPWJY-UHFFFAOYSA-N 304.419 2.587 0 50 DFAA COCc1cc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)[nH]n1 824475168 ISWPZXJGCXRKBC-GFCCVEGCSA-N 319.430 2.662 0 50 DFAA CCCc1cc(CNC(=O)c2nc3c(s2)CCCC3)on1 823020295 PPIUANFVFWXLGL-UHFFFAOYSA-N 305.403 2.892 0 50 DFAA CSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1cccc(C)c1F 670416152 RTYJTNAWGWOYLV-VIFPVBQESA-N 319.361 2.826 0 50 DFAA O=C(N[C@@H]1c2ccccc2CC1(F)F)[C@H]1CC(C2CC2)=NO1 1875312174 VJVNHVPJMYZUQB-ZIAGYGMSSA-N 306.312 2.590 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CCc3sccc3[C@H]2C)CC1 1875365798 HMTCCFKKNYJEJQ-GFCCVEGCSA-N 318.442 2.618 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)[C@@H](C)Sc1ccc(C)cc1 952977609 NRRHEAWKDVZDJU-CYBMUJFWSA-N 322.474 2.897 0 50 DFAA CN(Cc1csc(C(C)(C)O)n1)Cc1cn2ccnc2s1 894768012 OXTYLCRADTVCRB-UHFFFAOYSA-N 322.459 2.712 0 50 DFAA CC1(C)COC2(CCN(C(=O)[C@H]3C[C@@H]3C3CCC3)CC2)OC1 170020809 PFCXJEKFLVZFEX-CABCVRRESA-N 307.434 2.814 0 50 DFAA CC(C)CN(CC(=O)O)C(=O)C[C@@H](C)Cc1cccc(F)c1 170592049 RNLJOIMOPDVKKE-ZDUSSCGKSA-N 309.381 2.964 0 50 DFAA Cc1cncc(NC(=O)c2cn(-c3ccccc3Cl)nn2)c1 170654987 DZBVPAFSVPEDKB-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA CCn1c(NC(=O)c2ccc3nccn3c2)nc2ccccc21 170861293 XFEBEJYEQLYZSM-UHFFFAOYSA-N 305.341 2.956 0 50 DFAA CC(C)C(=O)O[C@@H](C(=O)O)c1ccc(Br)cc1 90760632 RWHIJSKRSRZFNL-SNVBAGLBSA-N 301.136 2.774 0 50 DFAA in-vitro CC(C)(C)OC(=O)N1CC[C@@]2(Cc3ccccc3NC2=O)C1 91303116 AUNJZAUQELRVHO-QGZVFWFLSA-N 302.374 2.808 0 50 DFAA in-vitro O=C(NC1CCC(F)(F)CC1)N1CCC(n2ccnc2)CC1 408022226 RZTXEFNQVSIABH-UHFFFAOYSA-N 312.364 2.808 0 50 DFAA Cc1nc(S(=O)(=O)NC(=O)CCC2CCCC2)sc1C 408497598 MBLHWWXVUCCVMN-UHFFFAOYSA-N 316.448 2.535 0 50 DFAA C[C@H]1CN(c2cc(C(=O)c3cccnc3)ccn2)C[C@H](C2CC2)O1 408524818 ZORBFJYJBHVUCH-SUMWQHHRSA-N 323.396 2.711 0 50 DFAA Cc1cc2c(cc1C)[C@H](NCc1nnnn1C1CC1)CCCO2 678592222 BDRRTJXYEVFJAT-OAHLLOKOSA-N 313.405 2.628 0 50 DFAA CCCC[C@](C)(CO)NC(=O)c1cc(F)c(F)c(F)c1F 585089885 YMIVFMSNXOAMFK-CQSZACIVSA-N 307.287 2.914 0 50 DFAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCn2ccnc21 585122461 JZDBMZMOQCVLNR-UHFFFAOYSA-N 310.401 2.529 0 50 DFAA CN(C(=O)C1CCC(C(=O)O)CC1)[C@@H]1CCc2ccccc2C1 194415224 DLWPFEQBEPTLGL-VMBOVVBDSA-N 315.413 2.893 0 50 DFAA O=[S@@](Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1 194540285 RWIJOTTZSXRFIG-NRFANRHFSA-N 322.821 2.847 0 50 DFAA CN(C)c1cccc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)c1 653328183 FRCOYSVIGQBECI-IRXDYDNUSA-N 324.380 2.796 0 50 DFAA COc1cccc2cc(OC[C@@H]3CCNC(=O)CC3)cnc12 664131249 ZPACBGJPAZIFJD-LBPRGKRZSA-N 300.358 2.539 0 50 DFAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1c1ccc(F)cc1C 909387816 QDGOCAORDXMXQV-INIZCTEOSA-N 318.392 2.832 0 50 DFAA N[C@@H]1C[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)[C@H]2C[C@H]21 1615057363 GGDSYAOBRQXWFQ-SRRSOLGSSA-N 307.756 2.904 0 50 DFAA O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCCCO1 12372849 SHRRNOLUEZZWNB-UHFFFAOYSA-N 324.283 2.699 0 50 DFAA CC[C@H](C(=O)Nc1ccccc1F)n1c(C)cc(C)nc1=O 16625422 DLSOEEHISMPOEK-CQSZACIVSA-N 303.337 2.589 0 50 DFAA C[C@H]1CCC[C@H](N2CCN(C(=O)COc3ccccc3)CC2)C1 19831428 KUMRTRUSRFZJRG-IRXDYDNUSA-N 316.445 2.788 0 50 DFAA C[C@H]1CCC[C@H](N2CCN(C(=O)Cc3ccccc3)CC2)C1 19913657 ZATYPZMRWGVSKI-WMZOPIPTSA-N 300.446 2.952 0 50 DFAA O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@H]1C[C@H]1C(=O)O 5428600 FEWTZJMQDFMOPU-DTWKUNHWSA-N 321.226 2.583 0 50 DFAA O=C(NCc1ccccc1Cl)C(=O)Nc1cccc(F)c1 2350233 UEENNRDBENMTPK-UHFFFAOYSA-N 306.724 2.734 0 50 DFAA COc1ccc(-n2[nH]c3c4c(ncc3c2=O)CCCCC4)cc1 13813300 UBLXQFIFWUEVGJ-UHFFFAOYSA-N 309.369 2.991 0 50 DFAA CC(C)[C@@H]1OCC[C@@H]1c1nc(CC(=O)Nc2ccccc2)no1 252483163 DWJKCFHQKAVWGU-BBRMVZONSA-N 315.373 2.779 0 50 DFAA C[C@H]1CCCCN1C(=O)CN1CCCC[C@H]1c1cccn1C 266932774 NBKQFUZNCKOFAE-RDJZCZTQSA-N 303.450 2.953 0 50 DFAA O=C(O)Cc1ccccc1CN1CC[C@H](Cc2nccs2)C1 903956832 ICIDTWUQELIDAF-CYBMUJFWSA-N 316.426 2.835 0 50 DFAA COc1ccc(CC(=O)Nc2nn(C)c3nc(C)cc(C)c23)cc1 6668714 HSDNQXAHOKKGEU-UHFFFAOYSA-N 324.384 2.775 0 50 DFAA CCn1ccc(C(=O)Nc2nc(C)cc(-c3ccccc3)n2)n1 2100534449 IYDHKZMVHXGVTO-UHFFFAOYSA-N 307.357 2.921 0 50 DFAA Cc1c(F)cccc1C1(C(=O)N[C@H]2CCN3CCC[C@@H]3C2)CC1 2325779591 QVAZGODADSXAJZ-LSDHHAIUSA-N 316.420 2.909 0 50 DFAA CC(=O)Nc1nc2cc3nc(NC(C)=O)sc3cc2s1 40581 ZKSOZRQGIPAZCA-UHFFFAOYSA-N 306.372 2.823 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 81297 FVIXYPNVMLVPNF-VXGBXAGGSA-N 300.358 2.899 0 50 DFAA COc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1 615098 GJILMUPEFRPSBF-UHFFFAOYSA-N 313.386 2.573 0 50 DFAA O=C(CCCCc1ccccc1)N1CCC[C@]12CCCNC2=O 2356136495 XECGCBCUQGAPQG-IBGZPJMESA-N 314.429 2.671 0 50 DFAA O=C(CCCCc1ccccc1)N1CCC[C@@]12CCCNC2=O 2356136496 XECGCBCUQGAPQG-LJQANCHMSA-N 314.429 2.671 0 50 DFAA CCOC(=O)c1ccccc1NC(=O)CC[C@H](C(=O)O)C(C)C 4828805 ZQPVDHCXKIUYIN-LBPRGKRZSA-N 321.373 2.939 0 50 DFAA COc1cccc(NC(=O)C(=S)NCc2ccccc2)c1 4833612 GKTRTFHWYLKLOD-UHFFFAOYSA-N 300.383 2.751 0 50 DFAA CC1CCN(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 7504447 RJUKAGAYIMPEGG-UHFFFAOYSA-N 305.397 2.800 0 50 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2.635 0 50 DFAA O=C(CCC(F)(F)F)N1CCCC[C@@H]1CCn1cccn1 82170919 RFUSSVNEHIYRGH-GFCCVEGCSA-N 303.328 2.997 0 50 DFAA CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc3cc(OC)ccn23)C1 619129400 SEUJBPRWCXVNMJ-CHWSQXEVSA-N 301.390 2.994 0 50 DFAA O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccsn1 294966071 NXIYEMPIAPTGCQ-GXTWGEPZSA-N 306.362 2.932 0 50 DFAA Cc1cc(C)cc(N2CCN(c3nc(C)nc(C)c3C)CC2=O)c1 95391687 FWQQOYVZXBXTJD-UHFFFAOYSA-N 324.428 2.872 0 50 DFAA Nc1ccc([C@H](C(=O)O)N2CC=C(c3ccccc3)CC2)cn1 95367540 MGHQBEIYNHVMEM-QGZVFWFLSA-N 309.369 2.579 0 50 DFAA Oc1cccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1 91847863 ONFINLONFAKGKG-RBUKOAKNSA-N 323.440 2.884 0 50 DFAA COC[C@@H]1CCCN1C(=O)Nc1cccc(-c2ccn[nH]2)c1 95527385 VUKQDJBSTYTZHF-AWEZNQCLSA-N 300.362 2.719 0 50 DFAA CCN(CC)C(=S)NC1CCN(C(=O)OC(C)(C)C)CC1 242894205 GNUBYQSQNWDMRQ-UHFFFAOYSA-N 315.483 2.602 0 50 DFAA Cc1nc(C)c2c(n1)O[C@H](CN(C)Cc1cc(C(C)C)on1)C2 244734352 NEAAQWYQVIRKAS-AWEZNQCLSA-N 316.405 2.640 0 50 DFAA 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CC[C@@H](Nc1cccc(N2CCN(C(C)C)CC2)c1)C(=O)OC 253425339 SNQQHFDFYKOKGV-QGZVFWFLSA-N 319.449 2.581 0 50 DFAA O=C(c1ccc[nH]1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 72457030 ISKJCEBMYKDEAT-UHFFFAOYSA-N 313.445 2.741 0 50 DFAA Cc1cccc2c(=O)c(C(=O)N3CCC(C(F)F)CC3)c[nH]c12 332515303 MEOKHFVMSPBQHM-UHFFFAOYSA-N 320.339 2.954 0 50 DFAA CCc1nn(C)c(CC)c1CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 367965656 MUCFQJHRCBREQA-IRXDYDNUSA-N 305.466 2.934 0 50 DFAA CCC[C@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)NC 215006655 YXTSZGSTKXTQCN-LBPRGKRZSA-N 319.792 2.533 0 50 DFAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)[C@H](C)n1cccn1 262351108 BKJPDKNSPHEVHG-NSHDSACASA-N 317.345 2.568 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@@H]1O 72117283 HAOKOWUZLBYDOR-YUTCNCBUSA-N 311.809 2.869 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)c(C)c1 72153547 CUWYLPNMTSAEJL-HNNXBMFYSA-N 316.445 2.989 0 50 DFAA CN(Cc1ccoc1)C[C@H]1CC[C@@H](Cc2ccc(CO)cc2)O1 72418509 AGZMATIZDMWMEP-RBUKOAKNSA-N 315.413 2.994 0 50 DFAA 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319.405 2.988 0 50 DFAA COc1ccc(F)c(Cn2cc(C[C@@H](C)SC)nn2)c1F 91725057 QICINVVAKOGQJU-SECBINFHSA-N 313.373 2.907 0 50 DFAA CC1(C)CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2)nn1 294123186 KNXRQHDPKXJORA-CYBMUJFWSA-N 302.422 2.633 0 50 DFAA CC(C)n1cncc1CN1CCN(c2ccc(Cl)cn2)CC1 97532302 WJMPGRYKELQMMP-UHFFFAOYSA-N 319.840 2.835 0 50 DFAA COc1cc2nc(-c3cccc4c3OCC4)nc(N)c2cc1OC 97766747 GTNBDUHEZAIOBO-UHFFFAOYSA-N 323.352 2.831 0 50 DFAA Cc1ccc([C@@H](C)CCN2CCC(O)(Cn3ccnc3)CC2)o1 97784758 RHFWDYSICVAHIG-HNNXBMFYSA-N 317.433 2.805 0 50 DFAA Cc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)C3CC3)C2)cc1F 96154129 ASYVJXJVPWPWFU-CQSZACIVSA-N 319.380 2.657 0 50 DFAA Cc1cnc(NC(=O)COc2cccc3c2ccn3C)s1 252498888 RPASQZNNAPSKNF-UHFFFAOYSA-N 301.371 2.961 0 50 DFAA CCc1ccccc1NC(=O)CN1CCO[C@H]2CCCC[C@H]21 298743581 TWIZURKTXSFUKO-SJORKVTESA-N 302.418 2.831 0 50 DFAA CC[C@@H](NC(=O)CSCCN1CCCC1)c1cc(C)ccn1 299789110 WYLVXGNQJJGIHM-OAHLLOKOSA-N 321.490 2.786 0 50 DFAA COc1ccc(CN2CC[C@]3(OC)CC[C@H](O)C[C@H]23)c(C)c1C 299761783 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307.777 2.666 0 50 DFAA CCN(CC)C(=O)c1cccc(-c2cc(OC)c(C)[nH]c2=N)c1 2356147981 AZMGKPXXCXZDSB-UHFFFAOYSA-N 313.401 2.960 0 50 DFAA O=C(N[C@H]1CCCOc2ccccc21)[C@@H]1CCCc2[nH]ncc21 134217027 PLRPWOKCZNHFQA-DOMZBBRYSA-N 311.385 2.860 0 50 DFAA CON(C)C(=O)c1cccc(OCCOc2ccccc2)c1 10154907 LUMZFXFSYMEMHY-UHFFFAOYSA-N 301.342 2.778 0 50 DFAA Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(O)cc3)C2=O)c(C)c1 100936615 KNKGVPUWXAUTSF-OAHLLOKOSA-N 310.353 2.753 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nccn2C(C)C)c1 282238185 PTJXCIUPCLVKKW-NVXWUHKLSA-N 315.417 2.781 0 50 DFAA CCC(=O)Nc1ccc(NC(=O)c2ccnnc2)cc1Cl 55211609 ZKDWQUXYZBXAJZ-UHFFFAOYSA-N 304.737 2.731 0 50 DFAA Cc1cccc2c1nc(CCO)n2-c1cc(O)c(F)c(F)c1 65508090 LYRZMWOITACFPU-UHFFFAOYSA-N 304.296 2.853 0 50 DFAA Cc1noc(C)c1[C@@H]1CCCN1Cc1ncccc1C(=O)O 65393503 OHUCHBRUDZBRIY-AWEZNQCLSA-N 301.346 2.722 0 50 DFAA CCc1cc(CN(C)[C@@H](C(=O)O)c2ccc(OC)c(F)c2)on1 1506395984 KZCRNMATLWEISH-OAHLLOKOSA-N 322.336 2.642 0 50 DFAA COCC(=O)Nc1ccc(Oc2ccsc2C(=O)OC)cc1 8887758 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Cc1ccc(/C=C/C(=O)NC[C@H](O)c2ccccn2)cc1Cl 492833852 TUVBNDHEAGNOQZ-WAVCKPEOSA-N 316.788 2.906 0 50 DFAA Cc1ccccc1-c1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1 72151971 RZAUQAVGNUUXQL-UYAOXDASSA-N 311.425 2.837 0 50 DFAA CCOc1ncccc1C(=O)N(C)CCCc1c(C)n[nH]c1C 219543412 MJFWQOSHBGYBPU-UHFFFAOYSA-N 316.405 2.525 0 50 DFAA CC(C)N1CCC(NC(=S)NCc2ccc(F)cc2)CC1 13784077 OGGBZSKEEIKUMI-UHFFFAOYSA-N 309.454 2.663 0 50 DFAA COc1ccc(-c2nnc(NC(=O)NCC3CC3)s2)cc1 130812227 XFLQHRZCVJVIMG-UHFFFAOYSA-N 304.375 2.745 0 50 DFAA CCC(=O)N1CC[C@H](NC(=O)c2coc3ccc(CC)cc23)C1 286766167 NCLAUEWOWQVKFH-ZDUSSCGKSA-N 314.385 2.736 0 50 DFAA COCc1ccc(C(=O)N(C)[C@H](COC)c2ccccn2)s1 215926220 LFDCXYIGHWJXDL-CQSZACIVSA-N 320.414 2.749 0 50 DFAA O=C(NC1Cc2ccccc2C1)c1ccccc1[C@@H]1CCNC1 72171105 KTWRXSCJYHTERJ-MRXNPFEDSA-N 306.409 2.661 0 50 DFAA O=C(CCc1ncc[nH]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 287399063 DLCRFLGVSKXEBL-CQSZACIVSA-N 319.792 2.596 0 50 DFAA CC(C)N1CCC[C@@H](N2CCCN(c3ccccc3)CC2)C1=O 177689380 AYRKOIAYEXDQOU-GOSISDBHSA-N 315.461 2.598 0 50 DFAA O=C(NCc1nc(-c2ccccc2)n[nH]1)N1C[C@H]2CC=CC[C@H]2C1 426698508 WIBWPYQJSVITLG-GASCZTMLSA-N 323.400 2.579 0 50 DFAA CSCC(=O)N1CCC(c2nc3c(C)cccc3[nH]2)CC1 82162044 XOFXDDRAUOLLES-UHFFFAOYSA-N 303.431 2.940 0 50 DFAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1nc2ccccc2[nH]1 426513759 UGLNAPSMLFMFKJ-LBPRGKRZSA-N 320.274 2.991 0 50 DFAA CC1(C)CN(C(=O)c2cnc(C3OCCO3)s2)[C@@H]2CCC[C@H]21 294903766 VQZMPCWLOWZXKI-GHMZBOCLSA-N 322.430 2.839 0 50 DFAA CCc1nc(C)c(CNC(=O)CC[C@@H]2CCCN(C)C2)s1 95378889 PVABEHWZTKWVIK-ZDUSSCGKSA-N 309.479 2.752 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C[C@]1(C)O 91416769 YLALMYKEZPGZFB-PXAZEXFGSA-N 322.836 2.783 0 50 DFAA COc1cccc2c1OC[C@@H](C(=O)N1Cc3ccccc3C1)C2 91434982 WSCVPPQJBHNVQD-INIZCTEOSA-N 309.365 2.789 0 50 DFAA CC1CCC2(CC1)OC[C@@H](CNc1ncnc3ncccc13)O2 182265150 KLDHYLGHSGVTOI-UIORMTCPSA-N 314.389 2.759 0 50 DFAA O=C1NC[C@H](c2nc([C@@H]3CCCS3)no2)c2ccccc21 624527935 XDMKFHMFZULTBZ-RYUDHWBXSA-N 301.371 2.513 0 50 DFAA CCCN(Cc1nnc(-c2ccccc2)o1)Cc1nccn1C 244796024 RRNFRMCDFWGFLQ-UHFFFAOYSA-N 311.389 2.882 0 50 DFAA COc1ccccc1-c1cc(CNC(=O)[C@H]2CCCCO2)on1 299785155 JMCRYKKOPPHMJU-MRXNPFEDSA-N 316.357 2.536 0 50 DFAA CC(C)(Cc1ccc(F)cc1)NC(=O)N1CCCC[C@@H]1CN 827268060 VQAOGRRGVXZJCW-OAHLLOKOSA-N 307.413 2.670 0 50 DFAA CCc1nn(C)cc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 271416586 ZZPSXIZMGUXFNQ-UHFFFAOYSA-N 311.382 2.539 0 50 DFAA Cc1ccc2c(c1C)OCC[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1875286321 OKKHJGUKNXUMQH-IPYPFGDCSA-N 317.385 2.744 0 50 DFAA C[C@H](C(=O)Nc1cccc(F)n1)n1ccc(C(F)(F)F)n1 875559054 DUBCGPCQRPCOIQ-SSDOTTSWSA-N 302.231 2.636 0 50 DFAA CNC(=O)c1ccc(NC(=O)COCc2ccccc2)c(C)c1 952979890 IRFCBKKXUCXVFC-UHFFFAOYSA-N 312.369 2.510 0 50 DFAA CCCCn1nc(-c2ccc(Cl)cc2)nc1CNC(N)=O 952861371 DSISVWBFRNDMSU-UHFFFAOYSA-N 307.785 2.567 0 50 DFAA Cn1cncc1[C@@H]1C[C@H]1NC(=O)CC(C1CCC1)C1CCC1 888100368 DZRIBENRHWBYEW-HZPDHXFCSA-N 301.434 2.999 0 50 DFAA O=C(Cc1cccc(F)c1)N[C@H]1CCCO[C@@H]1c1ccncc1 275637079 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KAFAQLVGJKQZQQ-QGZVFWFLSA-N 322.412 2.887 0 50 DFAA CCO[C@@H](CNC(=O)NCc1c(C)noc1C)c1ccccc1 193497757 WDEFUHRZTNDJQA-INIZCTEOSA-N 317.389 2.868 0 50 DFAA CC(C)n1cc(NC(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)cn1 1529172273 BJYAWFHYVKONGD-CYBMUJFWSA-N 318.421 2.584 0 50 DFAA Cc1cccnc1C(=O)N1CC[C@H](c2sccc2C)[C@@H](O)C1 210365038 NFIJHAKBDRRSTN-KBPBESRZSA-N 316.426 2.751 0 50 DFAA Cc1cccc(N2CCC(N3C[C@H]4CC[C@@H](C3)N(C)C4)CC2)c1 216912547 XTPJZHGKGRPDRI-PXNSSMCTSA-N 313.489 2.990 0 50 DFAA CS(=O)(=O)[C@@H]1CCCN(CC2(c3ccccc3)CCC2)C1 1615605451 VNBCSBKMZVNCNT-MRXNPFEDSA-N 307.459 2.617 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccc(O)cn3)cc2)c1C 1636790407 SXWZEPUVODNGMU-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA CC[C@H](C)[C@H](Nc1nncc(-c2ccccc2F)n1)C(=O)OC 12437415 IHQSWXDSDUPHAP-HZMBPMFUSA-N 318.352 2.677 0 50 DFAA Cn1ccc2ccc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc21 206912810 GGQSWVFVBVTNGD-QFBILLFUSA-N 312.413 2.946 0 50 DFAA biogenic OCC1(Cn2ccnc2-c2cccc3[nH]ccc23)CCOCC1 1857668372 URONTPKAZBMKOD-UHFFFAOYSA-N 311.385 2.821 0 50 DFAA Cc1cc2c(cc1-c1nccn1CCc1cnn(C)c1)OCO2 1857677615 JTLCHXLWYFXIPQ-UHFFFAOYSA-N 310.357 2.563 0 50 DFAA CCn1cnc(Cn2ccnc2-c2cccc(CN(C)C)c2)c1 1857739454 KNQMWNDQGYUZSA-UHFFFAOYSA-N 309.417 2.876 0 50 DFAA Cc1noc([C@H](N[C@H](C)CC2CCOCC2)C2CCOCC2)n1 328634896 ULKZCRKODBYXKW-MLGOLLRUSA-N 323.437 2.641 0 50 DFAA Cc1nc([C@H]2CCN(C(=O)c3ccc(C)c(Cl)c3F)C2)n[nH]1 334131289 UNSSFXNOMUVSQH-JTQLQIEISA-N 322.771 2.844 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccccn1 658194511 ISTQHDVUDYTMSB-OFQRWUPVSA-N 300.406 2.726 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N(CC(=O)O)c1ccccc1 263403535 HEWRBLMHRVGENU-UHFFFAOYSA-N 300.314 2.592 0 50 DFAA CCN1CC[C@@H](N(C)C(=O)c2nnc(C(C)(C)C)s2)[C@H](C)C1 390833099 CCHQQVVJIBWMRU-VXGBXAGGSA-N 324.494 2.638 0 50 DFAA C[C@H](N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)[C@H]1CCOC1 397834672 OGLUZXWIDJKFHU-IGQOVBAYSA-N 312.454 2.693 0 50 DFAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccc2ccc(Cl)cc2n1 908015671 FBDLDWBXKQIRHR-ZDUSSCGKSA-N 317.776 2.838 0 50 DFAA CCc1nc(CNC(=O)[C@]2(c3ccccc3)CCCO2)co1 821818441 GUQFRQQVFZXAGX-QGZVFWFLSA-N 300.358 2.559 0 50 DFAA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 1428595 BQMTVYXCLKUQMN-UHFFFAOYSA-N 319.308 2.548 0 50 DFAA CCOC(=O)[C@H]1C(c2ccc(OC)cc2)=NO[C@H]1c1ccco1 6667817 RTYXOYBRPGVAIO-HOCLYGCPSA-N 315.325 2.943 0 50 DFAA COc1ncccc1CN1CCc2ccccc2[C@@H]1CC(=O)O 2325773293 HMWDCKHACNYYRS-INIZCTEOSA-N 312.369 2.664 0 50 DFAA O=C(O)c1cccc2c1CN(Cc1cc(C(F)(F)F)n[nH]1)C2 2325787125 CVMNUEFTJMAKRB-UHFFFAOYSA-N 311.263 2.643 0 50 DFAA C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)c1cnn[nH]1 885248365 PENCKSUMJSPMGA-CYBMUJFWSA-N 310.810 2.757 0 50 DFAA CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCSC1=O 465630 WUXYICQFHVPMFN-NSHDSACASA-N 313.806 2.646 0 50 DFAA O=C(NCc1cccnc1)[C@H]1CC(c2ccccc2Cl)=NO1 1062027 QUEDMFGYOVVCBS-OAHLLOKOSA-N 315.760 2.544 0 50 DFAA Cc1cc(=NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)[nH]o1 2356149859 DAUZZESQGPGEBH-LLVKDONJSA-N 321.336 2.546 0 50 DFAA COc1ccc(CN2CCC[C@H](OC)C2)cc1-c1cnn(C)c1 2356165153 WBZCGLDARFOYOP-INIZCTEOSA-N 315.417 2.707 0 50 DFAA CCOC(=O)[C@H](C)Oc1ccc2c(C)c(CC)c(=O)oc2c1 3901072 FESJFDQXGDOOKS-NSHDSACASA-N 304.342 2.994 0 50 DFAA CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C 59860297 DXJJVFRKUDWIKA-UHFFFAOYSA-N 316.401 2.674 0 50 DFAA aggregator O=C(O)[C@@H]1C[C@H](OCc2ccccc2)CN1Cc1ccccc1 100445893 ZQOGQRMHCXHWHK-ROUUACIJSA-N 311.381 2.931 0 50 DFAA Cc1ccc(-c2cc(O)c3c(c2)CN(CC(=O)O)CCO3)s1 67714257 OBHRPMXIKFPEED-UHFFFAOYSA-N 319.382 2.708 0 50 DFAA COc1cccc(OC)c1-c1cccc(O[C@@H](C)C(N)=O)c1 67473323 NFEBBHKGJRBQQJ-NSHDSACASA-N 301.342 2.623 0 50 DFAA COc1ccc(CN(C(=O)c2cnn3cccnc23)C2CC2)cc1 12573256 YWQMHTRESQUDAA-UHFFFAOYSA-N 322.368 2.543 0 50 DFAA CN1CCN(C(=O)CC2(Cn3cccc3)CCCCC2)CC1 409414118 NTYCGQFXDFSGCN-UHFFFAOYSA-N 303.450 2.603 0 50 DFAA CNc1snc(C)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 125427449 IGECKOGMJHXMSZ-UHTWSYAYSA-N 321.446 2.571 0 50 DFAA C[C@](O)(CN1CCCN(c2ccccc2)CC1)C(F)(F)F 253396718 MXOMZRCYEQOOAF-AWEZNQCLSA-N 302.340 2.512 0 50 DFAA C[C@@H](CC(=O)NC[C@H](O)c1ccncc1)Cc1cccc(F)c1 121414216 BKUXSAWUABJAQD-DYVFJYSZSA-N 316.376 2.639 0 50 DFAA COc1ccc2c(c1)CCCCN2C(=O)c1ccc(C(=O)O)o1 253433095 RVJMKLCPSRNXOK-UHFFFAOYSA-N 315.325 2.970 0 50 DFAA Cn1cc(CN(C(=O)c2ccc(O)c(Cl)c2)C2CC2)cn1 67490315 DCEKOYSQHREQQL-UHFFFAOYSA-N 305.765 2.584 0 50 DFAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cc(C3CC3)no1)C2 67691636 ASYOUGGBVCRYGT-UHFFFAOYSA-N 312.373 2.697 0 50 DFAA CC[C@@H](NS(=O)(=O)c1cnn(CC)c1C)c1ccccc1 2804904 XLHRJDCYMJQNLF-CQSZACIVSA-N 307.419 2.641 0 50 DFAA COc1ccc2[nH]cc(CCN3C(=O)OC(C)(C)[C@@]3(C)O)c2c1 4343033 BORMQBLQGMJCBC-QGZVFWFLSA-N 318.373 2.658 0 50 DFAA C=CC(=O)N1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC 328596954 BUVVOVYXARBYAC-WMLDXEAASA-N 301.434 2.635 0 50 DFAA Cc1ccc2c(CC(=O)NCCCn3ccccc3=O)coc2c1 77731009 WUWRMVLNIXZFPU-UHFFFAOYSA-N 324.380 2.652 0 50 DFAA Cc1ccncc1CN[C@H]1CCO[C@@H]1c1ccnn1C(C)C 284756370 OJBQAOSCFQNKTB-RDJZCZTQSA-N 300.406 2.787 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc21 177481691 AOBXRZYARPWUHA-CQSZACIVSA-N 306.321 2.997 0 50 DFAA COc1ccc(F)c(F)c1CN1CCC[C@H](N2CCCC2=O)C1 215121313 GAYDOIDWEGVUGE-LBPRGKRZSA-N 324.371 2.560 0 50 DFAA COCc1cc(CN(C)[C@H](C)c2ccncn2)ccc1OC 215924830 WNCSGZMWMKIZOF-CYBMUJFWSA-N 301.390 2.825 0 50 DFAA Cc1ccccc1CN1CCN(C(=O)CCc2ccncc2)CC1 77439910 DXQUBTJAAAIHLC-UHFFFAOYSA-N 323.440 2.667 0 50 DFAA O=C(c1csc(-c2cnccn2)n1)N1CCC[C@H]1C1CC1 377534431 SSGMNTCVZICIAI-ZDUSSCGKSA-N 300.387 2.615 0 50 DFAA CCOCCC(=O)N1CCCN(CCCc2ccccc2)CC1 77387123 DOVXEAHYGGZDQB-UHFFFAOYSA-N 318.461 2.580 0 50 DFAA Cc1cccnc1OC1CCN(Cc2ccc(CO)cc2)CC1 289348000 GTWYHVAVZQNTOE-UHFFFAOYSA-N 312.413 2.926 0 50 DFAA O[C@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 225343014 KNENPSDASRINBO-RHSMWYFYSA-N 315.392 2.688 0 50 DFAA C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cc1ccsc1 241897166 TWEINADSCKEHLJ-AAEUAGOBSA-N 324.446 2.805 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 136310850 XOUZCEVFACJLOS-LWWSYDQCSA-N 303.358 2.689 0 50 DFAA 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CC(C)(C)OC(=O)c1ccnc(N2C[C@H]3COC[C@@]3(C)C2)c1 894564100 OCVCRASLDZFXCY-SUMWQHHRSA-N 304.390 2.510 0 50 DFAA Cc1ccc(F)c(OS(=O)(=O)CC[C@H]2CCCOC2)c1 1775989256 IOAGCAKGHFFTAB-GFCCVEGCSA-N 302.367 2.659 0 50 DFAA Cc1cscc1C(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 275222420 DDIIYENNTNXSOS-ZFWWWQNUSA-N 319.430 2.667 0 50 DFAA O=C(Cc1cc2ccccc2s1)OCCN1CCCC1=O 585087067 QXDUYTZPCPUESZ-UHFFFAOYSA-N 303.383 2.609 0 50 DFAA CNC(=O)CCCC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32 170602342 WUQLEFWSICQIBX-UKRRQHHQSA-N 300.402 2.584 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c(C)n1 682362548 JCEJLSZFWXQOON-FVCCEPFGSA-N 314.307 2.993 0 50 DFAA Oc1nc(Cc2c(Cl)cccc2Cl)nc2c1CCNC2 77472219 BIRPWVCAIHTQHB-UHFFFAOYSA-N 310.184 2.726 0 50 DFAA CCCO[C@H]1CCCN(C(=O)NC[C@H]2CCC(C)(C)O2)CC1 188191288 SZBPVVPTCKEFGF-LSDHHAIUSA-N 312.454 2.935 0 50 DFAA O=C(CCc1ncccn1)Nc1ccc(OC2CCCC2)nc1 408516945 QBYFLCAONPAOCQ-UHFFFAOYSA-N 312.373 2.764 0 50 DFAA Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@H]([C@@H]2CCNC2)C1 638263963 XFKLVYUCWRSQQO-CVEARBPZSA-N 313.445 2.729 0 50 DFAA CSC1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 190458777 GIHBCIZZRHVNSN-OAHLLOKOSA-N 323.433 2.993 0 50 DFAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2[nH]ncc2C1 195531042 UEOOQWVJLLEVDC-XPKDYRNWSA-N 305.422 2.668 0 50 DFAA C[C@H](NC(=O)[C@H]1CCCN1)c1ccc(F)c(C(F)(F)F)c1 195554825 DHCJDRVCNVYAHP-QPUJVOFHSA-N 304.287 2.774 0 50 DFAA CSc1ncc(C(=O)O)c(N[C@@H](C)c2nc(C(C)C)no2)n1 1506405034 HOXPWASTZLMFRB-ZETCQYMHSA-N 323.378 2.576 0 50 DFAA O=C(Nc1cnn2c1NCCC2)c1cc(-c2ccccc2)no1 1506398539 DHFMAVDEYHHDIO-UHFFFAOYSA-N 309.329 2.606 0 50 DFAA COCCC[C@@H]1CCCCN1CC(=O)NCc1ccccc1C 1529118217 GNJCWEVGWKIDKX-SFHVURJKSA-N 318.461 2.892 0 50 DFAA CC(C)[C@H]1CN(C(=O)N2CCOCC2)C[C@@H](c2ccccc2)O1 1529101560 HUQQIDPNURZGGM-SJORKVTESA-N 318.417 2.537 0 50 DFAA CC(C)c1nc(CCNS(=O)(=O)[C@H]2CC[C@@H](C)C2)cs1 1615585822 MAHGYSZLNTUIIV-YPMHNXCESA-N 316.492 2.917 0 50 DFAA CC(C)(NC(=O)c1nccc2ccsc12)[C@@H](O)C(F)(F)F 1615547609 KBMSENHILSYBCN-LLVKDONJSA-N 318.320 2.728 0 50 DFAA Cc1ccc(Nc2nc3nonc3n3c(C)nnc23)cc1Cl 5417393 JKVREMJJAFYTGE-UHFFFAOYSA-N 315.724 2.674 0 50 DFAA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 5498725 CJJCVYJXYUCHFH-UHFFFAOYSA-N 313.382 2.772 0 50 DFAA Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 16579581 DYEDGVXZNFKBHJ-UHFFFAOYSA-N 319.382 2.708 0 50 DFAA CCC(CC)NC(=O)C1CCN(C(=O)c2cccs2)CC1 16650798 CBMKGANMSILMHN-UHFFFAOYSA-N 308.447 2.905 0 50 DFAA Cc1nc[nH]c1CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857701293 RQQMVOPNKLBZQJ-UHFFFAOYSA-N 321.428 2.719 0 50 DFAA O=C(c1cc(-c2cccc3nc(O)[nH]c23)c[nH]1)N1CCCCC1 1857725812 OALAKFGHSNXYHZ-UHFFFAOYSA-N 310.357 2.890 0 50 DFAA OC[C@@H]1OCCN(Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 1875251219 ZEVBHDHRAZQZDW-ROUUACIJSA-N 319.351 2.899 0 50 DFAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@H]2C1 239229075 UPYLROKHLZJDBD-MIMYLULJSA-N 321.760 2.964 0 50 DFAA COc1ccc([C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)O)cc1 346005853 FUWPYAAXWJGWHH-AWEZNQCLSA-N 321.279 2.529 0 50 DFAA CCC[C@H](C)c1cc(NC(=O)c2occ3c2CCOC3)n[nH]1 376735521 PNLWBOCDBUNUMO-JTQLQIEISA-N 303.362 3.231 0 50 DFAA O[C@@H](CNCc1ccnc(N2CCCC2)c1)c1ccc(F)cc1 818946114 DZFTTZKZVIQBCF-KRWDZBQOSA-N 315.392 2.644 0 50 DFAA CC[C@H](NC[C@@]1(C)CNCCOC1)c1ccc2c(c1)CCCO2 2325813983 AYRJZKUWXMWNKV-PKOBYXMFSA-N 318.461 2.678 0 50 DFAA CC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(c2cccnc2)C1 77918 REKCEODWTIZSJZ-MRXNPFEDSA-N 315.760 2.802 0 50 DFAA COc1ccc(Cl)cc1S(=O)(=O)Nc1ncccc1C 367645 MWBZDGTYGTYXHQ-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA COc1ccc(C2(C(=O)N3CCCCC3)CCOCC2)cc1 376838 DNMIDOYJVROIRE-UHFFFAOYSA-N 303.402 2.756 0 50 DFAA biogenic CC(C)c1nnc(SCC(=O)Nc2ccccc2F)n1C 413033 MBUJJKMQBMOKLW-UHFFFAOYSA-N 308.382 2.808 0 50 DFAA CCC(=O)Nc1nc2ccccc2n1CCN1CCCCC1 438116 KBDDYBSKBKFSKS-UHFFFAOYSA-N 300.406 2.871 0 50 DFAA CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N 2019492 CMHHMUWAYWTMGS-UHFFFAOYSA-N 308.422 2.946 0 50 DFAA biogenic,world CC(C)C(=O)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1 4165220 UBGGLKCTIWPRHV-CYBMUJFWSA-N 313.806 2.640 0 50 DFAA COc1ccc(C(=O)Nc2ccc(OC(C)=O)cc2)cc1OC 4841004 WCSVATICDADKIF-UHFFFAOYSA-N 315.325 2.881 0 50 DFAA S=c1[nH]nc(Cn2nnc3ccccc32)n1-c1ccccc1 6534215 ZWZYEESDHOONDV-UHFFFAOYSA-N 308.370 2.723 0 50 DFAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 6697624 MWHZJHXCCOXOFI-TZMCWYRMSA-N 300.402 2.611 0 50 DFAA C[C@H](NC(=O)COc1ccc(F)cc1Cl)[C@H]1CCCO1 6741321 BGESBDLSAPLNGY-JOYOIKCWSA-N 301.745 2.542 0 50 DFAA Cc1cccn2c(=O)c(NC(=O)c3ccccc3Cl)cnc12 9029299 DKIPGWHAODCQQC-UHFFFAOYSA-N 313.744 2.909 0 50 DFAA Cc1cccc(N2C[C@H](C(=O)N3CCC[C@H](C)C3)CC2=O)c1 9197530 BIQUTQHKSVCILR-LSDHHAIUSA-N 300.402 2.606 0 50 DFAA C(=C/c1ccco1)\CN(CCN1CCOCC1)Cc1ccco1 55326458 MGWUKNUSYMIAKG-DAFODLJHSA-N 316.401 2.720 0 50 DFAA CC(=O)NC1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 136373138 NGLQADGQCZRSLG-UHFFFAOYSA-N 302.418 2.501 0 50 DFAA COc1cc(NC(=O)c2ncc[nH]2)ccc1NC(=O)CC(C)C 65395733 YCXUGGZXBRJEOE-UHFFFAOYSA-N 316.361 2.655 0 50 DFAA Brc1cccc(OCCCCN2CCOCC2)c1 20118346 ANXZMDGGHGOKJH-UHFFFAOYSA-N 314.223 2.940 0 50 DFAA CCOc1cc2c(cc1CN1CC[C@@H](CNC(C)=O)C1)CCC2 67954382 PMLVTZHUGRUHSF-HNNXBMFYSA-N 316.445 2.532 0 50 DFAA C[C@H](C(=O)N1CCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229252799 VYNQPOOEZTYHKE-CZUORRHYSA-N 322.836 2.724 0 50 DFAA CCc1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1F 120050621 UMQYBKLXIRWEQO-NSHDSACASA-N 307.369 2.507 0 50 DFAA CC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccnn1C 67803804 YZASGLMJPKLHNT-CYBMUJFWSA-N 310.357 2.956 0 50 DFAA CC(C)Cc1ncc2c(n1)CN(C(=O)CCc1cccnc1)C2 67696120 CIYZTKRAAXMXNC-UHFFFAOYSA-N 310.401 2.545 0 50 DFAA Cc1cc(F)ccc1CCNC(=O)[C@H]1CCC[C@H](C(=O)O)C1 121268314 KKDLMEZCZYVIMY-KBPBESRZSA-N 307.365 2.684 0 50 DFAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](c2ccccc2)C1 121605443 MOJUYSOUVUJVLG-MRXNPFEDSA-N 309.365 2.974 0 50 DFAA CC(=O)N(C[C@@H]1CCCN1Cc1cnc(C2CC2)s1)C1CC1 328655364 YGBGRDGWDVGPRC-HNNXBMFYSA-N 319.474 2.996 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 282606243 RDVNHASZNTWZPM-GOEBONIOSA-N 317.364 2.551 0 50 DFAA Cc1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)n(C)n1 354942204 LTTHHHZBOKYBQD-UHFFFAOYSA-N 322.368 2.955 0 50 DFAA CN1Cc2cc(-c3csc(NC4CC4)n3)ccc2NC1=O 366007256 HZCTXQVLXRFFLA-UHFFFAOYSA-N 300.387 3.362 0 50 DFAA CCn1ncc(Cl)c1C(=O)N[C@H](Cn1cccn1)C(C)(C)C 2781246 SKNWLLATCPRIGY-GFCCVEGCSA-N 323.828 2.598 0 50 DFAA Cc1ncsc1CCN(C)C(=O)c1nc2ccc(F)cc2[nH]1 215479744 PNVNENUMNGDFSU-UHFFFAOYSA-N 318.377 2.782 0 50 DFAA CSc1ccccc1-c1nccc(N2CCC[C@H](O)C2)n1 215274605 LFAPXLLNRUQZFW-LBPRGKRZSA-N 301.415 2.827 0 50 DFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCCc1ccc(Cl)cc1 6550738 PYMWQNDCTLNBSJ-KGLIPLIRSA-N 307.777 2.666 0 50 DFAA CN(C(=O)NCCSCc1ccccc1)C1CCOCC1 74833880 MIXNGHNTSCZULT-UHFFFAOYSA-N 308.447 2.740 0 50 DFAA O=C(Cc1coc(-c2cccs2)n1)N1CC[C@]2(CCOC2)C1 153262072 JZWOLRSGTUTEKT-INIZCTEOSA-N 318.398 2.585 0 50 DFAA CN(CCn1cccn1)Cc1nn(C)c2cccc(Cl)c12 215579569 BROSOLVGIKZRBD-UHFFFAOYSA-N 303.797 2.555 0 50 DFAA c1ccc(COc2cncc(CN3CCn4ccnc4C3)c2)cc1 487909579 KOEZRBUEVFZELO-UHFFFAOYSA-N 320.396 2.873 0 50 DFAA CCc1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)ccc1F 367024576 ZUEIAUKEKKHSHD-OAHLLOKOSA-N 316.380 2.647 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCCO[C@H]1CCOC1 246693947 YUQSLYJYTOKINI-FXUDXRNXSA-N 310.438 2.545 0 50 DFAA O=C(COCc1ccccc1)N1CCCN(C2CCCC2)CC1 77519889 XSAKVKPEXFPUFJ-UHFFFAOYSA-N 316.445 2.680 0 50 DFAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccccc1Br 241383161 MSXRNEQVZUVWTQ-CDGCEXEKSA-N 324.218 2.846 0 50 DFAA O=C(CCc1ccc(F)cc1F)N1CCC[C@]2(CCOC2)C1 456730357 QCMUJLDHOADGPT-KRWDZBQOSA-N 309.356 2.927 0 50 DFAA N[C@@H]1CCCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 82091334 AFVMCVRNAKIXAN-CQSZACIVSA-N 315.442 2.687 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)NCc1ccccc1F)C2 95390234 HSOGHLQQEYUBHW-GDBMZVCRSA-N 319.424 2.842 0 50 DFAA Cc1cnccc1CN(C)C(=O)[C@H]1CCOc2ccccc2C1 95505780 GBAXXSKGWMTRPS-INIZCTEOSA-N 310.397 2.990 0 50 DFAA Cc1ccc2c(C)c(C(=O)NC[C@@H](O)c3ccncc3)oc2c1 91908477 LKHGRSFNXASVCR-OAHLLOKOSA-N 310.353 2.908 0 50 DFAA COc1cccc(-c2cc(C(=O)N3CCn4cccc4C3)[nH]n2)c1 91595553 ARARAJCLGNMJNS-UHFFFAOYSA-N 322.368 2.543 0 50 DFAA Cc1ccccc1[C@H](C(=O)N(C)CC1(CO)CCCC1)N(C)C 95357764 FLFXHANNXGRJES-QGZVFWFLSA-N 318.461 2.609 0 50 DFAA Cc1cc(C)c2nc(CN3CCC[C@H]3CCO)cc(O)c2c1 91973724 DPZZNCHQMSDXRC-HNNXBMFYSA-N 300.402 2.904 0 50 DFAA C[C@]12CC[C@@H]3[C@@H]([C@@H]1CCC2=O)[C@H](O)C[C@H]1C[C@H](O)CC[C@@]13C 257346224 VFPMCLQMAUVEHD-DRVBRJCXSA-N 306.446 2.930 0 50 DFAA CC(C)n1cnnc1CN(C)Cc1cc(-c2cccnc2)no1 252481468 CMRHFIWERQKYFS-UHFFFAOYSA-N 312.377 2.541 0 50 DFAA CC(C)C/C=C(\CN1C[C@H](O)C[C@H]1C(=O)O)c1ccccc1 534642970 ZGVIAENEACMREC-PETGEZQVSA-N 303.402 2.636 0 50 DFAA Cc1nc(N2CCC(C(=O)O)CC2)nc2cc3c(cc12)CCC3 299794895 KDVGBQDIXKASKT-UHFFFAOYSA-N 311.385 2.728 0 50 DFAA O=C(Cc1ccc2ncccc2c1)N1CCC(NC2CCC2)CC1 1875274781 ZTTYLSMCBOFWBY-UHFFFAOYSA-N 323.440 2.910 0 50 DFAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(F)cc2)C1 1875360884 LDGZWOPGXHKXRA-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA CNC(=O)[C@@H]1CCCCN1c1ccc(C(F)(F)F)c(Cl)n1 952992328 JWGJAUSTSKUNLO-VIFPVBQESA-N 321.730 2.859 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)Nc2ccsc2)cn1 276059416 TWBODLSMRBMKSB-QWHCGFSZSA-N 306.391 2.616 0 50 DFAA Cn1ccc(N2CCC[C@@H](N[C@@H](c3ccccc3)C3CC3)C2=O)n1 170065239 YYOOTZSVSWAKTJ-AEFFLSMTSA-N 324.428 2.656 0 50 DFAA c1coc([C@@H]2CCCN2c2cc(N3CCSCC3)ncn2)c1 302895932 OXZNKUNBWOUDKN-ZDUSSCGKSA-N 316.430 2.964 0 50 DFAA C[C@H](Sc1nnc(-c2cccnc2)n1C)C1CCOCC1 408522811 MAXSWMHVQPIHLR-NSHDSACASA-N 304.419 2.784 0 50 DFAA COCCc1cc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n(C)n1 221781639 HRBWBQLGJAQUJQ-QEJZJMRPSA-N 320.437 2.651 0 50 DFAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccccc1Br 222624864 PUDLSXAQXLINRP-KGLIPLIRSA-N 323.234 2.806 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(F)c(F)cc2F)C1 643772718 PWRVGCIGUSSPKR-YGRLFVJLSA-N 311.307 2.789 0 50 DFAA Cc1ccc([C@@H](C)C(=O)N2CCN(c3cccc(O)c3)CC2)o1 770755155 YYBJCBGEOATXCM-CQSZACIVSA-N 314.385 2.746 0 50 DFAA Cc1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)c(N(C)C)n1 773475646 PTUKEPDMLUSSDW-JTQLQIEISA-N 315.421 2.928 0 50 DFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cc2ccccc2o1 1529126065 UDIMYCYQYAKQDN-HZPDHXFCSA-N 322.364 2.815 0 50 DFAA CO[C@H]1CN(C(=O)c2sccc2C)C[C@H]1Cc1cc(C)no1 1529186274 BEFKKUJAQZOCEY-OCCSQVGLSA-N 320.414 2.683 0 50 DFAA Oc1cccc(N2CCN(c3c(F)cncc3Cl)CC2)c1 1615615078 SEQRZJOYNNAHKU-UHFFFAOYSA-N 307.756 2.906 0 50 DFAA O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 14985784 YVONITYANVDOLC-RZXPCSSPSA-N 317.414 2.590 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)NCCC2=CCCCC2)[C@H]2C=C[C@H]1CC2 100799937 DBEYVSDJDCLIOV-VGWMRTNUSA-N 303.402 2.906 0 50 DFAA Cc1nc(-c2cc(C(=O)N3CC[C@](C)(C(=O)O)C3)co2)cs1 237789866 HMNLLIZGQXGUNF-HNNXBMFYSA-N 320.370 2.648 0 50 DFAA C[C@H]1CN(C(=O)c2cc3n(n2)CCCC3)Cc2ccccc2O1 452128502 UQHZFVFQHVNDAC-ZDUSSCGKSA-N 311.385 2.643 0 50 DFAA N[C@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C1 132528939 SSKXBOLYLQWMBG-INIZCTEOSA-N 310.397 2.682 0 50 DFAA CC1(C)C[C@@H]1NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 359256522 TUJGLRLZUQKCLJ-OLZOCXBDSA-N 306.793 2.608 0 50 DFAA O=C(O)CCCNC(=O)Nc1cccc(SC(F)F)c1 263462043 DYIWLNNPCHTYQK-UHFFFAOYSA-N 304.318 2.988 0 50 DFAA Cc1c(C(F)(F)F)n[nH]c1CN1C[C@@H]2CCCC[C@]2(CO)C1 2325779627 STVALBWACBZWCA-SMDDNHRTSA-N 317.355 2.721 0 50 DFAA O=C(O)CCN(Cc1cccnc1)C(=O)N1CCCCCCC1 2325792257 QDBVPWAHDIWAKK-UHFFFAOYSA-N 319.405 2.744 0 50 DFAA COc1ccc(C(=O)N(C)C)cc1NCc1ccnc2[nH]ccc12 2325854746 SHCCQCPXBAGDTD-UHFFFAOYSA-N 324.384 2.885 0 50 DFAA COC(=O)c1cc(NC(=O)c2cccs2)cc(C(=O)OC)c1 101676 COUZTRXDRQUMQY-UHFFFAOYSA-N 319.338 2.574 0 50 DFAA c1ccc2c(c1)CCO[C@H]2CNC[C@H]1COc2ccccc2O1 186654 DEALWTNJDFBZRM-KXBFYZLASA-N 311.381 2.730 0 50 DFAA COC(=O)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1 219788 NPOUGLLHLBGNBP-UHFFFAOYSA-N 312.536 2.838 0 50 DFAA Cc1cc(C)c(S(=O)(=O)n2nnc3ccccc32)cc1C 309391 FIOUSFCLIMXNEV-UHFFFAOYSA-N 301.371 2.594 0 50 DFAA COC(=O)COc1ccc(NC(=O)c2ccccc2F)cc1 468524 HJZFUBCJJJQQQM-UHFFFAOYSA-N 303.289 2.630 0 50 DFAA CCOP(=O)(OCC)[C@@H](O)c1cc(OC)ccc1OC 1794973 ICRXOSKWUIILRC-CYBMUJFWSA-N 304.279 2.961 0 50 DFAA OCCNCCOc1ccc2ccccc2c1Br 2510388 QYNCHTUAIQQTHU-UHFFFAOYSA-N 310.191 2.563 0 50 DFAA CCOC(=O)C(CCCOc1ccc(C)cc1)C(=O)OCC 3106070 RFOBXGHJUYJUKE-UHFFFAOYSA-N 308.374 2.896 0 50 DFAA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2C)cc1 4719353 QMIQRGPBAKQICO-UHFFFAOYSA-N 319.382 2.583 0 50 DFAA Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1 4843208 FZBULSKJNODMQY-UHFFFAOYSA-N 307.346 2.547 0 50 DFAA CCc1ccc(N2C[C@@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 6703593 PAUIYBGOVYSYGP-INIZCTEOSA-N 314.429 2.860 0 50 DFAA COc1cccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c1 8247197 JBJXSQTWFQHFMJ-CYBMUJFWSA-N 310.353 2.687 0 50 DFAA CC(C)C[C@H](CN)NC(=O)NC[C@H]1CSc2ccccc21 418270292 ZRQDYTNLQLTDDR-QWHCGFSZSA-N 307.463 2.549 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 101893672 HATHUEWNBMABDW-KCPJHIHWSA-N 315.369 2.789 0 50 DFAA CN(C(=O)c1cc(Cl)cn1C)[C@H]1CCO[C@@H]1c1cccnc1 346204966 VBOHSSCUWMIJPG-DZGCQCFKSA-N 319.792 2.676 0 50 DFAA Cn1cc(CCC(=O)N[C@@H](c2ccccc2)c2ccco2)cn1 54820270 LVMPEJFCEUMBSR-SFHVURJKSA-N 309.369 2.852 0 50 DFAA CCCc1nc(C)c(C(=O)N[C@@H]2COc3ccc(F)cc32)o1 346901352 WCBAPZIYZNVETD-GFCCVEGCSA-N 304.321 2.938 0 50 DFAA CCn1ncnc1CN(Cc1ccsc1)C[C@H]1CCCO1 55414646 ZAUMZZKSNHLFKG-CQSZACIVSA-N 306.435 2.541 0 50 DFAA COc1ccc([C@H](C)NC(=O)c2c(C)cc(=O)oc2C)cc1F 67772649 NDUBATIWHDDZIO-JTQLQIEISA-N 319.332 2.895 0 50 DFAA CCOC(=O)c1cc(-c2ccccc2)oc1CN1CCOCC1 22147545 VUWCKNKCBMDBQF-UHFFFAOYSA-N 315.369 2.956 0 50 DFAA Cc1cc(S(=O)(=O)N2CC3(CCC3(F)F)C2)sc1C 352513641 AZTNSMNJSPUUIC-UHFFFAOYSA-N 307.387 2.785 0 50 DFAA Cc1ccc2c(c1)c(CNC(=O)c1ccc3c(c1)OCO3)nn2C 67881081 ONORZQAOXAVNNJ-UHFFFAOYSA-N 323.352 2.540 0 50 DFAA C[C@H](COc1ccccc1)NCCc1nc2ccccc2c(=O)[nH]1 67868886 YPFVJWYDJVDJLR-CQSZACIVSA-N 323.396 2.523 0 50 DFAA COc1ccc([C@@H]2CC(=O)Nc3[nH]nc(C(C)(C)C)c32)cn1 65509021 MQTHRKOMVDKAER-JTQLQIEISA-N 300.362 2.585 0 50 DFAA Cc1ccccc1[C@]1(O)CCN(Cc2ccccc2C(=O)O)C1 67788140 KZOAOVYUGJWKLJ-IBGZPJMESA-N 311.381 2.787 0 50 DFAA Cc1noc([C@H](C)NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)n1 252513434 ZXOFTHLHYXNDAN-CIUAOHQWSA-N 301.346 2.985 0 50 DFAA C/C(=C\C(=O)N[C@H]1CCN2CCCC[C@@H]12)c1ccc(F)cc1 229781986 SPQCDDPPVFCYBG-CPQFKCLQSA-N 302.393 2.972 0 50 DFAA O=C1C[C@@H](c2cc(CN3CCCC3)cs2)c2c[nH]nc2N1 67920931 VMFOXAYWEPSPBO-LLVKDONJSA-N 302.403 2.541 0 50 DFAA COc1ccc(F)c(CN2CCC(=O)N(CC(C)C)CC2)c1 64058075 RAJGERVRLNSMPE-UHFFFAOYSA-N 308.397 2.525 0 50 DFAA COc1ccccc1C[C@H](C)CC(=O)N1CC[C@](C)(C(=O)O)C1 237248721 KNXFQEGNBWAGKK-UGSOOPFHSA-N 319.401 2.587 0 50 DFAA O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 170624098 QOVVJJKOVRXEPM-YTZNLTFSSA-N 315.413 2.594 0 50 DFAA O=S(=O)(NCC1(c2ccccn2)CCC1)C1CCCCC1 329094832 XSENKXJBTWUGQH-UHFFFAOYSA-N 308.447 2.755 0 50 DFAA O=c1cc(C2CCC2)ncn1CCN1CCCc2ccccc21 123380864 ITOSAORVGBGODR-UHFFFAOYSA-N 309.413 2.964 0 50 DFAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc2cc[nH]c2c1 123361861 CBQNONCNEPYESJ-WMLDXEAASA-N 316.426 2.952 0 50 DFAA Cc1nc2cc(F)ccc2cc1C(=O)N1C[C@@H](C)N[C@H](C)C1 153632004 BYNBFGQNAIDCLC-GHMZBOCLSA-N 301.365 2.505 0 50 DFAA CN(Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CCCO1 128015455 CVPGLAXLMPSAKY-LBPRGKRZSA-N 307.344 2.966 0 50 DFAA c1cnc(N2CCC[C@@H](Nc3ncnc4c3CCCCC4)C2)nc1 333499294 VYUDMJGXCCVEIC-CQSZACIVSA-N 324.432 2.616 0 50 DFAA CSc1ccccc1-c1nccc(N2CCC[C@@H](O)C2)n1 215274647 LFAPXLLNRUQZFW-GFCCVEGCSA-N 301.415 2.827 0 50 DFAA COCc1cccc(C(=O)NCc2c(F)ccc(F)c2F)n1 215559167 QAUOCDZZBFEVOC-UHFFFAOYSA-N 310.275 2.575 0 50 DFAA Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c(C)n1 156219172 QLLWNMMSTQICQA-BXUZGUMPSA-N 317.433 2.968 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)[C@@H](N)Cc3ccccc3)C2)cc1 237292319 QCPLZNASXIPNHX-MJGOQNOKSA-N 324.424 2.581 0 50 DFAA C[C@H](CCC(C)(C)C)Nc1cnn(CCN2CCOCC2)c1 342694275 CYOVOPJNZYIRAA-OAHLLOKOSA-N 308.470 2.842 0 50 DFAA CCc1cc(NCc2ccc3nsnc3c2)n2nccc2n1 72476799 AIQPNDYZVTXBOU-UHFFFAOYSA-N 310.386 2.909 0 50 DFAA CCCO[C@H]1CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 219701031 ZVPKKQKNTWISIA-KRWDZBQOSA-N 322.424 2.675 0 50 DFAA Cc1cc(C)n(CCN(C)c2cc(C(C)C)nc3ccnn23)n1 72154711 KHZFAKGXPXLDFT-UHFFFAOYSA-N 312.421 2.802 0 50 DFAA COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccco2)CC3)c1 48071953 JUSGQASZBPENGV-UHFFFAOYSA-N 323.352 2.877 0 50 DFAA COCCN1CCN(CCn2ccc3cc(Cl)ccc32)CC1 289897010 MWBKCLLLTUPJFL-UHFFFAOYSA-N 321.852 2.559 0 50 DFAA CCc1nc(C2(NC(=O)CCc3nccs3)CCCC2)no1 267483671 VHBAZYAZSFVMNJ-UHFFFAOYSA-N 320.418 2.607 0 50 DFAA CN(C)c1ccc(CCNC(=O)[C@H]2CCOC(C)(C)C2)cc1 97819601 XDDFUNXUJYEHIP-HNNXBMFYSA-N 304.434 2.617 0 50 DFAA O[C@H]1C[C@@H](c2cc(NCCCn3ncc4ccccc43)ncn2)C1 244773993 PKIBLTREHZFIAC-GASCZTMLSA-N 323.400 2.567 0 50 DFAA O=C(NCCc1c(F)cc(O)cc1F)[C@@H]1C[C@H]1c1cccnc1 886268202 HFTKBEBTCKJBQK-UONOGXRCSA-N 318.323 2.528 0 50 DFAA O=S(=O)(C[C@@H]1CCCCO1)NCCC1=CCCCCC1 186031255 YUTJKWDXFKOLRD-HNNXBMFYSA-N 301.452 2.756 0 50 DFAA CS(=O)(=O)[C@H]1CCC[C@H](N=c2c(Cl)c[nH]cc2Cl)C1 1776006787 VQCUCSGDRZKWOS-IUCAKERBSA-N 323.245 2.578 0 50 DFAA Cc1ccc(F)c(CC(=O)N[C@H](c2nc(C)no2)C(C)C)c1 1463517261 VIEFKSMOIOHPGA-HNNXBMFYSA-N 305.353 2.882 0 50 DFAA C[C@H]1CN(CCC(=O)NC2CCCCC2)CC[C@]1(O)C1CCC1 1565527633 KKOJKZUCGQZDQM-HNAYVOBHSA-N 322.493 2.698 0 50 DFAA C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cc(O)nc(C2CC2)n1 1363361044 VDBHYLNJIMABNR-DGCLKSJQSA-N 303.406 2.892 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 170067768 BXVMHQHVNDAQRN-MNOVXSKESA-N 305.717 2.917 0 50 DFAA O=C(NCCn1c(S)nnc1C1CC1)C1CCCCCCC1 170644376 ARHAEPBQYPLPJD-UHFFFAOYSA-N 322.478 2.921 0 50 DFAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1C[C@@H]2CCC[C@H](C1)C2O 110603524 UPCNNKMGZSMZQR-IFAGMMOSSA-N 303.377 2.549 0 50 DFAA C[C@@H](NC(=O)CCc1cccc(OC(F)F)c1)c1cnccn1 644732562 ILJUWEMJWVTNIU-LLVKDONJSA-N 321.327 2.888 0 50 DFAA CCc1nnc(N[C@H](CCO)c2ccc(OC)cc2)nc1CC 192139265 QVYOBMSUFIKMTA-MRXNPFEDSA-N 316.405 2.541 0 50 DFAA Cc1ccccc1C[C@@H](C)NCc1nc([C@@H]2CCCO2)n[nH]1 655798997 ZJFDTFCSHBCNSP-HIFRSBDPSA-N 300.406 2.685 0 50 DFAA COc1cc(/C=C/C(=O)NC2CCCC2)cc(OC)c1OC 339800 VVLZAHNQDHUKPT-CMDGGOBGSA-N 305.374 2.784 0 50 DFAA CC1=CC[C@H]2CN(C(=O)c3cccc(S(C)(=O)=O)c3)C[C@H]2C1 214900856 MCIUNIOAACLMIE-LSDHHAIUSA-N 319.426 2.518 0 50 DFAA CC(=O)c1cnc(N(C)Cc2n[nH]c3c2CCCCC3)nc1C 1704330917 IDTPIUOACWRLMO-UHFFFAOYSA-N 313.405 2.616 0 50 DFAA CN(C)[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1 1772702025 OJFYCQUMMJPLIH-ZDUSSCGKSA-N 315.373 2.570 0 50 DFAA OCCN(Cc1ccc(CC(F)(F)F)cc1)Cc1ncc[nH]1 1772702616 ULXDYRATQRNRHJ-UHFFFAOYSA-N 313.323 2.509 0 50 DFAA COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)C(=O)C(C)C 14500127 VLHOVPZUSXEINR-KRWDZBQOSA-N 318.325 2.631 0 50 DFAA biogenic,in-vitro C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(N)=O)c1 14557884 KSDJZCRFUCOXMB-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA CCS(=O)(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 14981388 CELOKLXXUYGZQE-LBPRGKRZSA-N 317.401 2.959 0 50 DFAA Cc1[nH]c2c(C)cccc2c(=O)c1CN1C[C@@H](C)O[C@H](C)C1 19791807 XLGAETQZHZJVIJ-CHWSQXEVSA-N 300.402 2.754 0 50 DFAA OCCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816852 OPYYUOMMCPNTJO-UHFFFAOYSA-N 318.492 2.539 0 50 DFAA CNC(=O)c1cccc(CCC(=O)N2[C@H](C)CCC2(C)C)c1 411085108 KCLVNSBRYYKWOW-CYBMUJFWSA-N 302.418 2.768 0 50 DFAA O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1 2163682 VAXBLYWAVAIJJJ-UHFFFAOYSA-N 302.282 2.541 0 50 DFAA in-vitro CC(C)[C@H](NCc1cnn(-c2ccc(F)cc2)c1)c1ncon1 328595077 KCSFSEIYGTXIHI-HNNXBMFYSA-N 315.352 2.881 0 50 DFAA CC(C)=CCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccoc1C)C2 248272675 QQYUXTHUAOURTN-CABCVRRESA-N 316.401 2.617 0 50 DFAA O=C(NCCc1c[nH]c2ccccc12)c1cccc2c1CCNC2 392507444 JAFYVRHFNMXKJR-UHFFFAOYSA-N 319.408 2.786 0 50 DFAA CO[C@H]1CCCN(Cc2ccc(O[C@@H](C)C(=O)O)cc2)CC1 902416187 DLFFFAGSPINTNU-ZFWWWQNUSA-N 307.390 2.539 0 50 DFAA O=C(Nc1ccn2nccc2n1)c1oc(C2CC2)nc1C(F)F 1121128494 PCJOSLFXNGWRNN-UHFFFAOYSA-N 319.271 2.785 0 50 DFAA Cn1ccc(C(=O)N[C@H]2[C@@H]3CN(CCCC4CCCC4)C[C@@H]32)c1 958570697 XTMKQVDCEGDKMR-PIIMJCKOSA-N 315.461 2.656 0 50 DFAA CC1=C(Br)C(Br)=C(C)S1(=O)=O 334124 CQKFFLZFTZHYDJ-UHFFFAOYSA-N 301.987 2.668 0 50 DFAA Cc1cc2n(n1)CCN(C(=O)[C@H]1CC(C)(C)[C@@H]1C(F)(F)F)C2 2325774488 MRRQQTSWGVASGX-NWDGAFQWSA-N 315.339 2.758 0 50 DFAA CC12CCC(CNCc3cc4c(O)nccc4o3)(CC1)OC2 2325777625 PEGWJOUJZYDTLA-UHFFFAOYSA-N 302.374 2.972 0 50 DFAA C[C@@H]1CN(C(=O)N2C[C@H]3CC[C@@](C)(C2)C3(C)C)C[C@@H](C)C1N 2325778383 WOBXMQQWCMAOBF-MMQJMDILSA-N 307.482 2.780 0 50 DFAA Oc1cc2c(cc1F)CCN(Cc1cnn([C@H]3CC3(F)F)c1)C2 2325779569 ORXDMWORZOVLOR-HNNXBMFYSA-N 323.318 2.866 0 50 DFAA O=S(=O)([C@@H]1C[C@@H]2CCC[C@@H]21)N1CC(CC(F)F)(C2CC2)C1 2325783907 JTYPVZVTCPMGJM-WCFLWFBJSA-N 319.417 2.872 0 50 DFAA C[C@@H](NC(=O)c1cncc2ccsc12)c1nnc2ccccn12 2325878112 DXFCYCXBXMFIOP-SNVBAGLBSA-N 323.381 2.830 0 50 DFAA CC[C@]1(C)Cc2c(sc3nc(SC)n(C)c(=O)c23)CO1 103031 OFNGOLFZVNNRCQ-CQSZACIVSA-N 310.444 2.958 0 50 DFAA O=C(c1cccnc1)N1CCN(c2cccc(Cl)c2)CC1 209993 KUQGCIZZBKJVTC-UHFFFAOYSA-N 301.777 2.697 0 50 DFAA COc1cccc(NC(=S)NCc2ccc3c(c2)OCO3)c1 315374 WYCHROSOBOSQIJ-UHFFFAOYSA-N 316.382 2.911 0 50 DFAA COc1ccccc1C(=O)NC(=O)OCCOc1ccccc1 2024340 HSLUTBMVFLIMNC-UHFFFAOYSA-N 315.325 2.641 0 50 DFAA Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1C 4957286 LDNXKDBVEROPBM-UHFFFAOYSA-N 319.382 2.583 0 50 DFAA CC(C)CC1(C(=O)NCc2nnc(S)n2C(C)C)CCC1 119765763 JPKAOHVQYHTWDO-UHFFFAOYSA-N 310.467 2.980 0 50 DFAA CCN1CCC(N[C@@H]2CCCN(Cc3ccccc3F)C2)CC1 20778414 HAVOZBCTAXLPQW-GOSISDBHSA-N 319.468 2.864 0 50 DFAA Cc1nn(-c2cccc(Cl)c2Cl)c(O)c1CC(=O)O 102204242 REFZWDZVINVHJW-UHFFFAOYSA-N 301.129 2.820 0 50 DFAA Cn1c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc2ccccc21 119815125 JGMGAHDUJPOZBY-BEFAXECRSA-N 312.413 2.946 0 50 DFAA biogenic CCOc1ccc2[nH]c(=O)c(CN(C)C[C@@H]3CCCO3)cc2c1 67473133 TWYMSZWUWIFIPV-INIZCTEOSA-N 316.401 2.538 0 50 DFAA Cc1nc(CNC(=O)c2cc(-n3cccc3)ccc2O)cs1 67490916 BCVZHZAKUVKASR-UHFFFAOYSA-N 313.382 2.878 0 50 DFAA C[C@H](C(=O)N[C@@H]1C=CCCC1)[C@H](C)C(=O)N[C@@H]1C=CCCC1 252551357 UCVYEZNIQOEJSE-CAOSSQGBSA-N 304.434 2.708 0 50 DFAA CNc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1 20450263 KYSPYLUXXXKLNW-UHFFFAOYSA-N 316.449 2.604 0 50 DFAA C[C@H](C(=O)N[C@@H]1C=CCCC1)[C@H](C)C(=O)N[C@H]1C=CCCC1 252551360 UCVYEZNIQOEJSE-YHUYYLMFSA-N 304.434 2.708 0 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Cc1ccccc1[C@@H](CC(=O)O)NC(=O)CC[C@H]1CCCO1 237583244 HOSKVYIAAWJVNI-UKRRQHHQSA-N 305.374 2.586 0 50 DFAA O=C(NC1(C(=O)O)CCC1)[C@H]1C[C@H]1c1c(F)cccc1Cl 237952918 SMCLDPXAWCITGK-BDAKNGLRSA-N 311.740 2.706 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N3CCSCC3)cc2)n1 72148242 AKPVLBBKFIJGMB-UHFFFAOYSA-N 301.415 2.678 0 50 DFAA Cc1nc2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2[nH]1 218571443 YEFDQLUJSJOGOH-INIZCTEOSA-N 309.325 2.650 0 50 DFAA CC(C)S(=O)(=O)CCN1Cc2ccccc2C2(CCC2)C1 375631896 RQGKVDZHYFNBDW-UHFFFAOYSA-N 307.459 2.747 0 50 DFAA Cc1nn(C)c(Cl)c1Cc1noc([C@H]2CC23CCOCC3)n1 377460065 PEAVCZMBLWHAMB-LLVKDONJSA-N 322.796 2.640 0 50 DFAA Cc1nc2ncnn2c2ccn(CCC3=CCCCC3)c(=O)c12 72404159 SAIZUAIVYPXSRS-UHFFFAOYSA-N 309.373 2.638 0 50 DFAA Cc1n[nH]c(C)c1CN1CCO[C@H](Cc2cccc(F)c2)C1 71762014 OVOGPZNSLBORNI-MRXNPFEDSA-N 303.381 2.609 0 50 DFAA CCc1cc(N2CCO[C@H](c3ccccc3)C2)n2nccc2n1 72473175 YKTJPRODRAQBOF-INIZCTEOSA-N 308.385 2.870 0 50 DFAA CCn1ncc(-c2cc(C(F)F)n3ncc(C(=O)O)c3n2)c1C 20616692 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311.433 2.513 0 50 DFAA N[C@H]1CCC12CCN(C(=O)[C@@H](Cc1ccccc1)C1CC1)CC2 1875316075 SUGLOPRXTUEDIO-ROUUACIJSA-N 312.457 2.985 0 50 DFAA CCn1nc2c(c1C(=O)N1CCCCCC1)C[C@H](C)O[C@@H]2C 1875314108 HOZYDFYBYNPEHN-QWHCGFSZSA-N 305.422 2.941 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@H]1CCCS1)c1ccc(Cl)cc1 1875334599 WOLWJRNUODRKHM-VXGBXAGGSA-N 313.806 2.520 0 50 DFAA CN(C)c1ccc(C(=O)N[C@]2(c3ccccc3)C[C@H](O)C2)cc1 1775185472 KJVGBZWXUZHJEM-IZAXUBKRSA-N 310.397 2.533 0 50 DFAA Cc1c(CNC(=O)C2CC3(C2)C[C@@H]3C(=O)O)oc2ccccc12 1776006379 SMVVAVXROGUBAH-NOBQPIJMSA-N 313.353 2.858 0 50 DFAA Cc1cc(C(=O)N(C[C@@H]2CCCN2)C2CC2)nn1-c1ccccc1 186487238 PUEJSSLJSXWPPT-HNNXBMFYSA-N 324.428 2.537 0 50 DFAA O=C(NC[C@H]1COCCO1)N1CCC[C@@H]1CC1CCCCC1 170601390 PMPFYBCJUCKODF-CVEARBPZSA-N 310.438 2.546 0 50 DFAA CC(C)n1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 407961289 CNXSYZOCOSPFGY-NUEKZKHPSA-N 305.422 2.620 0 50 DFAA O=C(CCCc1nc(O)c2ccccc2n1)NCC1(CF)CC1 408516580 HNHZBYQJVXZVJM-UHFFFAOYSA-N 317.364 2.524 0 50 DFAA 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2.524 0 50 DFAA Cc1cccc(N2C[C@H](NC3CSCCSC3)CC2=O)c1 584896078 CSGOSEUKDDPTDD-CYBMUJFWSA-N 322.499 2.539 0 50 DFAA Cc1nc(C)c(C(=O)Nc2ccc(O[C@H](C)C(=O)O)c(F)c2)o1 630259465 ZXXGEJNLEANEIR-MRVPVSSYSA-N 322.292 2.535 0 50 DFAA COC(=O)/C=C/C(=O)N(Cc1ccccc1)Cc1cccc(C)n1 1875379226 PUBAOHFGCUQSLV-VAWYXSNFSA-N 324.380 2.648 0 50 DFAA O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CC[C@H]1c1ccccc1 1875349572 BYYHRLJDSKQQMZ-DLBZAZTESA-N 319.368 2.795 0 50 DFAA Cn1ncc2c1CN(C(=O)C[C@H](c1ccccc1F)C(F)F)C2 1875283905 HDMDCRWBHHGZMU-GFCCVEGCSA-N 323.318 2.840 0 50 DFAA Cc1ccc(-c2csc(NC(=O)C[C@@H]3CCNC3=O)n2)cc1 878010546 PPZKQAFVGXNTEW-LBPRGKRZSA-N 315.398 2.583 0 50 DFAA COc1c(F)cccc1CN[C@H]1CCCN(C(=O)C(C)C)C1 952973179 RMZZAVVPITUVPY-AWEZNQCLSA-N 308.397 2.571 0 50 DFAA COCC1(N(C)CC(=O)Nc2ccc(Cl)cc2F)CC1 244659528 HEFIMMJQEPCKRH-UHFFFAOYSA-N 300.761 2.528 0 50 DFAA C[C@@H](CC(=O)NC[C@H](O)c1ccc(O)cc1)c1ccc(F)cc1 1775990502 GQNOSZHJFAGIJY-SJCJKPOMSA-N 317.360 2.875 0 50 DFAA C[C@@]1(O)CCCN(C(=O)NCc2cc3ccccc3s2)C1 270897723 IUZPGQOYWKIBBC-MRXNPFEDSA-N 304.415 2.958 0 50 DFAA O=C(Nc1ncn(C2CCCCC2)n1)c1noc2c1CCCC2 273238758 WSESGXJVSJYFIY-UHFFFAOYSA-N 315.377 2.902 0 50 DFAA CS[C@H](C)Cc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 274082976 ZETPWDUKOKBSPJ-NEPJUHHUSA-N 317.414 2.884 0 50 DFAA CCn1nccc1S(=O)(=O)N[C@@H](C)c1cc(C)sc1C 274501878 SGUJJNQCZUNBSA-JTQLQIEISA-N 313.448 2.621 0 50 DFAA CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N1Cc3ccccc3NC1=O)C2 169733802 NWXCDQHBVVPPTL-BTTYYORXSA-N 315.373 2.796 0 50 DFAA in-vitro Cc1cccc(-n2ccnc2SC[C@@H](O)Cn2cccn2)c1 169974731 TZRRIALADDWNGG-HNNXBMFYSA-N 314.414 2.530 0 50 DFAA COc1cc(F)ccc1N(C)C(=O)c1ccc(C(=O)O)s1 170044225 JVNRPBNXJWLXHN-UHFFFAOYSA-N 309.318 2.871 0 50 DFAA CC(C)[C@H](NC(=O)C(=O)NCc1ccccc1)c1ccccc1 170608112 VLOLZWBFUHOKRS-KRWDZBQOSA-N 310.397 2.816 0 50 DFAA Cc1ncccc1CNCC1(N2CCCCC2)CCOCC1 111403952 DFEMGRFKFCVTNN-UHFFFAOYSA-N 303.450 2.515 0 50 DFAA Cc1ccccc1OC[C@@H]1CCCN(CCn2cnnc2C)C1 1529151629 KUBKFCOMHOIISK-QGZVFWFLSA-N 314.433 2.686 0 50 DFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1CCCCCC1 1529161799 QIKAVJFTLMPHGG-SJORKVTESA-N 302.418 2.726 0 50 DFAA CC(=O)N[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1c1ccc(C)cc1 212584599 RVNOZJUMRIBSGG-MSOLQXFVSA-N 314.429 2.616 0 50 DFAA O=C(Cc1coc2c(F)c(F)ccc12)N[C@]12CCC[C@@H]1NCC2 1615550696 YZXCTBAQYCNRIO-GUYCJALGSA-N 320.339 2.654 0 50 DFAA O=C(OCCF)N(Cc1cncs1)Cc1cncs1 1616034843 VOYOPHZDHOSWSC-UHFFFAOYSA-N 301.368 2.708 0 50 DFAA Cc1ccccc1NC(=O)c1nnn(-c2ccccc2C)c1N 11693001 GKMJWIUNUQHZDU-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA O=C(Cc1ccncc1)N1CCO[C@H](CCCc2ccccc2)C1 11934783 NTMMZCSYPQMMGV-LJQANCHMSA-N 324.424 2.874 0 50 DFAA CCOC(=O)c1ccc(NC(=S)NCc2ccco2)cc1 13544261 RXSCGKLWXDKRPH-UHFFFAOYSA-N 304.371 2.943 0 50 DFAA COc1ccc(CCCNS(=O)(=O)c2ccc(F)cc2)cc1 13671928 DCOARUMNUITJLW-UHFFFAOYSA-N 323.389 2.745 0 50 DFAA O=C(NCc1nc(-c2cccs2)no1)c1ccc(F)cc1 16649077 GSWNQLOPCUVCKY-UHFFFAOYSA-N 303.318 2.867 0 50 DFAA CCOC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 169805817 QHPHBTMMKKWYDP-JTQLQIEISA-N 307.337 2.832 0 50 DFAA Cn1cc(CCn2ccnc2-c2cccc(O)c2Cl)cn1 1857674237 ZMCBAXFUGABUPL-UHFFFAOYSA-N 302.765 2.885 0 50 DFAA Cc1cc(N[C@H]2CCN(C(C)C)C2=O)nn1C1CCCCC1 329738289 UEMLAQVZANBGQY-HNNXBMFYSA-N 304.438 3.118 0 50 DFAA Cc1ccc(OCC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1 237693372 CGJFAIGVQSDJGD-CQSZACIVSA-N 305.374 2.620 0 50 DFAA CN(Cc1ccc2ccccc2n1)[C@H]1CCC[C@H]1S(C)(=O)=O 245339488 TYOSXKZONSILCW-DLBZAZTESA-N 318.442 2.632 0 50 DFAA Cc1c[nH]cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c1=O 353108496 GEEAQQXRGAKNAF-CYBMUJFWSA-N 316.788 2.966 0 50 DFAA Cn1cccc1C(=O)N1CC[C@H](c2ccc3cccnc3n2)C1 585130769 BOXVMGAVQAHNIF-AWEZNQCLSA-N 306.369 2.598 0 50 DFAA c1ccc(-c2noc(CCN3CCOC[C@@H]3CC3CC3)n2)cc1 933211126 ZJBVFUSRSBUQLR-INIZCTEOSA-N 313.401 2.780 0 50 DFAA O=C(O)[C@H](CNc1ncc(Cl)cc1Cl)C1CCOCC1 863733016 FZWMJSBVUUQIPK-SNVBAGLBSA-N 319.188 2.928 0 50 DFAA COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 51286 DMAXSHFVDBYENN-UHFFFAOYSA-N 324.336 2.601 0 50 DFAA CC(C)CN(CC(C)(C)C)C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O 2325740506 CIQFOFKBMSRRGI-OLZOCXBDSA-N 320.499 2.522 0 50 DFAA CC(C)(CNC[C@@]1(c2ccccc2)COCCO1)[C@H]1CCCO1 2325779705 YLWFNRHXJYSFGU-MJGOQNOKSA-N 319.445 2.724 0 50 DFAA Cc1ccc(C(N)=O)cc1C(=O)NC[C@@H]1CCc2ccccc21 2325792432 AXOOGDYXWQPPTK-HNNXBMFYSA-N 308.381 2.554 0 50 DFAA Nc1c(N2CCN(c3ccccc3)CC2)c2ccccc2oc1=O 55296 JMMKNFSLHJYTGJ-UHFFFAOYSA-N 321.380 2.702 0 50 DFAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10112362 MCNOHDKNNHYLII-UHFFFAOYSA-N 319.382 2.973 0 50 DFAA Cc1cc(-n2nc(CCc3ccccc3)nc2[C@H](C)O)ccn1 65501183 BZIWFONCCWTRRT-AWEZNQCLSA-N 308.385 2.809 0 50 DFAA CCN(CCOc1ccccc1F)C(=O)COc1cccnc1 55198581 PYHQKUZHDKIWSD-UHFFFAOYSA-N 318.348 2.527 0 50 DFAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCCC1(O)CCCC1 55280947 WYHBWCAYEVLDNL-INIZCTEOSA-N 320.433 2.697 0 50 DFAA CCC[C@H](C)NC(=O)c1cc(COc2ccccc2OC)[nH]n1 67694600 CYWLSRDYYVAMKF-LBPRGKRZSA-N 317.389 2.916 0 50 DFAA C[C@@H](C(=O)Nc1cnc2n1CCCC2)N(C)C1CCCCC1 67908183 KEQWHQYQVXCSLJ-ZDUSSCGKSA-N 304.438 2.811 0 50 DFAA C[C@@H](C(=O)NCCCc1ccccn1)n1cnc2ccccc21 179074197 RJCGXXIFCVGZBH-AWEZNQCLSA-N 308.385 2.741 0 50 DFAA CC(C)CN1CCC(NC[C@@H]2CCCN3CCCC[C@H]23)CC1 65382718 QDFGIZOPAFMLRK-PKOBYXMFSA-N 307.526 2.961 0 50 DFAA Cc1ccc(-c2noc([C@H](C)N3CCC[C@@H](O)C3)n2)cc1F 229079889 MWVUPNLGYHWFGI-WCQYABFASA-N 305.353 2.702 0 50 DFAA CCNC(=O)C1(NC(=O)[C@H](C)c2ccc(CC)cc2)CCCC1 252506029 VWZHWBMDDAUNNH-CQSZACIVSA-N 316.445 2.918 0 50 DFAA Cc1nc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cs1 69357089 ZTHPATLRNJSIRK-UHFFFAOYSA-N 303.387 2.842 0 50 DFAA C[C@H](Oc1cccc(F)c1)C(=O)N1CCC2(CCNCC2)CC1 357876199 LPCLRWPCHOYIDC-AWEZNQCLSA-N 320.408 2.585 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)nc2)C1 151014192 MQHMFCDTFPWAAV-OAHLLOKOSA-N 311.385 2.698 0 50 DFAA Cc1ccnc(C2CCN(C(=O)CCc3ccccn3)CC2)n1 363821774 OHVKMRRIQGMGNN-UHFFFAOYSA-N 310.401 2.519 0 50 DFAA CC1(C)COc2c(C(=O)Nc3nnc4n3CCCC4)cccc21 241132874 JMPWAYJXRZEHRE-UHFFFAOYSA-N 312.373 2.537 0 50 DFAA Cc1ccc([C@@H]2CN(C(=O)CCc3cnc[nH]3)CCO2)c(C)c1 373828477 IFHZAXPXXQVOFN-KRWDZBQOSA-N 313.401 2.559 0 50 DFAA CO[C@H]1CCN(C(=O)Nc2ccn3ccnc3c2)CC1(C)C 333194807 PFJAUPCLOJSZAZ-ZDUSSCGKSA-N 302.378 2.613 0 50 DFAA COc1ccc(F)cc1CC(=O)N1CCCC[C@H]1c1cc[nH]n1 286014070 NRKTWKZCWSXYSK-HNNXBMFYSA-N 317.364 2.854 0 50 DFAA CCc1cc(N2CCO[C@@H](c3ccccc3)C2)n2nccc2n1 72473176 YKTJPRODRAQBOF-MRXNPFEDSA-N 308.385 2.870 0 50 DFAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 72144835 JXAZCJFLVQQKIL-OAHLLOKOSA-N 323.396 2.882 0 50 DFAA COC(=O)c1cccc(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1 130338609 INEMQYXTTNCCIU-UKRRQHHQSA-N 318.373 2.506 0 50 DFAA O=C1C[C@H](C(=O)N2CCC[C@@H](c3ccncn3)C2)c2ccccc21 14993319 NKGRYLQLDGFBHT-CJNGLKHVSA-N 321.380 2.553 0 50 DFAA Cc1cccc(-c2cncc(C(=O)N[C@H]3C[C@@H](C(=O)O)C3)c2)c1 263354798 WQGGWOIACBRYOK-AKAXFMLLSA-N 310.353 2.650 0 50 DFAA COc1ccccc1C[C@H](C)CC(=O)N1CCCC[C@H]1C(=O)O 136465995 YTPVOBMFFWJKNJ-ZFWWWQNUSA-N 319.401 2.730 0 50 DFAA CN(C(=O)c1csnn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 290305243 CMLNMUZHLKQLRQ-KGLIPLIRSA-N 317.414 2.856 0 50 DFAA O=C(CCN1CCC[C@@H](c2cn[nH]c2)C1)Nc1cccc(F)c1 160641833 SJTXVKINLAAGIN-CYBMUJFWSA-N 316.380 2.757 0 50 DFAA CN1CC[C@H](N(C)C(=O)c2ccc(-c3ncccc3F)cc2)C1 426488121 FNZXBFGUIOBBJV-HNNXBMFYSA-N 313.376 2.664 0 50 DFAA CN(Cc1cc(=O)c2cc(F)ccc2[nH]1)C1CCSCC1 91474174 CDGNGFYPHOQWGN-UHFFFAOYSA-N 306.406 2.995 0 50 DFAA Cc1n[nH]c(C2CC2)c1C(=O)NCc1snnc1C(C)C 97694690 VUTKQUZTUXISRG-UHFFFAOYSA-N 305.407 2.500 0 50 DFAA c1n[nH]cc1-c1nc([C@@H]2CCOC2)nn1CC1CCCCC1 97568781 LDKBBSVFBKSLJU-CYBMUJFWSA-N 301.394 2.752 0 50 DFAA O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1 238052695 NYZCTXRIVONBDF-VHSXEESVSA-N 316.279 2.631 0 50 DFAA CN1CCC(CCC(=O)N(C)CC[C@H](O)c2ccccc2)CC1 97655475 HDKOOMHNOXGOCW-SFHVURJKSA-N 318.461 2.691 0 50 DFAA Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)c2ccccc2n1 96163447 LEFRVMUXERCTGI-AWEZNQCLSA-N 324.380 2.717 0 50 DFAA Cc1nn(C)c2nc(N(C)CC[C@H](O)c3ccccc3)sc12 95520102 YMXXWTATQXLRIN-ZDUSSCGKSA-N 316.430 2.898 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(N3CCCCC3)cc2)C[C@]1(C)O 91892580 HANJLQJSGLRVNF-KDOFPFPSSA-N 302.418 2.520 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@H]2CSc3ccccc32)c1 299742968 LDCDHCFTQBDCES-AWEZNQCLSA-N 313.378 2.891 0 50 DFAA Cc1csc(CCCNC(=O)CCc2scnc2C)n1 299785282 ZPYGWZNIULFYLE-UHFFFAOYSA-N 309.460 2.898 0 50 DFAA COc1c(F)cccc1C(=O)N1CC[C@@](O)(c2ccccc2)C1 584887324 FTGQSOFJTFINTM-SFHVURJKSA-N 315.344 2.568 0 50 DFAA Cc1cc(F)ccc1N1CCC(NCc2nonc2C)CC1 584892219 SODVFRKTUCHMAM-UHFFFAOYSA-N 304.369 2.584 0 50 DFAA Cc1nonc1CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 873281721 PGYACTPSHGCVHU-ZUZCIYMTSA-N 318.352 2.810 0 50 DFAA C[C@@H](NC[C@@H]1CCn2ccnc2C1)c1ccc2c(c1)OCCO2 952877373 PATRNLDFEIFKDK-ZIAGYGMSSA-N 313.401 2.568 0 50 DFAA O=C(O)c1cnc([C@H]2CCCN2CCc2ccc(F)cc2)nc1 1875282550 JDJNAIOFAHLJPB-OAHLLOKOSA-N 315.348 2.694 0 50 DFAA COc1cccc2c(N3CCC(c4nc[nH]n4)CC3)nccc12 1875265589 KDERNUJFTCXVSP-UHFFFAOYSA-N 309.373 2.746 0 50 DFAA CC(C)CN(Cc1ccncc1)C(=O)[C@H]1CCCCCN1C 952869449 KHJXKEKHYIBANV-QGZVFWFLSA-N 303.450 2.941 0 50 DFAA COc1cc(C(=O)Nc2cc(C)c3nc(N)sc3c2)ccn1 952971567 FEAFKJGJUNOKHY-UHFFFAOYSA-N 314.370 2.843 0 50 DFAA Cc1cncc(CCC(=O)Nc2nc(CC3CC3)ns2)c1 888100837 ZZIWKVQNCAQIDY-UHFFFAOYSA-N 302.403 2.765 0 50 DFAA Cn1nc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)cc1O 888906246 ZYLNKFLBKLMIQV-LSDHHAIUSA-N 313.401 2.972 0 50 DFAA Cn1nc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)cc1O 888906245 ZYLNKFLBKLMIQV-HUUCEWRRSA-N 313.401 2.972 0 50 DFAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2CCc3cn[nH]c3C2)n1 275790282 ZEGBLMYKOLQLPY-OSMZGAPFSA-N 316.405 2.984 0 50 DFAA CCN(Cc1ccc(OC)cc1OC)C(=O)[C@@H]1CCCO[C@@H]1C 276584986 NOJCGYABJMDPFQ-CZUORRHYSA-N 321.417 2.867 0 50 DFAA FC(F)(F)c1cccc(NC2CCN(c3cccnn3)CC2)n1 277226210 SGFJAPZDBLQFOY-UHFFFAOYSA-N 323.322 2.971 0 50 DFAA C=CC(=O)N[C@H](CNC(=O)c1ccsc1)c1ccccc1 685944824 AWLFANLYPVSXTP-CQSZACIVSA-N 300.383 2.521 0 50 DFAA CCc1ccc2occ(C(=O)NC[C@H]3CCN(C(C)=O)C3)c2c1 408517556 KIIIOVDOBBONFF-CQSZACIVSA-N 314.385 2.593 0 50 DFAA CCNc1nnc(SCc2nccc(OC)c2OC)s1 191042220 VTFGKUPSDSTYJR-UHFFFAOYSA-N 312.420 2.674 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1 191346860 ORNYJDKSECKMSS-KBPBESRZSA-N 315.417 2.886 0 50 DFAA C[C@H]1C[C@H](NC(=O)N2Cc3cc(F)c(F)cc3C2)CN1C1CC1 654481998 URTRTUJOKOBNOI-GWCFXTLKSA-N 321.371 2.615 0 50 DFAA CN(C(=O)c1cccc2ccccc12)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1529145712 FUCLBRTVOFYOCH-OWCLPIDISA-N 322.408 2.827 0 50 DFAA Cc1occc1SCc1csc(CS(C)(=O)=O)n1 131566876 LGRXTMDOZOHDST-UHFFFAOYSA-N 303.430 2.881 0 50 DFAA Cc1ocnc1C(=O)N1CCC2(CC1)OCCc1sccc12 1704349108 JRUIQQATGLAQFL-UHFFFAOYSA-N 318.398 2.749 0 50 DFAA CC[C@@H](C)[C@H](NC(=O)C(F)(F)c1nccn1C)C(F)(F)F 1615586584 WCGHIGGCRGAAPG-SFYZADRCSA-N 313.270 2.605 0 50 DFAA CC(C)(CO)[C@@H](NC(=O)c1ccc(F)c2cccnc12)C1CC1 1615546737 CNUQTKJLBUTMDV-INIZCTEOSA-N 316.376 2.901 0 50 DFAA CN(Cc1cccnc1N)C[C@H]1CCN(Cc2ccccc2)C1 215613271 NVHAMLGKKBEITD-QGZVFWFLSA-N 310.445 2.618 0 50 DFAA CCN(CC)[C@H]1CCN(c2nncc(-c3cccc(F)c3)n2)C1 12704093 CCAKPNHAJBCESS-HNNXBMFYSA-N 315.396 2.598 0 50 DFAA FC(F)(F)Cc1noc(CN2CCC[C@H]2c2cccnc2)n1 328672963 OSONITREPPSBLI-NSHDSACASA-N 312.295 2.907 0 50 DFAA CC(C)c1cccc(O[C@@H](C)C(=O)N2CC[C@@H](N)C[C@@H]2C)c1 236799066 HMCBFSARBFSDCD-OFQRWUPVSA-N 304.434 2.916 0 50 DFAA CO[C@]1(C)C[C@@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C1(C)C 241693970 QJGYFKQKVRISGD-XTDFYOKMSA-N 323.481 2.505 0 50 DFAA CCc1noc(C)c1NC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C 666443482 BBHWZRSYAWWNHJ-RDDDGLTNSA-N 321.299 2.729 0 50 DFAA CC[C@H](CC1CCCC1)c1nc(-c2cn(C)c(=O)nc2O)no1 351211220 CKKGUILDACBPRM-LLVKDONJSA-N 318.377 2.610 0 50 DFAA COc1ncccc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 253394530 ZYLUHQIXARLRFZ-CJNGLKHVSA-N 320.339 2.676 0 50 DFAA Cc1cc(C)cc([C@H](NC(=O)Cc2ccsc2)C(=O)O)c1 262975096 IZZWFNYSAADNHU-HNNXBMFYSA-N 303.383 2.850 0 50 DFAA O=S1(=O)CCN(Cc2sccc2Cl)[C@H]2CCCC[C@@H]21 338547392 NRTXICOBNGQSNY-AAEUAGOBSA-N 319.879 2.943 0 50 DFAA CC1([C@H](N)C(=O)N2[C@H]3CC[C@H]2CC(CC(F)(F)F)C3)CC1 2325768861 ZBEZDGJYMPLSKG-SDDRHHMPSA-N 304.356 2.836 0 50 DFAA CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 22077530 HHPGLUUYZIDFPW-UHFFFAOYSA-N 302.296 2.880 0 50 DFAA COc1ccccc1[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 281021 GNWJPUGGMNOAHO-DOTOQJQBSA-N 322.364 2.865 0 50 DFAA biogenic CCN(CC)[C@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 309350 PAFPTCPQYCVUPC-MRXNPFEDSA-N 318.461 2.581 0 50 DFAA Cc1ncc2c(n1)[C@@]1(CCCN(c3nncc(C)c3C)C1)CC2 2356138753 HKYMAHDWYGBOQJ-SFHVURJKSA-N 309.417 2.676 0 50 DFAA COC(CNC(=S)Nc1cccc(C(F)(F)F)c1)OC 2814349 QDJWHMPNLXKVMS-UHFFFAOYSA-N 308.325 2.611 0 50 DFAA COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccco2)n1 4998256 AGFAWKCZSRDUNY-SNVBAGLBSA-N 313.313 2.829 0 50 DFAA C[C@@H](NC(=O)c1cc(Br)cs1)[C@H]1CCCO1 6698751 CWAZGXAXAAZIOQ-VXNVDRBHSA-N 304.209 2.808 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 112943985 NRYGDNZEWTXDGR-GFCCVEGCSA-N 319.430 2.945 0 50 DFAA COc1ccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)cc1 22925785 JSUPOKLFINQOIQ-SFHVURJKSA-N 318.461 2.506 0 50 DFAA O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2cc3cn[nH]c3cc2N1 65407430 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50 DFAA CC(C)(C)[C@@H](NC(=N)O)C(=O)N1CCC(CC(F)(F)F)CC1 330551647 XPTOWKJVVSIQBD-JTQLQIEISA-N 323.359 2.674 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)CC1 72173897 LPUZXBOQNJPWCH-OAHLLOKOSA-N 309.841 2.966 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 125352250 WBBFBNXGJYFLTB-RTXFEEFZSA-N 312.335 2.629 0 50 DFAA O=C(Cn1ccc2ccc(F)cc21)NCCc1ccc(O)cc1 32089557 TXHZUHQOSIWIQY-UHFFFAOYSA-N 312.344 2.845 0 50 DFAA C[C@H](Oc1ccc(CN(C)Cc2nccs2)cc1)C(=O)O 215424207 CTSXFDZHAVKGOD-NSHDSACASA-N 306.387 2.627 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 237417192 GHUKTESDDHIIAO-AAEUAGOBSA-N 314.351 2.834 0 50 DFAA O=C(NCCc1nc(-c2ccccc2)no1)c1ccccc1F 32593785 XSSCYHHSOWBREM-UHFFFAOYSA-N 311.316 2.848 0 50 DFAA CN1[C@H]2CC[C@H]1CN(C(=O)N[C@@H]1CCc3c(F)cccc31)CC2 240555831 GXNZSLGACQDUDQ-GDZNZVCISA-N 317.408 2.691 0 50 DFAA CCNC(=O)C1(NC(=O)C[C@H](C)c2ccc(F)cc2)CCCC1 240551418 GTNKDSOYYGQEJF-ZDUSSCGKSA-N 320.408 2.884 0 50 DFAA O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@H]1c1ncc[nH]1 241326096 LZGHQCFFQKLVRP-HNNXBMFYSA-N 312.348 2.936 0 50 DFAA C[C@H](CC(=O)Nc1cncnc1-n1cccn1)c1ccccc1 133656531 SJGXSSCCFDTVOO-CYBMUJFWSA-N 307.357 2.795 0 50 DFAA Clc1cccnc1N[C@@H]1CCOC[C@H]1Oc1ccccn1 219745599 NTVXJYGKZRDCPL-CHWSQXEVSA-N 305.765 2.778 0 50 DFAA COc1ccc(C(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)cn1 241816023 SEXJIXLRYABKGA-FMKPAKJESA-N 317.433 2.568 0 50 DFAA CC(=O)NC1CCC(NC[C@@H](C)N(C)c2ccccc2)CC1 132537868 TZEQFGQOUWKLGM-ODIFPOPNSA-N 303.450 2.548 0 50 DFAA Cn1ncc(C(=O)Nc2ccc3[nH]ccc3c2)c1-n1cccc1 44902649 BDSQQLGDJRVFLZ-UHFFFAOYSA-N 305.341 2.944 0 50 DFAA O=C(Cc1n[nH]c2ccccc12)N1CC(COc2ccccc2)C1 288520538 HTGMVXCHRVQPSV-UHFFFAOYSA-N 321.380 2.643 0 50 DFAA C[C@@H]1CCN(C(=O)Nc2cccc3c2OCC(=O)N3)C[C@H](C)C1 290208708 PSMOROHCXWTHTK-VXGBXAGGSA-N 317.389 2.917 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1C 47977060 ABUXLGIRPONTPS-CQSZACIVSA-N 303.406 2.636 0 50 DFAA O=C(NCCCc1ccco1)[C@@H](c1cccnc1)N1CCCC1 95373873 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O=C(O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 299761093 UQYGRRXTUXOKRN-UHFFFAOYSA-N 312.354 2.966 0 50 DFAA CC(C)n1cnnc1[C@H](C)NC1CCN(Cc2ccco2)CC1 822280967 RUUMXHAUYHVXFB-AWEZNQCLSA-N 317.437 2.767 0 50 DFAA C[C@H](ONC(=O)[C@H]1C[C@@H](c2ccccc2)CO1)c1ccncc1 1875297935 IZEVKIJCSAAJRS-IAOVAPTHSA-N 312.369 2.763 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)o1 952851001 BEFXTXNAFLBVMX-GUYCJALGSA-N 315.373 2.782 0 50 DFAA CN(C)c1nnc(SCCCN2CCC(F)(F)CC2)s1 952992967 UCZFXPVTSVFXKN-UHFFFAOYSA-N 322.450 2.817 0 50 DFAA CN(Cc1nc2ccccc2[nH]1)C(=O)N1CCC(F)(F)CC1 1365633849 LWOATWXEJKBOAV-UHFFFAOYSA-N 308.332 2.846 0 50 DFAA COc1ccccc1OCCCN1CC[C@](O)(C2CC2)[C@@H](C)C1 1565530458 COQOSCYGXQNMRZ-HNAYVOBHSA-N 319.445 2.947 0 50 DFAA C[C@H]1CC(NC(=O)c2cc3c(nc2O)CCC[C@@H]3O)C[C@H](C)C1 585122245 SLZSMKLDVJTSJO-UVWXRNBGSA-N 318.417 2.711 0 50 DFAA Cc1ccc(CC(=O)Nc2cn(C)nc2Br)cc1C 585125498 VMYLCJBAYASERD-UHFFFAOYSA-N 322.206 2.981 0 50 DFAA CCC1(NS(=O)(=O)c2cc(C)sc2C)CCOCC1 408019780 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CN(CCCOc1ccccc1Cl)C[C@@H]1CCC(=O)N(C)C1 1775980973 MSXWZDGKLRVDOD-AWEZNQCLSA-N 324.852 2.909 0 50 DFAA CCCCNC(=O)N1CCN(c2ccccc2OCC)CC1 5393203 XSNPOFISMBWHLJ-UHFFFAOYSA-N 305.422 2.717 0 50 DFAA CCc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1 16624543 PSFFFPCHSMVBPQ-UHFFFAOYSA-N 321.384 2.973 0 50 DFAA CCn1ncc(Br)c1C(=O)N(C)c1ccnc(C)c1 1647638810 ICXXJTNKDFTESI-UHFFFAOYSA-N 323.194 2.646 0 50 DFAA CCc1ccc(CN(C)[C@H]2CCOC3(CCNCC3)C2)cc1 1857670066 ODKJXRZKHATQGZ-SFHVURJKSA-N 302.462 2.982 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1nc2ccccc2n1C 408473763 UGQKXGAQBUGKBF-XJKSGUPXSA-N 315.417 2.737 0 50 DFAA COc1ccc(-c2csc3ncnc(NCCO)c23)cc1 2331943 MDPNCEBMMPIZQF-UHFFFAOYSA-N 301.371 2.771 0 50 DFAA COc1cc(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)ccc1C 630279652 KJLIZLDMPZULHM-ILXRZTDVSA-N 317.385 2.719 0 50 DFAA CNC[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)C1 237303817 GTXSECSWFPONHH-UONOGXRCSA-N 324.852 2.874 0 50 DFAA C[C@@H](NC(=O)c1c(O)cccc1F)c1ccc2c(c1)CC(=O)N2 131458414 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COc1ccncc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1 292648156 KWESZWXWXBPHPM-LSDHHAIUSA-N 303.406 2.858 0 50 DFAA Cc1cc(C)n([C@H]2CCN(C(=O)c3sc(C)nc3C)C2)n1 82108253 SYUWSZPHLKITBI-ZDUSSCGKSA-N 304.419 2.660 0 50 DFAA O=C1C[C@@]2(CCN(Cc3cccc(-c4ccccc4)c3)C2)C(=O)N1 82147185 KBPBLALEXROREA-HXUWFJFHSA-N 320.392 2.592 0 50 DFAA O=C(c1nc2ccccc2[nH]1)N1CCC(O)(c2ccccc2)CC1 426589144 WHWHFVRYZCBGTC-UHFFFAOYSA-N 321.380 2.687 0 50 DFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(C)cc1)C2 91943354 QLNWIKXAMRFNDR-GOEBONIOSA-N 315.417 2.860 0 50 DFAA Cc1cccc(C)c1CC(=O)N[C@H]1COc2ccccc2C1=O 180887968 PPXGSHBCTXZNOC-INIZCTEOSA-N 309.365 2.606 0 50 DFAA CCCCn1ncnc1[C@H]1CCCC[C@H]1C(=O)N1CCCC1 91817543 BZXMIITUUKWPPL-LSDHHAIUSA-N 304.438 2.974 0 50 DFAA CC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)[C@H]1C[C@H](O)C1 244691539 JEQPYFDTHOJKPO-YRGRVCCFSA-N 315.335 2.914 0 50 DFAA Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc2c1CCCC2 297024004 GZQZMHBKBUWJRI-MRXNPFEDSA-N 310.401 2.671 0 50 DFAA O=C(C[C@@H]1CCCCO1)N1CCNC[C@H]1c1ccccc1Cl 262058561 VSCQAECLVGESNH-BBRMVZONSA-N 322.836 2.772 0 50 DFAA COc1ccc(C)cc1NC(=O)NCC12CCCN1CCC2 299795615 LUNZRSHDFIGTEI-UHFFFAOYSA-N 303.406 2.754 0 50 DFAA Cc1ccccc1OCCC(=O)N1CC[C@@H](O)CC(C)(C)C1 395325963 CYIYDAUTAPSEHY-OAHLLOKOSA-N 305.418 2.773 0 50 DFAA CCn1nc(-c2c[nH]c3ccccc23)nc1[C@@H](C)NC(=O)OC 824155825 FYPYBFWGDGZCFG-SNVBAGLBSA-N 313.361 2.863 0 50 DFAA CC(C)Cn1cncc1CNC(=O)CCN1CCCCCCC1 821502056 GTYNOYKDZZHVQK-UHFFFAOYSA-N 320.481 2.812 0 50 DFAA Cc1cc(CN(C)Cc2sncc2Br)no1 585136769 RQPDPMGEYFDVJF-UHFFFAOYSA-N 302.197 2.834 0 50 DFAA Cc1cc(CNC(=O)c2cc(C)nc3c2nc(C)n3C)cc(C)n1 1875308866 DEINTOTXZSPKAH-UHFFFAOYSA-N 323.400 2.527 0 50 DFAA COC(=O)Cc1ccc(OC[C@@H]2C[N@]2CC(C)C)cc1Cl 1875381950 MCADXVHQUAFWOO-UGSOOPFHSA-N 311.809 2.775 0 50 DFAA Cc1nnc(C[C@@H]2CC[C@H](NCc3cccc4c3OCO4)C2)o1 952889759 FRCLCSXMYZPACV-OCCSQVGLSA-N 315.373 2.608 0 50 DFAA Cc1cc(C(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)O)oc1C 952890537 VYPWDQYWESCYEH-LBPRGKRZSA-N 317.345 2.685 0 50 DFAA CCc1onc(C)c1CNC(=O)[C@@H]1CCc2cccc(OC)c21 886677855 KMQQEYWVVXZQKA-CYBMUJFWSA-N 314.385 2.900 0 50 DFAA CCC[C@H]1CN(C(=O)c2ccccc2C(C)=O)C[C@@H]1N(C)C 1565506714 SYLIJOCROLQWSK-YOEHRIQHSA-N 302.418 2.692 0 50 DFAA COc1ccc(-n2ccc(CNc3nnc(C4CC4)o3)n2)cc1 276143959 IKAGYIVZMAVOMU-UHFFFAOYSA-N 311.345 2.753 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)NCc1nc2cc(Cl)ccc2n1C 277103780 SVORXTWXEBDPSP-JQWIXIFHSA-N 321.808 2.658 0 50 DFAA O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1ccncc1F 170595244 DUHGXMTYYZIHMQ-UHFFFAOYSA-N 311.320 2.933 0 50 DFAA C[C@@H](NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 170616074 YHKXKZFMWVHDCX-DYVFJYSZSA-N 322.453 2.718 0 50 DFAA CC(C)CO[C@@H](C)c1noc(COc2ccccc2CCO)n1 170616283 DHXYPYRQIWOCTF-ZDUSSCGKSA-N 320.389 2.917 0 50 DFAA COC(=O)[C@]1(C)CCCN1C(=O)c1ccc(Cl)cc1OC 187635752 RZPNEKIVENMALY-HNNXBMFYSA-N 311.765 2.516 0 50 DFAA CC1(C)C[C@H](O)CCN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C1 585130850 DMGRSHFMSLFJII-OAHLLOKOSA-N 313.401 2.700 0 50 DFAA Cc1cc(N)nc(S[C@@H]2CCO[C@@H](c3cccnc3)C2)n1 585118533 SLCKQNUICPHQFP-CHWSQXEVSA-N 302.403 2.775 0 50 DFAA Cc1ccc([C@@H]2COCCN2c2nccc(C(F)(F)F)n2)o1 301582056 NYBYOUHVUPXDBZ-JTQLQIEISA-N 313.279 2.975 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC=C(F)C1)C1CCC1 408521874 XDHLGOWYABLYRR-CYBMUJFWSA-N 312.385 2.766 0 50 DFAA CC(C)(C)C[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1(C)C 412825634 PONJOMLKTVEHGI-AWEZNQCLSA-N 319.449 2.697 0 50 DFAA Cc1ccn(C)c1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 190396219 SDBQHJLQXOMMQL-SWLSCSKDSA-N 320.339 2.560 0 50 DFAA CC(C)Oc1ccc(N(C)C(=O)[C@H]2CCn3ccnc3C2)cc1 192263185 JWPHHISNZSAASG-AWEZNQCLSA-N 313.401 2.896 0 50 DFAA O=C(NCc1cccc(C(F)(F)F)c1)NCC1CCOCC1 194805769 LJKPLNUQJCAJBB-UHFFFAOYSA-N 316.323 2.931 0 50 DFAA CC(C)n1ccc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)n1 653330575 HFXDLGSAEVGHKA-ZFWWWQNUSA-N 313.357 2.507 0 50 DFAA CC(C)[C@H]1N(C(=O)CCn2ccccc2=O)CC12CCCC2 654566609 IWRUGESVARUZSN-QGZVFWFLSA-N 302.418 2.666 0 50 DFAA C[C@@H]1CCCCN1CCN(C)Cc1ccc(CC(=O)O)cc1 1529185928 SXCUDPPUCWLGDT-OAHLLOKOSA-N 304.434 2.620 0 50 DFAA COc1nc(N2CCC([C@H](O)c3cccs3)CC2)ncc1F 1529168617 HZLOCSOMLJWDTJ-ZDUSSCGKSA-N 323.393 2.636 0 50 DFAA CCCC[C@@H]1CN(c2nnc3ccccn23)C[C@H](C2CC2)O1 1529126319 BCJCCENQDUVSEZ-HUUCEWRRSA-N 300.406 2.903 0 50 DFAA O=C(c1ccc(-c2ccccc2)cc1)N(CCO)Cc1ncc[nH]1 1704302850 CCKPPGVDUSCAQF-UHFFFAOYSA-N 321.380 2.711 0 50 DFAA COC(=O)c1cnc(NC(=O)C2(SC)CC2)c2ccccc12 1615605346 KSMXFSFYAUHKSE-UHFFFAOYSA-N 316.382 2.856 0 50 DFAA CN(C)c1ccc(-c2nccn2-c2cccc3c2CCO3)cn1 1772819214 QOWUCJDCALCJFC-UHFFFAOYSA-N 306.369 2.935 0 50 DFAA Cc1cccc(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)c1 1775980110 UTDWBRYWGNXEJP-MRXNPFEDSA-N 304.434 2.564 0 50 DFAA CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)NC(=O)[C@@H]12 13562617 XBXOEENJCWAXAG-BANKROOTSA-N 303.361 2.514 0 50 DFAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 16603964 BTELEDDKUBZOKO-GFCCVEGCSA-N 310.419 2.598 0 50 DFAA Cc1nc(NC(=O)CN2CCc3ccccc3C2)sc1C 19852625 KWSMSOSZBABSTR-UHFFFAOYSA-N 301.415 2.757 0 50 DFAA O[C@@H](COC1CCCCC1)CN1CCN(c2ccccc2)CC1 19973632 OJTKYAINSUZXFS-GOSISDBHSA-N 318.461 2.519 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c(=O)[nH]1 152714361 CKSSAYQWNPNNBS-INIZCTEOSA-N 310.397 2.949 0 50 DFAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccc2cccnc12 319879638 VKFJGJMXSFLCTL-MRXNPFEDSA-N 306.321 2.791 0 50 DFAA Cc1cccc(C)c1OCCNC(=O)N[C@H]1CCO[C@H](C)C1 332641159 VCRRSGIPFDOPHT-CABCVRRESA-N 306.406 2.549 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)[C@@H]2CCOc3ccccc32)C1 238012324 HKAWESNXISVKOE-UKRRQHHQSA-N 317.385 2.656 0 50 DFAA O=C(O)C1CCC(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 262661152 MYQJVNIISFSNGV-MMVSWEMESA-N 323.339 2.828 0 50 DFAA CC1(C)CCC[C@@H](C(=O)NCCc2nc(C(=O)O)cs2)C1 263112364 RTKMUKBXNCAEED-SNVBAGLBSA-N 310.419 2.716 0 50 DFAA Cc1cc(-c2noc(CN3CCC[C@]34CCNC4)n2)ccc1F 903872438 ZPNRMFQUKJKNBP-QGZVFWFLSA-N 316.380 2.512 0 50 DFAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCO[C@@]2(CCOC2)C1 935435099 VKPUKZBNOGJIRT-KRWDZBQOSA-N 307.390 2.517 0 50 DFAA C[C@H](NC(=O)c1cnn(CCN)c1)c1csc2ccccc12 2325778442 ZTDHHLQWCWGCLU-NSHDSACASA-N 314.414 2.548 0 50 DFAA COc1nccc2c1CN(C(=O)[C@@]1(C)C[C@@H]1C(F)(F)F)CC2 2325816026 GNUKPJHDSKAXCI-FZMZJTMJSA-N 314.307 2.563 0 50 DFAA c1cnn(-c2cncc(-c3ccc([C@@H]4COCCN4)cc3)c2)c1 2325859613 DBDHRIOMDHJHDB-SFHVURJKSA-N 306.369 2.595 0 50 DFAA CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1 421174 PBEUYCQQFCDEMS-UHFFFAOYSA-N 310.810 2.991 0 50 DFAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1ccc(C)n1 528837 CDVRFWQBEIDCOL-UHFFFAOYSA-N 314.794 2.789 0 50 DFAA COc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1 4252225 YMCZFVCNMRBHSA-UHFFFAOYSA-N 318.358 2.599 0 50 DFAA CCS(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 6701172 HRJSQCWRALPUEX-UHFFFAOYSA-N 310.419 2.511 0 50 DFAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(F)cc1 10372036 DNKWMOWHBFCQQY-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA CN(Cc1ccncn1)C(=O)[C@@]1(c2ccccc2F)CC1(C)C 20387912 BZLZODUCJPYFCP-SFHVURJKSA-N 313.376 2.942 0 50 DFAA CC(C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O 20531194 QJVBCTMKNFGQCN-SFHVURJKSA-N 322.408 2.778 0 50 DFAA biogenic CCCc1nnc(S)n1CC(=O)Nc1cc(C)cc(F)c1 135045640 UJTXGWMZAGNDCA-UHFFFAOYSA-N 308.382 2.606 0 50 DFAA c1nc([C@@H]2CCCNC2)cc(N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)n1 102243295 YCEUXXSVJCQYJP-DRRXZNNHSA-N 312.461 2.959 0 50 DFAA COc1ccccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1C21CC1 101127681 HOHCAYRASQLOKU-YIKOMLBNSA-N 313.353 2.547 0 50 DFAA CON1CCC(N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 421205138 GRWGHDJQZIHQEM-NSHDSACASA-N 300.349 2.964 0 50 DFAA CN(CCc1ccccn1)c1ncccc1CNC(=O)C1(C)CC1 67489805 KUACDAYESYJRLK-UHFFFAOYSA-N 324.428 2.572 0 50 DFAA O=C(CN1CCCCC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 67643469 PYGSGNMKJJWRSS-MRXNPFEDSA-N 322.836 2.726 0 50 DFAA OCC[C@H]1CN(Cc2ccc(F)c(F)c2)CCN1C1CCCC1 20914029 RKZZSFGWNKZVGN-INIZCTEOSA-N 324.415 2.776 0 50 DFAA CCOc1cc(N2CCC[C@H]2C[C@H](O)c2ccco2)ncn1 127036810 WOVRASIOEOYVKT-STQMWFEESA-N 303.362 2.561 0 50 DFAA Cc1ccc(NC(=O)[C@H](C)NCc2cncn2CC(C)C)cc1 65408659 MHPZXXORAPHQPS-HNNXBMFYSA-N 314.433 2.964 0 50 DFAA NC(=O)c1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3 92153 MJKBTJVPGNRKMX-UHFFFAOYSA-N 310.382 2.528 0 50 DFAA Cc1cccc(-n2nc(C)nc2CNC(=O)c2ccccc2)c1 65509042 HTJWXEMMKSZZQF-UHFFFAOYSA-N 306.369 2.814 0 50 DFAA CNCC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 237068497 QQVDLAFRJOBISY-UHFFFAOYSA-N 315.392 2.892 0 50 DFAA Cc1cscc1C(=O)N1CCN2CCOc3cccc1c32 378421219 HTENHVMSPNXRHD-UHFFFAOYSA-N 300.383 2.916 0 50 DFAA O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 375771716 WINIHIAIOFSUBG-LCGIIJARSA-N 301.434 2.990 0 50 DFAA COC[C@]1(CNCc2cccnc2C)OCCc2ccccc21 377729900 ZGXONYGDEFOUPY-IBGZPJMESA-N 312.413 2.594 0 50 DFAA CN1C[C@@]2(CCCN(CCCCOc3ccccc3)C2)OC1=O 72142169 DGDRXUQPNVPNFN-GOSISDBHSA-N 318.417 2.762 0 50 DFAA CC[C@H](c1ccccn1)N(C)C(=O)c1cccc(-n2cnnc2)c1 215035614 WDFHILWDMBLNDC-QGZVFWFLSA-N 321.384 2.886 0 50 DFAA Cc1nsc(C)c1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 292583843 YTXTXHZQPDTMFV-LLVKDONJSA-N 310.810 2.697 0 50 DFAA CCOC(=O)N1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 220053801 LPOWZNZRSGZGCS-UHFFFAOYSA-N 318.417 2.674 0 50 DFAA COC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccn1 222689286 SIXIRDMGZHNFID-CQSZACIVSA-N 308.740 2.992 0 50 DFAA COc1c(F)ccc(-c2cn(CCCn3ccnc3)nn2)c1F 95368609 IQYQSDFVHDTJFG-UHFFFAOYSA-N 319.315 2.519 0 50 DFAA Cc1nc(CN2CCN(Cc3csc(C)n3)CC2)cs1 97966174 NNJHQLWZIXRUJB-UHFFFAOYSA-N 308.476 2.534 0 50 DFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCCOc1cccnc1 426435418 ONIUADJXLQDSCC-AWEZNQCLSA-N 316.405 2.548 0 50 DFAA O=C(NC[C@@H]1CCOc2ccccc2C1)c1ccn(C(F)F)n1 95386758 WFZSHHHMFVSFDN-LLVKDONJSA-N 321.327 2.649 0 50 DFAA CCN(Cc1sc(N(C)C)nc1Cl)C1CCOCC1 97480327 VNJUCNGXYISKQC-UHFFFAOYSA-N 303.859 2.863 0 50 DFAA Cc1csc([C@H](C)N(C)C(=O)c2cnc(C3CC3)nc2)n1 97711755 QRBFNSYDNQGYDZ-JTQLQIEISA-N 302.403 2.952 0 50 DFAA Cc1nc(-c2ccc(CNC(=O)c3cc(C)n(C)c3C)cc2)no1 243893802 AUJGTKPOCGAULV-UHFFFAOYSA-N 324.384 2.930 0 50 DFAA CCN(CC(=O)Nc1cccc(F)c1C)[C@@H]1CCCC[C@H]1O 244742020 OAQUEXKQXWCLRV-HZPDHXFCSA-N 308.397 2.698 0 50 DFAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc(C2CC2)n[nH]1 244900120 ZWJQKRRHBHIWRI-JRPNMDOOSA-N 317.414 2.591 0 50 DFAA CC[C@H](NC(=O)COc1ccc(Cl)cc1C)[C@H]1C[C@@H](O)C1 240128316 IPSMFEMJDKQLDY-YUTCNCBUSA-N 311.809 2.693 0 50 DFAA Cn1c(=O)c(CN2CCC[C@H](c3cc[nH]n3)C2)cc2ccccc21 252488993 JDJCPMTYDIHDPY-HNNXBMFYSA-N 322.412 2.641 0 50 DFAA C[C@H](OCC1CC1)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299744057 QPFTUEYCFPJVPN-NUTKFTJISA-N 321.392 2.835 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1C[C@@H](O)[C@H]1[C@@H]3C[C@H](O)C[C@@]3(C)CC[C@H]12 257345942 NJFDVXNNCYQDEC-DYFRMJEVSA-N 308.462 2.722 0 50 DFAA CC[C@H]1CCCCN1CC(=O)NCc1ccc2c(c1)CCCO2 252489010 JDQDDRBZILBWFQ-KRWDZBQOSA-N 316.445 2.892 0 50 DFAA Cc1nc2cc(NC(=O)NCCN3CCCC3)ccc2s1 299777719 LOVHDICBTRQGST-UHFFFAOYSA-N 304.419 2.822 0 50 DFAA O=C(NCc1cccc(C(F)(F)F)c1)N1CCC[C@@H](CO)C1 298653788 NUMKQLKGYJWIPC-GFCCVEGCSA-N 316.323 2.619 0 50 DFAA O=C(Nc1nccs1)[C@@H](Sc1cnn[nH]1)c1ccccc1 670417530 VAIXWWKBXWHEBQ-NSHDSACASA-N 317.399 2.733 0 50 DFAA O=C(O)c1ccc(C(=O)NCc2ccc(-c3cc[nH]n3)cc2)cc1 1875255206 LXWQJWOXVKOTNK-UHFFFAOYSA-N 321.336 2.705 0 50 DFAA CCCn1ccc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)n1 1875333435 UVQBQDLCSZCUGF-UHFFFAOYSA-N 309.373 2.613 0 50 DFAA O=C(O)[C@H]1C[C@H]2CC[C@H]1CN(C(=O)c1coc(C3CCC3)n1)C2 1875306055 RDDLHEMQKOALIN-WXHSDQCUSA-N 318.373 2.515 0 50 DFAA C[C@](O)(CNC(=O)c1cc(C2CCCCC2)n[nH]1)C(F)(F)F 270954300 UCJRRQCVDXKKLK-ZDUSSCGKSA-N 319.327 2.501 0 50 DFAA O=C(O)[C@@]1(CF)CCN(Cc2cccc(C(F)(F)F)c2)C1 1775996978 OXDUMJZPHTXYCB-CYBMUJFWSA-N 305.271 2.952 0 50 DFAA CC(=O)N1CC[C@@](C)(C(=O)Nc2cccc3cccc(O)c23)C1 1776006097 MQIIMWWTCVKDRL-GOSISDBHSA-N 312.369 2.742 0 50 DFAA COC[C@@H]1[C@H](NC(=O)Nc2ccccc2Cl)[C@H]2CCO[C@@H]12 1565516523 KSCXPDCJNSILEN-DMTCVQMQSA-N 310.781 2.511 0 50 DFAA CCO[C@@H]1C[C@H](NCc2ccc(OC)c(F)c2)C12CCOCC2 186224805 VRHJCCJTIIHROP-DLBZAZTESA-N 323.408 2.898 0 50 DFAA C=CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 585139940 YHPOHGSBHGBSOE-UHFFFAOYSA-N 324.380 2.887 0 50 DFAA COCCSC[C@@H]1Cn2c(nnc2-c2ccccc2)S1 585118329 KPSHOBIUJKTNJK-LBPRGKRZSA-N 307.444 2.799 0 50 DFAA Cc1ccc(F)cc1Cn1cnc2c(cnn2C(C)(C)C)c1=O 188224414 MHFLJFNCSDKDRW-UHFFFAOYSA-N 314.364 2.844 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 408388799 XFNOVYFRFQTWNF-ZBFHGGJFSA-N 305.422 2.629 0 50 DFAA CS(=O)(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccs1 225781816 GYFYSEMFHWXFGZ-CYBMUJFWSA-N 324.402 2.998 0 50 DFAA Cc1noc2ncnc(N[C@H]3CCCN(c4ccccc4)C3=O)c12 193395630 IFIGXQQWJUDRDV-ZDUSSCGKSA-N 323.356 2.534 0 50 DFAA Cc1nn(C(C)C)cc1CN1CCc2occc2[C@H]1C(=O)O 1615617589 DNPURXGYYWUEJV-HNNXBMFYSA-N 303.362 2.549 0 50 DFAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 12864721 WBOFTEVBKZTYMZ-UHFFFAOYSA-N 323.824 2.958 0 50 DFAA O=C(NCc1ccc(F)c(F)c1)c1cn(C2CCCCC2)nn1 15071031 FUWFWJUILVYLGB-UHFFFAOYSA-N 320.343 2.992 0 50 DFAA Cc1ccc(F)c(-c2nccn2CC2(CO)CCOCC2)c1F 1857709927 YUWCBHFNFZIHCN-UHFFFAOYSA-N 322.355 2.926 0 50 DFAA CCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102132871 GUILWQHLLVHRFG-AZHAFVHUSA-N 301.342 2.547 0 50 DFAA Cc1cc(C)c(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)cn1 454874954 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CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccco2)cc1 170851 OYYADDRYAISDAH-UHFFFAOYSA-N 317.370 2.755 0 50 DFAA COC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 468631 PMODPQZLZHRTHP-UHFFFAOYSA-N 302.355 2.599 0 50 DFAA Cc1sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(C(N)=O)c1C 2091086 NNCNTEPDCHMRME-NSHDSACASA-N 321.229 2.986 0 50 DFAA CCCCCCOc1cccc(N[C@@H]2C[C@@H](O)[C@H](O)CO2)c1 4035936 IMFNPJKXFSYJIC-ZACQAIPSSA-N 309.406 2.526 0 50 DFAA FC(F)(Cl)c1nnc2n1N=C(c1ccccc1)CS2 4293926 NABUMOGHLHWVFL-UHFFFAOYSA-N 300.721 2.924 0 50 DFAA CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)CC[C@@]1(C)C(=O)O 4811424 CJJSEBJKIPJYCU-PXAZEXFGSA-N 319.357 2.850 0 50 DFAA CCOC(=O)CSc1nc(-c2ccccc2OCC)n[nH]1 6573749 VLILNOXZOLDANP-UHFFFAOYSA-N 307.375 2.526 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2O)c1 6703106 SDSKKOJAZAJBGI-UHFFFAOYSA-N 307.371 2.764 0 50 DFAA CNC(=O)Cc1c2c(n(CCc3ccccc3)c1C)CCCC2=O 11956894 NYEFEVOJBRMWDK-UHFFFAOYSA-N 324.424 2.847 0 50 DFAA CCc1ccccc1NC(=O)C[C@@H]1Oc2ccccc2NC1=O 16647819 JHLOAEGPFUAKGL-INIZCTEOSA-N 310.353 2.977 0 50 DFAA Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2C)n1 18250688 FPCKWMLQJMDUEY-UHFFFAOYSA-N 323.805 2.771 0 50 DFAA CN(CC(C)(C)CO)[C@H]1CCCN(Cc2ccccc2F)C1 19771138 RKPQRQBAZOGFNF-INIZCTEOSA-N 308.441 2.740 0 50 DFAA CCc1ccc(CN2CCC(N3CCN(CC)CC3)CC2)cc1 19888829 KHIZYERVYHCXCO-UHFFFAOYSA-N 315.505 2.851 0 50 DFAA CCC(=O)c1ccc(OCCCCN2CCN(C)CC2)cc1 20653110 IFFGFOGPBVFIBO-UHFFFAOYSA-N 304.434 2.686 0 50 DFAA COc1ccc(CNC(=O)Cc2csc(C(C)=O)c2)cc1 20909107 QAXOFGBSLNZKDK-UHFFFAOYSA-N 303.383 2.818 0 50 DFAA CC(=O)N[C@@H](C)c1nc(CC(C)C)nn1-c1ccc(F)cc1 65409729 LTVXPCJMTLAVQK-NSHDSACASA-N 304.369 2.802 0 50 DFAA CCOC(=O)CCN(Cc1ccccc1)[C@@H](C)CC(=O)OCC 72193741 IIGVDNNGQSLPPC-HNNXBMFYSA-N 321.417 2.784 0 50 DFAA COc1cccc(SCC(=O)NCCc2cscn2)c1 79049628 SUQFUXYEOGRCCF-UHFFFAOYSA-N 308.428 2.603 0 50 DFAA CCC[C@@H]1CN(C(=O)NCc2ccc(OC)cc2)C[C@H]1N(C)C 82147122 AEVPXKUGLLZCJY-NVXWUHKLSA-N 319.449 2.567 0 50 DFAA CCOCCN1CCC(c2nccn2Cc2cscn2)CC1 91551636 HAKPXDOWBCAKGV-UHFFFAOYSA-N 320.462 2.604 0 50 DFAA C[C@@H]1CN(C(=O)Cc2c(F)ccc(Cl)c2F)CC[C@]1(C)O 91602811 RDZZPOYYGJFUQY-PSLIRLAXSA-N 317.763 2.780 0 50 DFAA CC(=O)c1cccc([C@@H](C(=O)O)N(C)Cc2nccs2)c1F 95388055 WXEUVLASJQRXOX-AWEZNQCLSA-N 322.361 2.743 0 50 DFAA CCn1nc(C)cc1C(=O)NCc1coc(-c2ccccc2)n1 97002778 VUQMADBLGSCACX-UHFFFAOYSA-N 310.357 2.796 0 50 DFAA COc1ccccc1N1CC[C@H](NC(=O)NC2CCCCC2)C1 130910095 SELAHMKKYKNHNP-HNNXBMFYSA-N 317.433 2.906 0 50 DFAA Cc1nnc(C(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)s1 131593608 PMQFSOJCNCMIDH-MRVPVSSYSA-N 307.423 2.597 0 50 DFAA C[C@@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1-n1cccn1 153521930 JZFNNAAEKLGASM-GFCCVEGCSA-N 321.384 2.575 0 50 DFAA O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCC[C@H](CO)C1 187443285 ZIDRCYQDVPDJLM-FGTMMUONSA-N 316.445 2.812 0 50 DFAA Cc1cnccc1CNC(=O)N1CCO[C@@H](c2cccs2)C1 188272038 QWTUEQHBGBJBTN-CQSZACIVSA-N 317.414 2.735 0 50 DFAA CCc1ccccc1C(=O)N1CCSC[C@@H]1c1cnn(C)c1 192213316 MAXIGYNBRGNSQM-MRXNPFEDSA-N 315.442 2.913 0 50 DFAA Cc1csc([C@H](C)CNC(=O)Nc2ccc(N(C)C)cn2)n1 193891820 AYAGHGCWEAGHRL-SNVBAGLBSA-N 319.434 2.838 0 50 DFAA CO[C@@H](C)CS(=O)(=O)N[C@H](C)c1cc2ccccc2s1 195233339 XGWPNRYGPZLHAZ-WDEREUQCSA-N 313.444 2.917 0 50 DFAA Cc1nn(C)cc1CNC(=O)[C@@H]1CCCc2c1[nH]c1ccccc21 216110260 FLGOLPLHEBJSDD-MRXNPFEDSA-N 322.412 2.946 0 50 DFAA Cn1nc(C(=O)NCc2nc3cc(F)ccc3[nH]2)c2ccccc21 219186001 UXODWCAAQOOSRU-UHFFFAOYSA-N 323.331 2.519 0 50 DFAA Cc1nc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)cs1 219425367 GLSOLOAFVSZTIZ-UHFFFAOYSA-N 315.446 2.936 0 50 DFAA COC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccn1 222689351 SIXIRDMGZHNFID-AWEZNQCLSA-N 308.740 2.992 0 50 DFAA O=C(N[C@H]1CCCNC1=O)c1cccc(-c2ccc(F)cc2)c1 223552659 KXCAUZNLJNFVFQ-INIZCTEOSA-N 312.344 2.501 0 50 DFAA COc1ccc(-c2nc(CN3CCC[C@H]3C(=O)O)cs2)cc1 237480218 CLYPXCGMZHYIKL-AWEZNQCLSA-N 318.398 2.868 0 50 DFAA O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCCNC1=O 243914712 BJVGKEHUYBMJDJ-SFHVURJKSA-N 322.408 2.603 0 50 DFAA CCS(=O)(=O)CCn1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)n1 252487156 SVTOMISQQWVRNT-BFHYXJOUSA-N 313.467 2.554 0 50 DFAA O=C(CN1CCCC1)NCc1cc(-c2ccccc2Cl)on1 252501700 UHYYCMDDUNAUMF-UHFFFAOYSA-N 319.792 2.707 0 50 DFAA CC(C)N(C)Cc1nc(-c2ccc(N3CCCC3)cn2)no1 273799510 HOTZOGFRRYMXSU-UHFFFAOYSA-N 301.394 2.572 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(C)o1 275396723 RGUPNCIHLUGTPM-HOCLYGCPSA-N 317.389 2.507 0 50 DFAA COCC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 276582764 JXXFLWVHNOHALW-HNNXBMFYSA-N 317.364 2.916 0 50 DFAA C[C@H](O)CNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F 282768557 LEJWDNPNHHQJNG-QMMMGPOBSA-N 324.274 2.659 0 50 DFAA COc1cccc(CN[C@H]2CC[C@@H](CO)C2)c1OC(F)F 295030136 LMKBPLPDMXBNHB-PWSUYJOCSA-N 301.333 2.547 0 50 DFAA Cc1cccc2c(N(C)C[C@H]3CCc4nccn4C3)ncnc12 328620356 GXWYCEKRTAWQAE-CQSZACIVSA-N 307.401 2.834 0 50 DFAA C[C@@H]1CCC(C)(C)N1C(=O)c1ccnc(NC(=O)C2CC2)c1 333066484 AIHREDUOTCJNCD-LLVKDONJSA-N 301.390 2.833 0 50 DFAA OCC1(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CCC1 344349024 JYAJXZSUARJYOP-UHFFFAOYSA-N 305.809 2.982 0 50 DFAA CC(C)=CCOc1cccc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1 347405012 DTCDXBQRGUPBBE-GJZGRUSLSA-N 307.365 2.577 0 50 DFAA CCc1ccccc1NS(=O)(=O)c1cn2c(n1)CCCC2 360448655 ODISFZFJZUXOOT-UHFFFAOYSA-N 305.403 2.583 0 50 DFAA CCc1ncsc1NC(=O)[C@@H]1CCCN1Cc1ccccn1 372162972 BWRTZUVFHWTHAT-AWEZNQCLSA-N 316.430 2.704 0 50 DFAA Cc1nc(CC(C)C)c(C(=O)N2CC[C@](O)(C3CC3)C2)s1 373249434 IEJLVRXUELRIAE-MRXNPFEDSA-N 308.447 2.637 0 50 DFAA c1ccc(CN2CCC3(CCN([C@H]4CCOC4)CC3)C2)cc1 375674163 SEVFXFFBWUWXKU-SFHVURJKSA-N 300.446 2.763 0 50 DFAA CC(C)Cn1cc(NC(=O)C2(N)CCCC2)c(C(F)F)n1 423902682 KTMMYVDGLURVJM-UHFFFAOYSA-N 300.353 2.687 0 50 DFAA O=C(NCCc1noc(C2CCC2)n1)[C@H]1CC12CCCCC2 426555518 MBPHOMDFGWFNMU-CYBMUJFWSA-N 303.406 2.966 0 50 DFAA Cc1cnc(CC(=O)N[C@H]2COc3cccc(Cl)c32)s1 495191403 MBYGLILQIGHNGD-JTQLQIEISA-N 308.790 2.897 0 50 DFAA CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cn2)CC1 496575320 YNQYFEHGKDBSOZ-UHFFFAOYSA-N 311.813 2.788 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](CN[C@@H]1C=C[C@H](CO)C1)CC1CCC1 585086271 CCUWWWDZEKACTQ-ARFHVFGLSA-N 324.465 2.597 0 50 DFAA 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CCc1ncnc(N2CC[C@@H](c3ccccc3)[C@H](O)C2)c1F 2356164550 XKUODMJNZOEMKU-DZGCQCFKSA-N 301.365 2.533 0 50 DFAA O=C(C[C@@H]1SCCNC1=O)Nc1ccc(Cl)cc1Cl 4511183 WEXYAMJKQHAZEM-JTQLQIEISA-N 319.213 2.554 0 50 DFAA COc1ccc(CNC(=O)c2nc(-c3cccc(C)c3)no2)cc1 6743480 OFPHLRDJQOHPNS-UHFFFAOYSA-N 323.352 2.984 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 112511313 INKAXOUGBFGJSR-AAEUAGOBSA-N 314.351 2.834 0 50 DFAA COc1cc(CN[C@@H]2COc3c(cccc3OC)C2)ccc1F 20363662 USWUWGJYZWCJTA-AWEZNQCLSA-N 317.360 2.936 0 50 DFAA CC(C)c1nc(CN2CCN(Cc3ccncc3)CC2)co1 253398761 XWFHGVXXIXKRRL-UHFFFAOYSA-N 300.406 2.511 0 50 DFAA O=C(NC1CCCCCCC1)[C@@H]1CCCN1C1CCOCC1 153592538 CLKIUMXTUYJUCN-KRWDZBQOSA-N 308.466 2.859 0 50 DFAA OC1=NCCN1C1CN(Cc2cccc(-c3ccccc3)c2)C1 328595561 YHSOXAIKTVXKOP-UHFFFAOYSA-N 307.397 2.767 0 50 DFAA CC(C)n1cnc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 328586639 ODXOQOMWGZEJTJ-WMLDXEAASA-N 316.449 2.553 0 50 DFAA Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccsc1 328656010 YYGYISMELCMVOC-LBPRGKRZSA-N 321.471 2.765 0 50 DFAA Cc1nc(CCN(C)C(=O)c2cc(C)c(C)cc2Cl)no1 285671192 DOTATONEGTVTOP-UHFFFAOYSA-N 307.781 2.963 0 50 DFAA O=C(c1cc2n(n1)CCCO2)N(CC(F)(F)F)C1CCCC1 432998055 ZIVSFHLNFSBBSW-UHFFFAOYSA-N 317.311 2.613 0 50 DFAA Cc1ccc(NC(=O)Cn2cc(C3CC3)nn2)cc1-c1ncco1 131069260 CIHBCNJMZRAKJR-UHFFFAOYSA-N 323.356 2.758 0 50 DFAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1 262563501 WCZRSDCLHSCPTG-SNVBAGLBSA-N 316.279 2.583 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)c2cnc(-c3ccsc3)s2)C1 237661810 FDJUQNSFFFLDEV-CQSZACIVSA-N 322.411 2.808 0 50 DFAA O=C(OC1CCNCC1)c1ccc(NC(=O)C2CCCC2)cc1 237958588 BPKOYYCDKXRDDS-UHFFFAOYSA-N 316.401 2.724 0 50 DFAA CCc1nc(NCCc2nc(C)c(C)s2)c2cnn(C)c2n1 72159311 NPGPQXASOGISSF-UHFFFAOYSA-N 316.434 2.654 0 50 DFAA C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cncc(Cl)c1)C[C@@H](C)O2 451387604 DYNDTFWUDSIIHY-HSMVNMDESA-N 324.808 2.534 0 50 DFAA CCN1CCN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 72131300 GVZRBGBYWHINGB-AWEZNQCLSA-N 324.852 2.888 0 50 DFAA Cc1ccc(NC(=O)c2nnc([C@@H]3CCCNC3)s2)cc1 47218819 CYJYJVJNVVPBFL-LLVKDONJSA-N 302.403 2.566 0 50 DFAA NC(=O)[C@](CCN1CCCCC1)(c1ccccc1)c1ccccn1 71770687 RNRKPHNAJZHGSV-HXUWFJFHSA-N 323.440 2.729 0 50 DFAA CCOc1ccc(S(=O)(=O)NCc2cccnc2)c(C)c1C 41095671 MPBLGSFHKLEUJL-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA O=C(c1nc(Cl)cs1)N1CC[C@@](CO)(c2ccccc2)C1 291189446 LGUYDHBCHRWFLD-OAHLLOKOSA-N 322.817 2.573 0 50 DFAA C[C@@H]1C[C@@H](NCC2CCN(Cc3ccccc3)CC2)CCN1C 178634566 PYJONMFCDLNGBD-XLIONFOSSA-N 315.505 2.971 0 50 DFAA N[C@@H]1CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C[C@H]1O 82119932 UWQHKMOEYJYKNF-QZTJIDSGSA-N 316.376 2.512 0 50 DFAA COCc1ccc(CN2CCN(CC(F)(F)F)CC2)cc1 179843489 GYGWFANBJZWXKH-UHFFFAOYSA-N 302.340 2.513 0 50 DFAA NCC1(NCc2ccccc2)CCN(Cc2ccccc2)CC1 148244399 QUPLRKZQHPDCNH-UHFFFAOYSA-N 309.457 2.770 0 50 DFAA Cc1nnc2n1C[C@@H](NCc1ccsc1C(F)(F)F)CC2 623388751 UJEYLCXRKPQCNE-JTQLQIEISA-N 316.352 2.771 0 50 DFAA OC[C@]1(CC2CC2)CCCN(c2nccc(C(F)(F)F)n2)C1 91440589 XVAXNAUPTSBLTE-AWEZNQCLSA-N 315.339 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COC(=O)[C@@H](Oc1cc(C=O)ccc1OC)c1ccccc1 3884072 OPJCEQVOQZLOKQ-INIZCTEOSA-N 300.310 2.801 0 50 DFAA COc1ccc(NC(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@H]3C2)cc1 365536734 KBKWUYKKQMWHRR-RRQGHBQHSA-N 315.417 2.643 0 50 DFAA Cc1csc(CCC(=O)N2C[C@H](O)C[C@H]2c2ccccc2)n1 331439911 CQYUQHJQFBWHPO-CABCVRRESA-N 316.426 2.719 0 50 DFAA CN1C[C@@]2(CCN(C(=O)c3cc4ccccc4s3)C2)OC1=O 72167396 OFZPBLFXZHDYSJ-MRXNPFEDSA-N 316.382 2.568 0 50 DFAA Cc1cc(C(F)(F)F)nc(N2CCCC23CCOCC3)n1 371807799 DFJZDYKHHREREM-UHFFFAOYSA-N 301.312 2.953 0 50 DFAA C[C@@H](C1CC1)n1nccc1NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 329831300 KNECRWMDRWJXMU-XUJVJEKNSA-N 318.421 2.885 0 50 DFAA Oc1nccc2c1CN(c1nc(C3CC3)nc3c1CCC3)CC2 330217395 NVXGISAXPYIIEO-UHFFFAOYSA-N 308.385 2.506 0 50 DFAA O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 125169362 DEKQBYXABBWGCD-INIZCTEOSA-N 322.836 2.600 0 50 DFAA C[C@@H](Cc1cnccn1)NC(=O)Cc1cccc(C(F)(F)F)c1 219949730 PPPDUVQWZDKCIE-NSHDSACASA-N 323.318 2.785 0 50 DFAA Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)o1 159234517 FDRNYSBJASJHMP-OLZOCXBDSA-N 318.377 2.704 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 376092795 MVEKHSUOWJPQJH-LJQANCHMSA-N 321.380 2.628 0 50 DFAA CN(C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C1CCNCC1 237103268 MJUSXOSKGUMIKF-UHFFFAOYSA-N 318.808 2.554 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 339439556 LXVWXDQLASBTLV-UONOGXRCSA-N 322.767 2.766 0 50 DFAA C[C@@H]1C[C@H](N(C)CCCC(=O)O)CCN1Cc1ccccc1 176915416 DTVJTTTYELPIST-NVXWUHKLSA-N 304.434 2.836 0 50 DFAA CCCCCCOc1cccc(N[C@@H]2C[C@H](O)[C@@H](O)CO2)c1 15240835 IMFNPJKXFSYJIC-ULQDDVLXSA-N 309.406 2.526 0 50 DFAA CC[C@H](C)c1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)on1 246149201 QBXFIZWKUOYSPD-UOVKNHIHSA-N 304.390 2.876 0 50 DFAA CO[C@H]1C[C@@H](CO)N(c2ccc3c(Cl)ccc(C)c3n2)C1 343364823 KWHATTBPTUWQCQ-RYUDHWBXSA-N 306.793 2.783 0 50 DFAA Cc1cc(C[C@H](C)NC(=O)N(C)[C@H]2CCc3ccccc32)n[nH]1 178526274 FHLNQMDEESRIHH-SJCJKPOMSA-N 312.417 2.978 0 50 DFAA Cc1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)ccn1 291340119 WLGOABZJNUYFQQ-FQEVSTJZSA-N 324.424 2.847 0 50 DFAA COCCC[C@H]1CCCN(C(=O)COCc2ccccc2)C1 91817802 RPEQIWPJIJPOKF-MRXNPFEDSA-N 305.418 2.868 0 50 DFAA CN1CCC[C@@]2(CCN(C(=O)c3cn(C)c4ccccc34)C2)C1 294133152 MJXYUXRHTPLOSV-LJQANCHMSA-N 311.429 2.736 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc(F)c(COCC2CC2)c1 237620707 VPYKUCNOCYDVLU-BLLLJJGKSA-N 320.408 2.704 0 50 DFAA COc1ccccc1-n1ncnc1COCC(F)(F)C(F)F 92098957 GCBFFKWVTBTKBQ-UHFFFAOYSA-N 319.258 2.693 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)C(=O)Nc1cccnc1Cl 95501415 RXKJPQHICVYNPL-UHFFFAOYSA-N 307.785 2.781 0 50 DFAA O=C(CCC1CCNCC1)N[C@H]1C[C@H]1c1c(F)cccc1F 237786468 IFRWPIFVVYKONF-DOMZBBRYSA-N 308.372 2.717 0 50 DFAA Cc1cc(C2CCC2)nc(N2CCC3(CC2)OCCC[C@H]3O)n1 95366885 LSNVBRMFOHUYPA-MRXNPFEDSA-N 317.433 2.563 0 50 DFAA CNC(=O)c1ccccc1C[C@H]1COc2c(cccc2OC)C1 95519480 GLPWKZKAERPENM-CYBMUJFWSA-N 311.381 2.849 0 50 DFAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)C1 299749226 JMUNSHIEEYYMQQ-ZNMIVQPWSA-N 316.401 2.596 0 50 DFAA Cc1nccc(C2CCN(Cc3ncc(C)c(O)c3C)CC2)n1 253536206 KZMQKPFJGJFMSO-UHFFFAOYSA-N 312.417 2.882 0 50 DFAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1nc3ccccc3s1)CC2 299756435 FAYUMXOMHXWGSE-YLQAJVPDSA-N 318.442 2.801 0 50 DFAA Cc1cccc([C@@H](NC(=O)c2cccnc2N(C)C)C2CC2)n1 299800400 WKYBKINDFQYLRT-INIZCTEOSA-N 310.401 2.732 0 50 DFAA Cc1nc([C@H](C)NC(=O)CCc2n[nH]c(C)c2C)c(C)s1 299764726 DECHSUCTARDRMJ-JTQLQIEISA-N 306.435 2.910 0 50 DFAA COc1cc(NC(=O)NCC[C@@H]2CCCOC2)cc(OC)c1 299790627 BTMJKOFIHSSEQX-LBPRGKRZSA-N 308.378 2.642 0 50 DFAA Cc1ccc(C(N)=O)cc1NC(=O)NCCCC[C@@H]1CCCO1 299779228 RDDGRLCMDADEMI-CQSZACIVSA-N 319.405 2.565 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 268943834 NNJOZDICIUEUAX-XJKSGUPXSA-N 301.386 2.505 0 50 DFAA CC(C)c1cc(CN(C)C(=O)c2cnc(C3CC3)nc2)on1 584903699 HXPJSBSAISJRJZ-UHFFFAOYSA-N 300.362 2.738 0 50 DFAA CC[C@H](CO)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 864234278 UEPWXBZVICJQCU-DOTOQJQBSA-N 319.449 2.599 0 50 DFAA CN(C)C(=O)c1cccc(NCCCOC2CCCCC2)n1 584896055 RKFMCOBWRBGDNP-UHFFFAOYSA-N 305.422 2.935 0 50 DFAA Cc1cccc(OC[C@@H]2CCCN(Cc3noc(C)n3)C2)c1 670458329 HZFCANFSXZCAKB-OAHLLOKOSA-N 301.390 2.977 0 50 DFAA O=C(NCCC[C@@H]1CCCCO1)NCc1ccc2c(c1)OCO2 186070764 AGDHILCDKPXJFC-AWEZNQCLSA-N 320.389 2.564 0 50 DFAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2ccccc2C(C)(C)C)C1 269272803 NGDHCVDUWCHGKF-HUUCEWRRSA-N 318.461 2.949 0 50 DFAA Cc1nscc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 1875280962 IUXLKSVATSXPQP-UHFFFAOYSA-N 324.427 2.966 0 50 DFAA C/C=C/c1cn(C[C@H]2CCCCN(C(=O)[C@@H]3C[C@H]3CC)C2)nn1 1875323312 DSFKYRFMMPVIPB-RPOPLRLQSA-N 316.449 2.986 0 50 DFAA CC(C)(C)OC(=O)NC1CCN(c2ccccc2C(=O)O)CC1 1772718128 RQIGYSKCKJHDLA-UHFFFAOYSA-N 320.389 2.878 0 50 DFAA CCOC1CC(CCNc2ncc(Br)cn2)C1 276817807 CZMZOCZYEUSRTE-UHFFFAOYSA-N 300.200 2.856 0 50 DFAA CCCOc1ccc(CNC(=O)NC2CCC(O)CC2)c(C)c1 189700027 VQZSALMQCGIADZ-UHFFFAOYSA-N 320.433 2.887 0 50 DFAA COc1cc(OC)cc(-c2nc3cc(F)ccc3c(=O)[nH]2)c1 190417129 WCOZAWMWARZGSS-UHFFFAOYSA-N 300.289 2.746 0 50 DFAA O=C(N1CCC[C@@]2(CCNC2)C1)C1(c2ccc(F)cc2)CCC1 646361512 XNOBZUFVNMHXST-SFHVURJKSA-N 316.420 2.850 0 50 DFAA Cc1csc([C@@H](C)CNC(=O)Nc2ccc(N(C)C)cn2)n1 193891805 AYAGHGCWEAGHRL-JTQLQIEISA-N 319.434 2.838 0 50 DFAA C[C@H](Cc1ccc(F)cc1)NCc1nc([C@H]2CCCO2)n[nH]1 655797825 QSDODFWKZPNHFW-BXUZGUMPSA-N 304.369 2.516 0 50 DFAA COC(=O)c1ccccc1Cn1nc(Cl)cc(C2CC2)c1=O 585123105 VKRVQNPOYKRFQU-UHFFFAOYSA-N 318.760 2.609 0 50 DFAA Cc1cccc2c1CN(c1ccc(C(=O)NC3CC3)cn1)CC2 683198584 YFQUPNAMRFSHLP-UHFFFAOYSA-N 307.397 2.845 0 50 DFAA CCc1nc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)n[nH]1 1506417184 LIHAWIOXECGGEU-UHFFFAOYSA-N 314.368 2.528 0 50 DFAA CCCn1nc(C)c(NC(=O)c2ccccc2-c2nc[nH]n2)c1C 1506425389 MDIZUSFLEKACGV-UHFFFAOYSA-N 324.388 2.947 0 50 DFAA COc1ccc(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cn1 1704328308 LVONRQLNMFDRKY-WNKDZCFJSA-N 303.450 2.641 0 50 DFAA Cn1nc(C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1-c1cccnc1 1615627233 HIYUDUNPWPGLDZ-GASCZTMLSA-N 310.401 2.744 0 50 DFAA COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c1 5732364 BJBUTJQYZDYRMJ-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vitro Cc1cc2cc(C(=O)N3CCO[C@H](CCN(C)C)C3)ccc2o1 15067437 LCTCWKWESRZZSJ-MRXNPFEDSA-N 316.401 2.534 0 50 DFAA CCN1CCC(NC(=O)c2cccc(OCC(C)C)c2)CC1 16604540 NHUWFCCIXDCQAI-UHFFFAOYSA-N 304.434 2.936 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc13)CC(=O)N2 17028092 KNKLFPUWRZCJSL-CQSZACIVSA-N 305.337 2.706 0 50 DFAA Cc1nn(C)c2c1[C@@H](NC(=O)CCc1cccc(F)c1)CCC2 1857672055 GXUVDESHHSHIGV-HNNXBMFYSA-N 315.392 2.994 0 50 DFAA CC(=O)NCCn1ccnc1-c1cccc(CC(F)(F)F)c1 1857687142 OGJIUQDSFFFOQS-UHFFFAOYSA-N 311.307 2.791 0 50 DFAA O=C(C[C@H]1Sc2ccccc2NC1=O)NC1CCCCC1 221069 ULSOKXBEEGOXQL-CQSZACIVSA-N 304.415 2.938 0 50 DFAA O=C(Cn1cnc(-c2ccccc2)n1)N1CCCC[C@H]1C(F)F 332624927 DDUGAXQUKBSQJT-ZDUSSCGKSA-N 320.343 2.591 0 50 DFAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ncc(C2CC2)o1 345787809 MGOFJOCORTYHPZ-RBSFLKMASA-N 306.406 2.568 0 50 DFAA C[C@@H]1C[C@@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CC(C)(C)C1 378556405 ZYCQPWSKFBPTNZ-TZMCWYRMSA-N 304.438 2.973 0 50 DFAA Cc1cccc([C@@H](O)CNCc2cc3ccccc3n(C)c2=O)c1 1661881903 JIXCFMQWHPGPSO-IBGZPJMESA-N 322.408 2.670 0 50 DFAA CC(C)Cc1ncc(NC(=O)C23CCC(C(=O)O)(CC2)C3)cn1 910706621 BRGOXSLBKFBDAB-UHFFFAOYSA-N 317.389 2.649 0 50 DFAA CC1=C(C)C[C@](C)(C(=O)N[C@H](CO)Cc2ccc(O)cc2)CC1 935170815 QIFBYUSMBCVQEQ-QFBILLFUSA-N 317.429 2.938 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)c1C 2325795604 OZZCEGBZKGRHRW-OAHLLOKOSA-N 300.406 2.801 0 50 DFAA CC[C@H](C)CC(=O)C(=O)N[C@@H](C)CCc1ccc(O)c(OC)c1 2325813749 BBALEHFNFZMRNO-STQMWFEESA-N 321.417 2.843 0 50 DFAA C[C@]1(CNC(=O)c2nnc3c(F)cccc3c2O)CC=CCC1 2325842113 ONQFNLBYOVEAQY-KRWDZBQOSA-N 315.348 2.951 0 50 DFAA CC(C)(C)c1nnc(CSc2ncc3c(n2)CCCC3=O)o1 863351800 KYHBTWVKXAVFAQ-UHFFFAOYSA-N 318.402 2.968 0 50 DFAA Cc1ccc(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 107885 RAJCVXJZSOLGCT-UHFFFAOYSA-N 307.353 2.652 0 50 DFAA COc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1Cl 309582 STIVWGPINYSJQB-UHFFFAOYSA-N 321.789 2.870 0 50 DFAA COC(=O)[C@H](CC(=O)c1ccc(C)cc1)n1nc(C)cc1C 4488156 BQKTYTKYCZFLQV-HNNXBMFYSA-N 300.358 2.795 0 50 DFAA COC(=O)c1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1 4977409 WFOXIHUASFGCFQ-UHFFFAOYSA-N 324.340 2.858 0 50 DFAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 7276877 DHBZIZPTHFPYRA-SNVBAGLBSA-N 309.416 2.598 0 50 DFAA COc1ccccc1NC(=O)c1ccc(N2CCOCC2)cc1 7504798 JGEYQECLWSMELG-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA CCCc1nc2[nH]c(C)c(Cc3cccc(Cl)c3)c(=O)n2n1 100131702 JXOZOCUTKHGQOR-UHFFFAOYSA-N 316.792 2.923 0 50 DFAA O=[S@@](CCN1CCCC[C@H]1Cn1cccn1)c1ccccc1 247308967 HWWIXHZQPOPRCW-AOMKIAJQSA-N 317.458 2.545 0 50 DFAA Fc1ccc(F)c(C[C@H]2CCCN2c2ncnc3[nH]cnc23)c1 418971240 ARABZKUSZNWGBK-GFCCVEGCSA-N 315.327 2.843 0 50 DFAA CCCN1CCN(C(=O)[C@@H](CC)Oc2ccccc2C)CC1 20472662 UMHPQCDHFGKDRU-MRXNPFEDSA-N 304.434 2.707 0 50 DFAA C[C@H](C(=O)Nc1ncccn1)N1CCC[C@H]1c1cccs1 249101225 DDNQUABGNFNBAH-NEPJUHHUSA-N 302.403 2.702 0 50 DFAA O[C@@H]1CN(c2ncccn2)CC[C@H]1c1ccc2ccccc2c1 65425638 CTIMOJQJWMFUSO-ZWKOTPCHSA-N 305.381 2.985 0 50 DFAA C[C@H](Sc1ccccn1)C(=O)NCCCc1ccccn1 178605707 IWEQDSZVABXGBO-ZDUSSCGKSA-N 301.415 2.706 0 50 DFAA O=C(Nc1cccc(OCCF)c1)[C@@H]1Cc2ccccc2CN1 119298983 QGRDKLMOVQRWPL-KRWDZBQOSA-N 314.360 2.688 0 50 DFAA CCC(CC)n1ncc(C(=O)N2CC[C@H](CO)C[C@@H]2C)c1C 426145256 IVIWTZZMRGGBQI-JSGCOSHPSA-N 307.438 2.786 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N1CCOc2ccc(F)cc2C1 428432105 OQGVCEQHCXEYEB-UHFFFAOYSA-N 317.364 2.519 0 50 DFAA CN(CCCOc1cccc(Cl)c1)C(=O)C[C@@H]1CCNC1 128459096 UFNHEHGHDLDMEU-ZDUSSCGKSA-N 310.825 2.567 0 50 DFAA COC(=O)c1sccc1OS(=O)(=O)c1ccc(C)cc1 2556014 PQFPAFMQABUIQE-UHFFFAOYSA-N 312.368 2.611 0 50 DFAA CN(Cc1cccc(C(F)(F)F)c1)Cc1cc2n(n1)CCNC2 72144436 VSYRKOBGQRVZCQ-UHFFFAOYSA-N 324.350 2.637 0 50 DFAA CCN(Cc1occc1C)S(=O)(=O)N1CCCCCC1 331579902 ZYKTZXQISSOLSH-UHFFFAOYSA-N 300.424 2.531 0 50 DFAA C[C@@H](C[C@@H](O)c1cccs1)NC1CCC2(CC1)OCCO2 156421014 HRHYKHSWBJHWIQ-GXTWGEPZSA-N 311.447 2.835 0 50 DFAA O=C([C@@H]1CCCN1Cc1ccccc1)N1CC(c2ccncc2)C1 72132008 UZTGAIMLVJPPCP-IBGZPJMESA-N 321.424 2.672 0 50 DFAA CSCc1cc(F)ccc1CNC(=O)CC1CCNCC1 237373377 GHULKNIPIJNMLX-UHFFFAOYSA-N 310.438 2.695 0 50 DFAA Cc1ncc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c(C2CC2)n1 341393889 XTRWWALAKNVQFD-UHFFFAOYSA-N 320.356 2.700 0 50 DFAA Cc1nnc(NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)o1 376186483 HPJLIUSZDQXEIY-LBPRGKRZSA-N 306.797 3.278 0 50 DFAA Cc1cnc2c(c1)N(C(=O)c1cncc(OC(C)C)c1)CCO2 126476904 DFKKNLHNSZSUTC-UHFFFAOYSA-N 313.357 2.611 0 50 DFAA Cc1ccc(CN2CCN(C[C@H](C)C(F)(F)F)CC2=O)cc1 72146007 VUSRNIOXMIJQHN-ZDUSSCGKSA-N 314.351 2.838 0 50 DFAA C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCCN2CCC[C@H]2C1 241277662 LIBUUNXEIGVVSW-CABCVRRESA-N 311.429 2.909 0 50 DFAA COc1cccc(CC(=O)NCc2nc(C(C)C)cs2)n1 338845324 SNFAXIIZORYAHB-UHFFFAOYSA-N 305.403 2.529 0 50 DFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C)CC1 44715286 JIBIHALCRYLVQT-AWEZNQCLSA-N 304.434 2.525 0 50 DFAA Cc1ccccc1OC[C@@H]1CCCN(C(=O)Cn2cccn2)C1 77472546 JTECHNMSEOUSNJ-MRXNPFEDSA-N 313.401 2.509 0 50 DFAA COCC1(CNC(=O)Cc2cc(OC)ccc2OC)CCCC1 220010989 NZXKSMVEZSYBPV-UHFFFAOYSA-N 321.417 2.569 0 50 DFAA CN(CC1CCCCC1)S(=O)(=O)c1c[nH]c2ncccc12 193907064 DSSAZLJJOBYSKY-UHFFFAOYSA-N 307.419 2.764 0 50 DFAA Cn1c(C(=O)NCC[C@@H]2CCOC2)cc2c(Cl)cccc21 426487250 BCXXSJXYRAGCFN-LLVKDONJSA-N 306.793 2.988 0 50 DFAA Cc1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1Cl 47977500 MTIYMAAUHZWWLH-UHFFFAOYSA-N 323.824 2.981 0 50 DFAA Cc1c(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)cnn1C 179274798 XOKVMQLIUMWIAX-LBPRGKRZSA-N 314.172 2.707 0 50 DFAA COCC1(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)CCCC1 91849302 KERLDXRAHYVUEH-KRWDZBQOSA-N 318.461 2.921 0 50 DFAA C[C@@H](Cc1ccsc1)NC(=O)c1cnc(-c2cccnc2)nc1 95354302 DEQQTAVGYXENOE-LBPRGKRZSA-N 324.409 2.961 0 50 DFAA Cc1noc([C@H]2CCCCN2c2nc3c(s2)c(C)nn3C)n1 95524424 ZBNPXVKPTOGPFR-SNVBAGLBSA-N 318.406 2.761 0 50 DFAA Cn1cnnc1-c1ccc(NC(=O)N2CCC(F)(F)CC2)cc1 96165846 PCTCJUVJJUEXRH-UHFFFAOYSA-N 321.331 2.745 0 50 DFAA O=S1(=O)CC[C@H](c2csc(Cc3cccc(F)c3)n2)C1 294903140 ASPXJOGXRCHTRL-NSHDSACASA-N 311.403 2.775 0 50 DFAA CN(CCn1cccn1)Cc1ccc2c3c(cccc13)C(=O)OC2 244795872 ROWCEGYNARFDEE-UHFFFAOYSA-N 321.380 2.839 0 50 DFAA O[C@H](CNC1CCN(C2CC2)CC1)c1cc(F)cc(Cl)c1 298203394 YFGBVPFDSHPGRT-MRXNPFEDSA-N 312.816 2.729 0 50 DFAA CCc1cccc(C)c1NC(=O)CCN(C)C1CCOCC1 252486886 HPZDKWOOXSSBMO-UHFFFAOYSA-N 304.434 2.997 0 50 DFAA CC1(C)C[C@]1(C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N)c1cccs1 534587311 AFOWJJSXHKOVKB-DMVWFOPNSA-N 304.459 2.612 0 50 DFAA CSC[C@@H]1CCCN(C(=O)c2ccc(OCCCN)cc2)C1 299781693 VOAFIJDYZRWHOH-CQSZACIVSA-N 322.474 2.629 0 50 DFAA Cc1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc2)o1 821396966 ZLVRPRKCUMDOCK-HNNXBMFYSA-N 314.385 2.885 0 50 DFAA Cc1nnsc1[C@H](C)NCCc1cn2c(C)cccc2n1 1875284798 NANTWRDWDBVQSM-NSHDSACASA-N 301.419 2.696 0 50 DFAA Cn1ccnc1[C@@H](N=c1cc(Cl)nc(C2(C)CC2)[nH]1)C1CC1 1875395043 IEUYVLRBVBREIN-ZDUSSCGKSA-N 317.824 2.900 0 50 DFAA Cc1ccc(N2CCC(N3C[C@@H](O)[C@H](F)C3)CC2)cc1Cl 952972856 RFVSMLUACBNQHG-HZPDHXFCSA-N 312.816 2.632 0 50 DFAA O=C(c1cc(F)cnc1O)N1[C@H]2CC[C@H]1CC(CC(F)F)C2 884949605 DXXUFUBPSZUHDQ-QWRGUYRKSA-N 314.307 2.965 0 50 DFAA CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cc(C(=O)O)no1 958720326 MFGMKQQMYQWAKN-JTQLQIEISA-N 310.350 2.705 0 50 DFAA CN(C)Cc1csc(CNC(=O)N2CCC(C3CC3)CC2)n1 896595264 PQBMGYCROITCKD-UHFFFAOYSA-N 322.478 2.536 0 50 DFAA COc1ccnc(CN2CCc3c(C)cccc3[C@H]2C(=O)O)c1 1777389323 JMSJYMNFRLJEFT-KRWDZBQOSA-N 312.369 2.583 0 50 DFAA C[C@@H]1OCCC[C@@H]1C(=O)NCc1nc2cccc(Cl)c2n1C 276889030 DCVIFBUQISWCSX-QWRGUYRKSA-N 321.808 2.658 0 50 DFAA Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2ncoc2C)no1 278225191 YALUTCBPECUFAD-QMMMGPOBSA-N 301.350 2.730 0 50 DFAA Cc1cccc(F)c1NC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 279518978 KDLZUOXTKIODNE-GDZNZVCISA-N 322.380 2.934 0 50 DFAA Cc1nc([C@H](NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](C)O)cs1 585126664 FMPORWJHISTMOF-ZUZHRZSZSA-N 308.447 2.816 0 50 DFAA Cc1cc(C(F)(F)F)nc(N2CCC(c3ncc[nH]3)CC2)n1 679821678 NHCTVQJSTWXMPT-UHFFFAOYSA-N 311.311 2.911 0 50 DFAA CCCN(C)C[C@H]1CCN(c2ncnc3[nH]c(C)c(C)c23)C1 645181430 FAQDJBVJJCYTAA-CQSZACIVSA-N 301.438 2.743 0 50 DFAA O=C(O)c1ccc(N2CCC(N3CCc4ccccc43)CC2)nc1 647454382 NARWNFVKXPHWPU-UHFFFAOYSA-N 323.396 2.811 0 50 DFAA CC(C)c1ccc2ncnc(N[C@H]3CCc4ncnn4C3)c2c1 647867524 LPGHSQUDCBFPSP-ZDUSSCGKSA-N 308.389 2.772 0 50 DFAA O=C(NCCc1ccc2c(c1)OCO2)c1cccc2c1CCC2 194323897 IKLVPLQATYLRIK-UHFFFAOYSA-N 309.365 2.877 0 50 DFAA C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](C)CC2)cc1 194464227 MQVOIIWKYIFQCS-CQSZACIVSA-N 300.402 2.751 0 50 DFAA Cc1cc(F)ccc1C[C@H](C)NCc1nnn(C(C)(C)C)n1 657561564 QJQRCKFVJLRLMX-LBPRGKRZSA-N 305.401 2.596 0 50 DFAA COc1ccnc(N(C)C(=O)c2cc3cccc(OC)c3o2)n1 1435499205 FUZUOUHCHDNPJJ-UHFFFAOYSA-N 313.313 2.517 0 50 DFAA CC(C)N1CCCC[C@H]1CCNc1ncc(F)c(N(C)C)n1 1529189997 CQRBVZXYXZENOU-ZDUSSCGKSA-N 309.433 2.747 0 50 DFAA CCc1cc(N[C@H](C)COc2cccc(F)c2)n2ncnc2n1 139451028 OEYFEYQEJGRCIO-LLVKDONJSA-N 315.352 2.705 0 50 DFAA O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1CCCO 4029266 BYTUWSPMFCEHFU-DHZHZOJOSA-N 322.364 2.655 0 50 DFAA biogenic CN(C)CC[C@@H](Sc1nnnn1C1CC1)c1ccccc1 1615588059 NPCVTRMNFGCXET-CQSZACIVSA-N 303.435 2.793 0 50 DFAA Cc1nccnc1CCNc1nnc(SC(F)(F)F)s1 1615553139 UOWUIYMAFMLKGJ-UHFFFAOYSA-N 321.353 2.903 0 50 DFAA CC[C@H](Oc1ccccc1C)c1nnc([C@H]2CC(=O)N(C)C2)o1 1616025816 XQYPFUAMSLSPNK-STQMWFEESA-N 315.373 2.854 0 50 DFAA CCc1ccc(NC(=O)C[C@@H]2CNN(c3ccccc3)C2=O)cc1 1740818300 ZKTCZHZPCSIHDL-OAHLLOKOSA-N 323.396 2.745 0 50 DFAA C[C@H]1C[C@@H](C)CCN(C(=O)CSc2nnc(S)s2)C1 163411743 GOTXEWYGSASIAB-IUCAKERBSA-N 317.505 2.814 0 50 DFAA C[C@@H](C(=O)NCc1cccnc1Oc1ccccc1)n1cccn1 12207912 UEYLGCJDMRWZJA-AWEZNQCLSA-N 322.368 2.948 0 50 DFAA O=C(CC[C@@H]1CCCN(C(=O)c2ccco2)C1)N1CCCC1 12574741 CZIRSDJZCHPOPQ-AWEZNQCLSA-N 304.390 2.534 0 50 DFAA O=C1CC[C@H](c2nc(-c3cccnc3Oc3ccccc3)no2)N1 19145970 OVPGOJZIMRTVHC-CYBMUJFWSA-N 322.324 2.875 0 50 DFAA CCN1CCC[C@@H](N2CCC(CO)(Cc3ccccc3)CC2)C1 19745196 ZKULERBGXDGILT-LJQANCHMSA-N 316.489 2.788 0 50 DFAA c1cc(-c2nccn2[C@@H]2CCc3c[nH]nc3C2)n2nccc2c1 1857727145 LWXYUPLTANSHDP-CQSZACIVSA-N 304.357 2.651 0 50 DFAA COc1ccc([C@@H](C)CN2CCOC[C@@H]2c2nc(C)no2)cc1 225481413 MCIUKVVYQDOTDT-BLLLJJGKSA-N 317.389 2.564 0 50 DFAA CCS(=O)(=O)c1ccc(N(C)CCc2ncc(C)s2)cc1 225521819 USCFLADSRBFDFZ-UHFFFAOYSA-N 324.471 2.924 0 50 DFAA CCc1ccc(CC)c(NS(=O)(=O)c2c(C)cnn2C)c1 330570354 CPWVFLGSOYWCIK-UHFFFAOYSA-N 307.419 2.654 0 50 DFAA C1=C[C@H](N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)CCC1 253416329 BWRXUYCRPPHTBN-ZWKOTPCHSA-N 324.428 2.808 0 50 DFAA Cc1ccc(S(=O)(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)o1 908297553 IFTFDRXQSMUJAM-LBPRGKRZSA-N 323.418 2.624 0 50 DFAA OC[C@H]1CCN(Cc2cccc3c2oc2ccccc23)C[C@H]1O 1139857054 YQXKEDXIGZEVEW-RHSMWYFYSA-N 311.381 2.761 0 50 DFAA CCn1cc(C(=O)Nc2ccccn2)c(=O)c2cc(OC)ccc21 12324805 WQGKNHWQUQIHNZ-UHFFFAOYSA-N 323.352 2.677 0 50 DFAA CCOc1cc(CN2C[C@H](C(=O)O)CCC23CCC3)ccn1 2325798331 NSTSXSCAADWFCY-CQSZACIVSA-N 304.390 2.700 0 50 DFAA COc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC 186289 DYXQPMXRWQFJGI-UHFFFAOYSA-N 320.433 2.743 0 50 DFAA O=C(c1ccccc1)c1ccc(OC(=O)N2CCOCC2)cc1 317278 WGSPRCXHEHHFLW-UHFFFAOYSA-N 311.337 2.749 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(COCC(F)(F)F)o2)C[C@H](C)O1 468230 BHLNMIAQNJIKQH-UWVGGRQHSA-N 321.295 2.608 0 50 DFAA COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCCC1 609245 LQYIQOOBOZTJLI-UHFFFAOYSA-N 303.811 2.832 0 50 DFAA Cc1ccc(-c2noc(CSc3nc(C)cc(=O)[nH]3)n2)cc1 1015229 WGWFBXWNRIAAFX-UHFFFAOYSA-N 314.370 2.729 0 50 DFAA Clc1cccc(-c2nnc3sc(-c4cnccn4)nn23)c1 2200936 LJIAYYXONWXNHH-UHFFFAOYSA-N 314.761 2.963 0 50 DFAA Cc1cc(S[C@@H](C)C(=O)N2CCOCC2)nc2ccccc12 9593787 KNQZYJMTPPXBGE-ZDUSSCGKSA-N 316.426 2.883 0 50 DFAA CCn1cc(CCN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 348318184 OSFDXYNQVNPDKB-PBHICJAKSA-N 321.371 2.532 0 50 DFAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OC 4119196 MOOCTZBECICCOY-BXUZGUMPSA-N 317.385 2.914 0 50 DFAA c1ccc(CO[C@H]2CCCN(Cc3cccc4nonc34)C2)nc1 215277684 FQWZOHBPIARYPF-INIZCTEOSA-N 324.384 2.799 0 50 DFAA Cn1ccnc1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 71278722 BYNQYRZOWYKYGQ-RBUKOAKNSA-N 321.424 2.924 0 50 DFAA COc1cccc(C2CCN(CCCN3CCOCC3)CC2)c1 173594254 WXXBYKFJNFNILV-UHFFFAOYSA-N 318.461 2.597 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@H](c2ncc[nH]2)C1 77485315 PHMNSJGYBOVLMW-LBPRGKRZSA-N 319.792 2.717 0 50 DFAA COc1ccc(OC2CCN(Cc3cnn(C)c3C)CC2)cc1 72137385 LSEIDKQHWSWQMW-UHFFFAOYSA-N 315.417 2.781 0 50 DFAA COc1ccc(CN(C)Cc2c(C)cnn2C)c2cccnc12 216094410 BIDJWXPPNLXNKX-UHFFFAOYSA-N 310.401 2.917 0 50 DFAA O=C(c1cc(F)ccc1-c1ccoc1)N1C[C@@H](O)C2(CC2)C1 375676855 WTRLDBAWYIZECM-OAHLLOKOSA-N 301.317 2.683 0 50 DFAA Cc1ccc2oc(N3CC[C@@](O)(CN4CCCCC4)C3)nc2c1 77469957 APTIMFBAZACRJU-GOSISDBHSA-N 315.417 2.563 0 50 DFAA COC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2)cc1 13746907 ZVFCPNMTVCIZAX-UHFFFAOYSA-N 302.305 2.934 0 50 DFAA CC(C)c1cc(N[C@@H](c2ncnn2C)C(C)C)n2nccc2n1 72145254 QYZLILQFEWZWEG-OAHLLOKOSA-N 313.409 2.790 0 50 DFAA CC(C)n1cnc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 337271713 BUKQHDDMFDDTPH-BMFZPTHFSA-N 305.422 2.620 0 50 DFAA COc1nc2c(cc1C(=O)N1CCC[C@@H]1c1ccccn1)CCC2 72410239 TWMGXEYBZDVPCJ-QGZVFWFLSA-N 323.396 2.951 0 50 DFAA CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)C1CC1)C2 72138720 SFYFOFKXXIBLLZ-UHFFFAOYSA-N 322.412 2.504 0 50 DFAA Cc1ncsc1CNC(=O)N[C@H]1c2ccccc2O[C@H]1C 341268300 DRULBRQPPLEYKB-IINYFYTJSA-N 303.387 2.773 0 50 DFAA Cc1nnc(N2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)o1 343562397 FMWAZNXKWMAJEB-VIFPVBQESA-N 315.299 2.514 0 50 DFAA Cc1cc(N2CCCN(C(=O)NCCC(C)C)CC2)ccn1 426509497 PEMCKMUMUBDBIJ-UHFFFAOYSA-N 304.438 2.658 0 50 DFAA CNC[C@@H]1CCCN(C(=O)/C=C(\C)c2ccccc2OC)C1 178338278 WXANVOJONCDPFG-GOFCXVBSSA-N 302.418 2.557 0 50 DFAA CNC[C@H]1CCCN(C(=O)c2cccn2Cc2cccs2)C1 178339166 LZWJOOAUKQHOLD-CQSZACIVSA-N 317.458 2.670 0 50 DFAA CCC[C@@H]1CN(c2ccc(CSC)cn2)C[C@H]1NC(C)=O 82138393 ZCBPXJPBIIXKTD-HUUCEWRRSA-N 307.463 2.686 0 50 DFAA CC1(C)C[C@H](NC(=O)c2c[nH]nc2-c2ccc(F)cc2)CO1 617059604 YNBPYNAZBOSKJQ-LBPRGKRZSA-N 303.337 2.513 0 50 DFAA Cc1ccc(C)c(OCCN(C)C(=O)NC[C@@H]2CCCCO2)c1 426707361 FXWBHPFODVGHLW-INIZCTEOSA-N 320.433 2.893 0 50 DFAA CCC/C=C/[C@@H](C(=O)O)N1CCC(O)(c2ccccc2)CC1 95391171 NIRGZCUIHKAVDQ-YKXBDCQTSA-N 303.402 2.780 0 50 DFAA CC(C)c1cc(C(=O)NCCC2=CCCCC2)nc2ncnn12 91746552 NYIWTHKRDDIPCL-UHFFFAOYSA-N 313.405 2.868 0 50 DFAA CCN(CC(F)(F)F)C(=O)c1cnc(-c2cccnc2)nc1 97680007 IMLNTLODWQSJQZ-UHFFFAOYSA-N 310.279 2.563 0 50 DFAA O=C(O)C1(Cn2cc(-c3ccc(Cl)nc3)nn2)CCCC1 95362677 UMANFPCPZBFROZ-UHFFFAOYSA-N 306.753 2.639 0 50 DFAA c1ccc(-c2ncc3c(n2)CCC[C@@H]3NC2CCNCC2)cc1 91664990 VKWJVBIJSHEJLS-KRWDZBQOSA-N 308.429 2.863 0 50 DFAA CCc1[nH]nc(C(=O)N[C@@H](CCN(C)C)c2ccccc2)c1C 97674257 VLWOHBLPFBZOLY-INIZCTEOSA-N 314.433 2.703 0 50 DFAA Cc1cccc(C(C)C)c1NC(=O)CN(C)Cc1ncc[nH]1 244673972 HZBPMOAGZFGEQE-UHFFFAOYSA-N 300.406 2.912 0 50 DFAA COc1cc([C@H](O)COc2ccccc2)cc(OC)c1OC 222788276 ZWJKJZNLPNAIIR-CQSZACIVSA-N 304.342 2.825 0 50 DFAA O=C(NCC(c1ccccc1)c1ccccc1)N1CC[C@@H](CO)C1 265969264 TYTPBFIALBLZNP-MRXNPFEDSA-N 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2.867 0 50 DFAA Cc1nc(-c2ccc(Cn3ccnc3-c3[nH]cnc3C)cc2)no1 77523261 DAICQCXWNHUZBI-UHFFFAOYSA-N 320.356 2.988 0 50 DFAA O=C1NCCCc2[nH]c([C@H]3CCCN(C4CCCCC4)C3)nc21 215212884 YJWKORJJLJOYDF-ZDUSSCGKSA-N 316.449 2.598 0 50 DFAA Cc1cnc(CN(C)C(=O)C2(N3CCCCC3)CCCCC2)[nH]1 215260476 NAASLCJMNBRAPJ-UHFFFAOYSA-N 318.465 2.865 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCCN1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 240756936 HVODARJXFICTGP-XAJHFOFHSA-N 308.466 2.700 0 50 DFAA Cc1nn(Cc2ccccc2Cl)c(C)c1NS(C)(=O)=O 14223405 HTIGGPMLUUXYSD-UHFFFAOYSA-N 313.810 2.573 0 50 DFAA Cc1cn2cc(C(=O)N(C)CC[C@H](O)c3ccccc3)ccc2n1 82109491 MSOSJBHSQCGMTL-KRWDZBQOSA-N 323.396 2.838 0 50 DFAA Cc1csc(CCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)n1 263450294 SBUFCLDLYOKIFA-AGIUHOORSA-N 322.430 2.628 0 50 DFAA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ccc(F)cc1 222307344 KKGKKLWGNRLNIR-HZPDHXFCSA-N 307.365 2.530 0 50 DFAA CC1CCN(C2CCC(Nc3nc(C(N)=O)cs3)CC2)CC1 293027556 KYZASCKDMQSTCX-UHFFFAOYSA-N 322.478 2.697 0 50 DFAA 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CN(C)c1ncnc2c1ncn2Cc1ccc(F)c(Cl)c1 188991871 UYXOLICQMHKAER-UHFFFAOYSA-N 305.744 2.733 0 50 DFAA Cc1csc2c(N3CCC(Cn4ccnn4)CC3)ncnc12 189988372 UPLFTHXWXGDCPW-UHFFFAOYSA-N 314.418 2.508 0 50 DFAA CC(C)(C)c1cc(C(=O)N[C@@H](CCCN)c2ccccc2)[nH]n1 643601441 ZWSIUEKHPUJMGR-AWEZNQCLSA-N 314.433 2.917 0 50 DFAA O=C(O)C1(C(=O)NCc2ccc(OC3CCCC3)cc2)CCC1 649246864 KCSXIMFEJQSOLJ-UHFFFAOYSA-N 317.385 2.879 0 50 DFAA O=C([C@@H]1CCC[C@@H](O)C1)N1Cc2ccc(Br)cc2C1 1857531129 QCPAHWXUZAJDDF-QMTHXVAHSA-N 324.218 2.842 0 50 DFAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3nccs3)C1)CC2 1704311724 ANJTZLSRPZYAQU-INIZCTEOSA-N 300.431 2.722 0 50 DFAA Cc1cc(Br)ccc1C(=O)N1CC[C@H](N)C[C@@H]1C 124782311 HKZSWPJUICZRBF-JQWIXIFHSA-N 311.223 2.709 0 50 DFAA COc1ncc(C)cc1NC(=O)c1ccc(Br)cn1 348973298 UKHHXIQHSHYPJN-UHFFFAOYSA-N 322.162 2.808 0 50 DFAA COc1cc2c(cc1OC)CC(=O)N(C(=O)OC(C)(C)C)CC2 5481442 CBBAMAVUAUPZSA-UHFFFAOYSA-N 321.373 2.566 0 50 DFAA O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc2ccccc12 5739929 LFYDLLXEUCBXKS-GFCCVEGCSA-N 304.367 2.570 0 50 DFAA Cc1ccc(OCC(=O)NC2CCN(C(C)C)CC2)cc1C 16605672 SPNBZHHRPVBSSH-UHFFFAOYSA-N 304.434 2.671 0 50 DFAA OCC[C@@H]1CN(Cc2ccccc2)CCN1C1CCCCC1 19227003 ZVALMMBRPMAOIR-LJQANCHMSA-N 302.462 2.888 0 50 DFAA O=C(c1cccs1)N1CCN(Cc2cccc(F)c2)CC1 19787581 FOSUKGSUFJMREI-UHFFFAOYSA-N 304.390 2.845 0 50 DFAA COc1ccccc1Cn1nc(C)nc1-c1cc(C2CC2)nn1C 1857677619 KCLCUPOWRFBWPX-UHFFFAOYSA-N 323.400 2.921 0 50 DFAA Cc1nccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)n1 1857683411 SJLVCEQRTXTWOD-DOTOQJQBSA-N 311.433 2.913 0 50 DFAA COc1cc(C)c(CN2C[C@H]3CCCN3C(=O)[C@@H]2C)cc1C 1857689375 BUYJSAJCVBKZOF-GOEBONIOSA-N 302.418 2.507 0 50 DFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2ccoc2Cl)nn1 643888377 HLRCXBAMXOGVIR-LBPRGKRZSA-N 320.780 2.766 0 50 DFAA COCc1n[nH]c(C)c1-c1ccc([C@H](C)N2CCOCC2)cc1 426593894 XKPHODAMDPNWHZ-AWEZNQCLSA-N 315.417 2.925 0 50 DFAA COc1ccc(C2CCN(Cc3nc(N(C)C)no3)CC2)cc1 328586653 SSOKBDUFQGMRCO-UHFFFAOYSA-N 316.405 2.524 0 50 DFAA Cc1ccc(OCCCC(=O)N2CC[C@H](N)C[C@@H]2C)cc1C 237486939 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CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 108762 FPGMTESZAYZWNV-CYBMUJFWSA-N 308.765 2.920 0 50 DFAA Cc1ccc(C)c(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1 1072351 AAQWTUUEADRPSD-QGZVFWFLSA-N 322.408 2.973 0 50 DFAA CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccn1 7381620 ZXBRENQTBFPENX-CQSZACIVSA-N 300.358 2.564 0 50 DFAA O=C(Nc1ccccc1CN1CCOCC1)[C@@H]1CC=CCC1 55815907 WIVQUWFMVFOZIS-OAHLLOKOSA-N 300.402 2.814 0 50 DFAA CC(C)(C)OC(=O)N1CCN(Cc2ccc(C=O)cc2)CC1 20230752 UMXKYTSTYWRBBK-UHFFFAOYSA-N 304.390 2.552 0 50 DFAA Cc1cc([C@H](C(=O)O)N(Cc2nccn2C)C2CC2)ccc1F 63882234 DYJADTXKHMYHEF-MRXNPFEDSA-N 317.364 2.658 0 50 DFAA CCc1nnc(CN(C(=O)c2cc(C(C)C)nn2C)C(C)C)o1 65435903 NEPRXCZRPUMAMC-UHFFFAOYSA-N 319.409 2.540 0 50 DFAA Cc1ccc2occ(CN3CCN4CCC[C@@H]4[C@@H]3C)c(=O)c2c1 22078388 QDQPHCMTLITCIU-WMLDXEAASA-N 312.413 2.770 0 50 DFAA CN(C)C(=O)c1cc(C(=O)c2ccccc2Br)c[nH]1 3069907 WPGVGOHWVSPESL-UHFFFAOYSA-N 321.174 2.710 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N1c2ccccc2NC(=O)[C@H]1C 371937166 KKTTYBZNJBPEIA-SNVBAGLBSA-N 311.341 2.848 0 50 DFAA Cc1ccc(CCC(=O)N2CC[C@H](c3nc(C)no3)C2)c(C)c1 331546931 IOEJXVHXKDOHIV-INIZCTEOSA-N 313.401 2.944 0 50 DFAA COc1ccccc1CCC(=O)N1CCC[C@H]1[C@H]1CCCO1 284607846 IFOQHYFYUKUAIJ-DOTOQJQBSA-N 303.402 2.798 0 50 DFAA CN1CC[C@H]2CC[C@@H](C1)N2Cc1nn(C)c2cccc(Cl)c12 215796206 DNXLNEPEAVWYOS-OLZOCXBDSA-N 318.852 2.895 0 50 DFAA Cc1nc(C(C)C)oc1C(=O)NC1CCC(CN(C)C)CC1 343385546 PSPVVSCVAKZONW-UHFFFAOYSA-N 307.438 2.957 0 50 DFAA O=C(O)C[C@@H]1COCCN1Cc1ccc2c(c1)Cc1ccccc1-2 72167699 DIDALCKOZUAAQI-QGZVFWFLSA-N 323.392 2.933 0 50 DFAA CC(=O)Nc1ccsc1C(=O)N(C)C1Cc2ccccc2C1 71749593 PFTPIPFTIQZSFQ-UHFFFAOYSA-N 314.410 2.946 0 50 DFAA O=C(Cc1ccc(O)c(F)c1)N1CCCN(C2CCCC2)CC1 72409813 RNBAPLITGUMDAH-UHFFFAOYSA-N 320.408 2.551 0 50 DFAA O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 241738587 QYTKXMVJTPIYIM-VZZFWQQMSA-N 307.777 2.813 0 50 DFAA O=C(C[C@H]1COCCN1C(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccccc1 246115790 RAPVOFSNQVHPDZ-LISAXSMJSA-N 313.397 2.533 0 50 DFAA Cc1nc2ccccn2c1CC(=O)N1CCOc2ccccc2C1 426545490 VPJNRWALSLLFNA-UHFFFAOYSA-N 321.380 2.606 0 50 DFAA C/C(=C\c1ccccc1)CN1CCC[C@H](n2cc(CO)nn2)C1 293727803 UNLCCOREDOKFEF-KAPURRDVSA-N 312.417 2.511 0 50 DFAA O=C(OCCN1CCOCC1)C1(c2ccccc2)CCCCC1 25756875 RQHKZUBCUZVZEF-UHFFFAOYSA-N 317.429 2.764 0 50 DFAA biogenic,investigational Cc1cccc(COc2cccc(C(=O)N3CC[C@H](N)C3)c2)c1 237653711 XXFGFQLMIXNRCE-KRWDZBQOSA-N 310.397 2.747 0 50 DFAA Cc1nn(CCC(N)=O)c(C)c1-c1cnc2c(C)cccc2c1 426551766 HEYVLMHBSVUSEV-UHFFFAOYSA-N 308.385 2.899 0 50 DFAA C[C@H]1CN(C(=O)CCOc2ccccc2Cl)C[C@@]1(C)CO 620447713 JCOLWMDBSRNQMO-LRDDRELGSA-N 311.809 2.586 0 50 DFAA CCc1nc(N)nc(NCc2ccc(OC)cc2OC)c1C 91505785 YLEKFTSUGWZIDT-UHFFFAOYSA-N 302.378 2.559 0 50 DFAA CN(C)c1nsc(NC[C@H]2CCOc3ccccc3C2)n1 95363166 YHUASUNHYDTKGA-NSHDSACASA-N 304.419 2.657 0 50 DFAA CCCN1CCC[C@]2(CCN(c3ccc(Cl)cn3)C2)C1=O 95384301 IODLNGKAOHEACA-MRXNPFEDSA-N 307.825 2.964 0 50 DFAA O=C1C[C@H](C(=O)NCCCc2ccc(F)cc2)C2(CCCC2)O1 97394487 DKEDFDLMQRPCKG-OAHLLOKOSA-N 319.376 2.750 0 50 DFAA COc1ccccc1C1CCN([C@H](C)C(=O)N2CCCC2)CC1 244646897 GRBOMQPBNUALFR-OAHLLOKOSA-N 316.445 2.886 0 50 DFAA CSc1cccc(CN(C)C(=O)NC[C@@H](C)CN(C)C)c1 534664782 SQBPODUIHHLQLX-CYBMUJFWSA-N 309.479 2.748 0 50 DFAA COc1ccc(Cc2n[nH]c(CC[C@@H]3CCCN(C)C3)n2)cc1 824674607 SKXJDWCRAKNCJL-HNNXBMFYSA-N 314.433 2.679 0 50 DFAA CCOC(=O)[C@@](NCc1cscn1)(C1CCC1)C(F)(F)F 585117303 XQIXORDLRFCAJG-LBPRGKRZSA-N 322.352 2.897 0 50 DFAA Cc1nnc(N2CCC[C@@H](c3nc(CC(C)C)no3)C2)s1 670455952 AYQUKBRWOVRKHQ-LLVKDONJSA-N 307.423 2.812 0 50 DFAA O=C(Cc1nc(C2CCCC2)cs1)Nc1c[nH]ccc1=O 952994678 TWDZAEWJZRFSFP-UHFFFAOYSA-N 303.387 2.670 0 50 DFAA C[C@@H](NCc1ncnn1C(C)(C)C)C1=Cc2ccccc2OC1 1875285787 ZBXIYJQZTFJSGB-CYBMUJFWSA-N 312.417 2.987 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CN(CCO)C2CC2)C1 1875317975 ILTRXZPVZOQDQM-KBPBESRZSA-N 312.454 2.527 0 50 DFAA O=C(CC1CCCC1)NC[C@@H]1CCCN(C(=O)C2CC=CC2)C1 952965599 AWQDJQYCSMQBQW-INIZCTEOSA-N 318.461 2.888 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)C2CCCCC2)C1 958528273 PKAXUYMUOOBQHI-YOEHRIQHSA-N 312.454 2.656 0 50 DFAA CC(=O)N1C[C@@H](NCc2ccc(C)o2)CC[C@H]1C(F)(F)F 886038126 NNFNDWSAWDOCOX-AAEUAGOBSA-N 304.312 2.619 0 50 DFAA O=C(NCCc1cncnc1)N1CCC[C@H]1CC1CCCC1 888100090 IVDRNFRACSDUIR-INIZCTEOSA-N 302.422 2.773 0 50 DFAA COc1ccc2c(c1)CN(c1cc(N)ncc1Cl)CCO2 894073917 BTVWXMQBVYXITE-UHFFFAOYSA-N 305.765 2.725 0 50 DFAA O=C1CC[C@@H](Nc2cc(C(F)F)ncn2)[C@H](c2ccccc2)N1 894211856 DQCHQFZRKCVPCF-ABAIWWIYSA-N 318.327 2.846 0 50 DFAA C[C@@H](NC(=O)c1ccnc(O)c1)c1ccc(C(F)(F)F)nc1 1363559527 OIKGRFFTNKBXOX-MRVPVSSYSA-N 311.263 2.692 0 50 DFAA O=C1c2ccccc2C(=O)N1CCCS[C@@H]1CCCOC1 272469029 PBHHOPHYUYVCCN-GFCCVEGCSA-N 305.399 2.585 0 50 DFAA Cc1noc([C@H]2CCCN(c3cc(Br)ccn3)C2)n1 274657054 IFXDHUMBUVJBEF-JTQLQIEISA-N 323.194 2.920 0 50 DFAA CC[C@@H]1CN(c2ncc(C(F)(F)F)s2)CCN1CCOC 302658372 ALGHOAKGLCLLHM-SNVBAGLBSA-N 323.384 2.709 0 50 DFAA COc1cccc(CCNc2nccn3c(C4CC4)nnc23)c1 170596843 YRZCICHKLSKBEO-UHFFFAOYSA-N 309.373 2.665 0 50 DFAA Cc1ccc(C)c(SCc2noc([C@@H]3CC(=O)N(C)C3)n2)c1 225588521 AQQWDXWVUCBMFK-GFCCVEGCSA-N 317.414 2.924 0 50 DFAA CNc1cc(C(=O)Nc2ccnn2CC(C)C)cc(Cl)n1 111556585 MVHITLILJBGVTR-UHFFFAOYSA-N 307.785 2.882 0 50 DFAA CCN1CN(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1=O 191994047 MHQJMEWQWIWOAU-UHFFFAOYSA-N 309.369 2.592 0 50 DFAA Cc1cnc(NC(=O)[C@H]2CCCO[C@H]2C)c(Br)c1 191934201 QUSJUHWVMVFWFG-UWVGGRQHSA-N 313.195 2.906 0 50 DFAA O=C(NCc1ccccc1)[C@@H]1CCN(CC2CC(F)(F)C2)C1 646058448 DONMNQYGZGXTJP-OAHLLOKOSA-N 308.372 2.670 0 50 DFAA CC(=O)Nc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1C 195329514 RKJHPWSJFVTLQO-UHFFFAOYSA-N 315.417 2.766 0 50 DFAA CC(C)(C)n1cnc(NC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)n1 654036680 GRCZJSJAHHWBFG-CHWSQXEVSA-N 321.425 2.502 0 50 DFAA CCn1c(O)nc2cc(C(=O)N(C)Cc3ccoc3C)ccc21 667076940 DTQOAVDRMNILEY-UHFFFAOYSA-N 313.357 2.935 0 50 DFAA Cc1c[nH]nc1C(=O)Nc1ccc(OCc2ccncc2)cc1 669441830 JFUVMQIXANTHSV-UHFFFAOYSA-N 308.341 2.944 0 50 DFAA CN(Cc1nc(Cl)cs1)CC(C)(C)CN1CCOCC1 585117357 ZFOQWIBREOGOJE-UHFFFAOYSA-N 317.886 2.587 0 50 DFAA CCOc1ccc(C(=O)N2CCOc3ccc(F)cc3C2)cn1 585387793 CVXLFXRVOLTUPO-UHFFFAOYSA-N 316.332 2.654 0 50 DFAA Cc1ccc(-c2cnc(Cn3ncc4c3C[C@H](O)CC4)o2)cc1 682188789 GLBXWGCHDLEAER-OAHLLOKOSA-N 309.369 2.744 0 50 DFAA CCCn1nc(C)c(NC(=O)CCN2CCCCCC2=O)c1C 1506402081 LWVATGGGNMLRTP-UHFFFAOYSA-N 320.437 2.641 0 50 DFAA O=C(CC1CCCC1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529169304 UTAMBQLNVHCYRV-SJLPKXTDSA-N 303.402 2.528 0 50 DFAA O=C(N[C@H]1CS/C(=C/c2ccccc2)[C@H]1O)c1ccccc1 5092500 UZBLNGWIYWKEKG-UDWOBVKHSA-N 311.406 2.934 0 50 DFAA COC[C@@H](C)N1C(=O)N[C@H]2C[C@@]1(C)Oc1c(F)cc(F)cc12 1615613030 PBSCAAXRRGYEBI-IPZIOGDXSA-N 312.316 2.565 0 50 DFAA Nc1ncc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)o1 1615606308 YOCLKKYYCCTAHQ-LLVKDONJSA-N 303.387 2.511 0 50 DFAA COC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)O)c1 1616035342 YAPYUQQLZLUEKL-FZMZJTMJSA-N 321.377 2.632 0 50 DFAA Cc1oc(-c2ccc(F)cc2)nc1CN1C[C@H]2C[C@@H](O)[C@H]2C1 1772711442 UHFOTEVIVMHFHO-IVMMDQJWSA-N 302.349 2.602 0 50 DFAA Cc1ccccc1-n1nnc(C(=O)Nc2ccccc2F)c1N 11692995 WNGYUSQLUYEPPH-UHFFFAOYSA-N 311.320 2.549 0 50 DFAA CCc1cn[nH]c1C1CCN(C(=O)/C=C/c2ccncc2)CC1 11789836 KMSAWBOMIQJSRM-ONEGZZNKSA-N 310.401 2.787 0 50 DFAA CCSc1nnc([C@H](C)NC(=O)c2ccc(F)cc2)n1C 12150145 LZXQEDCULNXWQH-VIFPVBQESA-N 308.382 2.557 0 50 DFAA O=C(CC[C@H]1CCCN(C(=O)C2=CCCC2)C1)N1CCCC1 12298609 PRNRSKSPPJDPJA-OAHLLOKOSA-N 304.434 2.738 0 50 DFAA CC(C)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 19789910 AGYRXUZTFBOLMO-UHFFFAOYSA-N 301.478 2.677 0 50 DFAA O=C1C[C@@H](c2noc(-c3ccoc3)n2)CN1C1CCCCC1 169762140 MVVLHBORNNJDNS-GFCCVEGCSA-N 301.346 2.978 0 50 DFAA NS(=O)(=O)c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 169811125 IRJYULZSGBLVPL-UHFFFAOYSA-N 318.276 2.540 0 50 DFAA Cc1cc2c(cn1)CN(C(=O)c1cc(C)nc3onc(C)c13)C2 1857677463 CTACFTNYWYDKBW-UHFFFAOYSA-N 308.341 2.699 0 50 DFAA Cc1ccc2cc(-c3nccn3[C@H]3CCN(C)C3=O)c(O)nc2c1 1857677676 MBGITFACWXZJBE-HNNXBMFYSA-N 322.368 2.516 0 50 DFAA Cc1nc(C[C@@H]2CCCN(c3ncc(C(F)F)cn3)C2)no1 450312987 JNUXMBXSKJFDMZ-JTQLQIEISA-N 309.320 2.565 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 238100273 HTOHMCUIODKWKW-NSHDSACASA-N 303.289 2.632 0 50 DFAA COc1ccc(CCN2CCC([C@@H]3C[C@H]3C(=O)O)CC2)cc1 2325773045 LQANEINWQHBFBL-DLBZAZTESA-N 303.402 2.670 0 50 DFAA Cn1nc2c(c1C(=O)OC[C@@H]1C[C@H]3C[C@H]1[C@H]1C[C@@H]13)CSCC2 2325790786 LBDWOULEZLSFAZ-KIJLLGNVSA-N 318.442 2.658 0 50 DFAA Cn1c(NC(=O)N2CCCC2(C)C)nc2cc(C(=O)O)ccc21 2325803063 NUHKZUKEQNKRHT-UHFFFAOYSA-N 316.361 2.678 0 50 DFAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1cccn2nccc12 1433445805 DOAOPQXXVWVGFV-CABCVRRESA-N 301.390 2.658 0 50 DFAA O=C(Nc1cc2ccccc2nn1)N1CCOC[C@H]1CC1CC1 931798673 DILBLGAITBCZHO-CQSZACIVSA-N 312.373 2.663 0 50 DFAA CCCN1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1 279851 BKBXULSSBMLYIY-UHFFFAOYSA-N 305.441 2.822 0 50 DFAA CCc1oc2ccccc2c1CN1CCN2[C@@H](C)COC[C@H]2C1 2356163476 FLCKMEVRRNJXJL-LSDHHAIUSA-N 314.429 2.900 0 50 DFAA Brc1nc(Br)n([C@@H]2CCCCO2)n1 2518811 OUOQLEMKKVUYLC-YFKPBYRVSA-N 310.977 2.502 0 50 DFAA Cc1c(C(=O)Nc2ccc(Cl)cc2)sc(N)c1C(N)=O 2910071 WNFUCGMYCQWXBL-UHFFFAOYSA-N 309.778 2.643 0 50 DFAA CCOc1ccccc1NC(=O)c1ncn(-c2ccccc2)n1 4866232 JYHAYKMXMYBGDP-UHFFFAOYSA-N 308.341 2.918 0 50 DFAA CN(Cc1ccccc1-n1cccn1)C(=O)c1cc(C2CC2)n[nH]1 67880140 HOOCHZDFEOXEBD-UHFFFAOYSA-N 321.384 2.745 0 50 DFAA Fc1cccc(-c2noc([C@]3(C(F)(F)F)CCNC3)n2)c1 111240811 ZYRPHJZNPSNMBM-LBPRGKRZSA-N 301.243 2.669 0 50 DFAA CC(C)N1CC[C@@H](CNC(=O)c2cc(-c3ccsc3)[nH]n2)C1 67833457 LGNWCCLPLXJSSW-LBPRGKRZSA-N 318.446 2.598 0 50 DFAA CCSc1nc2ncc3c(=O)n(-c4ccccc4)ccc3n2n1 30875471 ARDBRAFTOVCLHH-UHFFFAOYSA-N 323.381 2.540 0 50 DFAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCC(C)(C)C2)n[nH]1 351550737 PEUWSZOCYYTKRF-GFCCVEGCSA-N 315.421 2.736 0 50 DFAA COCc1ncc(CN(C)Cc2cccc3ncccc23)cn1 72174344 SZRURJCDDJKJDW-UHFFFAOYSA-N 308.385 2.803 0 50 DFAA C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 252486107 FRZVQQICLLEHIQ-ZHAHWJHGSA-N 315.291 2.646 0 50 DFAA Cc1nnsc1CN(C)C(=O)c1ccc([C@@H]2CCCN2)s1 71575426 PINQULGFFQDVNV-JTQLQIEISA-N 322.459 2.605 0 50 DFAA O=C(c1ccc(Cl)cc1Br)N1CCC[C@@H]1CO 154099924 RLUXSMWLZLJWFV-SECBINFHSA-N 318.598 2.699 0 50 DFAA CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](C(=O)O)C2)cc1 236802464 FOPZERDYMHYRKS-PMPSAXMXSA-N 301.386 2.847 0 50 DFAA Cc1cc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccn1 333269605 VVRUZSPDBSMTJB-ARFHVFGLSA-N 315.417 2.537 0 50 DFAA Cc1cccc2c(CC(=O)NC3(CC(=O)O)CCC3)c[nH]c12 262493668 MKCKMVVDURNTFO-UHFFFAOYSA-N 300.358 2.532 0 50 DFAA COc1ccc2ccccc2c1CN(C)C[C@H]1COCCO1 215782446 FVPHRMDAALWUEZ-HNNXBMFYSA-N 301.386 2.696 0 50 DFAA CCc1cc(=O)n(CCOc2ccccc2Br)cn1 159172273 FWRXWBAGDWCISY-UHFFFAOYSA-N 323.190 2.647 0 50 DFAA Cc1cnc(CN2CCC3(CC2)OCCc2ccccc23)cn1 453579744 SBSHSIDUAXIDFN-UHFFFAOYSA-N 309.413 2.849 0 50 DFAA O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1ccccn1 72157501 IOYJUUGEIQDXKD-MRXNPFEDSA-N 302.399 2.749 0 50 DFAA O=c1cc(N2CCCCC2)cnn1CCCOc1ccccc1 72144066 NUCXGICTAATMGK-UHFFFAOYSA-N 313.401 2.703 0 50 DFAA Cc1noc(C(C)(C)NC(=O)Nc2nc(C(C)(C)C)ns2)n1 284478545 AQAQMZKQRNRHQU-UHFFFAOYSA-N 324.410 2.584 0 50 DFAA Cc1csc(SCC(=O)N(C)[C@H]2CCOC(C)(C)C2)n1 220196287 DCSUREYKHNKCHM-NSHDSACASA-N 314.476 2.960 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2c(C)n[nH]c2C)C12CCCC2 172724855 RPPZVWRPJUTYLA-HZPDHXFCSA-N 319.449 2.765 0 50 DFAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 173443032 LLOOTNHGQLFYBF-LLVKDONJSA-N 310.401 2.879 0 50 DFAA Cc1cc(C)c(C(=O)NC2CCN(Cc3cccnc3)CC2)o1 175381451 WQUAWVCSGLCZTI-UHFFFAOYSA-N 313.401 2.686 0 50 DFAA O=C(CCc1nnc[nH]1)N(C1CC1)[C@@H]1CCCc2ccccc21 175867082 CZLKXZOISHJZGK-MRXNPFEDSA-N 310.401 2.806 0 50 DFAA COCCC[C@@H]1CCCN(c2nc3c(s2)c(C)nn3C)C1 95524610 QTQMLSDRMRHICN-LBPRGKRZSA-N 308.451 2.981 0 50 DFAA CC(C)CCC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O 92003818 SNKARFLIJZDNOT-UHFFFAOYSA-N 315.417 2.848 0 50 DFAA CC(C)n1cnnc1CN1CCCN(C2CCCCC2)CC1 244763953 OYJOAFUALMLZKN-UHFFFAOYSA-N 305.470 2.699 0 50 DFAA CCn1nc(CC(C)C)cc1C(=O)NCCc1ccc(C)o1 823599022 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COC(CN1CCC(c2nc3cccc(C)c3o2)CC1)OC 189807796 UVCVCSCXNQAHPI-UHFFFAOYSA-N 304.390 2.935 0 50 DFAA COc1cc(CN2CC(c3noc(C)n3)C2)ccc1OC(C)C 1615585639 JZWNONABAMLVAO-UHFFFAOYSA-N 317.389 2.773 0 50 DFAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)Cc1ccco1 110681802 YISOXBJEUWCPDO-DAXOMENPSA-N 316.357 2.904 0 50 DFAA Cc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)cc1Br 160403688 PWULXNJPQCMQJX-VHSXEESVSA-N 300.196 2.504 0 50 DFAA Cc1c[nH]c(-c2nccn2-c2ccc3c(c2)nc([C@@H](C)O)n3C)n1 1775983774 BFUOIZPSIIEKRJ-LLVKDONJSA-N 322.372 2.511 0 50 DFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1 5155015 YPDAUEUPJDODNR-UHFFFAOYSA-N 323.805 2.717 0 50 DFAA Cc1nnsc1C(=O)N[C@H]1CCCN(C2CCCCCC2)C1 11934698 ZMJHAFJCFNFHOL-ZDUSSCGKSA-N 322.478 2.764 0 50 DFAA O=C(Cn1ccnc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12221893 TWKWBLZASDQNIW-OAHLLOKOSA-N 309.373 2.513 0 50 DFAA CCCc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1 12274783 IEXWBZFVKONNIW-UHFFFAOYSA-N 310.357 2.743 0 50 DFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 13745585 MCPHYBYJVAECQD-LBPRGKRZSA-N 322.430 2.598 0 50 DFAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1 16579824 QQAWWPVTZSRJTF-SNVBAGLBSA-N 324.229 2.592 0 50 DFAA Cc1cnn(CCC(=O)N[C@H](C)c2ccccc2-n2cccn2)c1 153293935 QBNBPSNIXQAOFG-OAHLLOKOSA-N 323.400 2.645 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(CSC)o1 1857680583 LBHKXYCWIIJXRW-PEYYIBSZSA-N 309.431 2.908 0 50 DFAA O=C(O)c1ccc(-c2nccn2[C@@H]2CCC[C@H](CO)C2)cc1 1857741501 VVFJTZAMXFQGHE-SWLSCSKDSA-N 300.358 2.972 0 50 DFAA Cn1cc(N2CCC[C@@H](N3[C@H]4CC[C@H]3c3ccccc34)C2=O)cn1 239366957 AGXKQCXTDQGOJI-OKZBNKHCSA-N 322.412 2.807 0 50 DFAA CCOc1ccccc1CN1C[C@@H]2CC[C@H]1CN(C(C)=O)C2 247932488 KFAXBBIQMLIBNO-WBVHZDCISA-N 302.418 2.528 0 50 DFAA CCc1cc(NC(=O)N(CC)CCc2nccs2)n(C)n1 151028768 FEDNMQJSXFKEIR-UHFFFAOYSA-N 307.423 2.536 0 50 DFAA O=C(O)c1ccccc1C1CCN(C(=O)[C@H]2CCCS2)CC1 372641244 QHIUSNYXPDMEDF-OAHLLOKOSA-N 319.426 2.986 0 50 DFAA CC1=CC2(CCN(C(=O)Cc3csc(C)n3)CC2)OCC1 1704326704 LQNZDYPJVYQUAC-UHFFFAOYSA-N 306.431 2.722 0 50 DFAA O=C(c1cc2ncccc2o1)N1CCC2(CCOCC2)CC1 935883517 MMAQHAWHMUFGFX-UHFFFAOYSA-N 300.358 2.861 0 50 DFAA C[C@@H]1CN(C(=O)c2cc(Cl)cc(F)c2N)Cc2c[nH]nc21 863981601 IQBMSJMZQPYTBL-SSDOTTSWSA-N 308.744 2.544 0 50 DFAA C[C@H]1CN(C(=O)c2cc(Cl)cc(F)c2N)Cc2c[nH]nc21 863981602 IQBMSJMZQPYTBL-ZETCQYMHSA-N 308.744 2.544 0 50 DFAA COCC[C@H](C)N(C=O)Cc1ccnn1-c1ccccc1C 1875325605 QLDLQBLYJCYHIE-HNNXBMFYSA-N 301.390 2.564 0 50 DFAA Cc1n[nH]c2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ncc12 1875316651 FKCGDJUQKFIKES-CQSZACIVSA-N 306.369 2.896 0 50 DFAA CC(C)(NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nc[nH]n1 1775987221 OQZYMWPRHQOMAX-UHFFFAOYSA-N 317.780 2.533 0 50 DFAA OC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1cnn(Cc2ccccc2)c1 2100557118 NAUMNYXYPHPNML-LUPIEILUSA-N 311.429 2.667 0 50 DFAA CN(C(=O)C1(c2nn[nH]n2)CCCC1)C1CCCCCCC1 2325807152 DZFRPNYFLALYSG-UHFFFAOYSA-N 305.426 2.583 0 50 DFAA N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C[C@H]12 248653922 VRPRFBYKFOYADV-OUJBWJOFSA-N 316.298 2.654 0 50 DFAA Cc1cc(C)c(NC(=O)[C@H]2CCCN2CCCN(C)C)c(C)c1 214205 CJDMMBNLLKAYET-QGZVFWFLSA-N 317.477 2.966 0 50 DFAA CC(C)(C)OC(=O)NCc1ccc(-c2nc(CO)co2)cc1 2513047 JYZTZMUAERUOOX-UHFFFAOYSA-N 304.346 2.859 0 50 DFAA CCN1C(=O)N[C@@H](c2cc(C)ccc2C)C(C(=O)OC)=C1C 2868760 DGXINHBPBXOCJR-HNNXBMFYSA-N 302.374 2.837 0 50 DFAA C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccccc1 4942736 UIKCJBGQQFMWLO-KBPBESRZSA-N 312.369 2.530 0 50 DFAA Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccnc2)n1 4998392 QRVLJXNWKWEPCR-GFCCVEGCSA-N 308.341 2.931 0 50 DFAA COc1ccccc1CCNS(=O)(=O)c1ccc(C)cc1 6699302 DLVRAFDFBWHTGX-UHFFFAOYSA-N 305.399 2.525 0 50 DFAA O=S(=O)(Nc1ccc(Cl)cn1)c1cc(F)ccc1F 6699770 YDVZJUOTDXTFLP-UHFFFAOYSA-N 304.705 2.814 0 50 DFAA C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CCCO1 6728761 MJIDAZCDCDHYCT-LRDDRELGSA-N 305.399 2.686 0 50 DFAA Cc1ccc(Cn2ncc3c(NCCCN(C)C)ncnc32)cc1 6760316 UGQSOEXRTMESPZ-UHFFFAOYSA-N 324.432 2.547 0 50 DFAA Cn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 100452748 SQVQFMISBAWSTI-UHFFFAOYSA-N 312.300 2.636 0 50 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CCc1cc(CN(C)Cc2cnc(N3CCCCC3)nc2)on1 215862326 VDRCSCVPCBBJSI-UHFFFAOYSA-N 315.421 2.649 0 50 DFAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccc2[nH]ccc2c1 328626104 LIZVZQICHYPMFM-ZDUSSCGKSA-N 308.385 2.699 0 50 DFAA CC1=CCCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)C1 253429155 SHAKXONUSIQIFP-HNNXBMFYSA-N 319.449 2.529 0 50 DFAA CO[C@@H]1CCN(C(=O)NCCc2cc(C)c(O)c(C)c2)[C@@H](C)C1 253432717 MZTAJRKPCVUTNV-GOEBONIOSA-N 320.433 2.760 0 50 DFAA CCO[C@@H]1C[C@H](N(C)c2ncc(C(N)=O)cc2Cl)C12CCC2 154888693 GUCBOVYLRZWSSJ-QWHCGFSZSA-N 323.824 2.618 0 50 DFAA C[C@H]([C@@H]1COc2ccccc2O1)n1cnc2ccccc2c1=O 32553409 AQNQERHRZLHEKZ-PXAZEXFGSA-N 308.337 2.798 0 50 DFAA Cc1cnccc1CN(C)C(=O)[C@H](O)c1cccc(Cl)c1 215212622 AULYNUDSOMVHTN-OAHLLOKOSA-N 304.777 2.735 0 50 DFAA O=S(=O)(c1ccc(C(F)F)cc1)N1CCC[C@]12CCOC2 368615485 AGDVLFQIWMFEGL-CQSZACIVSA-N 317.357 2.568 0 50 DFAA CCCc1ncc(CNC(=O)N2CCC(F)(F)[C@H](C)C2)o1 333190795 ODLSGCMAUVSXPM-SNVBAGLBSA-N 301.337 2.814 0 50 DFAA O=C(OCC1CCN(CC(F)(F)F)CC1)c1cccnc1F 239760978 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2.751 0 50 DFAA Cc1csc(NC2CCN(C(=O)Cc3ccoc3)CC2)n1 331842602 MMHALGSQPGMSRD-UHFFFAOYSA-N 305.403 2.690 0 50 DFAA C[C@@H](N)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95499951 NDCSWDGOOGNEBA-MRXNPFEDSA-N 308.425 2.942 0 50 DFAA CN1CCCC[C@H]1CCC(=O)N1CC(OCc2ccccc2)C1 95375745 KKEVOPMVKUOGHX-KRWDZBQOSA-N 316.445 2.679 0 50 DFAA O=C(O)C[C@@H]1COCCN1Cc1ccccc1OC1CCCC1 97334333 UPGRGKVCAYBENC-OAHLLOKOSA-N 319.401 2.684 0 50 DFAA CN1CCC[C@H](CCC(=O)NCCc2ccc(N(C)C)cc2)C1 95357946 VLYVQYBQZGDJGW-QGZVFWFLSA-N 317.477 2.533 0 50 DFAA C[C@@H](CS(C)(=O)=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C 180062521 YLINNBCRIFHUKX-NSHDSACASA-N 323.462 2.716 0 50 DFAA O=c1[nH]nc(-c2ccccn2)n1Cc1ccc(Cl)c(Cl)c1 253425848 JHZYMNIZOHUDJU-UHFFFAOYSA-N 321.167 2.989 0 50 DFAA C[C@@H](CN(C)C)[C@H]1CCCCN1C(=O)Nc1ccc(F)cn1 623051935 FQCPPRPFJRDCJW-GXTWGEPZSA-N 308.401 2.805 0 50 DFAA CNc1ncc(-c2ccc(C(=O)N(C)CCOC)cc2)s1 534658755 RDKAGPKIHOHHAV-UHFFFAOYSA-N 305.403 2.570 0 50 DFAA O=C(C[C@H]1CCOC1)NCc1c[nH]nc1-c1ccc(Cl)cc1 584896651 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Cc1ncc(CN(CCN(C)C)Cc2cccc(O)c2Cl)[nH]1 1704327129 ADKJPKODMJZNGG-UHFFFAOYSA-N 322.840 2.641 0 50 DFAA Cc1cccc(C(=O)N2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)n1 216890891 OVRSCXXXBPGEDU-CVEARBPZSA-N 324.380 2.639 0 50 DFAA Cc1nnc(CN(C)Cc2c(Cl)cccc2C(=O)O)s1 659805495 SSEYJWOYEZYNER-UHFFFAOYSA-N 311.794 2.830 0 50 DFAA Cc1c(F)ccc(-c2ccc(CN3CCN(C)CC3)cn2)c1O 1772706466 OKMUSXFYBHUSDO-UHFFFAOYSA-N 315.392 2.649 0 50 DFAA COc1cc(O)c2c(=O)cc(-c3ccc(O)c(OC)c3)oc2c1 5732373 ROCUOVBWAWAQFD-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vitro CC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O 13541549 RQNVEKOUKZJSSD-UHFFFAOYSA-N 310.353 2.978 0 50 DFAA CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O 8215849 GVVPGTZRZFNKDS-JXMROGBWSA-N 314.211 2.905 0 50 DFAA endogenous,in-man COC1(CNc2ncnc3cc(F)c(F)cc23)CCOCC1 120549502 RZFYCFQVEXXVEJ-UHFFFAOYSA-N 309.316 2.516 0 50 DFAA COC(=O)[C@@H](C)c1ccc(NC(=O)c2nc(C)oc2C)cc1 408520963 CYZZYFVPJGGPCT-VIFPVBQESA-N 302.330 2.820 0 50 DFAA O=C(O)CCN(C(=O)CC1CCCCCC1)C1CCOCC1 238061909 VERDDEXCOQQNFJ-UHFFFAOYSA-N 311.422 2.829 0 50 DFAA C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cccc(C(=O)O)c1 344448193 TZTUDJIAQKVJRF-IUODEOHRSA-N 305.374 2.596 0 50 DFAA C[C@@H]1OCCO[C@@H]1C(=O)N(CC1CCCCC1)c1ccccn1 904030450 QIRBWWGYFSNJRZ-YOEHRIQHSA-N 318.417 2.799 0 50 DFAA CON1CCC(NC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 905287430 FAMPNBPZWUYRGP-CQSZACIVSA-N 319.232 2.642 0 50 DFAA CCC(CC)n1[nH]c(=NC(=O)c2cc(C(=O)O)co2)cc1C 1875271053 ZZTNFHCOMUGXJE-UHFFFAOYSA-N 305.334 2.518 0 50 DFAA COc1ccc(NC[C@@]2([C@@H]3CCCO3)CCCO2)c(OC)c1 1875275206 AFDUFKJSNCJPOP-DLBZAZTESA-N 307.390 2.844 0 50 DFAA C[C@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CC(=O)N3)CC1 1875264999 MQQUISHUWVCJLS-SWLSCSKDSA-N 315.417 2.949 0 50 DFAA Cc1cccc(C)c1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875293319 LXJWZNQNNQIQPE-OLZOCXBDSA-N 313.401 2.979 0 50 DFAA O=[S@](Cc1ccn(Cc2ccccc2)n1)c1cccc(O)c1 1875322828 JXHDSPBLQIRPLF-JOCHJYFZSA-N 312.394 2.945 0 50 DFAA COc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 2810347 RSPLADUMXIQFKF-UHFFFAOYSA-N 302.374 2.640 0 50 DFAA Cc1ccc(-c2nnc(CN3CCn4ccnc4[C@@H]3C)o2)cc1 2325771928 CCMGNDITWNOMQK-ZDUSSCGKSA-N 309.373 2.818 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCC3CCC3)CO2)C1 2325809745 FXXQJNLZWLPTTD-RHSMWYFYSA-N 310.438 2.545 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)NC(=O)N1 116015 PLNXIQZVIUFBQR-ZDUSSCGKSA-N 308.765 2.920 0 50 DFAA CCOC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1 620546 AZUWASSGAPBLGR-UHFFFAOYSA-N 308.337 2.622 0 50 DFAA CCn1nncc1C(=O)N[C@H](C1CCCCC1)C(F)(F)F 342511762 GUFXFWTUWDJGEH-LLVKDONJSA-N 304.316 2.539 0 50 DFAA O=C1CN(C(=O)Cc2ccc(Cl)cc2)c2ccccc2N1 10313898 HDJFGVDFGZKXSD-UHFFFAOYSA-N 300.745 2.868 0 50 DFAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)c1cnn2ccccc12 55154571 OLHUMSOZEOZBAC-OAHLLOKOSA-N 323.396 2.605 0 50 DFAA CCN(C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)[C@H]1COC[C@@H]1O 55393673 JWZKMZQBSSURBN-APUOOXOISA-N 321.461 2.591 0 50 DFAA Cc1cnc(CNC(=O)CSCc2ccccc2Cl)cn1 55245363 CEVUYVNWIRIIPI-UHFFFAOYSA-N 321.833 2.988 0 50 DFAA O=C(CCc1ccsc1)NCCc1cccc(C(=O)O)c1 225553563 PHCIDARFOGKWQV-UHFFFAOYSA-N 303.383 2.738 0 50 DFAA COc1cccc(NC(=O)CC(=O)Nc2ccccc2OC)c1 57291838 BCDFUMPBYDLTLP-UHFFFAOYSA-N 314.341 2.671 0 50 DFAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1C[C@H]2CC[C@H]1C2 101418770 NFLJJVAXRQDSAR-AAEUAGOBSA-N 316.792 2.604 0 50 DFAA Cc1ccccc1[C@H](NC(=O)Cc1nonc1C)c1ccncc1 67773785 OQLVYRQPTZVDKB-GOSISDBHSA-N 322.368 2.530 0 50 DFAA CC(C)(N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67695349 ZANLKJLBGXQQQK-UHFFFAOYSA-N 321.327 2.506 0 50 DFAA O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cnn(-c2cccnc2)c1 346084950 HCCSXBCMIKPYDW-CRAIPNDOSA-N 318.380 2.628 0 50 DFAA OCC[C@H]1CN(C2CCCCC2)CCN1Cc1ccccc1 23372944 KSBGIJVCPZKVBG-IBGZPJMESA-N 302.462 2.888 0 50 DFAA O=C(COC[C@H]1CCCO1)NCc1ccc(-c2ccccc2)o1 69267429 WOBWEHIJPUVXBZ-MRXNPFEDSA-N 315.369 2.758 0 50 DFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1sccc1Cl 12195503 YMZOMAKCYDLFEG-SNVBAGLBSA-N 322.821 2.590 0 50 DFAA CCCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@H]2C)n1 252677312 YHVSMLSNVDIORE-RDBSUJKOSA-N 322.453 2.566 0 50 DFAA O[C@H](CN(Cc1ccccc1)C[C@@H]1CCOC1)c1ccco1 229936754 RLWPTHGUYRIWBI-DLBZAZTESA-N 301.386 2.852 0 50 DFAA Cc1c(-c2nn3c(-c4cccs4)nnc3s2)cnn1C 32094328 OHAIEEHXUGJRTM-UHFFFAOYSA-N 302.388 2.623 0 50 DFAA Cc1sc2ccccc2c1CN1CCOC[C@H]1CC(=O)O 72127148 QILPFTYQJWHHAB-GFCCVEGCSA-N 305.399 2.885 0 50 DFAA c1cncc(CO[C@H]2CCCN(c3ncnc4c3CCC4)C2)c1 77457066 MGKKCSNLJRTXCS-HNNXBMFYSA-N 310.401 2.546 0 50 DFAA COc1ccc(CN(C)CCC2CCOCC2)cc1C(=O)O 215295971 RJOFTYAIPYLDAN-UHFFFAOYSA-N 307.390 2.642 0 50 DFAA Cn1ccnc1CN1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 215189034 JMOMPIWMKXAENV-IRXDYDNUSA-N 314.477 2.530 0 50 DFAA Cc1cccc(C)c1CCNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 125309928 DMPOXVAJWDPAJO-RBUKOAKNSA-N 324.424 2.803 0 50 DFAA OCc1ccc(-c2nccn2Cc2cccc(-n3cccn3)c2)o1 71615284 UUTGXHRYQVCEFE-UHFFFAOYSA-N 320.352 2.869 0 50 DFAA Cc1noc(C)c1CN1CCC([C@H](O)c2ccccn2)CC1 216196989 LTKZXXDPLLQHIG-KRWDZBQOSA-N 301.390 2.632 0 50 DFAA Cc1cc(C)n([C@@H](C)CC(=O)NCc2nnc(C(C)C)s2)n1 332354480 WDECLCHJYUGUDH-LBPRGKRZSA-N 321.450 2.742 0 50 DFAA COc1ccc(NC(=O)N(C)CCC2CCOCC2)cc1OC 135286265 MRBCQUARGNQNRK-UHFFFAOYSA-N 322.405 2.984 0 50 DFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)O)C12CCCCC2 41128002 DHWUKBUJFIQUNG-OAHLLOKOSA-N 317.385 2.660 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@]12CN(Cc1ccccc1)C2=O 40449974 SGZSHVUSFGUOCM-GOSISDBHSA-N 316.401 2.799 0 50 DFAA Cc1nc(-c2cccc(NC(=O)C[C@@H]3CCCOC3)c2)n[nH]1 192805353 CHADCILXKIHPSU-LBPRGKRZSA-N 300.362 2.535 0 50 DFAA CCCCOc1ccc(NC(=O)N2CC[C@H](NC(C)=O)C2)cc1 96152476 ZVIQPDATRIDLPU-HNNXBMFYSA-N 319.405 2.608 0 50 DFAA Cn1ccnc1-c1cn(Cc2scnc2-c2ccccc2)nn1 91547936 SSIYIFNCOUXXJC-UHFFFAOYSA-N 322.397 2.850 0 50 DFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cnn(C(C)C)c2)C1 91620975 HYLXATPWWHHJQO-INIZCTEOSA-N 307.394 2.571 0 50 DFAA COCc1ccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)o1 95361879 CHQDTPPYQJXPSH-CYBMUJFWSA-N 315.369 2.797 0 50 DFAA Cc1ccc2c(c1)[C@@H](NCC1CCS(=O)(=O)CC1)[C@H](C)C2 181024849 NKLYUJFNYQZTGZ-DYVFJYSZSA-N 307.459 2.643 0 50 DFAA COc1ccccc1OCCCc1cccc(F)c1C(N)=O 91770095 KLFPAZNOCFYWST-UHFFFAOYSA-N 303.333 2.945 0 50 DFAA CCn1nncc1C(=O)N1CCC[C@@H]1c1ccccc1Cl 292811404 NFCGZOSJDDKFHH-CYBMUJFWSA-N 304.781 2.929 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)CCc2cc(Cl)cs2)C1 237776766 VQVGLPPFFAKZGJ-ZDUSSCGKSA-N 301.795 2.657 0 50 DFAA Cc1nc(C(=O)NC[C@@H](c2sccc2C)N(C)C)cs1 96149323 NVSAVIHMQYOXHQ-LBPRGKRZSA-N 309.460 2.854 0 50 DFAA Cc1ccc(C)c(CCN2CC3(CCNCC3)CCC2=O)c1 91350952 WWVPJNUNFJJFMI-UHFFFAOYSA-N 300.446 2.838 0 50 DFAA O=C1C[C@]2(CCN(Cc3nccn3C3CC3)C2)Oc2ccccc21 244707985 KLIHOPJZDJNIER-IBGZPJMESA-N 323.396 2.828 0 50 DFAA O=C(N[C@H]1CCCOCC1)N1CCc2ccc(Cl)cc2C1 181786156 DGTZTPXXDNTMGE-HNNXBMFYSA-N 308.809 2.977 0 50 DFAA CCN(C[C@@H](O)c1cccc(O)c1)C(=O)NCC1(C(C)C)CC1 534674056 NNITXJLBXQUMRU-MRXNPFEDSA-N 320.433 2.893 0 50 DFAA COc1cccc(-n2cc(CNC(=O)[C@@H](C)n3cccc3)cn2)c1 670469987 QSEUGQDSHLBVGK-CQSZACIVSA-N 324.384 2.560 0 50 DFAA COc1ccc2[nH]c(CNC(=O)[C@H]3CC(C(C)C)=NO3)cc2c1 670474084 COSMZTUVKWPQOT-MRXNPFEDSA-N 315.373 2.594 0 50 DFAA CC1=NO[C@@](C)(C(=O)Nc2cc(C)c3nc(N)sc3c2)C1 952991232 VFKIHIDUOMZMQS-CQSZACIVSA-N 304.375 2.680 0 50 DFAA CC[C@H](NCc1c(CO)cnc(C)c1O)c1nc(C)c(C)s1 952976501 ZQMNXPWKOWXIDH-AWEZNQCLSA-N 321.446 2.902 0 50 DFAA CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)N1CCOCC1 221791295 YQDORLCHQGKIPK-DJIMGWMZSA-N 310.482 2.818 0 50 DFAA Cc1cscc1C(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 275271649 FAGHJXWMDVEEMJ-GFCCVEGCSA-N 321.402 2.777 0 50 DFAA Cc1ccc(-c2cc(CN3CC[S@](=O)C[C@@H](C)C3)on2)cc1 277498230 PGUHWQNSLOENMY-FPTDNZKUSA-N 318.442 2.850 0 50 DFAA CCOc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1F 278879564 ZKAVZUYBTYXILV-HOCLYGCPSA-N 319.380 2.578 0 50 DFAA COc1cccc(C)c1NC(=O)CNC(=O)NC1CCCCC1 170614992 MOYLNDUTGJTFIR-UHFFFAOYSA-N 319.405 2.574 0 50 DFAA Cc1ccc2c(CCNC(=O)NC3CCOCC3)cn(C)c2c1 187647832 QCPXBEXVJDFWMU-UHFFFAOYSA-N 315.417 2.507 0 50 DFAA Cc1nc(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)no1 189505871 WJVDDPGQDXSYPV-IINYFYTJSA-N 307.781 2.993 0 50 DFAA C[C@H]1c2ccccc2CCN1c1ccc(S(C)(=O)=O)cn1 672230376 BMCCMKOHPCOALS-LBPRGKRZSA-N 302.399 2.609 0 50 DFAA COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1 2527695 QTZUXFAAJYZBMX-SNVBAGLBSA-N 307.337 2.878 0 50 DFAA Cc1nc(CN2CCC([C@@H](C)N3CCCC3)CC2)n(C)c1C 1506396463 HAFXHODASYUGPT-MRXNPFEDSA-N 304.482 2.733 0 50 DFAA Cc1ccc(C)c(CC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1529114968 VJCILICSOJQMRC-USTZCAOPSA-N 301.430 2.854 0 50 DFAA CCN(CC)S(=O)(=O)c1ccc(C)c(Br)c1 4369313 OGLQPDZZDCFKRG-UHFFFAOYSA-N 306.225 2.788 0 50 DFAA in-vitro Cn1nnc2c(-n3ccnc3-c3ccc4c(c3)CCO4)cccc21 1772812836 RNUQRCOKMRQPRB-UHFFFAOYSA-N 317.352 2.756 0 50 DFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCC1 5636573 SACSYKDKMOWPRX-UHFFFAOYSA-N 322.430 2.600 0 50 DFAA COC(=O)CCCC(=O)N1CCO[C@@H](CC2CCCCC2)C1 12373391 YHIVUCLZMJZHSZ-HNNXBMFYSA-N 311.422 2.528 0 50 DFAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(CC)CC1 12708186 DPCUIAVCFYGSDX-UHFFFAOYSA-N 305.418 2.903 0 50 DFAA COc1ccc(NC(=O)c2cc(-c3ccc[nH]3)n[nH]2)cc1OC 169765214 MNUJKJCMCJWBRM-UHFFFAOYSA-N 312.329 2.674 0 50 DFAA C[C@@H](CCn1ccnc1-c1cc2ccccc2n(C)c1=O)N(C)C 1857694926 ZWQZRYZRWDFPCP-AWEZNQCLSA-N 324.428 2.742 0 50 DFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)C1CC=CC1)CC2 1857731096 KFTWOVUOMHOQAT-UHFFFAOYSA-N 321.424 2.981 0 50 DFAA CCOC(=O)c1ccc(N2C[C@H](O)C[C@H]2C2CCCCC2)nc1 252515306 IHAVPYOCJGJOCJ-CVEARBPZSA-N 318.417 2.778 0 50 DFAA C[C@@H]1[C@H](CC(=O)O)CC[C@@H]1N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 902420184 YYYVFSMKPXGJRA-JQBKIFNJSA-N 307.434 2.813 0 50 DFAA CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ncco2)nc1 1875279121 LXLAOBJENRIKBE-UHFFFAOYSA-N 304.306 2.669 0 50 DFAA CC1=N[C@H](CCN(C)C)C(=O)Nc2ccc(Br)cc21 1875281833 ZQWLQCFIWGMZPP-CYBMUJFWSA-N 324.222 2.531 0 50 DFAA COc1ccc2c(=O)n([C@@H](C)c3ccc(C(=O)O)cc3)ncc2c1 1875328567 YZCPZOZGRDZOEY-NSHDSACASA-N 324.336 2.713 0 50 DFAA CCc1cc(Cl)cnc1NC(=O)c1cc(CN(C)C)on1 1774965268 VMPXGVBBJPUTHD-UHFFFAOYSA-N 308.769 2.599 0 50 DFAA C/C=C/C[C@H](CC)C(=O)N[C@H](C(=O)O)c1cccc(OC)c1 2325810065 DNWNIIXIZNDNTO-GLIVKDKESA-N 305.374 2.930 0 50 DFAA Nn1c(SCc2ccc(Cl)cc2)nnc1C(F)(F)F 130950 YACAUTSUMYRACP-UHFFFAOYSA-N 308.716 2.956 0 50 DFAA CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 207090 DTBBSVOROIZTHP-UHFFFAOYSA-N 318.398 2.860 0 50 DFAA CCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1 557344 UGVNHXYDCIHNES-UHFFFAOYSA-N 307.766 2.813 0 50 DFAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)NC(=S)N1 2476413 XAZZIBGHWULBSZ-CQSZACIVSA-N 313.382 2.711 0 50 DFAA CCCCNCc1cccc(OC)c1OCC(=O)NC(C)(C)C 6746459 DDNJHDBXTCFZQT-UHFFFAOYSA-N 322.449 2.878 0 50 DFAA CCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)s1 9042402 TYPAEKYDEGYQSU-SNVBAGLBSA-N 321.402 2.905 0 50 DFAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 9061853 GFOMJMIHAHXQOG-SECBINFHSA-N 324.229 2.759 0 50 DFAA CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccccn2)c1C 9909922 SBTXERZLOHULQK-UHFFFAOYSA-N 302.330 2.560 0 50 DFAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nccc2ccccc12 248132817 NSZPFGZWWKGGDL-DLBZAZTESA-N 309.413 2.934 0 50 DFAA O=C1CC[C@H](CCNCc2ccccc2)N1Cc1ccncc1 66352123 CKWUNUPUAPMUJA-GOSISDBHSA-N 309.413 2.753 0 50 DFAA COCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708100 GGTPYCCNOZTULO-CYBMUJFWSA-N 318.200 2.930 0 50 DFAA Cc1ccc2nc([C@@H]3CCCN3c3cc(CN)nc(C)n3)[nH]c2c1 67757974 KYPGVDQDTTXHRS-INIZCTEOSA-N 322.416 2.770 0 50 DFAA CN(Cc1cnccn1)C(=O)CCCc1c[nH]c2ccccc12 172154448 FINSGHGRAPZCCO-UHFFFAOYSA-N 308.385 2.939 0 50 DFAA CCc1cccc(CC)c1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20213375 JXOKIESWRJFKCE-KBPBESRZSA-N 304.434 2.859 0 50 DFAA COc1cc(C)cc(CNCc2ccc3c(c2)oc(=O)n3C)c1 352695452 CVWVSUQAYCDIDO-UHFFFAOYSA-N 312.369 2.738 0 50 DFAA CCc1c(C(=O)N[C@H]2COc3ccccc32)cnn1CC(C)C 124597231 FFNUMYCZKQXHHW-HNNXBMFYSA-N 313.401 2.965 0 50 DFAA Cc1c(Br)c(C(=O)N[C@@H]2CCCC[C@H]2C)nn1C 2780850 MRPWRDQJDWMOJO-PSASIEDQSA-N 314.227 2.800 0 50 DFAA CN(C[C@H]1CCCO1)C(=O)c1cccc(CCC(C)(C)O)c1 72429656 QKOGCMPCFUUDQK-MRXNPFEDSA-N 305.418 2.641 0 50 DFAA O=C(NCc1ccc(F)cc1)[C@@H]1CC(c2ccccc2F)=NO1 6738450 BDOTUJNTYCEVAA-INIZCTEOSA-N 316.307 2.774 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cc(C)n(C)n1 328618359 DRCKUBIGPWVPAD-LBPRGKRZSA-N 318.446 2.686 0 50 DFAA O=C([C@H]1C[C@@H]1c1cccc(O)c1)N1CCO[C@H]2CCCC[C@@H]21 253428006 FZROGWXMTLPSHE-QZWWFDLISA-N 301.386 2.666 0 50 DFAA CCN(C(=O)Cn1nc(C)c(Cl)c1C)c1cccnc1C 331260887 KTJNXFANPPPKMW-UHFFFAOYSA-N 306.797 2.910 0 50 DFAA COCCn1ccnc1CN1CCCC[C@H]1c1cccnc1 215909603 IOLSGULWEXYQHD-INIZCTEOSA-N 300.406 2.652 0 50 DFAA CN(Cc1ccc2cccc(Cl)c2n1)C[C@@H]1COCCO1 215854211 OXJNDACODLFSAD-CQSZACIVSA-N 306.793 2.735 0 50 DFAA CNC[C@@H]1CCCN1C(=O)c1sc(C2CCCC2)nc1C 237150337 CXENXPPJBCPIRC-ZDUSSCGKSA-N 307.463 2.933 0 50 DFAA COc1cc(F)c(C(=O)N2CCC[C@@H]2c2ncc[nH]2)cc1OC 371520684 VOLFJYFHJMHMDQ-GFCCVEGCSA-N 319.336 2.543 0 50 DFAA Cc1ccc(C(=O)NCC[C@H](O)C(F)(F)F)c2c1CCC2 449936221 CEMUISRLRICAPJ-ZDUSSCGKSA-N 301.308 2.527 0 50 DFAA CN1C[C@]2(CCCN(Cc3c(F)cccc3F)CC2)OC1=O 72167131 FJPFDFJCJZNBTQ-MRXNPFEDSA-N 310.344 2.772 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1noc2ccccc12 237929233 AUWFXPWQKUVSKA-LBPRGKRZSA-N 316.357 2.616 0 50 DFAA CC[C@H](C)[C@@H]([C@@H](CC(=O)OC)OC)N(C)C(=O)OC(C)(C)C 71257122 QUKPMKIGESHWTO-SCRDCRAPSA-N 317.426 2.846 0 50 DFAA CC[C@@H](C(=O)N1CCC[C@H]1CC(=O)O)c1ccc(OC)cc1 263052845 WQKZYKADTZSKGH-DZGCQCFKSA-N 305.374 2.655 0 50 DFAA Cn1nccc1[C@H]1OCC[C@@H]1Nc1nc2cc(F)ccc2o1 284527951 KSSOZAUHCJNHHA-HZMBPMFUSA-N 302.309 2.643 0 50 DFAA COc1cccc([C@H](O)C(C)(C)NC(=O)Cc2ccccc2)c1 44126155 ZSWPAIDKBOLHPO-SFHVURJKSA-N 313.397 2.866 0 50 DFAA C[C@H](Cc1ccc(NC(=O)[C@]2(C)CCCOC2)cc1)C(=O)O 263536139 OQOBGLYHHAREEY-SJKOYZFVSA-N 305.374 2.705 0 50 DFAA CC[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)c1ccccc1 287271895 QTRSRFDZMKPOCD-FUHWJXTLSA-N 318.417 2.729 0 50 DFAA CC[C@H](NC(=O)c1cnc(SC)nc1)c1ccc(C)cn1 223295328 DTOYGURUEGJWDQ-LBPRGKRZSA-N 302.403 2.783 0 50 DFAA CCc1nc2ccccc2n1CCC(=O)NCc1cc(C)no1 426624709 CLKNFZCRUDXURJ-UHFFFAOYSA-N 312.373 2.602 0 50 DFAA O=C1CCCCc2cc(C(=O)N3CC[C@H](n4cccn4)C3)ccc21 291270742 QQGWWHNCIXHROY-INIZCTEOSA-N 323.396 2.879 0 50 DFAA COc1ccc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)cc1Cl 91693684 OJSWIHCLQVVYIZ-INIZCTEOSA-N 311.809 2.972 0 50 DFAA NCCCOC1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 162152949 QRNWHXWDZLJOKA-IRXDYDNUSA-N 308.466 2.559 0 50 DFAA CCCC[C@H]1C=CCN1C(=O)Nc1cc(C(N)=O)ccc1F 97797639 KHVHNMISPRVQQC-LBPRGKRZSA-N 305.353 2.887 0 50 DFAA COCc1cc(CN(C)C[C@H]2CCOc3ccccc3C2)n[nH]1 95529354 LSFVNBQBPOULCT-AWEZNQCLSA-N 315.417 2.629 0 50 DFAA O=C(c1ccc2cccc(Cl)c2n1)N1C[C@@H]2CCCN[C@@H]2C1 97547851 ZIXOEEXOJVBXDF-SWLSCSKDSA-N 315.804 2.712 0 50 DFAA c1ccc(COCc2cn(Cc3ccc4c(c3)OCO4)nn2)cc1 91987204 QVALVJCSCIPLQN-UHFFFAOYSA-N 323.352 2.772 0 50 DFAA O=C(CCn1cncn1)N1CCc2c(-c3ccccc3)cccc21 184389230 KKCSDGZCJCNNPA-UHFFFAOYSA-N 318.380 2.925 0 50 DFAA O[C@H](C[C@@H]1c2c(F)cccc2-c2cncn21)[C@H]1CC[C@H](O)CC1 253387952 YGACXVRLDHEXKY-GADXADSLSA-N 316.376 2.894 0 50 DFAA Nc1cc(Br)c(NC(=O)C(F)(F)F)cc1F 616568507 RUDIEJLOUKQEND-UHFFFAOYSA-N 301.037 2.671 0 50 DFAA COc1ccc(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c(C)c1C 299782350 YDMBTXLUFNFFFN-NZSAHSFTSA-N 319.445 2.816 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)C[C@H]1CCNC1 299768899 QXGUTZSPCNIQMT-GFCCVEGCSA-N 319.836 2.788 0 50 DFAA Cc1n[nH]c(C)c1CCCn1cnc2c(C)csc2c1=O 584892984 LVXTYEPEGXIZQK-UHFFFAOYSA-N 302.403 2.739 0 50 DFAA NC(=O)c1cnccc1N1CCC(c2nc3ccccc3o2)CC1 302220059 LVBQNLRMPWWBFJ-UHFFFAOYSA-N 322.368 2.706 0 50 DFAA CC(C)=CC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 408520484 HTCHPKNFNIEAEX-SNVBAGLBSA-N 324.343 2.915 0 50 DFAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cnsn1 187047438 GNNONSOWQKNTKS-TVQRCGJNSA-N 323.805 2.794 0 50 DFAA CN(C(=O)c1ccc(-c2cccc(F)c2)s1)[C@@H]1CCNC1=O 635745132 WRCLGOPMLJEVRF-GFCCVEGCSA-N 318.373 2.515 0 50 DFAA Cc1noc([C@@H]2COCCN2Cc2ccc(Cl)cc2F)n1 189180916 VDGPSZNKXPJYOO-ZDUSSCGKSA-N 311.744 2.744 0 50 DFAA Cc1nnc([C@@H](C)n2cc(CNc3c(C)cccc3C)nn2)o1 640986635 GEDMGJXNJFFDSW-GFCCVEGCSA-N 312.377 2.808 0 50 DFAA Cn1nc(C(=O)N2CCC(c3ccccn3)CC2)cc1C1CC1 677166216 ISOBSMUAYZSTOX-UHFFFAOYSA-N 310.401 2.712 0 50 DFAA CN(C[C@@H]1CCCOC1)C(=O)Nc1nsc2ccccc12 585119523 JQDIXKZEWTVGSM-NSHDSACASA-N 305.403 3.187 0 50 DFAA C[C@H]1CCSCCN1C(=O)c1ncccc1Br 194348644 NSJOHRSEAPPNAE-VIFPVBQESA-N 315.236 2.812 0 50 DFAA CCCCCNC(=O)NS(=O)(=O)c1ccccc1Cl 15636074 GOVJXUIPFCPGCO-UHFFFAOYSA-N 304.799 2.518 0 50 DFAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnc4c(F)c(F)ccc4c3)C[C@@H]21 1615544451 BOMGXWBWYPYLGV-JYYRZZBQSA-N 317.339 2.825 0 50 DFAA CCn1cc(Br)c(C(=O)N(C)c2cccc(C)n2)n1 1615613426 WMOYWNKKKDOJSZ-UHFFFAOYSA-N 323.194 2.646 0 50 DFAA CC[C@@H](C)Oc1ccccc1CN(CCO)Cc1cncn1C 1704307968 NWYWZAYUPJMOGN-OAHLLOKOSA-N 317.433 2.592 0 50 DFAA CCc1nc(N)nc(NC[C@H](c2cccs2)N(C)C)c1C 1772701184 KKORQDLMCUBOOS-GFCCVEGCSA-N 305.451 2.706 0 50 DFAA CSCCNC(=O)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1 12244274 YUBQRHUMGMLWBD-ZDUSSCGKSA-N 312.822 2.507 0 50 DFAA COc1ccc(-c2n[nH]cc2CN2CCCC[C@@H]2CO)cc1F 12316184 ZNARNXNHWUJGIV-CQSZACIVSA-N 319.380 2.571 0 50 DFAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1ccncc1 12386362 WIJLUDPFHVINNR-ZDUSSCGKSA-N 319.368 2.733 0 50 DFAA CCN1CCC(NC(=O)c2cccc(Br)c2)CC1 16603350 VWLGRMVTWOTLPF-UHFFFAOYSA-N 311.223 2.663 0 50 DFAA CN1C[C@@H](Cn2ccnc2-c2ccnc3ccccc23)CC1=O 1857680415 MUGZJMOHPMCXCU-ZDUSSCGKSA-N 306.369 2.577 0 50 DFAA Fc1cccc(OC[C@@H]2CCCN(CC3COCCOC3)C2)c1 1857685357 SFQIYFDSAMOZCL-OAHLLOKOSA-N 323.408 2.580 0 50 DFAA C[C@H](C(=O)NCCCCc1ccc(Cl)s1)n1cncn1 225463877 FNXGCBUBJLGNMX-SNVBAGLBSA-N 312.826 2.693 0 50 DFAA CCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 2877700 BPPLTGAFDWLKIO-UHFFFAOYSA-N 323.389 2.745 0 50 DFAA CC(C)(CC(F)(F)F)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907946422 PKHYTQSIKUZIBF-QCLAVDOMSA-N 307.312 2.581 0 50 DFAA CC(C)(C(N)=O)c1nc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)no1 817100363 ZHHQWVQIEQQFJQ-DCYIXLHKSA-N 323.824 2.662 0 50 DFAA Fc1cccc2c(NC[C@@H]3CC(C(F)(F)F)=NO3)ncnc12 952882495 MRJMXKQUOJHARR-ZETCQYMHSA-N 314.242 2.888 0 50 DFAA O=C(N[C@H](CO)CCc1ccncc1)[C@H]1C[C@@H](c2ccccc2)C1 1875295894 ULZZYTTYXATAGD-OTWHNJEPSA-N 324.424 2.685 0 50 DFAA CC(C)c1cc(C(=O)N2CCCc3cc(CCN)ccc32)n[nH]1 1875276584 DYHAEGOFSSUSBQ-UHFFFAOYSA-N 312.417 2.627 0 50 DFAA COCc1nc(C2([C@H]3CCCO3)CC2)n(-c2ccc(F)cc2)n1 1875348261 KSJYWWZCQPASPS-CQSZACIVSA-N 317.364 2.763 0 50 DFAA Cc1ccnc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2nccn2C)c1 886081876 AOHDCDJVVVEKNF-HLLBOEOZSA-N 314.433 2.942 0 50 DFAA Cc1cnn(C2CCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)c1 2325727872 KNWRMLWCRQMPBO-LBPRGKRZSA-N 316.405 2.764 0 50 DFAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@@H]1C[C@@H]1C 2325841984 LIISWWMVRFGKQL-XRNSZHNASA-N 303.337 2.639 0 50 DFAA O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 296062 SSOMJRJEEVXYPJ-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA CCCCCNS(=O)(=O)c1ccc(Br)cc1 2485378 TYJIZFDFOVOJSE-UHFFFAOYSA-N 306.225 2.918 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)CN2CC[C@H](c3ccccc3)C2)CC1 2356162293 GMJCXNWXYCRKFQ-BZSNNMDCSA-N 316.445 2.550 0 50 DFAA CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(C)cc1OC 6697473 LTTPOQFHYZFMFP-UHFFFAOYSA-N 308.403 2.616 0 50 DFAA CC(=O)NC1CCC(Nc2ccc(-n3ccnc3)c(F)c2)CC1 133959784 HFWWJVOFCOAEMO-UHFFFAOYSA-N 316.380 2.871 0 50 DFAA c1ccc(COc2ccc(CN3CCN4CCC[C@H]4C3)cc2)nc1 247311234 NZZVVOFBCKWGMI-IBGZPJMESA-N 323.440 2.941 0 50 DFAA CCN(CCN1CCCCCC1)C(=O)[C@H]1CCCc2n[nH]cc21 346332406 IUTQNJLVPIRRNC-HNNXBMFYSA-N 318.465 2.554 0 50 DFAA CN(C)C[C@]1(O)CCCN(CCCCOc2ccccc2)CC1 72133244 LTSLTKDOQKGWGD-IBGZPJMESA-N 320.477 2.624 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N(CCC2Cc3ccccc3C2)C1=O 348703637 RHALBDUPVDCFFY-LRDDRELGSA-N 300.402 2.758 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCO[C@@H](c2cccnc2)C1 216369433 DBTREXSGDZXKEX-OAHLLOKOSA-N 320.824 2.604 0 50 DFAA CS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccnc2)c(F)c1 360891660 MWKQWIRYVAJAFM-HNNXBMFYSA-N 320.389 2.966 0 50 DFAA O=C1N(CC2CC2)CCC[C@@]12CCN(C1Cc3ccccc3C1)C2 12571231 HRCFYQLIXYHZCS-NRFANRHFSA-N 324.468 2.878 0 50 DFAA CC1(C)[C@@H](C(=O)NCCc2ccccc2)CC[C@]1(C)C(=O)O 47708 ZWXYBYIPWGXZFF-RDTXWAMCSA-N 303.402 2.872 0 50 DFAA CC(C)c1nc(/C=C/c2ccc3c(c2)nnn3C)ncc1C(=O)O 430992898 VMLUNDGGEGKUHG-FNORWQNLSA-N 323.356 2.750 0 50 DFAA COc1cccc(-c2ccnc3nc(-c4ccncc4)nn23)c1 71284530 TWQRJSGZYJHNTB-UHFFFAOYSA-N 303.325 2.862 0 50 DFAA Cc1nc(-c2cccc(-c3noc([C@]4(C)CCCO4)n3)c2)n[nH]1 329687983 FYJLBFSDAWXPSB-INIZCTEOSA-N 311.345 2.856 0 50 DFAA C=Cn1cc(CN2CCC(Nc3nc(C)cs3)CC2)cn1 365830156 ZMAXQTLGEDSZJH-UHFFFAOYSA-N 303.435 2.825 0 50 DFAA O=C(Cc1ccc(-n2ccnc2-c2ccccn2)cc1)NC1CC1 77343850 RALQUVRNGONEIZ-UHFFFAOYSA-N 318.380 2.755 0 50 DFAA Cc1nc([C@@H]2CCCN(C(=O)N=c3cc[nH]cc3)C2)sc1C 365642966 XUJNDEQNYKEYNZ-CYBMUJFWSA-N 316.430 2.988 0 50 DFAA CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ncc(C)s1 155257306 GIQJHPVFTOMDQN-MRVPVSSYSA-N 312.826 2.892 0 50 DFAA Cc1cscc1NC(=O)C(=O)N(C)[C@@H](C)c1ccncc1 126256024 KTHNABRNVHXHSB-NSHDSACASA-N 303.387 2.610 0 50 DFAA COc1ccc(C)cc1CC(=O)N1CCCC[C@H]1CCC(=O)O 261740083 NTNDGUGQLBMJJD-HNNXBMFYSA-N 319.401 2.792 0 50 DFAA c1ccc(Cn2cccn2)c(CN2CCCn3cncc3C2)c1 72145568 ZDSMBUNCWXWSMC-UHFFFAOYSA-N 307.401 2.534 0 50 DFAA CN(CCC[C@H]1CCCO1)Cc1cc(=O)c2ccccc2[nH]1 216365040 NEGKTKULBIAXMX-HNNXBMFYSA-N 300.402 2.919 0 50 DFAA 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2.604 0 50 DFAA CC(C)c1nccn1CCCNC(=O)CSc1ccccn1 827846348 FKQQHFTUJSMVIK-UHFFFAOYSA-N 318.446 2.700 0 50 DFAA COc1cccc2ncn([C@H](C)c3nc(C)cs3)c(=O)c12 824804911 UKHQKMLDMMNZEG-SNVBAGLBSA-N 301.371 2.779 0 50 DFAA Cc1nc(C)c(CC(=O)NCc2n[nH]c3c2CCCCC3)s1 584889740 RKYAXNAMAIVTJQ-UHFFFAOYSA-N 318.446 2.611 0 50 DFAA CN(Cc1nccs1)C(=O)NC[C@H]1CCN(C2CCCC2)C1 584891956 JIJITFFBOBQVDT-CYBMUJFWSA-N 322.478 2.549 0 50 DFAA CCNc1nc(C)c(-c2n[nH]c(COc3ccccc3)n2)s1 584887283 XHIZIEFBYZYYPC-UHFFFAOYSA-N 315.402 3.247 0 50 DFAA O=C(C1CCCC1)N1CC[C@H](N[C@@H](C2CCC2)[C@H]2CCOC2)C1 864097385 VANARUBFTKUAFB-BZSNNMDCSA-N 320.477 2.572 0 50 DFAA COc1cccc(Cl)c1-c1nnc([C@@]2(OC)CCOC2)o1 886082175 HIQVYMYEJACKMD-CQSZACIVSA-N 310.737 2.661 0 50 DFAA CS(=O)(=O)[C@@H]1CCC[C@H](N=c2c(Cl)c[nH]cc2Cl)C1 1776006786 VQCUCSGDRZKWOS-DTWKUNHWSA-N 323.245 2.578 0 50 DFAA O=S(=O)(NC1CCC2(CC1)N=N2)C1=Cc2ccccc2CC1 1776005483 FUAAISIQHNYRFF-UHFFFAOYSA-N 317.414 2.998 0 50 DFAA C[C@@H]1CN(c2ncnc3ccsc23)CCN1CC(F)(F)F 270730928 RCAOPDXHNNAXDX-SECBINFHSA-N 316.352 2.764 0 50 DFAA OCC1(CNCc2c[nH]nc2-c2ccccc2F)CCCC1 185808426 DWGKGGLVWQRSPC-UHFFFAOYSA-N 303.381 2.858 0 50 DFAA Cc1ccc([C@H]2CS(=O)(=O)CCN2CC2=CCCCC2)o1 408525487 HHRWGCXNMWDYGL-OAHLLOKOSA-N 309.431 2.860 0 50 DFAA COCCC1(c2nc(-c3ccc(C(N)=O)cc3)no2)CCCC1 273772349 RIDRRPVSWQPELX-UHFFFAOYSA-N 315.373 2.684 0 50 DFAA c1ccc(-n2cccn2)c(-c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)c1 273877440 OGQUZGDNIYONDF-OSAQELSMSA-N 308.341 2.957 0 50 DFAA Cc1cc(N2CCCS2(=O)=O)ccc1-c1ccccc1O 585120661 DZEMNMJSTYUCMM-UHFFFAOYSA-N 303.383 2.908 0 50 DFAA c1cc(Cc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)cs1 278103670 PIKZRDWQJJXKDG-QWHCGFSZSA-N 305.403 2.648 0 50 DFAA Nc1c(F)cccc1CN1CCC(Oc2ncccc2F)CC1 639110199 JJHBAPVJESXKQJ-UHFFFAOYSA-N 319.355 2.985 0 50 DFAA O=C(Nc1ccsc1)Nc1ccccc1CN1CCNC1=O 191618907 XNQGNQGBAJHFKN-UHFFFAOYSA-N 316.386 2.917 0 50 DFAA COc1cccc(OC)c1C(=O)N1CCSc2ccncc21 191967929 JOBGWDKBGBPLNN-UHFFFAOYSA-N 316.382 2.851 0 50 DFAA Cc1cc(C)n(-c2ccc(NC(=O)Nc3cc[nH]n3)cc2F)n1 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O=c1n(CCSCC=Cc2ccccc2)nc2ccccn12 1857533402 VPCBIQNXHSURCI-UHFFFAOYSA-N 311.410 2.943 0 50 DFAA O=C(Nc1nc2c(s1)-c1ccccc1CC2)[C@H]1CCOC1 1875251261 UGARQDRQYQFZRN-NSHDSACASA-N 300.383 2.884 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)c2nc3ccccn3c2C)on1 1875243449 HNVRRUSBRYUYSO-CYBMUJFWSA-N 310.357 2.916 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 371978 AVKSDUWCHYEFDI-QWRGUYRKSA-N 309.749 2.954 0 50 DFAA O=C(N[C@H]1CCC[C@@H](C2CC2)C1)N1C[C@@H]2CCC[C@H](C1)C2O 241634561 PNLJWRQHWLTZRH-ILUDGRTOSA-N 306.450 2.758 0 50 DFAA Cc1c(CN[C@H](C)c2cc(-c3ccccc3)nn2C)cnn1C 453165183 BFKUANUKYLNEHJ-CYBMUJFWSA-N 309.417 2.980 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N1CCCc2sccc2C1 593238536 AARWSTWCUDZPOQ-UHFFFAOYSA-N 303.431 2.996 0 50 DFAA O=C(NC1CCN(C2CCCC2)CC1)c1ccnc(Cl)c1 267165273 SDFPRUMUMXZRTG-UHFFFAOYSA-N 307.825 2.872 0 50 DFAA CC(C)Cc1ncc(-c2nc(-c3cc(O)ncn3)no2)s1 904099205 DGHKWHAEDOSLSJ-UHFFFAOYSA-N 303.347 2.554 0 50 DFAA Cc1nn(C)c(C)c1CNCc1cnn(-c2ccccc2F)c1 2325737699 XEAXYSJLJHTELN-UHFFFAOYSA-N 313.380 2.652 0 50 DFAA CC(C)(c1noc(-c2ccc(C(F)F)o2)n1)S(C)(=O)=O 2325774307 GUQFRELRTQKUFB-UHFFFAOYSA-N 306.290 2.547 0 50 DFAA C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccnc1 866067400 CUUZECKBXWDEAY-AAEUAGOBSA-N 320.393 2.601 0 50 DFAA O=S(=O)(NCc1ccco1)c1cccc(C(F)(F)F)c1 74675 NIXGLEBQOOUAAX-UHFFFAOYSA-N 305.277 2.777 0 50 DFAA COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1 403210 LHBHZALHFIQJGJ-CABCVRRESA-N 301.367 2.842 0 50 DFAA in-vitro CC(C)C(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 504405 LRKBITGGXNNVKA-CYBMUJFWSA-N 300.280 2.530 0 50 DFAA CC(C)c1ccc(CNC(=O)C(=O)NCCc2ccccc2)cc1 4702977 ICDCTJRUSSMWJJ-UHFFFAOYSA-N 324.424 2.785 0 50 DFAA COc1ccc(-c2noc(CN(C(C)=O)C(C)C)n2)cc1OC 4943587 MUBROJKCMHDWHN-UHFFFAOYSA-N 319.361 2.511 0 50 DFAA CC(C)Oc1ccccc1-c1ncc(F)c(N2CCOCC2)n1 67885519 FRQKDCRIVVMGFU-UHFFFAOYSA-N 317.364 2.907 0 50 DFAA CCN1CCC[C@@H](CNC(=O)Cc2c(C)[nH]c3ccccc23)C1 67896237 FHDDKHHNSFFKSI-HNNXBMFYSA-N 313.445 2.867 0 50 DFAA CC(C)c1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 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O=C(C/C=C/c1cccc(F)c1)NCc1nc(C(=O)O)cs1 124307586 DZFKUUHLWAKBQN-DUXPYHPUSA-N 320.345 2.700 0 50 DFAA Cc1nccc(C(=O)N2CCC(Nc3ccccc3F)CC2)n1 174080300 XGSVWPCSCWSNDF-UHFFFAOYSA-N 314.364 2.641 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2CNc1cc(C)nc2ncnn12 361615660 JVNURYNVSZXDRH-CQSZACIVSA-N 323.400 2.973 0 50 DFAA CN1C[C@]2(CCCN(CCCCOc3ccccc3)C2)OC1=O 72142170 DGDRXUQPNVPNFN-SFHVURJKSA-N 318.417 2.762 0 50 DFAA Cc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)n(C)n1 363829702 WTIUJIWYBVLQJO-UHFFFAOYSA-N 306.369 2.721 0 50 DFAA Cc1ccc2nc(C)cc(C(=O)N[C@@H]3CCc4[nH]ncc4C3)c2c1 77515719 CGTCAKHDMTUAGP-CQSZACIVSA-N 320.396 2.862 0 50 DFAA CCOc1ccccc1/C=C/C(=O)N1CCC[C@H]([C@H](C)N)C1 236890266 QKVCWXDROXCACQ-BJCHZKIZSA-N 302.418 2.684 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H]1C(=O)O 237253691 NNDDYOYJSURCQJ-CZUORRHYSA-N 317.385 2.581 0 50 DFAA O=C(COc1ccccc1)NCc1cc(-c2ccccc2)n[nH]1 219711559 FZWSSLVDBFQEDO-UHFFFAOYSA-N 307.353 2.772 0 50 DFAA Cc1ncsc1CNC(=O)[C@H]1CCN(c2ccccc2)C1 448911660 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305.403 2.738 0 50 DFAA CC(C)(O)CCn1ccnc1-c1ccc(Cn2cccn2)cc1 1857678469 HAUMDKRPDICAJN-UHFFFAOYSA-N 310.401 2.956 0 50 DFAA C[C@H]1CN(c2nnc(C(C)(C)C)o2)CCN1c1ccc(F)cn1 1857700793 MDCWJWKELGLGNK-NSHDSACASA-N 319.384 2.616 0 50 DFAA O=C1C[C@@]2(CCSC2)C(=O)N1CCSC1CCCCC1 328589327 NPAOTASIHXGXCE-OAHLLOKOSA-N 313.488 2.935 0 50 DFAA O=C(CC1CCCC1)N(Cc1cncnc1)[C@H]1CCCNCC1 328649861 VGWVQZWACFURPQ-KRWDZBQOSA-N 316.449 2.528 0 50 DFAA CC(C)(C)N(Cc1ccc(F)cc1)C(=O)C[C@H]1COC(=O)C1 123730251 MPIKUXRBMNNCQJ-CYBMUJFWSA-N 307.365 2.906 0 50 DFAA Cc1ncc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCCNCC1 638192938 MHRUWMCQWGTKMY-LBPRGKRZSA-N 315.339 2.623 0 50 DFAA CCc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)O)cc1 239284796 CBDMMLUXXBUSJP-YHPRMOQLSA-N 311.381 2.956 0 50 DFAA CC[C@H](O)CCNC(=O)c1cc2ccccc2n1CC1CC1 252499831 SFUXONVBMWVZLE-HNNXBMFYSA-N 300.402 2.942 0 50 DFAA CC1(C)C[C@@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)CCO1 151407963 HJRWCOQIELBXBL-VIFPVBQESA-N 320.315 2.525 0 50 DFAA 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DFAA Cc1c(-c2nc3ccccc3n2C)c2ccccc2n1CC(N)=O 63872355 XGORVHGDFKFMQA-UHFFFAOYSA-N 318.380 2.989 0 50 DFAA O=C1C[C@H](c2cccc3[nH]ccc23)c2c(nc3ccccn23)CN1 67725775 UOYNCLVNMPLCPO-CQSZACIVSA-N 316.364 2.967 0 50 DFAA CCc1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1 230163118 RTTMVFAUPCNBCH-CVEARBPZSA-N 309.431 2.581 0 50 DFAA O=C1C[C@H](c2ccccc2)N(Cc2ccc3cn[nH]c3c2)CCN1 121687032 JNLJDLIUAWGOSE-GOSISDBHSA-N 320.396 2.626 0 50 DFAA Cc1cccc(N2CCN(c3cc(Cl)nc(N)n3)CC2)c1C 1398026 KKYGJFWPNLEGLT-UHFFFAOYSA-N 317.824 2.656 0 50 DFAA CN(C)C(=O)CCc1cccc(N2C(=O)c3ccccc3C2=O)c1 36565526 YSPWZNSGCYNLQU-UHFFFAOYSA-N 322.364 2.508 0 50 DFAA CC(=O)N1CCC[C@H](CNC(=O)N2Cc3ccccc3[C@H]2C)C1 332298110 KPRSRWADLLRMAQ-UKRRQHHQSA-N 315.417 2.531 0 50 DFAA COc1ccc(F)c(CN2CCCC[C@@H]2CCNC(C)=O)c1 77518142 WDFOVLYNVFPAQR-OAHLLOKOSA-N 308.397 2.715 0 50 DFAA CCOc1c(CNC(=O)c2cccc(N)c2)cccc1OC 71762151 AKDYVQRXIHGVBN-UHFFFAOYSA-N 300.358 2.606 0 50 DFAA COc1coc(CN(C)[C@@H](C)c2nc(C)sc2C)cc1=O 77354656 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Cc1ccc2c(c1)C[C@H](C(=O)N=c1[nH]oc3c1CCCC3)S2 1875406026 VDAJWMNHBIUZFA-OAHLLOKOSA-N 314.410 2.939 0 50 DFAA Cc1csc([C@H]2CN(c3nncc4ccccc34)CCO2)n1 952874741 XNPBGYSHONANIR-CQSZACIVSA-N 312.398 2.973 0 50 DFAA CCc1nccn1[C@H](C)CC(=O)NC1CC(Cl)(Cl)C1 952993420 NGCYSTRNXCAXCF-SECBINFHSA-N 304.221 2.849 0 50 DFAA CCOc1ccnc(NCc2cc(Br)ccn2)n1 1875275781 MXIQLQBKMBGFHM-UHFFFAOYSA-N 309.167 2.645 0 50 DFAA Cc1cc2cc(NC(=O)c3cccc(-n4cnnc4)n3)ccc2o1 952861474 HAHJKYMEAFETMB-UHFFFAOYSA-N 319.324 2.969 0 50 DFAA CCC1(C(=O)O)CCN(C(=O)c2c(C)cccc2OC)CC1 952982157 XSDIFZTTWDJPFF-UHFFFAOYSA-N 305.374 2.721 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cn(C)c3ccccc23)C1 888077847 YWKDPBDAJNFFML-MLGOLLRUSA-N 324.384 2.504 0 50 DFAA O=C(NC1CCCC1)N1Cc2cccnc2N2CCC[C@@H]2C1 891399275 JGAINVSIAPHHCR-OAHLLOKOSA-N 300.406 2.518 0 50 DFAA COCc1nc(O)cc(N2CCC(c3ccsc3)CC2)n1 1774592677 KEYNFYCBPDNSCV-UHFFFAOYSA-N 305.403 2.774 0 50 DFAA CC(C)(C)c1nccn1CC(=O)N[C@@H]1CCOc2ccccc21 1775991399 KXKFTJDMXRRRPB-CQSZACIVSA-N 313.401 2.821 0 50 DFAA C=CC(=O)NCc1ccc(Oc2c(OC)cccc2OC)nc1 1335867106 PPULXZNJRLZKDB-UHFFFAOYSA-N 314.341 2.693 0 50 DFAA CC(C)C[C@](C)(CC(=O)O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 899850373 FYQJLWGRTBCYCM-UIMIYHRKSA-N 311.422 2.587 0 50 DFAA CC(C)OC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 1565506210 ULFHGZJQXQXBIP-CVEARBPZSA-N 303.406 2.523 0 50 DFAA CCn1cc([C@@H]2CN(c3cccc(F)c3C(C)=O)CCO2)cn1 276776808 NXLAVMXXSHILJN-INIZCTEOSA-N 317.364 2.823 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)o1 170067766 BXVMHQHVNDAQRN-QWRGUYRKSA-N 305.717 2.917 0 50 DFAA O=C(O)c1cccc(CNC(=O)c2cccc(-n3ccnc3)c2)c1 170591984 LAQNUYFXQDBNIQ-UHFFFAOYSA-N 321.336 2.501 0 50 DFAA C[S@](=O)c1ccc(NC(=O)Nc2ccc(O)cc2)cc1F 170600069 LKLVEMOXZFBSIO-NRFANRHFSA-N 308.334 2.913 0 50 DFAA C[C@H](C(=O)NCC(=O)Cc1cccc(Br)c1)C1CC1 585083353 URUCEHLIWFSBSE-JTQLQIEISA-N 324.218 2.723 0 50 DFAA CO[C@@](C)(C(=O)Nc1cccc(CCO)c1)c1ccccc1F 408520409 CIZNSZJHEDLYKK-GOSISDBHSA-N 317.360 2.861 0 50 DFAA Cc1csc(C(=O)N2CCNC(C)(C)C2)c1Br 191501094 UUFKIEAUIUCTCW-UHFFFAOYSA-N 317.252 2.643 0 50 DFAA COC[C@@H](NC(=O)CCc1cnn(C)c1)c1ccc(Cl)cc1 193497717 WSTRKFBXXGVJBS-OAHLLOKOSA-N 321.808 2.510 0 50 DFAA C[C@H](O)CN(C(=O)Nc1ccc2c(c1)CCCC2=O)C1CC1 654104504 GVYCTLHAXYOTDG-NSHDSACASA-N 302.374 2.583 0 50 DFAA CCNc1nc(C(=O)N2CCc3cccc(OC)c3C2)cs1 665546576 OYHAHIYENZYWAN-UHFFFAOYSA-N 317.414 2.782 0 50 DFAA O=C(Nc1cccc(CN2CCCC2=O)c1)c1cccc(F)n1 763720058 NRBGFRCZBUSBJW-UHFFFAOYSA-N 313.332 2.595 0 50 DFAA Cc1n[nH]c(C)c1CCCN(C)c1nccc(C(F)(F)F)n1 1529134159 NEPHNCFLBRYFAH-UHFFFAOYSA-N 313.327 2.904 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(F)cc2)C1 13497347 NKONYPDTYMCXDK-LLVKDONJSA-N 310.394 2.798 0 50 DFAA COc1cc(/C=C/C(=O)OCCc2ccc(O)cc2)ccc1O 14503833 JMSFLLZUCIXALN-WEVVVXLNSA-N 314.337 2.906 0 50 DFAA endogenous,in-man Cc1cc(C)c(C)c(OCCN(C)C[C@H]2CCC(=O)N(C)C2)c1 1857705329 CKOCPOABWGOPCG-QGZVFWFLSA-N 318.461 2.791 0 50 DFAA COCc1ccccc1C(=O)N1CCC[C@H](CCC(=O)O)C1 237168363 JPFJMLKEOLESDF-CYBMUJFWSA-N 305.374 2.550 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 237952755 WUBWTJWHHHHIIV-NSHDSACASA-N 315.291 2.571 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCCN(Cc3ccco3)C2)nc(C)n1 1875241711 YVOGEHBEZMVWIT-AWEZNQCLSA-N 314.389 2.537 0 50 DFAA CCOC[C@@H]1CCN(C(=O)C2CC(O)(CCC(C)(C)C)C2)C1 408519555 MTESSKIKZDQMHC-KSTDHSDQSA-N 311.466 2.839 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 4651075 AVKSDUWCHYEFDI-WDEREUQCSA-N 309.749 2.954 0 50 DFAA C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCNC(=O)[C@H]1C[C@H]1C 230195685 PSZJDLQGVPOBKT-URLYELCFSA-N 314.429 2.589 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 347410953 OJKPPNKYZRGNRE-JTQLQIEISA-N 320.780 2.569 0 50 DFAA O=C(c1ccoc1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 378333292 CHHVKBVPWWDALS-INIZCTEOSA-N 305.761 2.753 0 50 DFAA Cc1c(C(=O)Nc2ccccc2CC(=O)O)cnn1C(C)C 262796855 QVLGVWHVLVHBAG-UHFFFAOYSA-N 301.346 2.652 0 50 DFAA O=C(c1ccnc(N2CCCC2)n1)N1CC[C@@H](c2ccccc2)C1 265817903 ZZTOKZNOZUZEDP-MRXNPFEDSA-N 322.412 2.707 0 50 DFAA Cc1cnc(Br)c(NC(=O)[C@@H](C)OCC2CC2)c1 1119556613 RHYOGBUTKYVQHM-SECBINFHSA-N 313.195 2.906 0 50 DFAA CCCNC(=O)c1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 857848532 JWPNEWUOHABONG-MRXNPFEDSA-N 312.417 2.717 0 50 DFAA O=C(COCC1CCC1)Nc1ccc(NC(=O)C2CCC2)cn1 2325790961 ANJDVPYDESEQHI-UHFFFAOYSA-N 317.389 2.575 0 50 DFAA Cc1nc(CN(C)C(=O)c2nccc3c2[nH]c2ccccc23)no1 2325815780 JFQIIRVKOXMSKE-UHFFFAOYSA-N 321.340 2.680 0 50 DFAA CCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 96958 PVZQUNQVFBBAPG-UHFFFAOYSA-N 322.364 2.874 0 50 DFAA CC[C@@H](Sc1nncn1C)C(=O)Nc1ccc(Cl)cc1 314210 VJNGVOLKDPLITJ-LLVKDONJSA-N 310.810 2.978 0 50 DFAA CC(C)(C)N1C[C@H](C(=O)N2CCCc3ccccc32)CC1=O 6730331 BSNDYOLWQBTKRW-CQSZACIVSA-N 300.402 2.613 0 50 DFAA COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c1 8247776 IVOJKSVXFOMMKR-AWEZNQCLSA-N 324.380 2.995 0 50 DFAA COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(F)cc1 8535077 RYXONKIPGPGLBH-CYBMUJFWSA-N 319.376 2.884 0 50 DFAA CC(C)C[C@@H](CN)NC(=O)NC[C@@H]1CSc2ccccc21 418270291 ZRQDYTNLQLTDDR-OLZOCXBDSA-N 307.463 2.549 0 50 DFAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1Cn1cccn1 247956156 VNJUZTCUNLFJEL-GVDBMIGSSA-N 313.376 2.817 0 50 DFAA C/C(=C\c1ccccc1)CN1CCN(C(=O)c2ccccn2)CC1 351003224 SZUMXLVUPYFBCK-BMRADRMJSA-N 321.424 2.943 0 50 DFAA Cc1cccc(OC2CN(C(=O)CCc3n[nH]c(C)c3C)C2)c1 67677631 RKPNRQBZVWDOIJ-UHFFFAOYSA-N 313.401 2.557 0 50 DFAA Cn1cc(N2CCC[C@@H](Nc3ccc4c(c3)CCC4)C2=O)cn1 173800621 TYROIMNDNQLYQS-QGZVFWFLSA-N 310.401 2.516 0 50 DFAA Cn1cc(C(=O)NCCc2ccccc2)c(=O)c2ccccc21 32497088 MFCXLHXZUHTXIB-UHFFFAOYSA-N 306.365 2.511 0 50 DFAA CC(C)(C)n1cc(CN2CCC(Cc3cccnc3)CC2)nn1 253430368 KVEMIKAZSYEAMU-UHFFFAOYSA-N 313.449 2.883 0 50 DFAA Cc1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)ccc1OC(C)C 152849220 TVZLBIFRWRVZTA-ZDUSSCGKSA-N 304.390 2.589 0 50 DFAA Cn1ccnc1[C@H]1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 328586325 ZAUBTCIXXACLRT-STQMWFEESA-N 311.376 2.952 0 50 DFAA CC(C)N1CCC[C@H](CN(C)Cc2cccc(CCN)c2)C1 72151032 OGVNLJAHNQVZND-LJQANCHMSA-N 303.494 2.740 0 50 DFAA CCN(CC)CCNC(=O)c1cc(N2CCCCCC2)ccn1 71774463 NMUODQUEFWCDMP-UHFFFAOYSA-N 318.465 2.534 0 50 DFAA Cc1cccn2c(CN(C)C[C@@H]3CCc4nccn4C3)cnc12 328646124 SKAUJKCRFRDWGR-HNNXBMFYSA-N 309.417 2.534 0 50 DFAA CSc1nsc(NC(=O)c2cc(=O)c3ccccc3o2)n1 32593829 WVVHJMZYJKUONH-UHFFFAOYSA-N 319.367 2.619 0 50 DFAA CN(Cc1ccccc1OC1CCCC1)C[C@@H]1COCCO1 216428839 AKWOWFLGOPQVIP-QGZVFWFLSA-N 305.418 2.855 0 50 DFAA CN(C)c1nccc(CN[C@H]2CC(C)(C)Cc3occc32)n1 331801041 JMUUAUYCMSYCNZ-AWEZNQCLSA-N 300.406 2.939 0 50 DFAA CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)no1 124529145 QUQOKMTVDKYBEV-CZUORRHYSA-N 317.433 2.887 0 50 DFAA COCc1nccc([C@@H]2CCCN(Cc3ncccc3C)C2)n1 378384985 PJYAUVJGJRTQDH-OAHLLOKOSA-N 312.417 2.706 0 50 DFAA CNC[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1 237180392 PDEYRRUQATVCGV-LBPRGKRZSA-N 314.351 2.706 0 50 DFAA COc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1C 237231900 QXMCBMGVEXJPOE-AWEZNQCLSA-N 305.374 2.863 0 50 DFAA Cc1cccc(OCCC(=O)N2CCC[C@@H]([C@H](C)N)C2)c1C 237465008 UJTKLOQYEFBNIZ-JKSUJKDBSA-N 304.434 2.658 0 50 DFAA Cn1nc(C(=O)N2CC[C@@H]2Cc2ccccc2)c2c1CCCC2 450029079 QRRNGMSVRFFFIK-OAHLLOKOSA-N 309.413 2.756 0 50 DFAA C[C@@H]1C[C@@H](C)N(C(=O)C(F)F)C[C@H]1CNC(=O)OC(C)(C)C 496757242 KJVOXYDXCXFNJF-GMTAPVOTSA-N 320.380 2.649 0 50 DFAA Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)c1 47976644 SHJRSWGEBAZEPR-CQSZACIVSA-N 303.406 2.636 0 50 DFAA Cc1cc(Cl)ccc1OCC(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 222300676 YAJAGRVNJSFELO-CABCVRRESA-N 322.836 2.722 0 50 DFAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 91603375 FBILEKYHRACDCE-DZGCQCFKSA-N 320.820 2.813 0 50 DFAA CCCN(c1nc2c(s1)c(C)nn2C)[C@@H]1CCCC[C@H]1O 96136721 BLPZZLZBHSBPIZ-VXGBXAGGSA-N 308.451 2.858 0 50 DFAA CSCC(=O)N1CCC(c2nccn2CC2CCC2)CC1 91526185 MZQLBZHVQHWOAL-UHFFFAOYSA-N 307.463 2.752 0 50 DFAA CC1(C)CN(C(=O)c2ccc(OC(F)F)cc2)CC[C@]1(C)O 91915448 DZDXNVHCSJQTNO-INIZCTEOSA-N 313.344 2.911 0 50 DFAA CC[C@H](C(=O)NCc1c[nH]nc1-c1cccs1)n1cccn1 92077201 IVVSNQVKYIUVQO-GFCCVEGCSA-N 315.402 2.602 0 50 DFAA CC1(C)C[C@@]1(C(=O)N1CCc2n[nH]cc2C1)c1ccc(F)cc1 91616735 OITXOYULUZWNEN-SFHVURJKSA-N 313.376 2.801 0 50 DFAA CCCCOc1ccc(NC(=O)N2CC[C@@H](NC(C)=O)C2)cc1 96152477 ZVIQPDATRIDLPU-OAHLLOKOSA-N 319.405 2.608 0 50 DFAA CCc1cc(C(=O)N2CCc3ccc(F)cc3[C@H]2C)cc(=O)[nH]1 97756398 JTDGIPICTBEQLO-LLVKDONJSA-N 314.360 2.836 0 50 DFAA COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(O)n1)[C@H]2C 332498122 FOEGQUIVKIUJCZ-RYUDHWBXSA-N 312.369 2.944 0 50 DFAA COc1ccc(CCCC(=O)NC2(C(=O)O)CCCC2)cc1 237200314 WIONZGKQUMPERB-UHFFFAOYSA-N 305.374 2.532 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)cs1 296149813 XVRJMFQKICZBAT-SWLSCSKDSA-N 319.430 2.781 0 50 DFAA COc1cccc(Cn2ncnc2-c2cnc(C3CC3)nc2)c1 91365051 YGNCYQSRHQOJJP-UHFFFAOYSA-N 307.357 2.669 0 50 DFAA C[C@H](c1ccc(C(=O)NCc2ccon2)o1)N1CCCCC1 97301319 IJERVQOLOCQXOW-GFCCVEGCSA-N 303.362 2.745 0 50 DFAA Cc1ccsc1CNC(=O)N[C@H]1COc2ccccc2C1 298670347 GVPVKXCVBPULHA-CYBMUJFWSA-N 302.399 2.859 0 50 DFAA Cc1nc([C@@H](C)NC(=O)Cc2n[nH]c3ccccc23)cs1 340999474 VUDMQTCGOLVHQF-SECBINFHSA-N 300.387 2.748 0 50 DFAA Cc1nn(-c2ccccc2)cc1NC(=O)NC1(CO)CCCC1 183683554 WVCHMAJKVCGVJP-UHFFFAOYSA-N 314.389 2.607 0 50 DFAA Cc1cc(C)c(CC(=O)N[C@H](CCO)c2ccco2)c(C)c1 183825845 HKYWKTMPUYHDOX-MRXNPFEDSA-N 301.386 2.987 0 50 DFAA O=C1c2ccccc2C(=O)N1Cc1cc2ccccc2nc1O 253496707 ZHDVNPYNDMGPJS-UHFFFAOYSA-N 304.305 2.737 0 50 DFAA Cc1noc([C@H]2CN(Cc3cccc4[nH]ccc34)C[C@@H](C)O2)n1 628444366 DCJFRUPPMIFWKA-BDJLRTHQSA-N 312.373 2.821 0 50 DFAA N[C@@H]1CCCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)C1 299773662 DSSNPMUBILPJIE-SNVBAGLBSA-N 305.275 2.800 0 50 DFAA Cc1nc(-c2cccc(NC(=O)c3cc(C(F)F)[nH]n3)c2)n[nH]1 828209948 JMAGTPHBERGOTA-UHFFFAOYSA-N 318.287 2.693 0 50 DFAA CCCc1ncncc1C(=O)N(C)Cc1cnc2ccccc2n1 584902679 MMULBEXBPPTEFL-UHFFFAOYSA-N 321.384 2.645 0 50 DFAA CCCOc1cccc(NC(=O)NCc2cccnc2N)c1 685945081 SSPCOFZOJHTKGS-UHFFFAOYSA-N 300.362 2.774 0 50 DFAA Cc1cc2[nH]c(C(=O)N3CCCc4c(cnn4C)C3)cc2s1 1875283730 CRSUYNVDPLCMDY-UHFFFAOYSA-N 314.414 2.860 0 50 DFAA C[C@@H]1CC(Cn2nnc(-c3ccccc3C(F)(F)F)n2)=NO1 1875304931 ZWFISXHQKSHQQF-MRVPVSSYSA-N 311.267 2.524 0 50 DFAA Cc1ccc2[nH]c(CN(C)C[C@@H](C)N3CCOCC3)c(C)c2c1 952972402 GSFLEODSWFQZRI-OAHLLOKOSA-N 315.461 2.937 0 50 DFAA Cc1nc(N[C@H](CO)Cc2cncs2)c2c(C)csc2n1 894967002 WZFLDSHLBCJOMA-JTQLQIEISA-N 320.443 2.780 0 50 DFAA O=C(N[C@H]1CCOC[C@@H]1OCC1CCC1)c1cccn1C1CC1 1565516427 POTFDINWAPDVOC-RDJZCZTQSA-N 318.417 2.527 0 50 DFAA O=C(c1cccnc1-c1cccc(CO)c1)N1C[C@@H]2CC[C@H]1C2 1565528979 FTGRFICTQQAFGZ-CJNGLKHVSA-N 308.381 2.865 0 50 DFAA COc1cccc(F)c1NC(=O)N1CC[C@H](c2cnn(C)c2)C1 186152841 ZWCLOBFVZPMJTG-NSHDSACASA-N 318.352 2.589 0 50 DFAA CSc1sc(NC(=O)[C@H]2NCCc3ccccc32)nc1C 170677545 ZSWWNIXVQKFZRR-LBPRGKRZSA-N 319.455 2.999 0 50 DFAA CCC1(CC)CN(Cc2ccc3cn[nH]c3c2)CC[S@]1=O 187553076 BPBMTRWLNRVGKV-OAQYLSRUSA-N 305.447 2.686 0 50 DFAA O=C(N[C@H]1COc2ccccc2C1)c1cccc(-n2ccnc2)c1 172107749 OTEUJZVTHWFWKI-MRXNPFEDSA-N 319.364 2.606 0 50 DFAA Cc1cc(N2CCN(CC[C@H]3CCCO3)CC2)nc(C(C)C)n1 188693614 UQGWTGKOBUWHHT-MRXNPFEDSA-N 318.465 2.600 0 50 DFAA CN1Cc2cc(NCc3c(Cl)cnn3C)ccc2NC1=O 189414261 LBGGFUMKWYRZQX-UHFFFAOYSA-N 305.769 2.663 0 50 DFAA CCCN1CCC[C@H]1CNC(=O)[C@@]1(C)CCc2ccccc21 648902827 OJVYFPWRAGDDGV-LPHOPBHVSA-N 300.446 2.881 0 50 DFAA Cc1[nH]nc2ccc(C(=O)NC(C)(C)CCCN(C)C)cc12 585110561 GRFFXEAMUCABBK-UHFFFAOYSA-N 302.422 2.722 0 50 DFAA COc1cccc([C@@H](C)N(C)C(=O)CCc2ccnn2C)c1 1506400112 UBOVDIAVADOEMH-CYBMUJFWSA-N 301.390 2.581 0 50 DFAA Cc1cccc(Cc2nnc(NC(=O)[C@@H]3CCCO3)s2)c1 1529145054 AITGLTGBWPHEBX-LBPRGKRZSA-N 303.387 2.555 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2csc(C(F)(F)F)n2)C1 353766583 KLAFNNZIEFZGCD-MRVPVSSYSA-N 308.325 2.661 0 50 DFAA CCc1nccn1[C@@H](C)CC(=O)N1CC(Nc2ccccc2)C1 1615001671 ZGXJUXCJNVWZBH-AWEZNQCLSA-N 312.417 2.720 0 50 DFAA O=C(Cc1cccnc1)N1CCO[C@H](CCCc2ccccc2)C1 12320598 QLIBIANXLVKDEF-LJQANCHMSA-N 324.424 2.874 0 50 DFAA COCCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 12404274 GGOZBCUYTRVHDH-UHFFFAOYSA-N 319.405 2.517 0 50 DFAA O=C(Nn1c(S)nnc1-c1cccs1)c1cccs1 12958682 DJGZXZWSSRATOI-UHFFFAOYSA-N 308.413 2.741 0 50 DFAA FC(F)(F)c1nnc2ccc(N3CCc4ccccc4C3)nn12 14242532 UJFIIUVNTIEHBS-UHFFFAOYSA-N 319.290 2.706 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCN=C2Cc2ccccc2)cc1 19874390 LWSGHBFWDPNAHV-UHFFFAOYSA-N 314.410 2.641 0 50 DFAA O=C(c1cnccn1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 169754627 DCKGNFSMKPLVGE-AWEZNQCLSA-N 321.340 2.504 0 50 DFAA CCCc1ccc(-c2nccn2CC2(CO)CCOCC2)o1 1857722267 FIEQHCMYBIEAAN-UHFFFAOYSA-N 304.390 2.885 0 50 DFAA CN1Cc2cc(-c3ncc(C(=O)O)cc3Cl)ccc2C1=O 1875247698 OSJABRASNXQLJA-UHFFFAOYSA-N 302.717 2.686 0 50 DFAA CCn1cc(CC(=O)Nc2cc(-c3ccccc3C)nn2C)cn1 225733496 CVEHNCKLTWXLPA-UHFFFAOYSA-N 323.400 2.793 0 50 DFAA CN(C(=O)NCCCc1nc2ccccc2[nH]1)[C@@H]1CCSC1 119460521 QXOIYODIDVEVGC-GFCCVEGCSA-N 318.446 2.642 0 50 DFAA CC(C)=CCC[C@@H](C)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1 328626756 MAYBQBXOWVJNCL-RVKKMQEKSA-N 318.465 2.664 0 50 DFAA Cn1ccc(NC(=O)N2CCC[C@@]2(C)Cc2ccccc2F)n1 646252873 QYMSQUSWUOPFNC-KRWDZBQOSA-N 316.380 3.188 0 50 DFAA COc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](N)C2)c1 237254366 BUNQVWRLIHYXSX-CYBMUJFWSA-N 311.385 2.612 0 50 DFAA Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)c1 237667156 HUVCMKLBJXXBCS-IRXDYDNUSA-N 316.445 2.801 0 50 DFAA Cc1c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)cnn1C 158435000 KECDEXWELDXFQT-UHFFFAOYSA-N 315.764 2.820 0 50 DFAA c1ccc(-c2nnnn2Cc2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)cc1 904101462 AWXWRHLMWCXKMJ-BFHYXJOUSA-N 322.372 2.675 0 50 DFAA CCc1nc(OC)ccc1NC(=O)CC1CCC(C(=O)O)CC1 907887471 PCOGRFIOMADEGO-UHFFFAOYSA-N 320.389 2.872 0 50 DFAA O[C@@H](CN1CC[C@H](n2cc(Cl)cn2)C1)c1cccc(F)c1 810132116 WEVGRELEZZZZEQ-GJZGRUSLSA-N 309.772 2.656 0 50 DFAA Cc1cc(C[C@H]2CCC[C@@H]2NCc2scnc2C)n(C)n1 850397912 KCWQLEWAXNSXNQ-HIFRSBDPSA-N 304.463 2.994 0 50 DFAA O=C(O)/C=C\C(=O)Nc1ccc(Br)c(Cl)c1 4963936 GFBRARZNPGXCKF-ARJAWSKDSA-N 304.527 2.682 0 50 DFAA CCOC(=O)N1CCN(c2cc3[nH]c(=S)[nH]c3cc2F)CC1 6492367 VCSNQDQAKBSYLT-UHFFFAOYSA-N 324.381 2.643 0 50 DFAA Cc1ccccc1N1C(=O)C(Cl)=C(N2CCCCC2)C1=O 121807 GTFLRFXRDGTTBJ-UHFFFAOYSA-N 304.777 2.805 0 50 DFAA COc1cc(C=O)ccc1OCC(=O)N[C@H](C)c1ccccc1 336089 UMZZIPNKGKXVDW-CYBMUJFWSA-N 313.353 2.764 0 50 DFAA CNC(=O)Nc1ccc(Cc2ccc(NC(=O)NC)cc2)cc1 396673 URHYYNIWSKTHNX-UHFFFAOYSA-N 312.373 2.780 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2)CC1 2356157697 RFGCMBBAYFGVHT-XYPYZODXSA-N 302.296 2.788 0 50 DFAA COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1 4841953 CKWGUVUEYTZTEF-UHFFFAOYSA-N 315.398 2.834 0 50 DFAA COc1ccc(-c2ccc(CNc3nnnn3C)o2)cc1Cl 4998585 UNNBFDQHTKNOSZ-UHFFFAOYSA-N 319.752 2.744 0 50 DFAA CC(C)[C@@H]1CN(C)CCN1C(=O)NC[C@H]1C[C@@H]1c1ccccc1 247364117 MUJWPZPCDZIZJP-KURKYZTESA-N 315.461 2.772 0 50 DFAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CCC[C@@H](C)C1)CC2 247396378 MIFZLCUHVKEXME-FXUDXRNXSA-N 309.450 2.591 0 50 DFAA Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2Cn2cccn2)c1 248100758 OZWHRRBPMKOIFO-OKZBNKHCSA-N 309.413 2.986 0 50 DFAA Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2cccnc2)c(C)c1 67755796 GQGAJGKKRODFQD-CQSZACIVSA-N 311.385 2.857 0 50 DFAA Cc1ccc(-n2nc(NC(=O)N[C@@H]3CC[C@H](F)C3)cc2C)cc1 350811287 KFJMAWXILHDYIF-UONOGXRCSA-N 316.380 3.501 0 50 DFAA CCc1nc(C)c([C@@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)[nH]1 67642202 SWVPRQNNQVZCKB-SNVBAGLBSA-N 315.421 2.786 0 50 DFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@H]2CCNC3(CCCCC3)C2)[C@@H]1C 316544987 OTYUMSCUCJLADP-DGADGQDISA-N 308.466 2.617 0 50 DFAA CCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1 358845801 OCENFQMRBCFTSH-UHFFFAOYSA-N 319.405 2.807 0 50 DFAA Cc1noc(C)c1CCC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 252505833 NPLAYMCVKTXJCK-NUEKZKHPSA-N 306.406 2.544 0 50 DFAA CO[C@H](C)c1nc(C)c(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)s1 121553694 DHYFCMRYXCYKIF-WXHSDQCUSA-N 324.446 2.846 0 50 DFAA COc1ccc2oc(=O)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1 2707900 HJJOPYBJWWNYGZ-RYUDHWBXSA-N 315.369 2.920 0 50 DFAA biogenic CSCCCN(C)C[C@@H]1C[C@H](F)CN1Cc1cc(C)no1 328657034 ZXTVZPJLBYEGGN-KBPBESRZSA-N 315.458 2.580 0 50 DFAA Cc1ccc([C@H]2CCCN2C(=O)NCCc2cn[nH]c2)s1 358184434 HARVOUIRFRYVJR-CYBMUJFWSA-N 304.419 2.869 0 50 DFAA NCCNCCCCOc1ccc(OCc2ccccc2)cc1 39960872 OQFWGVRRNAAKLS-UHFFFAOYSA-N 314.429 2.973 0 50 DFAA O=C(N[C@@H]1CCCC[C@H]1CO)[C@H]1CC[C@@H](c2ccccc2)O1 367719534 IEONJBFZQDLGME-VVLHAWIVSA-N 303.402 2.574 0 50 DFAA Cc1ccccc1[C@H](NC(=O)c1cnn(C)c1)c1ccncc1 71752603 LETUEWDZBFQWCW-QGZVFWFLSA-N 306.369 2.643 0 50 DFAA CN1CCC(N(Cc2cccnc2)Cc2cscn2)CC1 72132076 YQURPDXZGJEENB-UHFFFAOYSA-N 302.447 2.635 0 50 DFAA CCCSc1ncc(CN2CCC3(CCNCC3)CC2)cn1 72126413 HQLAGJZMXCGWDS-UHFFFAOYSA-N 320.506 2.944 0 50 DFAA COc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccccn2)s1 77541601 YFXYKNPPOZSHEB-GFCCVEGCSA-N 303.387 2.832 0 50 DFAA Cc1ccc2oc(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)c(C)c2c1 77541124 FKPWKSRHJZJDDC-CYBMUJFWSA-N 314.385 2.789 0 50 DFAA CCc1cccc(NC(=O)CN2CC[C@H](n3cc(C)cn3)C2)c1 289788035 HPPFZELLFYZFQZ-KRWDZBQOSA-N 312.417 2.639 0 50 DFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccsc3)CC2=O)cc1 82092912 OIVCQGJCRHCVSJ-ZDUSSCGKSA-N 314.410 2.934 0 50 DFAA COC(=O)c1cc(-c2ccc(OC)cc2)nc2c(Cl)cnn12 20605619 WMCLUGJLFGMTFR-UHFFFAOYSA-N 317.732 2.845 0 50 DFAA CC(C)c1nccc(C(=O)NCCc2nc3ccccc3o2)n1 426414758 SVJIDJOTXBEPDP-UHFFFAOYSA-N 310.357 2.714 0 50 DFAA CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 98213392 VQUGQCMRKRLMOF-UHFFFAOYSA-N 310.781 2.924 0 50 DFAA Cc1noc2nc3c(c(-c4nc(-c5cccnn5)no4)c12)CCC3 95507169 BVCXNVUKPRTFLX-UHFFFAOYSA-N 320.312 2.527 0 50 DFAA O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(C(=O)O)nc1 238053820 NYZCTXRIVONBDF-ZJUUUORDSA-N 316.279 2.631 0 50 DFAA Oc1ccc(-n2cccc2)cc1-c1nc(-c2cccnn2)no1 91808959 LPMUWGCJJXUIGM-UHFFFAOYSA-N 305.297 2.690 0 50 DFAA O=C1C[C@H](N2C[C@@H]3CCCC[C@H]3C2)C(=O)N1c1ccc(F)cc1 245256874 UMVFUVFZVDCMSH-XEZPLFJOSA-N 316.376 2.580 0 50 DFAA CC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)[C@H]1C[C@H](O)C1 244723500 MCTCAUKSNHSIDK-QEJZJMRPSA-N 300.402 2.766 0 50 DFAA N[C@H]1C[C@H](c2cc(NCCc3ccncc3)nc(C3CC3)n2)C1 244816941 SRNPJRKSJZDIND-SHTZXODSSA-N 309.417 2.608 0 50 DFAA COc1cc(C(=O)N2CCN(C3CC3)c3ccccc32)sn1 626532210 PTINAYWJHDPECT-UHFFFAOYSA-N 315.398 2.781 0 50 DFAA COc1cc(C)ccc1S(=O)(=O)n1cnc2ccccc21 256030238 LAPWULZRFYISKW-UHFFFAOYSA-N 302.355 2.590 0 50 DFAA O=c1c(=Cc2cccc(F)c2)sc2nc(-c3ccccc3)nn12 254532119 UKMUSQXOJFAGMW-UHFFFAOYSA-N 323.352 2.505 0 50 DFAA CCOC(=O)c1csc(NC(=O)CCn2c(C)ccc2C)n1 253414528 XSVLIGNXTAHJSO-UHFFFAOYSA-N 321.402 2.767 0 50 DFAA O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCNCC1 534669286 MMMYGJBVXNWLCN-LBPRGKRZSA-N 300.324 2.711 0 50 DFAA O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CCNCC2 261917050 HGLMZFMSYLZSQV-ZDUSSCGKSA-N 312.335 2.711 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)N1CC(c2ccccn2)C1 913370036 ZJEYWGHLLDXMOD-UHFFFAOYSA-N 302.761 2.609 0 50 DFAA CN(C)C/C=C/C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1875379379 SBLUTPLFIABISK-MYNUTGAYSA-N 314.429 2.705 0 50 DFAA C[C@]12CC[C@@]1(C)CN(C(=O)c1cc3occ(C(=O)O)c3[nH]1)C2 1875315989 PRZDFIHGCBAXCQ-IYBDPMFKSA-N 302.330 2.721 0 50 DFAA Cc1ncccc1C(=O)N1C[C@H](C(=O)O)C[C@H](c2ccccc2)C1 1875270913 HJOVOUOOESUGHZ-JKSUJKDBSA-N 324.380 2.721 0 50 DFAA C[C@@H]1CCC[C@H](CN2C(=O)C[C@@H](C3CCOCC3)NC2=O)[C@@H]1C 1875278894 SVIHRTMSRWPUPO-XOUADPBQSA-N 322.449 2.796 0 50 DFAA COc1cc(NC(=O)CC2CCCCC2)cc(-n2cnnn2)c1 952991792 VSHVCURMHBJCBS-UHFFFAOYSA-N 315.377 2.580 0 50 DFAA O=C(O)[C@@H](CNCc1cccc2ccoc12)C1CCOCC1 888099626 FEEZYBGKMOEMIW-HNNXBMFYSA-N 303.358 2.650 0 50 DFAA C[C@H](c1cnn(C)c1)c1nc([C@@H]2CCOC3(CCC3)C2)no1 897112449 MOFBBLKZBVDSFG-VXGBXAGGSA-N 302.378 2.772 0 50 DFAA CCn1ccnc1CN1C[C@@H]2CC[C@H](C1)CN2CC=C(C)C 1565527812 PEPNFJLMRMDTDY-SJORKVTESA-N 302.466 2.765 0 50 DFAA Cn1nccc1/C=C/c1nc(-c2ccccc2)ncc1C(=O)O 170091803 GSIZNQQNMJRGFL-BQYQJAHWSA-N 306.325 2.746 0 50 DFAA Cc1noc(C)c1CC(=O)N(c1ccccc1)[C@@H]1CCOC1 170090571 RMBRJLMTMBEVDE-OAHLLOKOSA-N 300.358 2.656 0 50 DFAA C[C@H](NC[C@H](C)[S@](C)=O)c1ccccc1Br 170062539 HVGVWGDVXSOYOS-PUTJDCORSA-N 304.253 2.867 0 50 DFAA Cc1cncc(/C=C/C(=O)N2CCc3ccccc3[C@@H]2CO)c1 170599350 FWTPPFBLOBSWPO-DKFQHHCZSA-N 308.381 2.522 0 50 DFAA O=C(NC[C@@H]1CCSC1)[C@@H]1CCCN(Cc2ccccc2)C1 279085218 ARTMULWSPFVGRT-DLBZAZTESA-N 318.486 2.768 0 50 DFAA CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N(C)C1CCCC1 170610573 JMGMJDNZZYIOPK-INIZCTEOSA-N 320.408 2.981 0 50 DFAA CN(C)c1ccnc(C(=O)N(CC2CC2)CC(F)(F)F)c1 170603300 XVLAFDDWZMFOQJ-UHFFFAOYSA-N 301.312 2.562 0 50 DFAA CSC[C@@H](C)C(=O)N[C@H](C)c1cc(Br)no1 585130947 GTWPRXIZTTYWPZ-RNFRBKRXSA-N 307.213 2.613 0 50 DFAA CC(C)c1ccc2ncnc(SCCS(C)(=O)=O)c2c1 408518438 HTUDNRYSXGGZEH-UHFFFAOYSA-N 310.444 2.890 0 50 DFAA Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C[C@@H]3C=CCCC3)C2)n1 189639896 OMEINMROHIZUTE-IAGOWNOFSA-N 316.449 2.880 0 50 DFAA CN(C)C(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 707847326 HFBLYSOFWCWLRW-OWSLCNJRSA-N 313.445 2.510 0 50 DFAA CO[C@@H](C)CS(=O)(=O)N[C@@H](C)c1cc2ccccc2s1 195233317 XGWPNRYGPZLHAZ-QWRGUYRKSA-N 313.444 2.917 0 50 DFAA CN(CC[C@H]1CCCCO1)c1nc2cc(C(=O)O)ccc2n1C 1529110278 KYDHUTAHEXZVOZ-CYBMUJFWSA-N 317.389 2.667 0 50 DFAA CCCN(C(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1F 1848442304 FXMSNSUWSDJUSD-XDAAZBQQSA-N 317.360 2.766 0 50 DFAA OCCOc1cccc(-c2nccn2-c2cccc3c2CCO3)c1 1772808171 HRZDUBKXTPEYIU-UHFFFAOYSA-N 322.364 2.845 0 50 DFAA CCCCn1nc(CC(N)=O)nc1-c1scc2c1CCCC2 1857667363 KPBVEFKPSNFYJJ-UHFFFAOYSA-N 318.446 2.713 0 50 DFAA C/C=C/CN1CC[C@@H](O)[C@]2(CCCN(C(=O)CCC(C)C)C2)C1 1857706728 OQWANOPWCVTDAY-MSIWKICXSA-N 322.493 2.674 0 50 DFAA O=C(NCc1ccc2c(c1)CCCO2)c1ccn2nccc2c1 1857737220 BRVZWPXJTWXWEF-UHFFFAOYSA-N 307.353 2.589 0 50 DFAA CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 248381034 RXPRTPLKUKKLMV-UOVKNHIHSA-N 301.342 2.547 0 50 DFAA O=C(NCCc1cn[nH]c1)N1CCC[C@@H]1c1ccc(F)cc1F 454973331 LVDQQVRJAQRLKO-OAHLLOKOSA-N 320.343 2.777 0 50 DFAA COc1ccc(OC)c(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)c1 13154115 UZBLAPBMBANIMA-TXEJJXNPSA-N 313.419 2.655 0 50 DFAA COC(=O)NCc1ccc(NC[C@H]2Cc3ccccc3O2)cc1 252487541 HXLDEJNTBLZLEA-MRXNPFEDSA-N 312.369 2.958 0 50 DFAA Cc1cnc(NC(=O)Cc2c(C)noc2C)c(Br)c1 162753156 HRXURKAJGMRUNY-UHFFFAOYSA-N 324.178 2.939 0 50 DFAA C[C@H](N)C1CCN(C(=O)c2ccc(F)c(C(F)F)c2)CC1 911754248 TUOALFWRPUPPJP-VIFPVBQESA-N 300.324 2.963 0 50 DFAA Cc1nc(CNC[C@@H](O)c2ccccc2C(F)(F)F)[nH]c1C 850079900 HDMDRBUGQCMJLO-CYBMUJFWSA-N 313.323 2.869 0 50 DFAA O=C(c1c[nH]nc1C1CCCCC1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100540742 OGYGXEDPZARDBY-XMQYKBBCSA-N 317.433 2.833 0 50 DFAA NC(=O)c1cccc(NCc2ccc(-n3ccnc3)c(F)c2)c1 2325721031 KTMFSCVLQDXQFZ-UHFFFAOYSA-N 310.332 2.722 0 50 DFAA Cc1ccccc1[C@H]([C@@H](C)N=c1[nH]cnc2cnccc12)N(C)C 2325751985 NPURETQAIPKSSF-KDOFPFPSSA-N 321.428 2.858 0 50 DFAA OC1(CNCc2cccc(-c3cn[nH]c3)c2)Cc2ccccc2C1 2325788448 HCHPEMXIOHNJPE-UHFFFAOYSA-N 319.408 2.696 0 50 DFAA C[C@H](CN=c1cc[nH]c2cccnc12)N1CCc2ccccc21 2325858851 CYFVICGMTMTGRX-CQSZACIVSA-N 304.397 2.915 0 50 DFAA CCc1ccc(NC(=O)Nc2n[nH]c3c2COCC3)cc1F 887918658 DAENIYQUOSHSJX-UHFFFAOYSA-N 304.325 2.828 0 50 DFAA C[C@H](CC(=O)Nc1n[nH]c2c1COCC2)c1cccc(F)c1 899257051 SVTAUQVGYZQYHJ-SNVBAGLBSA-N 303.337 2.754 0 50 DFAA COC(=O)c1cc(NC(=O)c2ccccc2)cc(C(=O)OC)c1 102699 RZCCPDDFUWDOPO-UHFFFAOYSA-N 313.309 2.512 0 50 DFAA Cc1cccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)c1C 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319.401 2.908 0 50 DFAA C[C@@H]1CCc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21 95704817 OQNVHLKAUNZNED-GFCCVEGCSA-N 318.421 2.583 0 50 DFAA NC[C@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 299739554 PZKQUZVQLODZLF-CQSZACIVSA-N 302.418 2.819 0 50 DFAA CSCCC(=O)NCCN1CC[C@H](c2ccccc2C)C1 252509560 YQMFKGUZJAHZLY-HNNXBMFYSA-N 306.475 2.654 0 50 DFAA Cc1ccc([C@]2(C(=O)NC3(C(N)=O)CCCC3)CC2(C)C)cc1 299798678 SSWBRJDGWFFYDA-IBGZPJMESA-N 314.429 2.577 0 50 DFAA CCc1noc(CN(C(=O)c2onc3c2CCCC3)C(C)C)n1 575433893 UFSBNUJIRQXYSJ-UHFFFAOYSA-N 318.377 2.550 0 50 DFAA CSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1cccc(C)c1 824954717 DBKYBRNDPHMITQ-JTQLQIEISA-N 301.371 2.687 0 50 DFAA CC[C@H](NC(=O)NCCN=c1cc[nH]cc1C)c1ccccc1 823441434 XJKXKVAZRUWAAU-INIZCTEOSA-N 312.417 2.674 0 50 DFAA CC(C)[C@@H](NC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N)c1ccccc1 822157624 OYODWQOVWYJNFQ-LTIDMASMSA-N 301.434 2.762 0 50 DFAA O=C(NCC1CCNCC1)c1cncc(-c2ccccc2F)c1 1875287519 MTHXXVKQSCQSHY-UHFFFAOYSA-N 313.376 2.617 0 50 DFAA 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DFAA Cc1nonc1COc1cccc(N=S2(=O)CCCC2)c1 585123047 RUPHFBKTBQBFNE-UHFFFAOYSA-N 307.375 2.850 0 50 DFAA OC[C@@H](O)C1CCN(Cc2cc(F)c(Cl)cc2Cl)CC1 1772815972 FKFXVWGDTQSBMD-CQSZACIVSA-N 322.207 2.698 0 50 DFAA COC1(CNC(=O)c2nnc(C(C)(C)C)o2)CCCCCC1 903044412 FGEWTZQSQOFQNP-UHFFFAOYSA-N 309.410 2.836 0 50 DFAA O=C(NC[C@]12CCC[C@H]1OCC2)c1c[nH]nc1-c1ccsc1 830770796 XMYFWOJVZHXXRB-CZUORRHYSA-N 317.414 2.827 0 50 DFAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(C2CC2)nn1C 931841863 HYXNHEPKSNAFGG-HNNXBMFYSA-N 311.385 2.778 0 50 DFAA COC(=O)c1ccc(OCC(=O)c2cccc(OC)c2)cc1 474528 JAIZEZAFQYOPNF-UHFFFAOYSA-N 300.310 2.744 0 50 DFAA CCO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 858570 IZILJJGONAYQBT-UONOGXRCSA-N 317.838 2.966 0 50 DFAA Cc1ccc(C)c(NC(=O)N2CCC[C@@]23CCCNC3=O)c1 2356159957 XHVBKSARKRGTCP-QGZVFWFLSA-N 301.390 2.580 0 50 DFAA c1cc2c(c(-c3cnc4c(N5CCCC5)nccn34)c1)OCC2 2356161862 MYAGGPSAUZKRGD-UHFFFAOYSA-N 306.369 2.931 0 50 DFAA CCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C 8714635 GYGWRDJGZDMGQW-UHFFFAOYSA-N 308.403 2.834 0 50 DFAA CCc1noc([C@H](C)Nc2cc(F)cc(N3CCOCC3)c2)n1 114751049 HSWMUGNNAYSRIO-NSHDSACASA-N 320.368 2.781 0 50 DFAA CCCNc1ccc(C)cc1C(=O)NCCCn1ccnc1 55324854 KINUPCQZNCXINA-UHFFFAOYSA-N 300.406 2.834 0 50 DFAA Cc1ccn2c(C(=O)N(C)Cc3c(C)noc3C)c(C)nc2c1 67756761 HCYNNKGMSJDLAV-UHFFFAOYSA-N 312.373 2.828 0 50 DFAA Cc1nc(-c2ccc(C(=O)N[C@H]3CC[C@H](CN)C3)cc2)cs1 423747643 QNMONXKSCXRVCX-WFASDCNBSA-N 315.442 2.976 0 50 DFAA CC(=O)Nc1cccc(-c2nc(C)nn2-c2ncccc2C)c1 65493331 BSTDMMQXXYEOLV-UHFFFAOYSA-N 307.357 2.905 0 50 DFAA c1cncc(-c2n[nH]cc2CN2CCC[C@H](c3ccn[nH]3)C2)c1 121267843 DQUJSPUXMOBGFX-AWEZNQCLSA-N 308.389 2.574 0 50 DFAA O=C(Cn1cnc(-c2ccccc2)n1)Nc1ccc2c(c1)COC2 121439495 UBIACKSMRSAUOM-UHFFFAOYSA-N 320.352 2.614 0 50 DFAA CC(C)c1cnc(CN[C@H]2CCO[C@@H]2c2nccn2C)s1 328648945 UUUFKJZBXLVUIU-FZMZJTMJSA-N 306.435 2.620 0 50 DFAA CCn1cc([C@H]2OCCC[C@@H]2NCc2nc(C)cs2)cn1 328628897 HSVGFSGZAUGOIR-DZGCQCFKSA-N 306.435 2.678 0 50 DFAA COc1cc(N2CCN(C(=O)c3ccsc3)CC2)ccc1F 253393298 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COc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1 32497093 LNCGCXCUEUEMCD-UHFFFAOYSA-N 308.337 2.799 0 50 DFAA CN1CCC(N(C)Cc2ccc(CCC(C)(C)O)cc2)CC1 72424797 KTIBQAJDRZLLMS-UHFFFAOYSA-N 304.478 2.916 0 50 DFAA COc1cccc(-c2ccc(=O)n(CC(=O)c3ccccc3)n2)c1 44892312 KLPPFQCYXGWMGM-UHFFFAOYSA-N 320.348 2.802 0 50 DFAA CCc1c(C)nn(CC(=O)N2CCC[C@@H]2c2nccs2)c1C 223634466 ROQPSRWZWFRWTD-CQSZACIVSA-N 318.446 2.883 0 50 DFAA O=C(O)c1ccc(CN2CCN(C3CCCCC3)CC2)cc1 263582549 YUNZINLXEFAEJN-UHFFFAOYSA-N 302.418 2.835 0 50 DFAA C[C@@H](NC(=O)N1CCSCC1)c1nc(-c2ccccc2)no1 426535300 YIPOZZFRSOLYEJ-LLVKDONJSA-N 318.402 2.556 0 50 DFAA CC[C@H](C(=O)NC1CCCCC1)n1ccc2ncccc2c1=O 95367197 OZXMFJHOUNIOST-MRXNPFEDSA-N 313.401 2.797 0 50 DFAA Cc1ncncc1C(=O)N[C@H](c1ccccc1)c1ccncc1 97679897 PCMAFUMNXIWCPV-QGZVFWFLSA-N 304.353 2.699 0 50 DFAA CN(Cc1ccsc1)Cc1nnc([C@H]2C[C@H](N)C2)n1C1CC1 244852872 VARTWRKOOLIACN-JOCQHMNTSA-N 317.462 2.511 0 50 DFAA CC(C)C1=NO[C@H](C(=O)NCCCc2nc3ccccc3o2)C1 299775477 KAZCPCNXBBWVQR-HNNXBMFYSA-N 315.373 2.678 0 50 DFAA C[C@H](Cn1cccn1)C(=O)N1CCc2c(Cl)cccc2C1 827627958 BFSGXBLERLBGJB-GFCCVEGCSA-N 303.793 2.758 0 50 DFAA Cc1cc(=NCC(C)(C)CN2CCCC2)[nH]c(N(C)C(C)C)n1 1875330318 NQKTTYWSWDKWDD-UHFFFAOYSA-N 319.497 2.585 0 50 DFAA C/C=C/c1cn(CC2CCN(C(=O)C3CC(C)(C)C3)CC2)nn1 1875323587 MOFBFXZRHKJLJX-SNAWJCMRSA-N 316.449 2.986 0 50 DFAA CCOc1ccccc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1 888078211 YYYAPLKFBIGVAH-PBHICJAKSA-N 301.390 2.676 0 50 DFAA c1cc(CN(Cc2csnn2)[C@@H]2CC23CCNCC3)cs1 275566833 GCYLHOONKZHKOZ-CQSZACIVSA-N 320.487 2.744 0 50 DFAA Cc1oc(-c2ccccc2)nc1CN1CC[S@@](=O)CC1(C)C 170599838 NQIFQMFATIOYSV-JOCHJYFZSA-N 318.442 2.993 0 50 DFAA O[C@@H](CN=c1nc(C2CCCCC2)[nH]s1)c1ccncc1 585087359 BLKDVDAVUGQMPL-ZDUSSCGKSA-N 304.419 2.548 0 50 DFAA CC[C@H](C)C(=O)Nc1cc(CCNC(=O)[C@H](C)CC)ccn1 585131431 VVGDYTMUNUTNKE-OLZOCXBDSA-N 305.422 2.771 0 50 DFAA COC1(OC)CC2(CN(C(=O)[C@@H](C)CSC)[C@@H]2C(C)C)C1 585130316 MUDWLIBOZUFDNT-QWHCGFSZSA-N 315.479 2.622 0 50 DFAA COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc3nn[nH]c3c1)CC2 408514679 AJMYKSIGPCZDMH-ZDUSSCGKSA-N 308.341 2.635 0 50 DFAA CC(C)C[C@]1(CO)CCCN1C(=O)NCCc1ccc(F)cc1 189709157 GZTONUCKSADQAR-SFHVURJKSA-N 322.424 2.951 0 50 DFAA O=C(Nc1nncs1)c1ccc(-c2noc(C(F)F)n2)cc1 225502363 GNOABMILHRJLKR-UHFFFAOYSA-N 323.284 2.778 0 50 DFAA O=C(CCn1ccc2ccccc21)Nc1nc(CCO)cs1 646352503 ZFMQQRFNNFIIPB-UHFFFAOYSA-N 315.398 2.661 0 50 DFAA CC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 193227364 VHTBJLDIEFLQIQ-GFCCVEGCSA-N 304.390 2.615 0 50 DFAA O=C(c1ccco1)N1CCN(Cc2cc(Cl)cs2)CC1 194300309 MKRZOIYDUUFCOK-UHFFFAOYSA-N 310.806 2.953 0 50 DFAA C[C@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@H]1O 768527668 VBJICYCTIRCOCJ-BLLLJJGKSA-N 306.369 2.509 0 50 DFAA Nc1nc(CCCNCc2ccc(-n3ccnc3)cc2)cs1 1506418560 ZVEMFNLJTCMXBZ-UHFFFAOYSA-N 313.430 2.633 0 50 DFAA COc1nccnc1N[C@@H]1CCCN(Cc2cccs2)C1 1529168610 HNYJJLCEOVRKIX-GFCCVEGCSA-N 304.419 2.623 0 50 DFAA COC[C@H]1CC[C@H]1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 1614998591 MHEHWSQACLPCLF-CHWSQXEVSA-N 305.422 2.670 0 50 DFAA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1cc(Cl)cs1 1615538188 WMAPCFVCVGYKRA-NSHDSACASA-N 314.838 2.778 0 50 DFAA CCCO[C@H]1CCCN(C(=O)c2cnn3cccc(C)c23)C1 1772712098 HOSGVFFTSQUCEY-AWEZNQCLSA-N 301.390 2.674 0 50 DFAA O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1ccc(Cl)cc1Cl 5713598 WJFVNQZBAXPTIT-QMMMGPOBSA-N 323.197 2.724 0 50 DFAA Cc1sc(NC(=O)CSCC(=O)O)nc1-c1ccccc1 5956396 XMIMIYMRZVAMIR-UHFFFAOYSA-N 322.411 2.875 0 50 DFAA COCCN1CCC(CN(Cc2ccncc2)CC(C)C)CC1 12307636 HMSZZBGPWLDEFI-UHFFFAOYSA-N 319.493 2.898 0 50 DFAA C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C)CC1 12380403 HCHSFVKJTXFHGD-JTQLQIEISA-N 317.216 2.535 0 50 DFAA CC(C)n1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O 12383159 NDHNYPCKCLUOMG-UHFFFAOYSA-N 305.341 2.687 0 50 DFAA O=C(C1CCOCC1)N1CCO[C@H](CCCc2ccccc2)C1 12453712 HKJBPSOVIMRRCY-GOSISDBHSA-N 317.429 2.663 0 50 DFAA COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1 16580079 NRBQGDSSZHHXJL-GFCCVEGCSA-N 313.353 2.957 0 50 DFAA CN1CCN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CCO 19774312 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COc1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 47646 CKWMNSDOVPQAEL-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 155291 CIVFAFJCAZEMRB-UHFFFAOYSA-N 310.419 2.598 0 50 DFAA Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1C 2330730 RBJKWRAIZFIJJZ-UHFFFAOYSA-N 300.333 2.697 0 50 DFAA CC(=O)CCc1c(C)c(OC(C)=O)c(C)c(C)c1OC(C)=O 2583626 ZLPIWEHMRPAXFS-UHFFFAOYSA-N 306.358 2.984 0 50 DFAA COc1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1 2755529 VJSLUQDJVYXQFG-UHFFFAOYSA-N 319.426 2.996 0 50 DFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 3893086 OQNYXZNFHLDXIO-SNVBAGLBSA-N 323.336 2.658 0 50 DFAA O=C1N(C2CC2)CCC[C@@]12CCCN2CCOc1ccccc1 2356165797 OUKUAKALALLKPD-IBGZPJMESA-N 314.429 2.685 0 50 DFAA CS[C@H](CO)[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 246858137 UFKRLRSXZWAUIV-NZPIUUIZSA-N 313.850 2.672 0 50 DFAA COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C 4302610 WVGXKKJGNICICL-UHFFFAOYSA-N 317.410 2.751 0 50 DFAA Cc1ccccc1-c1noc(CCC(=O)NCc2cccnc2)n1 4413216 XRQGSKVPATUDSB-UHFFFAOYSA-N 322.368 2.689 0 50 DFAA COc1cccc(-c2nnc3sc(-c4cccnc4)nn23)c1 10311731 CNSVOZZMQBJLOV-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(C)ccn3)CC2=O)c1 9096488 GPHZWCJWXKSTEU-OAHLLOKOSA-N 323.396 2.998 0 50 DFAA COc1cccc(C2=C[C@H](c3cccs3)n3nnnc3N2)c1 100636431 YPAQTZDMUAXTTF-CYBMUJFWSA-N 311.370 2.799 0 50 DFAA C[C@H](NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H](C)n1cccn1 248231925 LAKHBYZGBHYYKB-QAETUUGQSA-N 318.465 2.603 0 50 DFAA Nc1c(Cl)ccc(C(=O)NCc2nccs2)c1Cl 346234064 ITMJHJNIOORZAN-UHFFFAOYSA-N 302.186 2.962 0 50 DFAA Oc1ccc(-c2nccn2CCCN2CCOCC2)cc1Cl 65466185 OAJLIPTVIZZFQM-UHFFFAOYSA-N 321.808 2.631 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccn1)c1c[nH]c2ncccc12 348003180 CSRKULSDKWDILU-UHFFFAOYSA-N 304.313 2.600 0 50 DFAA Cc1cccnc1CN1CCN(C[C@@H]2CCOC(C)(C)C2)CC1 65529572 LBVJUJJKEASFBL-QGZVFWFLSA-N 317.477 2.713 0 50 DFAA OCC[C@@H]1CN(C2CCCCC2)CCN1Cc1cccs1 20451253 IHFGIWQAIFBEQC-MRXNPFEDSA-N 308.491 2.949 0 50 DFAA COC(=O)Cc1cc(Br)cc(Br)c1 22016491 UAHBKRHFZXQOJY-UHFFFAOYSA-N 307.969 2.927 0 50 DFAA N[C@@H]1CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1 416800814 UPKFNVALDIWPMD-LLVKDONJSA-N 302.205 2.626 0 50 DFAA COc1cc(C)ccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 20167257 SZLCESFNAYSBOH-HZPDHXFCSA-N 323.433 2.508 0 50 DFAA COc1ccc([C@H](C)CN2CCO[C@H]([C@H]3CCCO3)C2)cc1 252487437 XQYNYKXMXBKODF-OLMNPRSZSA-N 305.418 2.679 0 50 DFAA C[C@@H](c1cccnc1)N(C)C(=O)c1cnc(-c2ccncc2)nc1 67841716 FARXRFUQARJJND-ZDUSSCGKSA-N 319.368 2.767 0 50 DFAA COCCn1cc(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cn1 229961680 LGPPJDBEISTSGG-DOTOQJQBSA-N 314.433 2.777 0 50 DFAA CC(=O)N(C[C@H]1CCCN1C[C@H](O)c1ccc(C)cc1)C1CC1 328623629 CABNXGGOCJTOCW-MOPGFXCFSA-N 316.445 2.504 0 50 DFAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc2cc[nH]c2c1 123362323 CBQNONCNEPYESJ-YOEHRIQHSA-N 316.426 2.952 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCCc3c[nH]nc32)nn1[C@H](C)C1CC1 329392550 VVDPQUCDSPBNMI-RISCZKNCSA-N 313.405 2.693 0 50 DFAA CCN(CCO)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 155763378 BDJHRDOXZCRYLF-NSHDSACASA-N 309.797 2.689 0 50 DFAA C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(O)c(Cl)c1 217144271 JMXMDNPKFGCLSJ-LLVKDONJSA-N 304.777 2.731 0 50 DFAA CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2ccco2)C1 605947062 QBPCSSCXUSINDI-CQSZACIVSA-N 316.405 2.628 0 50 DFAA Cc1cccc2ncnc(N3C[C@@H](C)O[C@]4(CCCOC4)C3)c12 242284601 YIBGDQDSAMBZGH-RDTXWAMCSA-N 313.401 2.713 0 50 DFAA c1cc2c(cc1CCc1nn3c(C4CC4)nnc3s1)OCO2 71762361 COVODWUXVNQNBE-UHFFFAOYSA-N 314.370 2.577 0 50 DFAA CC[C@@H](C)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O 71757071 LECWZIXMONOCOQ-GFCCVEGCSA-N 317.433 2.877 0 50 DFAA NC(=O)C[C@H]1CCN(Cc2cc(Cl)ccc2OC(F)F)C1 377604384 RFEWUJSXLAZVRQ-SECBINFHSA-N 318.751 2.639 0 50 DFAA C[C@@H](CS(=O)(=O)NC(=O)C[C@@H]1C=CCC1)c1ccccc1 129925064 KYWZQZRHXDJOGC-UONOGXRCSA-N 307.415 2.592 0 50 DFAA O=C1C[C@@H](C(=O)N2CCC[C@@H](c3ccncn3)C2)c2ccccc21 14993317 NKGRYLQLDGFBHT-CZUORRHYSA-N 321.380 2.553 0 50 DFAA C1C[C@@H]2[C@@H]3C[C@H](C[C@@H]3NC3CCN(C[C@H]4CCOC4)CC3)[C@H]2C1 239619511 BFEYRZVFISWBCT-XVMGYKCHSA-N 318.505 2.902 0 50 DFAA CCc1nc(CNC(=O)N2CCC[C@H]2c2ccc(C)s2)n[nH]1 458882558 AVFIKBCQHRKKBU-NSHDSACASA-N 319.434 2.784 0 50 DFAA Cc1cccc(=O)n1CCC(=O)NCCc1cccc(Cl)c1 97259145 PZZMYGIENQGYGW-UHFFFAOYSA-N 318.804 2.559 0 50 DFAA CC(C)c1cc(C(=O)NC[C@H]2CCc3ccccc3O2)on1 91325622 HFDRVHIQNVYZLX-CYBMUJFWSA-N 300.358 2.922 0 50 DFAA COC(=O)CC[C@@H]1CCCCN1c1nc2c(s1)c(C)nn2C 95508716 LPJHCDMTIYMEBE-NSHDSACASA-N 322.434 2.650 0 50 DFAA O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccsn1 296004637 KXFDUXIFVSHVHB-HNNXBMFYSA-N 314.410 2.967 0 50 DFAA CCc1nc(CN(C)C[C@@H]2CCN(c3ccccc3)C2)no1 244602104 DXNCHJFJXPMVBX-AWEZNQCLSA-N 300.406 2.590 0 50 DFAA Cc1cc(CN[C@](C)(C(N)=O)C(C)C)ccc1Br 297555526 GVAFCTQRXZBHTF-AWEZNQCLSA-N 313.239 2.747 0 50 DFAA O=C(NCC[C@H]1CCCOC1)N1CCC(c2ccncc2)CC1 528100697 QBEKKXUGAFSAQS-OAHLLOKOSA-N 317.433 2.787 0 50 DFAA O=C(O)[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1C(F)(F)F 299743559 LIPFNQPHPRUYKS-NXEZZACHSA-N 309.234 2.660 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(C)CC[C@H](O)[C@H]12 257345766 IGDPHSMKMOOQGM-RVXHGOMPSA-N 308.462 2.722 0 50 DFAA CCOC(=O)Cc1ccc(Br)c(Br)n1 263625285 YJRDYJCPSKGHEO-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA COc1cccc([C@H]2CCCN2C(=O)CCc2cnccn2)c1 280026349 UHVCONWWQPLZEG-QGZVFWFLSA-N 311.385 2.782 0 50 DFAA Cc1cc(C)n(CCC(=O)N2CC[C@@H](Oc3ccccc3)C2)n1 581786135 ODCJWNULLNJOOZ-QGZVFWFLSA-N 313.401 2.570 0 50 DFAA C=CC(=O)N(Cc1cc(C)c(C)cc1C)C[C@@H](C)S(C)(=O)=O 1875382276 WZUSMLPFOHNTBV-OAHLLOKOSA-N 323.458 2.560 0 50 DFAA C[C@@H](C1CCOCC1)N(C=O)Cc1cnn(-c2ccccc2)c1 1875325412 NDGTZDASOINKFH-HNNXBMFYSA-N 313.401 2.646 0 50 DFAA CC[C@H](C)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c(O)n1 1875309043 NTVGNXVWSGSXPN-RCBQFDQVSA-N 317.433 2.609 0 50 DFAA CN(C)c1ncc(C(=O)N2CCCC[C@H]2c2cccc(O)c2)o1 1875302644 ACPBVILVUWOJPR-AWEZNQCLSA-N 315.373 2.814 0 50 DFAA CCN(C(=O)c1cnc(-c2ccccn2)nc1)[C@@H](C)C(F)(F)F 935759177 HGXJDHXZLFWQQI-JTQLQIEISA-N 324.306 2.952 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C(F)(F)F)N1Cc1ccc(F)cc1F 1875283304 NHCCMFXMVONVAX-MNOVXSKESA-N 309.234 2.945 0 50 DFAA NCc1ccc2nc(C(=O)N3[C@H]4CC[C@H]3c3ccccc34)cn2c1 1875277255 MZIFAEGYMVZUSJ-IRXDYDNUSA-N 318.380 2.825 0 50 DFAA CCC[C@@H](CNCc1cnn(-c2ccccc2F)c1)N(C)C 952977768 CXWPBBVYANYBQP-HNNXBMFYSA-N 304.413 2.831 0 50 DFAA O=C(N[C@H]1CCC[C@H](OC(F)F)C1)c1cnnc2ccccc12 888092978 UDEZCPNFSXUOBC-QWRGUYRKSA-N 321.327 2.910 0 50 DFAA O=C(c1ccc(Cl)nc1OC1CCC1)N1CCC[C@H](CO)C1 170595914 QSTFTWHSXATZIC-NSHDSACASA-N 324.808 2.511 0 50 DFAA COc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](OC)C2)cc1F 187235324 KSHBIXOLPMCRPK-MKBNYLNASA-N 324.396 2.962 0 50 DFAA Cc1[nH]ncc1C(=O)N1CCC(CN2CCc3ccccc32)CC1 171884990 XEFSPQWRCJZFGK-UHFFFAOYSA-N 324.428 2.633 0 50 DFAA Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)sc2cccc(F)c12 188940123 OETJXZUFKMSXAO-SNVBAGLBSA-N 320.389 2.699 0 50 DFAA O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cccc(Cl)c1F 191969790 IPDPKXULXIXATK-NSHDSACASA-N 323.751 2.518 0 50 DFAA O=C(CCC(F)(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 677976209 PGLKXGAWDBHZIK-JTQLQIEISA-N 316.327 2.731 0 50 DFAA FC1=CCCN(Cc2sc(N3CCOCC3)nc2Cl)C1 585116755 HLPIEGBDXDSDMZ-UHFFFAOYSA-N 317.817 2.692 0 50 DFAA CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H](C)c2ccccn2)C1(C)C 110608713 CVXMJKIOUTYHCH-BPLDGKMQSA-N 305.422 2.988 0 50 DFAA COc1cccc(-c2cnc(CN3CCC[C@H]3CC(=O)O)o2)c1 1615053310 LVWHUUBLOVKMJI-ZDUSSCGKSA-N 316.357 2.789 0 50 DFAA CCN(CCC(F)(F)F)C(=O)[C@H]1NCCOc2ccccc21 1615616207 XRQYASMTHBXCEL-ZDUSSCGKSA-N 316.323 2.511 0 50 DFAA C=CC(=O)N1CCC(c2cc(-c3ccc(OC)cc3)[nH]n2)CC1 1772718346 CDWNVILJSPSHBO-UHFFFAOYSA-N 311.385 2.977 0 50 DFAA CCCN1CC(=O)N(Cc2ccccc2)C[C@@H](OCC2CC2)C1 14538670 ROMNDUBNABCSIV-SFHVURJKSA-N 316.445 2.536 0 50 DFAA COc1ccc(CNC(=O)c2nc(C)cs2)c(C)c1OC 1646494057 ISRMMQGHDQXZDL-UHFFFAOYSA-N 306.387 2.707 0 50 DFAA N[C@H]1C[C@@H](c2nc(COc3ccc(Cl)cc3)no2)[C@@H]2C[C@H]12 1857530180 ZSBLBWFTXNGAGF-XQHKEYJVSA-N 305.765 2.753 0 50 DFAA COc1ccc(-n2ccnc2-c2nccn2[C@@H]2CCOC2)cc1 1857718756 RMWCQXHHHFVUBJ-CQSZACIVSA-N 310.357 2.706 0 50 DFAA CN1CC[C@@H](CNC(=O)c2cccs2)[C@@H]1c1cccnc1 328628907 ODYRSIFFEYIYCW-ZFWWWQNUSA-N 301.415 2.566 0 50 DFAA O=C(Cc1cccc(F)c1F)N1CCC[C@@H](c2ccncn2)C1 15003921 XLELEEJCNWRNSS-CYBMUJFWSA-N 317.339 2.704 0 50 DFAA Cc1[nH]ccc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 351293906 YRMBEUNQSHCLQJ-STQMWFEESA-N 321.421 2.727 0 50 DFAA C[C@@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 25726938 QJYMOTAFFJDTAG-DGCLKSJQSA-N 309.362 2.570 0 50 DFAA in-vitro O=C(Nc1nncn1C1CC1)c1cc(Br)cs1 285919333 SUNACHHXBOIFKP-UHFFFAOYSA-N 313.180 2.689 0 50 DFAA CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(Cl)s2)cn1 193005393 RBSQLAQKAXSAPF-UHFFFAOYSA-N 313.766 2.670 0 50 DFAA CC(C)(C)c1cnc(CNc2cnn(-c3nccs3)c2)[nH]1 2325773967 JMWICCAHCDHIMG-UHFFFAOYSA-N 302.407 2.962 0 50 DFAA C[C@@H]1CCCn2c(C(=O)N(CCCN)CC3CCCC3)cnc21 2325798831 CIGBQBMQSHDTEF-CQSZACIVSA-N 318.465 2.762 0 50 DFAA CC(C)(C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 384532 FSBFQFMQMMIEOQ-UHFFFAOYSA-N 304.415 2.858 0 50 DFAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(F)c2)N1 408718 AZRREACPAUAYLH-JKSUJKDBSA-N 310.328 2.995 0 50 DFAA biogenic CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(F)cc1 2826697 UPOWJUIGULZYIX-UHFFFAOYSA-N 300.289 2.606 0 50 DFAA CC(C)CCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 2988305 PLYVCMFZJMSIJA-ZDUSSCGKSA-N 316.401 2.614 0 50 DFAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 3889351 UGNXLOBQSOPLBJ-KGLIPLIRSA-N 309.793 2.890 0 50 DFAA Cc1nc(=NC[C@H]2CCN(c3ccccc3F)C2)[nH]c(C)c1C 2356161510 YAZUJGSHUXOFPF-OAHLLOKOSA-N 314.408 2.901 0 50 DFAA COc1ccc(CN2CCC[C@@H](OC)C2)cc1-c1cnn(C)c1 2356165154 WBZCGLDARFOYOP-MRXNPFEDSA-N 315.417 2.707 0 50 DFAA O=C(NC1CCCCC1)C1CCN(C(=O)c2ccco2)CC1 4976213 GYPCAEZTTLMQIZ-UHFFFAOYSA-N 304.390 2.581 0 50 DFAA O=C(NCc1ccc(F)cc1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 6726137 WDLISHSLKREADS-CXTZMWEQSA-N 305.349 2.579 0 50 DFAA Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H](O)C(C)C)cc2)co1 55327522 ZXQQCEQELHXVBD-HNNXBMFYSA-N 316.357 2.796 0 50 DFAA Cc1cccnc1CNC(=O)N[C@@H]1CCCN(c2ccccc2)C1 115822624 FIJABIAZOLIYBJ-MRXNPFEDSA-N 324.428 2.858 0 50 DFAA Cc1ccc(OCc2cc(C(=O)N3C[C@H]4CC[C@H]3C4)no2)cn1 102045466 WJWMHRGDJXGKHK-STQMWFEESA-N 313.357 2.582 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 77386506 UFMKHUAQZYMOBD-CQSZACIVSA-N 323.364 2.539 0 50 DFAA O=C(CSc1ccc2ccccc2n1)NC1=NCCS1 22590612 VPDYPDFHASLKNW-UHFFFAOYSA-N 303.412 2.546 0 50 DFAA CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)C1[C@@H]2CCC[C@@H]12 230142961 PHRKUSSRBGMNDQ-BFHYXJOUSA-N 322.449 2.938 0 50 DFAA O=C(c1ccncc1Cl)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282611130 RMPKLGGDLUGCAS-DOMZBBRYSA-N 320.751 2.822 0 50 DFAA COCC1(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)CCC1 65404637 UXPSAFMRMPHGFG-UHFFFAOYSA-N 315.373 2.512 0 50 DFAA COc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)ccc1F 4809303 XWBATMKEXOOMBW-UHFFFAOYSA-N 321.333 2.511 0 50 DFAA C[C@H]1CC(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C[C@H](C)O1 328655194 YDADSUZCBLRYRK-DNUAJFIVSA-N 303.450 2.620 0 50 DFAA O=C(N[C@@H](c1ccccc1)C1CC1)N1CC(F)(F)C[C@@H]1CO 364661400 PEIVLURGBIOQFC-KGLIPLIRSA-N 310.344 2.549 0 50 DFAA CO[C@H]1CCC[C@H](CC(=O)NCc2nnc(C(C)C)s2)C1 331064895 PLOCLFRIJTZGDX-RYUDHWBXSA-N 311.451 2.873 0 50 DFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 156311311 FXXJPQUJJAPQQN-CJNGLKHVSA-N 302.418 2.675 0 50 DFAA CC(C)c1ccc(C(=O)N2C[C@@H](C)NC(=O)c3ccccc32)cn1 371687730 ZWELCQHKMVHKGZ-CYBMUJFWSA-N 323.396 2.984 0 50 DFAA Cc1cc(C)cc(C2(c3noc([C@@H]4COCCO4)n3)CC2)c1 333264691 VBENRMMTVWEYPW-AWEZNQCLSA-N 300.358 2.854 0 50 DFAA CC(C)n1c(S)nnc1[C@@H]1CCCN(C(=O)[C@H]2CC2(C)C)C1 128612805 ZDMVJOZHEPFQGP-VXGBXAGGSA-N 322.478 2.900 0 50 DFAA COc1ccc(Cc2noc([C@H]3OCC[C@@H]3C)n2)cc1OC 128746812 BGDWYHNIAYTJOI-BONVTDFDSA-N 304.346 2.775 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)c2cccc(-n3cccn3)c2)C1 77406833 JRLPUOOYDRLYDF-OAHLLOKOSA-N 324.428 2.571 0 50 DFAA O=C(N[C@H]1CC[C@H](O)CC1)c1ccccc1NCc1ccco1 240333488 FDNLTKBCEWVWRC-HDJSIYSDSA-N 314.385 2.925 0 50 DFAA Cc1nc(CNC(=O)[C@H]2COc3ccccc3C2)sc1C 75329406 JORJPPDZMFTVDW-CYBMUJFWSA-N 302.399 2.627 0 50 DFAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)NC(C)(C)C 242339260 ZGHDRWNLXGJYDY-SNPRPXQTSA-N 302.418 2.518 0 50 DFAA O=C(O)c1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1 263576550 QOPUVGSLSIUSCP-GOSISDBHSA-N 311.381 2.867 0 50 DFAA Cc1c(NCc2cn(C(C)C)nn2)cccc1N1CCOC1=O 289770637 PGUXECVSAOUTFH-UHFFFAOYSA-N 315.377 2.736 0 50 DFAA C[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)c1ncnn1C 613895544 OPPOMHSCGNEABK-SECBINFHSA-N 304.316 2.505 0 50 DFAA COc1cc(-c2ccccc2)sc1C(=O)N(C)[C@H]1CCNC1 179091527 MPZNRFGVQHYKMH-ZDUSSCGKSA-N 316.426 2.858 0 50 DFAA Cc1cc2ccccc2n1CCN(C)C(=O)N[C@@H](C)CN(C)C 426374456 YSQGREGKBXBLBP-AWEZNQCLSA-N 316.449 2.541 0 50 DFAA CCc1ccc(CNC(=O)[C@H](c2ccccc2C)N(C)C)nc1 95383487 YRXQDCOIWLLQAW-SFHVURJKSA-N 311.429 2.872 0 50 DFAA O=C(C[C@H]1CCc2ccccc21)N1CCC(n2cnnc2)CC1 92080677 VXNDMCUXQYSNKY-OAHLLOKOSA-N 310.401 2.562 0 50 DFAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cc(=O)[nH]cn2)C1 91873308 WPQZREAVQWVXIL-QGZVFWFLSA-N 303.406 2.645 0 50 DFAA O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCCCO1 97674447 WGPLOQUMSTXNMV-KRWDZBQOSA-N 302.418 2.515 0 50 DFAA CC(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)c2cccc(C)c2Cl)C1 91830744 HIHGELAQSYFNJW-CABCVRRESA-N 322.836 2.881 0 50 DFAA CCOCCN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O 91441772 XTEJGQCDETXKHR-GOSISDBHSA-N 319.401 2.623 0 50 DFAA Cc1ccnc(SCC(=O)N2CC[C@H]2c2ccc(F)cc2)n1 243893567 ASGOAPMJYDKOQX-AWEZNQCLSA-N 317.389 2.990 0 50 DFAA Cc1noc(C)c1CC(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244673769 HVEDLWUSSCDKSO-BFQNTYOBSA-N 320.414 2.524 0 50 DFAA Cc1scc(CCNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)c1C 244887903 YQGLTNALXLIEBL-BETUJISGSA-N 318.446 2.630 0 50 DFAA COCCc1nsc(NCc2ccccc2-c2ncc[nH]2)n1 952964377 QQVFGHYVBYSFLE-UHFFFAOYSA-N 315.402 2.729 0 50 DFAA NS(=O)(=O)c1ccc(N2CCC(c3ccsc3)CC2)cc1 1875275799 QVWDGWSCJVRDJR-UHFFFAOYSA-N 322.455 2.780 0 50 DFAA CC(C)(F)c1cc(NS(=O)(=O)c2cncc(Cl)c2)no1 1875280133 WGJHBMIZPMAFIO-UHFFFAOYSA-N 319.745 2.728 0 50 DFAA CC(=O)Nc1ccc(C)c(C(=O)N=c2[nH][nH]cc2CC(C)C)c1 1875312358 LTKKXLYFZXYYFF-UHFFFAOYSA-N 314.389 2.549 0 50 DFAA CCC1(NC(=O)c2cc(Br)cc(C(=O)O)c2)CC1 630302300 ZRPPZKCSJIXTPK-UHFFFAOYSA-N 312.163 2.820 0 50 DFAA O=C(c1ncc2ccccc2c1O)N1CC[C@H](COC(F)F)C1 888092864 LTYBCHRICMCKCU-JTQLQIEISA-N 322.311 2.642 0 50 DFAA CCOCCCC(=O)NCCc1ncc(-c2ccccc2)[nH]1 1177506651 DXBJPRFDXRBVMF-UHFFFAOYSA-N 301.390 2.552 0 50 DFAA CCc1nc(CNC(=O)N[C@@H]2CCOC23CCCCC3)co1 895219865 DTZQFZOMSDCSDC-CYBMUJFWSA-N 307.394 2.528 0 50 DFAA O=C(NC[C@H](O)C1CCCCC1)c1ccccc1-c1ncc[nH]1 1775985424 WKOPJLDTOOKRIU-INIZCTEOSA-N 313.401 2.748 0 50 DFAA COc1cc(CNc2ccc(CN3CCOC3=O)cc2)sn1 585118662 XVLKDUOOTQSNJA-UHFFFAOYSA-N 319.386 2.716 0 50 DFAA Cn1cncc1[C@@H]1C[C@@H](NC(=O)C2=CCCCCC2)CCO1 276365446 SCKXYKXGGVWCHD-HOCLYGCPSA-N 303.406 2.647 0 50 DFAA Cc1ncsc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 170044352 KCJDUBBORZQWFZ-LLVKDONJSA-N 318.398 2.815 0 50 DFAA Cc1nc(Cl)ccc1NC(=O)N1CC[C@@H](CN2CCCC2)C1 194694617 GMOBQVBLUZFUMT-ZDUSSCGKSA-N 322.840 2.993 0 50 DFAA CCOC(=O)[C@@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 194757972 MPHLEGLXXGNPSD-ZDUSSCGKSA-N 306.749 2.702 0 50 DFAA Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H](C(=O)O)C(C)(C)C 663049200 MUJNOMVGKQKEFR-AWEZNQCLSA-N 315.373 2.866 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)/C=C/c2cc(CO)cs2)no1 1506414923 UVSOXMATAPFFOB-MBVDDHJVSA-N 318.398 2.914 0 50 DFAA Cc1nc(CN2CCC([C@H](C)N3CCCC3)CC2)n(C)c1C 1506396455 HAFXHODASYUGPT-INIZCTEOSA-N 304.482 2.733 0 50 DFAA Cc1ccn2c(NC(=O)c3scc4c3CCCC4)nnc2n1 1529177712 DGBNDOYQPHFEON-UHFFFAOYSA-N 313.386 2.625 0 50 DFAA OCc1ccc(I)cc1Br 238726506 YMEXRVNZYXNDDN-UHFFFAOYSA-N 312.932 2.546 0 50 DFAA in-vitro O=C(CCCCc1cccnc1)N1CC[C@H](O)C[C@@H]1C1CC1 1772706394 NVEMJBDIPKKJHL-DLBZAZTESA-N 302.418 2.556 0 50 DFAA COc1cccc(CCCNS(=O)(=O)Cc2ccccc2)c1 13647073 WAAJKCFQFKXRCU-UHFFFAOYSA-N 319.426 2.747 0 50 DFAA O=C(Cn1c(CO)nc2ccccc21)N1CCCc2ccccc21 15922149 MBZMRUMJBBLVPK-UHFFFAOYSA-N 321.380 2.508 0 50 DFAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCO1 16579822 QQAWWPVTZSRJTF-JTQLQIEISA-N 324.229 2.592 0 50 DFAA COc1cccc(CC(=O)NCc2ccc(CN(C)C)cc2)c1 19743525 XWERIAZSQTZFQC-UHFFFAOYSA-N 312.413 2.616 0 50 DFAA CC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 226091358 OUCBSMSNQWPDLJ-RTXFEEFZSA-N 301.342 2.538 0 50 DFAA Fc1cccc(OCc2noc([C@@]34CCCC[C@H]3CNC4)n2)c1 666572945 ZFOPZGQHSFFWGM-YVEFUNNKSA-N 317.364 2.819 0 50 DFAA O=C(O)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cn1 681126358 ZJFZYAGKDRJLHD-UHFFFAOYSA-N 318.760 2.852 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CC[C@@H](n2cc(C3CC3)nn2)C1 585127570 DKLNQXBQBVOHJF-QCEMKRCNSA-N 314.433 2.755 0 50 DFAA O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CC(c2ccccn2)=NO1 905070280 KPOVDYXHESILLJ-YJBOKZPZSA-N 321.380 2.768 0 50 DFAA Cc1ncsc1CCC(=O)N1C[C@@H](C(=O)O)c2ccccc21 909578131 NJUNYSXZIAOMQE-GFCCVEGCSA-N 316.382 2.599 0 50 DFAA COc1cnc(NC(=O)N[C@H](c2ccncc2)C2CC2)s1 931286261 WAWYBKWOXMPMKH-LBPRGKRZSA-N 304.375 2.820 0 50 DFAA COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 100072394 OHDHLNWMAPCUNW-IYVPYFHTSA-N 309.365 2.953 0 50 DFAA C=CC(=O)Nc1cccc(CC(=O)N(C)c2csnc2C)c1 2325894308 NSZHJCGTTVAAJR-UHFFFAOYSA-N 315.398 2.782 0 50 DFAA Cc1cc2cc(CNC3CCN(CC(=O)O)CC3)oc2cc1C 874050026 NVRBFLOXEMNBDD-UHFFFAOYSA-N 316.401 2.688 0 50 DFAA CC(C)O[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C1(C)C 879499587 ZNPWKHTZKZZITQ-GJZGRUSLSA-N 301.390 2.656 0 50 DFAA C[C@H](CC(N)=O)c1ccc(NCc2cnn(C)c2Cl)cc1 897838332 MJGMWXHWGGABML-SNVBAGLBSA-N 306.797 2.665 0 50 DFAA CCN(CC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1 309348 PAFPTCPQYCVUPC-INIZCTEOSA-N 318.461 2.581 0 50 DFAA CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 378739 ZIGPBAMAQTYVPJ-SNVBAGLBSA-N 312.441 2.920 0 50 DFAA CS[C@H](CO)[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 246858128 UFKRLRSXZWAUIV-GSVCSZOMSA-N 313.850 2.672 0 50 DFAA C[C@@H](NC(=O)Cc1ccon1)c1nc2ccccc2n1C(F)F 344332958 TUQRBXUGZORJDD-SECBINFHSA-N 320.299 2.839 0 50 DFAA O=C1NCCC[C@]12CCCN2CCCCOc1ccccc1 2356142689 CMRAYKBEZRTTBB-SFHVURJKSA-N 302.418 2.590 0 50 DFAA Cc1ccccc1C(=O)NCCCNC(=O)c1ccccc1C 2766089 ZCCPBQXTPWNDBK-UHFFFAOYSA-N 310.397 2.853 0 50 DFAA Cc1ccc(CNC(=O)C(=O)NCc2ccccc2Cl)cc1 2993329 GMMKNSALWYFLJI-UHFFFAOYSA-N 316.788 2.581 0 50 DFAA CC[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 4066749 HVJFIVRSQAMHFO-XJKSGUPXSA-N 316.401 2.592 0 50 DFAA O=C(Nc1cccc(Cl)c1)c1cnc2sccn2c1=O 6480403 RICAHXATDXMBBD-UHFFFAOYSA-N 305.746 2.662 0 50 DFAA CCOC(=O)[C@]12CC[C@H](O)C[C@@H]1CCN(Cc1ccccc1)C2 6697772 DKADCGQBXOFPPY-LNLFQRSKSA-N 317.429 2.603 0 50 DFAA CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O 6708234 UHLYHVSNDOTLSO-UHFFFAOYSA-N 323.352 2.586 0 50 DFAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc2c(s1)CCCC2 6742529 IWBLNQBOJPXBCV-ZJUUUORDSA-N 306.387 2.627 0 50 DFAA Cc1ccc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)s1 55036249 DWUVFGICFAZVGH-KRWDZBQOSA-N 324.490 2.546 0 50 DFAA CCc1noc([C@@H](C)Nc2cc(F)cc(N3CCOCC3)c2)n1 114751047 HSWMUGNNAYSRIO-LLVKDONJSA-N 320.368 2.781 0 50 DFAA CCC(C)(C)NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341624 PZGUYCRPNHLJLF-UHFFFAOYSA-N 320.408 2.983 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCc2nncn2C2CCCCC2)n1 67879235 KTDTUFQRRMVHEJ-AWEZNQCLSA-N 316.453 2.775 0 50 DFAA CC(C)CN1CC[C@H](CNC(=O)c2ccc(O)c(Cl)c2)C1 67908418 XBMHCDGMOWNCKS-GFCCVEGCSA-N 310.825 2.753 0 50 DFAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC1C[C@@H]2C[C@H]2C1 425156449 NBZCXKXSKVYJHB-QWRGUYRKSA-N 317.339 2.987 0 50 DFAA Cc1cc(C)n(-c2ccc(N[C@@H]3CCC[C@H]4OCC[C@@H]34)nn2)n1 230155281 OWPAGULRCVGYFN-RRFJBIMHSA-N 313.405 2.649 0 50 DFAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2nc(S)oc2c1 230227046 YBUZFJSGCMUFPY-LOWVWBTDSA-N 318.398 2.804 0 50 DFAA Cc1nc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)oc1C 121037407 XJXYYYUKIQRXGB-IUODEOHRSA-N 308.328 2.878 0 50 DFAA CC(C)(NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 252512243 OKAQGHHRBZWYTJ-VIKVFOODSA-N 301.386 2.855 0 50 DFAA CCN(Cc1cc(Cl)ccc1OC)C(=O)c1ccc(=O)[nH]c1 67820869 PZBSVSSQVVVGQR-UHFFFAOYSA-N 320.776 2.699 0 50 DFAA CN(C)Cc1cc(CN(C)C)c(O)c(CCc2ccccc2)n1 186196 UWPCLYFCWDLOBG-UHFFFAOYSA-N 313.445 2.696 0 50 DFAA biogenic COC(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 1391100 WSYZSMPSGNBVGB-UHFFFAOYSA-N 312.152 2.990 0 50 DFAA CCCC(=O)N[C@H]1CCCN(C(=O)N2CCc3ccccc32)C1 253394327 BANJVRCMQCZQMC-HNNXBMFYSA-N 315.417 2.550 0 50 DFAA C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)[C@@H]1CCCO1 6731615 RSCHSTJGWYSDLB-RNCFNFMXSA-N 301.745 2.542 0 50 DFAA Cn1ncc2c(O)nc(N3CC4(CCC4)[C@H]3c3ccccc3)nc21 330349445 JWWARCKAUHCBOG-CQSZACIVSA-N 321.384 2.801 0 50 DFAA Cc1cnc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)cn1 360951554 PYFCKSRLMOXXBW-UHFFFAOYSA-N 307.357 2.840 0 50 DFAA C[C@H](C1CCN(Cc2cccc(F)c2)CC1)N1CCN(C)CC1 77391403 AIQHOHTWWVWKSD-MRXNPFEDSA-N 319.468 2.674 0 50 DFAA CC(C)CCN1C[C@]2(CCCN(Cc3ncc[nH]3)C2)CCC1=O 77298960 POFCZYXDADTASW-GOSISDBHSA-N 318.465 2.660 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)[nH]1 331529107 GVEQHENDNGYWEZ-CABCVRRESA-N 302.349 2.719 0 50 DFAA CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 236679674 LDKFURWGOAQEBL-XJKSGUPXSA-N 320.408 2.620 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)CCCOc2ccccc2F)C1 237409022 XWORCGSODFJBBN-KBPBESRZSA-N 308.397 2.571 0 50 DFAA COC[C@@H](NC(=O)Cc1cc(F)c(F)c(F)c1)c1ccccn1 218934696 UWHHBNCGNKXCIR-CQSZACIVSA-N 324.302 2.545 0 50 DFAA Cc1coc(C)c1C(=O)N1CCCC[C@H]1CN1CCCC1=O 375042494 LSNVLCGTDWQSCV-AWEZNQCLSA-N 304.390 2.514 0 50 DFAA C1=CC[C@H]2CN(c3nc(-c4ccncc4)nc4c3CNC4)C[C@H]2C1 72167193 WBWKVFSZAWBVOE-GASCZTMLSA-N 319.412 2.544 0 50 DFAA CSc1ccccc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 77471340 GBUGQHGYKUBZEV-CYBMUJFWSA-N 320.458 2.737 0 50 DFAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H]1c1ccccn1 239539281 AWCIAWNHMSZOOE-UXLLHSPISA-N 318.417 2.719 0 50 DFAA Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1 178912167 JGAHVUBCQKBFAF-UHFFFAOYSA-N 309.318 2.633 0 50 DFAA COc1ccc(OCCN2CCC[C@H](c3ccn[nH]3)C2)cc1 193852394 JEYLIQJAAMPQEN-AWEZNQCLSA-N 301.390 2.677 0 50 DFAA CCOC(=O)c1c(N)ccn1-c1ccc(Br)cc1 95835911 PQYHQZDZGDHSEE-UHFFFAOYSA-N 309.163 2.999 0 50 DFAA Cc1noc2ncnc(N(C)Cc3n[nH]c4c3CCCCC4)c12 95366028 RGROHRRTIXDNOM-UHFFFAOYSA-N 312.377 2.555 0 50 DFAA O=C(CCc1ccco1)N1CCC[C@@](CC2CC2)(C(=O)O)C1 91665305 WDHFAFASNWPZPR-KRWDZBQOSA-N 305.374 2.706 0 50 DFAA CCCc1nc(CNC(=O)c2cn(CCC)nc2C)cs1 91847487 WTWSDHGKHRHZEU-UHFFFAOYSA-N 306.435 2.941 0 50 DFAA C[C@@H]1CN(C(=O)c2cnoc2-c2ccccc2)CC[C@]1(C)O 91416573 TVHQPINTKDIABJ-PXAZEXFGSA-N 300.358 2.575 0 50 DFAA Cc1cc(C)c2[nH]c(C(=O)N[C@H](C)Cn3cncn3)c(C)c2c1 91459225 CNHIMTFEGOVCJH-GFCCVEGCSA-N 311.389 2.503 0 50 DFAA CC(C)c1cc(CN(C)CCC(=O)Nc2nccs2)no1 244734948 NOMHIPPJDVMHPQ-UHFFFAOYSA-N 308.407 2.715 0 50 DFAA COCc1cc(CN2CC(N3CCCC[C@H]3C)C2)ccc1OC 244734905 NNTQWHAECYZVKR-OAHLLOKOSA-N 318.461 2.900 0 50 DFAA Cc1n[nH]c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)n1 244874941 XJXMMWMVKYLOFA-CYBMUJFWSA-N 318.808 2.861 0 50 DFAA C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CC1)C(=O)O 299744998 QOSMZQGBIJSLLC-UHOFOFEASA-N 301.386 2.782 0 50 DFAA C[C@H](CC(=O)N1CCCCCC1)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252584666 CBWDBXMNMLWSOI-MUIFIZLQSA-N 308.466 2.571 0 50 DFAA Cc1cccc(N2CCC(N3CCC(C(=O)O)CC3)CC2)c1 534636360 HMOAGUOUPMSTST-UHFFFAOYSA-N 302.418 2.760 0 50 DFAA CC[C@H]1C(=O)Nc2c(sc3nc(C)cc(C)c23)C(=O)N1C 534655169 CCSUZWJNWAAGDM-VIFPVBQESA-N 303.387 2.716 0 50 DFAA CCc1nc(C)c(C(=O)NCc2ccc3c(c2)CCCO3)o1 299763812 DMFBSYSCTMLSQD-UHFFFAOYSA-N 300.358 2.800 0 50 DFAA Nc1nc(CCCNC(=O)c2ccc3c(c2)CCC3)cs1 827597732 JCKQYNOOMKDGEO-UHFFFAOYSA-N 301.415 2.577 0 50 DFAA O=C(C[C@@H]1CCOC1)N1CCC(Oc2ccccc2F)CC1 584900327 LXZIBEITUMKKDO-ZDUSSCGKSA-N 307.365 2.622 0 50 DFAA C[C@@H](NS(=O)(=O)N(C)Cc1ccccc1)C1=CCCCC1 670441102 SBDGFFRSDITDBU-CQSZACIVSA-N 308.447 2.842 0 50 DFAA COC(CSc1cncc(Br)c1)(OC)OC 757215173 VDSMGBYGGBSFGW-UHFFFAOYSA-N 308.197 2.529 0 50 DFAA COC(=O)/C=C/CNC(=O)c1c(Cl)cccc1OCC1CC1 1875272900 DRNOIJIYAHJDJL-ZZXKWVIFSA-N 323.776 2.588 0 50 DFAA C=CC(=O)N1CCC(C(=O)N[C@@H](c2cccs2)C2CC2)CC1 1875370285 ITYUSEVZTZAIJB-MRXNPFEDSA-N 318.442 2.740 0 50 DFAA CNC(=O)c1ccc(NC(=O)c2cncc(Cl)c2)c(C)c1 952972824 UUGWAGCHMIGGLU-UHFFFAOYSA-N 303.749 2.655 0 50 DFAA O=C(O)C1(C(=O)N2CCc3ccc(Cl)cc3C2)CCCC1 1330817289 HHRFZONDLLTBNV-UHFFFAOYSA-N 307.777 2.870 0 50 DFAA COc1ccc(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)cc1 169974254 NREDEMBDZSNINP-MRXNPFEDSA-N 316.382 2.724 0 50 DFAA CC1(C)CN(c2ncc(Br)cc2Cl)C[C@H]1O 279567435 UPSNIMOAAKDDEA-SECBINFHSA-N 305.603 2.705 0 50 DFAA O=C(NC1CC1)c1noc([C@H]2CCCN2CC2=CCCCC2)n1 408519690 RBPDHZJVUHUYQG-CQSZACIVSA-N 316.405 2.599 0 50 DFAA O=C(c1c[nH]nc1-c1ccsc1)N1CCO[C@H]2CCCC[C@@H]21 188424598 QATCNONZPJSOGJ-KBPBESRZSA-N 317.414 2.922 0 50 DFAA CCc1noc(COC2CN(C/C(C)=C/c3ccccc3)C2)n1 643833308 LCVYISRSSHMYGD-NTEUORMPSA-N 313.401 2.936 0 50 DFAA C[C@H](c1nnnn1C1CC1)N1CCC[C@H](Nc2ccccc2)C1 192117772 TVPNCGDIANDBNE-HIFRSBDPSA-N 312.421 2.646 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1)C(=O)O 192918077 VIVPLHJTCOKBTE-WFASDCNBSA-N 305.374 2.848 0 50 DFAA Cc1sccc1CC(=O)Nc1cnn(Cc2ccccn2)c1 682486393 UAEVUXDCVNPTOL-UHFFFAOYSA-N 312.398 2.878 0 50 DFAA COc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2C)cc1C(C)C 193717656 XBZSXIZRLCDQFY-UHFFFAOYSA-N 323.418 2.959 0 50 DFAA Cn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H]1CCOC2(CCC2)C1 657401998 JIUUFMKXPTVYKJ-ZMSDIMECSA-N 319.449 2.579 0 50 DFAA C=Cc1ccccc1OCc1nnc([C@@]2(OC)CCOC2)o1 664082638 JGPXXDUPAHAOEW-MRXNPFEDSA-N 302.330 2.554 0 50 DFAA O=C(Nc1ccc(Br)cc1O)C1CCC(O)CC1 253395010 GGMPLRJCMZSSQE-UHFFFAOYSA-N 314.179 2.644 0 50 DFAA COc1cc(Cl)cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)c1OC 1800413073 AQSBMBXAGYGUGA-YABSGUDNSA-N 311.809 2.560 0 50 DFAA CC(C)(C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1)c1ccccc1 1616069121 OBTIIGVBXSDKHX-WMZOPIPTSA-N 324.424 2.733 0 50 DFAA CC[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(C)c(Cl)c1 1772805121 HTCVETHSDYFRNH-RYUDHWBXSA-N 317.838 2.572 0 50 DFAA CCN(CCNc1ncc(F)c(OC)n1)c1cccc(C)c1 1772700280 AWNLFYXZVRXMAB-UHFFFAOYSA-N 304.369 2.871 0 50 DFAA CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)cc1 14557987 LOGDCQQAJGVWBJ-GFCCVEGCSA-N 312.369 2.754 0 50 DFAA Cc1cccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)c1 16578730 CSPCYRMYXBILLN-OAHLLOKOSA-N 300.402 2.606 0 50 DFAA O=C(c1ccco1)N1CCN(Cc2ccccc2Cl)CC1 19790019 HBVHBWPSHBYQJG-UHFFFAOYSA-N 304.777 2.891 0 50 DFAA O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccn2)CC1 19790185 AHZZRGFDOWIOBL-UHFFFAOYSA-N 315.804 2.693 0 50 DFAA COc1ccc(CNc2ncc(C(=O)O)c(C(C)C)n2)cc1 169751226 PVVNFZATUWDPIX-UHFFFAOYSA-N 301.346 2.919 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1Br 4369327 VOCKAIVQKQHOQG-UHFFFAOYSA-N 304.209 2.542 0 50 DFAA in-vitro NC[C@H]1CN(c2ncnc3sccc23)CC[C@H]1C(F)(F)F 630527234 PPXKRFWQZWIGAI-WCBMZHEXSA-N 316.352 2.655 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 237944837 DHFXDEVQAZVYCN-DTWKUNHWSA-N 314.168 2.830 0 50 DFAA CCc1cc2c(N3CC[S@@](=O)CC[C@@H]3C)ncnc2s1 241961283 UQZLYTBPCPRHBG-FVINQWEUSA-N 309.460 2.601 0 50 DFAA C[C@@]1(O)CCOC2(CCN(CCCOc3ccccc3)CC2)C1 1704327954 VSBMANJQTWCVPG-GOSISDBHSA-N 319.445 2.852 0 50 DFAA COC(=O)C1(C(O)(C(F)(F)F)C(F)(F)F)CCCCC1 1848350218 SEYISJYTZZQLHW-UHFFFAOYSA-N 308.218 2.966 0 50 DFAA O=C([C@@H]1CCCCO1)N1CCC(c2nc(C3CCC3)no2)CC1 827064814 PFGJNXFTGOZOMX-AWEZNQCLSA-N 319.405 2.612 0 50 DFAA Cc1cc2nccc(NC(=O)NCC[C@H]3CCCC3(F)F)n2n1 932452507 BMKZVHVHRHBLJO-LLVKDONJSA-N 323.347 2.985 0 50 DFAA O[C@H](c1cc(F)ccc1F)C1CCN(c2ncc(F)cn2)CC1 840331199 JJYKHRRBELQZGA-HNNXBMFYSA-N 323.318 2.844 0 50 DFAA C[C@H](NCc1cccc(S(C)(=O)=O)c1)C(C)(C)C(F)F 658031212 ZKKSHHHRDMEPPC-JTQLQIEISA-N 305.390 2.860 0 50 DFAA O=C(Cc1c[nH]ccc1=O)N1CCC[C@H]1c1cccc(Cl)c1 2325797258 SZSZEHRCIRHLLZ-HNNXBMFYSA-N 316.788 2.935 0 50 DFAA O=C1CN(C(=O)N2CCC[C@H]2c2ccccc2)c2ncccc2N1 2325798248 ZLIPGTAPQJJSBV-HNNXBMFYSA-N 322.368 2.797 0 50 DFAA C[C@H](NC(=O)c1cncc2c(Cl)cccc12)[C@H]1CCN(C)C1 2325802317 ZBJYOWICIFCBSF-RYUDHWBXSA-N 317.820 2.958 0 50 DFAA CCCN1CCC(N2CCN(c3ccccc3F)CC2)CC1 182389 RBMGQVPUHPJQLL-UHFFFAOYSA-N 305.441 2.822 0 50 DFAA COc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 270149 GYIHRSZESCZWBZ-UHFFFAOYSA-N 323.370 2.513 0 50 DFAA COC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3 403722 SSZWMCNKRZDISL-LLVKDONJSA-N 316.353 2.921 0 50 DFAA O=C(COC(=O)c1ccccn1)c1ccc(Br)cc1 443340 OJDWYGXFEFNPEV-UHFFFAOYSA-N 320.142 2.884 0 50 DFAA COc1ccccc1NC(=S)NC(=O)/C=C/c1ccco1 457237 AFNLHDFMTIEZTB-CMDGGOBGSA-N 302.355 2.815 0 50 DFAA CCN(CC)CC(=O)Nc1cc(N(C)C)nc2ccccc12 492817 AIRTUKCRWWAWJD-UHFFFAOYSA-N 300.406 2.581 0 50 DFAA CCOC(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1 528065 QVBUVVUISQWGIL-UHFFFAOYSA-N 320.414 2.867 0 50 DFAA O=C(Nc1c(F)cc(F)cc1Br)[C@@H]1CCCO1 1054914 FDCUPGRVLYYTIR-VIFPVBQESA-N 306.106 2.845 0 50 DFAA Clc1ccc(OCCn2cncn2)c(Br)c1 2844431 IFEUNYBAKMPUFH-UHFFFAOYSA-N 302.559 2.773 0 50 DFAA COc1ccc(CCNC(=O)c2ccc(OC)c(OC)c2)cc1 2865220 CGSXZLAOUMVJHA-UHFFFAOYSA-N 315.369 2.685 0 50 DFAA CCOc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 9295451 KYMXAHRAWGUUKZ-UHFFFAOYSA-N 302.355 2.646 0 50 DFAA C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C)CC1 12380404 HCHSFVKJTXFHGD-SNVBAGLBSA-N 317.216 2.535 0 50 DFAA CC(C)(CO)CN[C@H]1CCCN(c2nc3ccccc3s2)C1 12584767 CPTDJTWCZMKHLV-ZDUSSCGKSA-N 319.474 2.873 0 50 DFAA CCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 13671140 CZGGDNZKZNARSW-UHFFFAOYSA-N 305.399 2.872 0 50 DFAA Cc1nnc(SCC(=O)Nc2ccccc2O)n1CC(C)C 13945024 DCLOOCIOUPZMRY-UHFFFAOYSA-N 320.418 2.679 0 50 DFAA CCCC(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 40456012 DVVXZTPSSZMGSV-CQSZACIVSA-N 302.418 2.903 0 50 DFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)C1Cc2ccccc2C1 55211591 BQNGTNNBOWJOTL-IBGZPJMESA-N 324.424 2.596 0 50 DFAA CCOC(=O)N1CCC(N[C@@H](Cn2ccnc2)C(C)(C)C)CC1 65376032 LNKCMEQKRGDGGM-HNNXBMFYSA-N 322.453 2.508 0 50 DFAA Cc1nonc1[C@H]1CCCN1C(=O)c1cc(CC(C)C)on1 65383071 PZILSILRPLPZED-CYBMUJFWSA-N 304.350 2.542 0 50 DFAA Oc1ccc(Cc2nc(C3CC3)nn2-c2ccccn2)cc1F 65395551 CWVRTKLLLHWGCN-UHFFFAOYSA-N 310.332 2.975 0 50 DFAA Cc1ccc2nc(CN(C)C(=O)c3cc(C)nc(C)n3)[nH]c2c1 67724230 XRLSAEYMPOPPLC-UHFFFAOYSA-N 309.373 2.550 0 50 DFAA CCCO[C@@H](C)C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67868246 OIICXBCQKBFMKL-ZDUSSCGKSA-N 311.385 2.801 0 50 DFAA Cc1n[nH]c(C)c1CNC(=O)c1cccc(CCC(C)(C)O)c1 72421215 VIHFZFKTPIYZND-UHFFFAOYSA-N 315.417 2.660 0 50 DFAA Cc1cc(N[C@@H](C)Cn2nc(C)cc2C)n2nc(C)c(C)c2n1 72435853 WOQCRQKUZRKXSD-LBPRGKRZSA-N 312.421 2.969 0 50 DFAA COCCC[C@H]1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1 77452481 XKKOLJLZVHKOEA-CQSZACIVSA-N 320.433 2.777 0 50 DFAA Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccon3)[nH]n2)o1 91908074 QEVFVZZBXKHQPE-SNVBAGLBSA-N 300.318 2.799 0 50 DFAA CN(C)[C@@H](C(=O)N(CCO)C1CCCCC1)c1ccccc1F 95376872 GOOLEHVPSGXYBN-QGZVFWFLSA-N 322.424 2.582 0 50 DFAA O=c1[nH]cncc1-c1nc(-c2ccncc2)nn1C1CCCCC1 96141715 RFTNYTCSEOGCEW-UHFFFAOYSA-N 322.372 2.596 0 50 DFAA Cn1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1=O 97797514 DVFBCMSMHBCBHC-UHFFFAOYSA-N 320.392 2.586 0 50 DFAA COC[C@H](C)NC(=O)N1CCC(Cc2cccc(F)c2)CC1 125601037 GCHDFAZOGXEWSW-ZDUSSCGKSA-N 308.397 2.825 0 50 DFAA Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)o1 125886458 VYPZOROJGBMGAM-GFCCVEGCSA-N 308.378 2.628 0 50 DFAA CN(C)c1cc(CSCc2ccc(C(N)=O)cc2)ccn1 127363015 FINXTTOPYSRBRZ-UHFFFAOYSA-N 301.415 2.680 0 50 DFAA CNS(=O)(=O)c1ccc(C)c(NC(=O)C2=CCCCCC2)c1 128992187 CCNZOUFNYOLFJU-UHFFFAOYSA-N 322.430 2.732 0 50 DFAA CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 154023256 OMKYCJSJGKNECO-HOCLYGCPSA-N 302.418 2.642 0 50 DFAA CCc1cnc(CNCc2c[nH]nc2-c2ccc(OC)cc2)o1 170083223 MIYZORRHVPNVHH-UHFFFAOYSA-N 312.373 2.926 0 50 DFAA O=C(Cn1ncc2ccccc21)N1CC[C@H](Oc2ccccc2)C1 170626977 LGYWUFTYXUMRDR-KRWDZBQOSA-N 321.380 2.716 0 50 DFAA CCC(C)(C)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 171184672 CNFJJKBRISEIEX-UHFFFAOYSA-N 302.418 2.844 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)Cn1cccc(C)c1=O)CCC2 180489904 FAMSMTKRNOWOKU-QGZVFWFLSA-N 310.397 2.659 0 50 DFAA Cn1cncc1CN1CCC[C@H](COc2cccc(F)c2)C1 215360718 MAAXAAGPZRDQFT-AWEZNQCLSA-N 303.381 2.850 0 50 DFAA O=C(Nc1nc2c(s1)CCCC2)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 222244279 RZNRCIQHDLGKBF-WTTBSCSTSA-N 320.414 2.707 0 50 DFAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1ncc(F)cc1F 223109328 UZUVOGDDOYSCEO-LBPRGKRZSA-N 307.300 2.942 0 50 DFAA C[C@@H](OC(=O)CCCCC(N)=O)c1nc2cc(Cl)ccc2[nH]1 225388624 KIUSEUOCDDLYIR-SECBINFHSA-N 323.780 2.866 0 50 DFAA CCc1ccc(OCC(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 236934968 KRVHLANZTPFYSB-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)COc2ccc3ccccc3c2)C1 237642747 CCLLMMAVXLLRHN-SFHVURJKSA-N 313.353 2.542 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cn1 237979785 WUALACZVUTXEAO-HNNXBMFYSA-N 310.353 2.627 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N1CCCC[C@H]1c1ncon1 241719845 QQBVSMWPKNTGCK-NSHDSACASA-N 302.334 2.611 0 50 DFAA CSCc1noc(CN(C)Cc2nc3ccc(F)cc3[nH]2)n1 244831535 UFNIOLDYVGMYGN-UHFFFAOYSA-N 321.381 2.580 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N(CC(=O)O)Cc1ccccc1 262737364 FTSHEIMRESYQDB-UHFFFAOYSA-N 314.341 2.587 0 50 DFAA Cc1cnccc1NC(=O)N1CCC(C(=O)OC(C)(C)C)CC1 271145326 RJDNKUOEZGBYRL-UHFFFAOYSA-N 319.405 2.976 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2coc(C)c2)c1 282454893 KGLNWIUDNCFGEP-HOCLYGCPSA-N 301.342 2.545 0 50 DFAA COCCn1cc(CN[C@@H]2CCCc3c(F)cc(F)cc32)cn1 295609922 DQUIJOWDLOAPLJ-QGZVFWFLSA-N 321.371 2.975 0 50 DFAA Cc1cccc(CN[C@]2(CO)CCOc3ccccc32)c1F 296767779 LGZCJEBXSPNSLQ-SFHVURJKSA-N 301.361 2.894 0 50 DFAA Cc1nc(C)c(CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)s1 299775676 GXBSOOAITDIXRL-AWEZNQCLSA-N 316.426 2.765 0 50 DFAA CC[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)[C@H]2CCCN2C1=O 328595137 LUDNCDOJNNXNBP-QWHCGFSZSA-N 318.373 2.582 0 50 DFAA CC(C)n1cnc(S(=O)(=O)N2CC[C@@H](CC(C)(C)C)C2)c1 332689919 VKDKRIZNKFJDSA-ZDUSSCGKSA-N 313.467 2.911 0 50 DFAA CCCOc1ccc(CNc2ccc3nc(C)nn3n2)c(C)c1 343209746 WWLLXRCDSQCSLX-UHFFFAOYSA-N 311.389 3.142 0 50 DFAA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1c(C)oc2ccccc12 344810703 GZYVMDNZLXLQLP-UONOGXRCSA-N 317.385 2.546 0 50 DFAA CCOc1cccc2[nH]cc(CC(=O)N3CCOCC[C@H]3C)c12 364607246 MFJACESHJTZWBQ-CYBMUJFWSA-N 316.401 2.747 0 50 DFAA O=C(O)COc1cccc(C(=O)Nc2cccc3ncccc23)c1 432134561 DYQCBBOTXOGQLG-UHFFFAOYSA-N 322.320 2.951 0 50 DFAA O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@H]1CC=CCC1 534661149 QGYQVXSEIZUFAA-JTQLQIEISA-N 319.311 2.987 0 50 DFAA C1CSCC(NCC2CCN(CC3CC3)CC2)CS1 534676862 RLQRKSJLHLGOBO-UHFFFAOYSA-N 300.537 2.547 0 50 DFAA Cc1cccc(-c2n[nH]cc2CN2CCO[C@@H](C(F)F)C2)c1 585080703 NTBQPPJPRJEFBU-CQSZACIVSA-N 307.344 2.851 0 50 DFAA CCc1nocc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 585100343 RKMHJDFTPBGUPW-AWEZNQCLSA-N 319.430 2.865 0 50 DFAA Cn1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c(-c2cccnc2)n1 644618646 KAFAQLVGJKQZQQ-KRWDZBQOSA-N 322.412 2.887 0 50 DFAA O=C([C@H]1CCc2ccccc2O1)N1CCC(c2ccncn2)CC1 665608447 QJXCWGBRMXXSOX-GOSISDBHSA-N 323.396 2.576 0 50 DFAA Nc1ccc([C@@H]2CCCN2Cc2nccn2-c2ccccc2)nn1 886071909 PKUUAKYLPZRBIB-INIZCTEOSA-N 320.400 2.582 0 50 DFAA CC(C)c1scnc1C(=O)N1CCC(CCC(=O)O)CC1 902057216 GIKODXZXOXDTRI-UHFFFAOYSA-N 310.419 2.984 0 50 DFAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)CCN1CCCCC1 1529158611 GIJHXXNLNFRYAK-KRWDZBQOSA-N 320.433 2.547 0 50 DFAA Cc1cc(CNC(=O)N[C@H](C)c2cc(F)ccc2N(C)C)on1 1615615985 WJUKVJYXKNOJQS-LLVKDONJSA-N 320.368 2.749 0 50 DFAA Cc1ccccc1OC1CN(C[C@@H]2CCC(=O)N(C(C)C)C2)C1 1775982410 OYPCHQKSGSLURM-INIZCTEOSA-N 316.445 2.705 0 50 DFAA O=C(NCc1nc2ncccc2o1)c1cc(-c2ccccc2)no1 1857703145 VPNJKGSSNCUYAO-UHFFFAOYSA-N 320.308 2.808 0 50 DFAA Cc1noc(C)c1CN(C)C[C@@H](O)COc1cccc(Cl)c1 1875258671 CDVGHBVIYOZRAJ-CQSZACIVSA-N 324.808 2.817 0 50 DFAA Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(-n2ccnc2)cn1 1875261985 ADCIBWXMZMUKRQ-UHFFFAOYSA-N 318.340 2.704 0 50 DFAA Cc1cc(F)cc([C@@H](C)C(=O)O[C@H]2CC(=O)NC3(CCC3)C2)c1 1875287480 LUYQAVURFKUFJH-DOMZBBRYSA-N 319.376 2.982 0 50 DFAA OC[C@H](O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 2325769749 HRYOXKQQNJCXKW-AWEZNQCLSA-N 304.217 2.559 0 50 DFAA Cc1cn(C(C)(C)C(=O)N[C@@H](C)c2ccc3nc[nH]c3c2)cn1 2325802628 QTKMUEHIBAXWQZ-LBPRGKRZSA-N 311.389 2.680 0 50 DFAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(O)cc1 108932 RSAWHKCUDFOVRB-AWEZNQCLSA-N 314.366 2.834 0 50 DFAA O=C(CNC(=O)c1ccccc1Cl)Nc1ccccc1F 255274 RNQPXYKESZNKMQ-UHFFFAOYSA-N 306.724 2.848 0 50 DFAA COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC(C)(C)C 279835 WSMQHHAMVMVTKK-CQSZACIVSA-N 318.373 2.665 0 50 DFAA COc1cc(NC(=O)COc2ccccc2OC)cc(OC)c1 311095 XOSHVRMFPNSFCX-UHFFFAOYSA-N 317.341 2.730 0 50 DFAA CCOc1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1 444230 PSWSUPVPBCUOIC-UHFFFAOYSA-N 315.398 2.993 0 50 DFAA O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 553044 DARXOOJRTADIPS-LLVKDONJSA-N 318.354 2.884 0 50 DFAA CCCOC(=O)CSc1nnc(-c2ccc(OC)cc2)o1 2981294 FHJNEYAUNNZBMP-UHFFFAOYSA-N 308.359 2.791 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccccc1 4703145 ACYAWSXRIVNVSB-UHFFFAOYSA-N 316.788 2.946 0 50 DFAA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)NC(=O)N1 4810612 OKNNAPXYNDHESS-CQSZACIVSA-N 315.304 2.685 0 50 DFAA CC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 4841499 MBCNEKOYVMOGDR-UHFFFAOYSA-N 313.309 2.635 0 50 DFAA Nc1c(C(=O)NC2CCCCC2)nnn1-c1ccc(Cl)cc1 4984343 SSEKVJZPXVYZDS-UHFFFAOYSA-N 319.796 2.565 0 50 DFAA CCOC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 6699532 LJHVRVDVIOHXCB-ZJUUUORDSA-N 323.370 2.530 0 50 DFAA COc1ccc(CCCC(=O)NCc2c(C)n[nH]c2C)cc1 103270717 AFYVPIHNMZUVBI-UHFFFAOYSA-N 301.390 2.674 0 50 DFAA CN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@H]1c1ccccc1 247973156 FWWQUEFQFBDWQC-RHSMWYFYSA-N 311.385 2.727 0 50 DFAA O=C(O)CNc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 55369543 ADKNJWOFIBHPMV-QGZVFWFLSA-N 324.380 2.991 0 50 DFAA CC(=O)N[C@H](c1ccccc1)[C@H]1C(=O)N(c2ccccc2)N=C1C 101464604 QNVJQRMSYMCIIV-ZWKOTPCHSA-N 321.380 2.903 0 50 DFAA O=C(c1ccc(-n2ccnc2-c2ccccc2)o1)N1CCOCC1 65410780 OMQRSVJTEISQQR-UHFFFAOYSA-N 323.352 2.605 0 50 DFAA COc1cc(OC)c([C@@H]2NCC[C@]3(O)CCCC[C@@H]23)cc1OC 22018140 SDRFMWNQZYYVQM-DOPJRALCSA-N 321.417 2.668 0 50 DFAA CS[C@@H]1CC[C@@H](NC(=O)N2CCc3ccccc3[C@H]2CO)C1 252477769 VGQNCYFNAHGELZ-IIAWOOMASA-N 320.458 2.572 0 50 DFAA OCC[C@@H]1CN(Cc2ccc(F)cc2)CCN1C1CCCC1 20166627 BWXOHCBHBPSQFD-GOSISDBHSA-N 306.425 2.637 0 50 DFAA CCc1cc(CN(C)CC(=O)N[C@@H](C)c2ccc(C)cc2)on1 65506631 FJWRWIZUABJESU-AWEZNQCLSA-N 315.417 2.855 0 50 DFAA O=C(O)[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 253370435 QWANHJZXPCTTKH-RSLMWUCJSA-N 307.777 2.813 0 50 DFAA COc1ccnc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 253396195 LTYYCOKYPWNIID-RDJZCZTQSA-N 302.349 2.537 0 50 DFAA CO[C@H](C(=O)N(C)Cc1nc2ccccc2n1C)c1ccccc1 67446904 HHPBJMODIKBIIW-SFHVURJKSA-N 323.396 2.919 0 50 DFAA CN(C)c1cccc([C@@H]2CCCN2C(=O)CCc2ncccn2)c1 360249734 FGQPLGOVNOGFFE-KRWDZBQOSA-N 324.428 2.839 0 50 DFAA Cc1csc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328645150 SADLOVVALDHTSU-HOCLYGCPSA-N 302.447 2.629 0 50 DFAA CC[C@H](C)Sc1ncc(CN(C)CCn2ccnc2)cn1 215686910 MCBZOYFLSHKEGV-ZDUSSCGKSA-N 305.451 2.696 0 50 DFAA CCN(Cc1ccc(F)cc1)C(=O)c1cnc(N(C)C)nc1C 71749053 RTVGVMFHGCDFCZ-UHFFFAOYSA-N 316.380 2.652 0 50 DFAA O=C(c1cc(O)c2ccccc2c1)N1CC[C@H](n2cccn2)C1 366007286 UILMXDLGCKHHQC-HNNXBMFYSA-N 307.353 2.829 0 50 DFAA COc1ccc(CC(=O)Nc2cccc(CC(=O)O)c2)cc1F 237184393 DLGYJJUIASLOBK-UHFFFAOYSA-N 317.316 2.643 0 50 DFAA Cc1cc(CNC(=O)N2CCCC[C@H]2c2cccn2C)on1 175408316 FQJWSYFVDXKXDA-HNNXBMFYSA-N 302.378 2.758 0 50 DFAA CC(=O)Nc1ccc(CN2CCN(c3ccccc3)CC2)cc1 71930758 RLPYWJCYUVYVFC-UHFFFAOYSA-N 309.413 2.967 0 50 DFAA COc1ccc(OC2CCN(C(=O)CCSC)CC2)cc1 77555036 KOOVHANLSKEIIC-UHFFFAOYSA-N 309.431 2.818 0 50 DFAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCc1cccc(Cl)c1 136308017 LBSALAHKZWDRNS-DDHJSBNISA-N 321.804 2.746 0 50 DFAA CCSCCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 44958943 IYSBCYCOECDULY-UHFFFAOYSA-N 320.458 2.682 0 50 DFAA CCC(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 497278806 SJMXEALXDTVMRR-ZIAGYGMSSA-N 310.438 2.892 0 50 DFAA 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C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ccc(F)cc3)n[nH]c21 1875288494 HYSDPZUFJSBEGS-MNOVXSKESA-N 317.364 2.843 0 50 DFAA CC1=N[C@@H](CCN(C)C)C(=O)Nc2ccc(Br)cc21 1875281834 ZQWLQCFIWGMZPP-ZDUSSCGKSA-N 324.222 2.531 0 50 DFAA COc1ccc(N[C@H](C)c2cc(C3CCOCC3)nn2C)cn1 1875285493 OVLIEBLHISKKHJ-GFCCVEGCSA-N 316.405 2.891 0 50 DFAA Cc1cncc(S(=O)(=O)N(CC(C)C)c2ccc(F)cn2)c1 1875280107 UTFHZAOFQQAVHK-UHFFFAOYSA-N 323.393 2.775 0 50 DFAA O=C(NC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O)Nc1ncc(C2CC2)s1 1875306384 COQLENTUCKWRBH-WISYIIOYSA-N 307.419 2.549 0 50 DFAA Cc1nc(O)cc(N2CCO[C@H](c3ccccc3Cl)C2)n1 892324657 BEMUZXCZELLRQS-ZDUSSCGKSA-N 305.765 2.722 0 50 DFAA O=C(c1cc(F)c(Cl)cc1F)N1CCC[C@@H]2C[C@@]21CO 1775999772 WBCQRLSYLIEQQK-XLKFXECMSA-N 301.720 2.605 0 50 DFAA CCO[C@H]1COCC[C@@H]1NC(=O)c1[nH]c2c(F)cccc2c1C 1565511266 XDWMCXJSMDKRFC-KBPBESRZSA-N 320.364 2.539 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N(C[C@@H]2CCOc3ccccc32)C1=O 272352730 FWUSRGPPUMSHNY-HUBLWGQQSA-N 302.374 2.519 0 50 DFAA 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317.164 2.546 0 50 DFAA CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 118826 RDESGHCWCBCERU-UHFFFAOYSA-N 301.415 2.752 0 50 DFAA O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccccc1Cl 463566 XUOLPKIXHSVHQM-UHFFFAOYSA-N 315.712 2.542 0 50 DFAA CC(C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 1407769 GHSOUGWDQSHMEI-CYBMUJFWSA-N 309.369 2.984 0 50 DFAA CCCOC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 1778832 XMPZLRYEOJUPOK-UHFFFAOYSA-N 302.326 2.614 0 50 DFAA O=C(NCCc1ccncc1)c1ccccc1Br 4708726 QVDHLFIPAAOOFT-UHFFFAOYSA-N 305.175 2.817 0 50 DFAA CCOC(=O)CSc1nnc(Cc2cccs2)n1CC 6742052 MSJOSKNKTLMWRK-UHFFFAOYSA-N 311.432 2.606 0 50 DFAA COc1cccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1O 106577029 QRFIWWWWAXYDMU-UHFFFAOYSA-N 302.355 2.983 0 50 DFAA COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@@H](C)C4)cc1 9225453 VKWCGZISXVMVGR-JTQLQIEISA-N 322.368 2.873 0 50 DFAA CCOC(=O)c1cnc2nc(-c3ccccc3Cl)nn2c1C 9341290 GVMRIJNLRCKVAF-UHFFFAOYSA-N 316.748 2.930 0 50 DFAA Cc1nc(C2CCNCC2)cc(N2CCOc3ccccc3C2)n1 67673944 NHBQJPITMVRWKL-UHFFFAOYSA-N 324.428 2.651 0 50 DFAA 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DFAA CCn1cc(CNC(=O)N2CCC[C@@H]2c2ccccc2C)nn1 661719214 UFUXMCYMACWLSO-MRXNPFEDSA-N 313.405 2.653 0 50 DFAA NC(=O)C[C@@H]1CCCN(c2ncccc2C(F)(F)F)CC1 671439700 QKGSXEJLTCEBTC-SNVBAGLBSA-N 301.312 2.582 0 50 DFAA Cc1oncc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 585086984 UYBSAPNDXFETAL-INIZCTEOSA-N 316.357 2.881 0 50 DFAA CCCn1nc(C)cc1NC(=O)[C@H]1CC(=O)OC12CCCCC2 1529173618 NNUBNKSXNLNKDC-CYBMUJFWSA-N 319.405 2.806 0 50 DFAA CCc1nc2ccccc2n1[C@H]1CCCN(S(=O)(=O)CC)C1 1615057658 ILMUQQMQNKTFDS-ZDUSSCGKSA-N 321.446 2.585 0 50 DFAA CCn1c(C)nnc1CN1CCCC[C@@H]1Cc1ccc(O)cc1 1615588093 WZISEIYLOBYROZ-MRXNPFEDSA-N 314.433 2.909 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@H]1C[C@H](N)C12CCC2 1615555366 RWLJKNUFXBGCBM-UWVGGRQHSA-N 302.296 2.607 0 50 DFAA Cc1noc(C)c1C(=O)N1CCO[C@@H](c2ccccc2)CC1 1615614727 ILRZTSVEJJRCOY-OAHLLOKOSA-N 300.358 2.895 0 50 DFAA COc1ccc2[nH]c(=O)c(CN(C)C(=O)C(C)(C)C)cc2c1 5197821 HMPXIVKZJPRWNK-UHFFFAOYSA-N 302.374 2.541 0 50 DFAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(C)=O 12431075 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FC(F)c1cc(CN=c2[nH]ccn3nc(C4CC4)cc23)on1 2325767457 YWEQFLLQEFEFMD-UHFFFAOYSA-N 305.288 2.566 0 50 DFAA Cc1cc(=NCc2cnc(C(C)C)[nH]2)nc(-c2ccncc2)[nH]1 2325775566 JSOIQAPFHZNNOU-UHFFFAOYSA-N 308.389 2.728 0 50 DFAA N[C@H]1CCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 237919423 YDFDYNZHDLMLAL-VIFPVBQESA-N 307.246 2.937 0 50 DFAA COc1cc(SC)ccc1C(=O)Nc1ccc(C(N)=O)cc1 30867 CHVKTUVEQVXNRK-UHFFFAOYSA-N 316.382 2.768 0 50 DFAA C[C@H]1CN(C(=O)C2CCCC2)[C@@H](C)CN1C(=O)C1CCCC1 371557 FUDDKSPYCQVJHU-KBPBESRZSA-N 306.450 2.815 0 50 DFAA CCc1c(C(=O)O)[nH]c(=S)n(-c2cccc(Cl)c2)c1=O 405161 PLKCLCHQPRFVHM-UHFFFAOYSA-N 310.762 2.809 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 4011389 ZXNXSHQDXNFBFW-ZDUSSCGKSA-N 308.765 2.921 0 50 DFAA C[C@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 4942738 UIKCJBGQQFMWLO-UONOGXRCSA-N 312.369 2.530 0 50 DFAA CN(C)Cc1ccc([C@@H]2CC[C@H](c3ccc(CN(C)C)[nH]3)N2)[nH]1 6378959 SFXBYWGDODJASS-HDICACEKSA-N 315.465 2.632 0 50 DFAA CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccco2)c1 9231203 XLGPPIULWTXBEJ-UHFFFAOYSA-N 317.370 2.755 0 50 DFAA CC[C@H](C)c1ccccc1OCCOCCN1CCOCC1 20118483 JCVLXJONDCEMJM-INIZCTEOSA-N 307.434 2.928 0 50 DFAA CC(=O)N1CC[C@H](CN(C)[C@H](C)CCc2cccc(F)c2)C1 248385202 HNTZTDAEGXXAMI-RHSMWYFYSA-N 306.425 2.947 0 50 DFAA CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10314303 WRAAJSCVOLZZFJ-UHFFFAOYSA-N 318.398 2.546 0 50 DFAA COc1cc(-c2noc([C@@H]3CCC(=O)c4cccn43)n2)cnc1C 351166624 QTFNDKSOQAWCHS-ZDUSSCGKSA-N 324.340 2.816 0 50 DFAA O=C(Nc1ccc2c(c1)OCCO2)c1noc2c1CCCCC2 20494134 DCRYQUFQYAGRIS-UHFFFAOYSA-N 314.341 2.967 0 50 DFAA O=C(Nc1cccc2[nH]ncc12)c1ccccc1[C@@H]1CCNC1 72122412 SICUWWRVPXGQSI-GFCCVEGCSA-N 306.369 2.892 0 50 DFAA CS[C@H]1CCCCN(C(=O)NCC(=O)Nc2ccccc2)C1 126547262 ONIRHXFTNFGHTF-AWEZNQCLSA-N 321.446 2.552 0 50 DFAA O=C1NCCN1CCN1CCC[C@H]1[C@@H]1CCCc2ccccc21 368007360 FMTCZQXPAXFIAZ-MSOLQXFVSA-N 313.445 2.596 0 50 DFAA O=C(c1cnc2ccccc2n1)N1CC[C@H](O)c2ccccc2C1 378631506 HKMWEETYDYWKJA-SFHVURJKSA-N 319.364 2.709 0 50 DFAA O=C(c1ccc(-n2cnnc2)cc1)N1CC[C@@H]1c1ccccc1F 374035096 BSWLXIMCCACPKE-QGZVFWFLSA-N 322.343 2.994 0 50 DFAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(CO)cc2)C1 375161046 QLTHMFWIAMSUBK-QGZVFWFLSA-N 316.401 2.575 0 50 DFAA O[C@@H]1CN(Cc2nc3cc(Br)ccc3o2)CC12CC2 375661786 WNVVMHLXXAWBHU-GFCCVEGCSA-N 323.190 2.547 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1Cc2ccccc2S1 73809324 NFCKDJWOBFUGMK-HNNXBMFYSA-N 302.399 2.967 0 50 DFAA CC(C)n1cncc1CN1CCN(c2ccc(F)cc2)CC1 215192959 NCNJWPPZVOWHEV-UHFFFAOYSA-N 302.397 2.925 0 50 DFAA O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C[C@H]2CCCO2)C1 239654493 BOAIBHABMLPJFK-RBSFLKMASA-N 315.335 2.992 0 50 DFAA CCCc1ncncc1C(=O)N(CC1CCC1)C[C@@H]1CCCO1 215274048 YFEWNDMYWVTMJZ-HNNXBMFYSA-N 317.433 2.850 0 50 DFAA Cc1c(CN[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cnn1C 131436862 YZRVJEKHEANQNJ-CABCVRRESA-N 322.453 2.654 0 50 DFAA COC[C@@H](O)CN[C@@H](Cc1cccnc1)c1cccc(Cl)c1 338789964 ITPHMXPUIMKBCZ-IRXDYDNUSA-N 320.820 2.616 0 50 DFAA Cc1cc(N2CCN[C@@H](c3ccccc3)C2)n2nc(C)c(C)c2n1 72406841 IPDLMKNOSDYWQD-QGZVFWFLSA-N 321.428 2.805 0 50 DFAA O=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@H]1CO 426379961 WERCPQLXJABWKB-AWEZNQCLSA-N 302.399 2.797 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 178270803 MNNRJBUMMXPVOO-GFCCVEGCSA-N 310.353 2.659 0 50 DFAA Cc1[nH]cnc1CN1CCC[C@@H](N(C)CCc2ccccc2)C1 20135874 YTEBNGYMBOQESZ-GOSISDBHSA-N 312.461 2.857 0 50 DFAA Cc1c([C@H](C)NC(=O)CO)cnn1-c1cccc2ccccc12 91381183 FREQTQQDIYUXNJ-LBPRGKRZSA-N 309.369 2.503 0 50 DFAA CC(C)c1cc(C(=O)N2C[C@H](CO)c3ccccc32)cc(O)n1 293865788 ISIKTVMSYNHSFN-CYBMUJFWSA-N 312.369 2.647 0 50 DFAA Cc1ccc(F)c(C(=O)N2Cc3nnc(C)n3[C@H](C)C2)c1Cl 96138135 UWHSHUUGTRRUBS-SECBINFHSA-N 322.771 2.904 0 50 DFAA Cc1cc(CNC(=O)C2CCN(C3CCCCC3)CC2)no1 95352252 ZJFQHTXWMGHQCP-UHFFFAOYSA-N 305.422 2.644 0 50 DFAA COc1ccnc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 91350851 CDQPULWVWBDBFI-FUHWJXTLSA-N 315.461 2.787 0 50 DFAA COc1ccccc1CCc1nc2c([nH]1)CC(C)(C)CNC2=O 95385227 QQRZTZDQCDVPLB-UHFFFAOYSA-N 313.401 2.516 0 50 DFAA CCN(CCN1C[C@@]2(CCOC2)CCC1=O)c1cccc(C)c1 91624993 WZHALRWFQVRHQJ-IBGZPJMESA-N 316.445 2.850 0 50 DFAA COCC[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2C)C1 244795629 RKIGMRBCHKXPGR-CQSZACIVSA-N 308.397 2.821 0 50 DFAA Cc1cc([C@H]2CCCCN2CCC(=O)Nc2cccnc2)no1 252488424 IRQKJNQWDPOADF-MRXNPFEDSA-N 314.389 2.934 0 50 DFAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C[C@H](O)C2 257357487 OGTAAAIBHKSLGA-RWFBDKOUSA-N 306.446 2.930 0 50 DFAA CC[C@@H](NC(=O)c1c(C)nc2ccc(Cl)cn12)[C@H]1C[C@H](O)C1 252549936 RXCUKRSKIYJLJM-RAIGVLPGSA-N 321.808 2.575 0 50 DFAA CCOC(=O)Cc1ccnc(Br)c1Br 263623537 IHCRUVCDAKDAPZ-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA CCn1cc(NC(=O)N2CCC[C@@H]2c2cccc(OC)c2)nn1 299799990 YKDDWQCYTINEHB-CQSZACIVSA-N 315.377 2.676 0 50 DFAA Cc1ccc(N2CCN(C(=O)Cc3ccncc3)[C@H](C)C2)cc1 584890991 WVJWISYUMUZBSI-MRXNPFEDSA-N 309.413 2.670 0 50 DFAA C[C@H](NC(=O)c1cc2cc(F)ccc2n1C)c1cnn(C)c1 584903970 GWNHCPYPLKAJEX-JTQLQIEISA-N 300.337 2.542 0 50 DFAA O=Cc1cn(CC(=O)N2CCC[C@@H]2c2ncc[nH]2)c2ccccc12 1152143462 BENRUQMEXDKVGQ-MRXNPFEDSA-N 322.368 2.541 0 50 DFAA Cc1cnc(N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)nc1C 685941233 VLHUDIIXOCUZSA-CABCVRRESA-N 324.432 2.719 0 50 DFAA C[C@@]1(c2noc(CC3CCC4(CC3)OCCO4)n2)CCCCO1 1875392815 VNUDMUFAZQZSLR-INIZCTEOSA-N 322.405 2.961 0 50 DFAA O[C@@]1(CNCc2cnn(-c3ccccc3)c2)CCc2ccccc21 269761693 BTEJHFWSHQDINB-HXUWFJFHSA-N 319.408 2.796 0 50 DFAA Cc1nc([C@H]2CCCCN2Cc2cn(C)nc2C2CC2)no1 891761548 GLSBGINDXAEANZ-CQSZACIVSA-N 301.394 2.716 0 50 DFAA O=C(NCc1cn(C[C@H]2CCCC2(F)F)nn1)c1ccccc1 899722559 XUHKWWCGKRECEM-CYBMUJFWSA-N 320.343 2.644 0 50 DFAA CCn1ncc(C(=O)N2CCCc3c2ccc2nc(C)[nH]c32)c1C 1775987398 QABKDDZZVOAPMR-UHFFFAOYSA-N 323.400 2.989 0 50 DFAA Cc1ccc(F)c(CC(=O)N[C@@H](c2nc(C)no2)C(C)C)c1 1463517263 VIEFKSMOIOHPGA-OAHLLOKOSA-N 305.353 2.882 0 50 DFAA CSCC[C@H](C)N(C)c1cc(N2CCSCC2)ncn1 277822450 OZNIOOJTVVWDKZ-LBPRGKRZSA-N 312.508 2.608 0 50 DFAA O=C1N[C@@H]([C@@H]2CCCOC2)C(=O)N1c1cccc2ccccc12 170091184 ILIOABOYCIPMOQ-CJNGLKHVSA-N 310.353 2.691 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cc3nccnc3cc2F)C(C)(C)O1 280255079 XIZHVJYJJHHGML-AWEZNQCLSA-N 317.364 2.845 0 50 DFAA Cc1ccc([C@H](C)N(C)c2nc(O)c3cnn(C)c3n2)c(C)c1 674064456 WSMRNDKEPIWEBX-LBPRGKRZSA-N 311.389 2.883 0 50 DFAA C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1cc2n(n1)CCC2 414051287 JEEWGUYAIZVIDM-YOEHRIQHSA-N 314.433 2.910 0 50 DFAA Fc1ccc(CN2CCN(c3cc(C4CC4)n[nH]3)CC2)cc1F 189633891 YLHYZZUMSKPTES-UHFFFAOYSA-N 318.371 2.888 0 50 DFAA CC[C@@H](SC)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 190645521 VBPBHDDQZPIJKM-HZPDHXFCSA-N 321.490 2.504 0 50 DFAA Cc1nc(-c2cccc(NC(=O)[C@@H](C)n3cncn3)c2)cs1 193063327 LURWBCQIIFTQHI-SNVBAGLBSA-N 313.386 2.910 0 50 DFAA COc1ccc2c(c1)OCCC[C@@H]2NCCOc1cccnc1 195561629 QASBNVWDXFSJEG-KRWDZBQOSA-N 314.385 2.973 0 50 DFAA Cc1cc(C)n(-c2ccccc2CN(C)C[C@H]2CCN(C)C2)n1 1506428387 OSVRIZGRERUAOT-KRWDZBQOSA-N 312.461 2.873 0 50 DFAA C[C@H](Nc1ncc(F)c(N2CCOCC2)n1)C1=CCCCC1 1529186256 AYRXMTCNNYVQNE-LBPRGKRZSA-N 306.385 2.753 0 50 DFAA Cc1nc[nH]c1CN(CCO)C(=O)c1ccc(C(C)(C)C)cc1 1704313983 VMFRLVIENQEAAL-UHFFFAOYSA-N 315.417 2.650 0 50 DFAA O=C(c1ccc2scnc2c1)N1CCC[C@@H](C2(O)CC2)C1 1772804430 OWDDPRGGMKFEOY-GFCCVEGCSA-N 302.399 2.673 0 50 DFAA COc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1 5051390 AAWUNGVYQODQEI-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA COCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1 12404221 PWGJEOMDVFGPPV-UHFFFAOYSA-N 318.398 2.767 0 50 DFAA Nc1c(Br)cc(OC(F)(F)F)cc1C(=O)O 16159480 QQAWRUJXYLTDOJ-UHFFFAOYSA-N 300.030 2.628 0 50 DFAA CCN1CCC(NC(=O)c2ccc(Br)cc2)CC1 16603794 PISNVHJCSJINJI-UHFFFAOYSA-N 311.223 2.663 0 50 DFAA Cc1ccc(N(C(=O)C(C)C)[C@@H]2C=CS(=O)(=O)C2)c(C)c1 16839798 NQUVJVTYIINFTO-CQSZACIVSA-N 307.415 2.603 0 50 DFAA CC[C@@]12COC(=O)N1CCN(CCCOc1ccc(F)cc1)C2 1857686431 WPCYRSVIJDEEPQ-QGZVFWFLSA-N 322.380 2.511 0 50 DFAA Cc1cccc(CCN2CCN(c3ccc(F)cn3)[C@@H](C)C2)n1 1857698876 ADSQGKHNCDEXQW-HNNXBMFYSA-N 314.408 2.677 0 50 DFAA O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1c1ccccc1 142145 XHEPJCPKMJNEBI-UHFFFAOYSA-N 314.728 2.828 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3C[C@H](O)C(C)(C)C3)n[nH]2)c(C)c1 408266836 UHGYTAMZMHMPFL-INIZCTEOSA-N 313.401 2.536 0 50 DFAA CO[C@H](CNCc1ccc(-n2cncn2)cc1)C1CCCCC1 657782399 KQTTZRWXUBCRHJ-GOSISDBHSA-N 314.433 2.952 0 50 DFAA C[C@H]1CN(C)c2ccccc2N(C(=O)c2cc(N(C)C)ccn2)C1 131290678 JTOHARNRIREACN-AWEZNQCLSA-N 324.428 2.880 0 50 DFAA C[C@H](O)[C@@H]1CCN(C(=O)N[C@H](C)CCc2cccc(F)c2)C1 253369896 JONBXRHPVNVVNB-VNHYZAJKSA-N 308.397 2.559 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)N2CCCCO2)cc1OC 253393306 ZRKKKKQTJWJJCW-LBPRGKRZSA-N 308.378 2.892 0 50 DFAA OC[C@H]1CCN(Cc2sc3ccccc3c2Cl)C[C@@H]1O 570883995 CZBYWWIXGCAYEW-PWSUYJOCSA-N 311.834 2.730 0 50 DFAA COc1ccc(-c2n[nH]cc2CN2CCO[C@@H](C3CC3)C2)cc1 364509238 BRQUBYXDLGVBAU-QGZVFWFLSA-N 313.401 2.696 0 50 DFAA O=C(O)CC1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 263225661 CDOBVPQFMPSCJG-MRXNPFEDSA-N 317.385 2.517 0 50 DFAA COc1ncc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cn1 837936724 QMXSPTUHSVYKLR-JKSUJKDBSA-N 311.385 2.894 0 50 DFAA C[C@H](CN(C)C(=O)NC[C@@H]1CNCCC1(F)F)C(C)(C)C 2325761955 FIHROEKACMHNQC-NEPJUHHUSA-N 305.413 2.555 0 50 DFAA Fc1cccc(-c2n[nH]cc2CN2CCN(C3CCC3)CC2)c1 2325854208 RZFPIBYTYKHJTM-UHFFFAOYSA-N 314.408 2.886 0 50 DFAA N[C@H]1Cc2ccccc2N(C(=O)c2cc3cnccc3cc2F)C1 2325857084 OQQPHCKDPPBESZ-HNNXBMFYSA-N 321.355 2.904 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 864917400 IRSAMZMANPBBKZ-HOTGVXAUSA-N 314.385 2.595 0 50 DFAA Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 286089 KMQKZQMFFWHRLZ-UHFFFAOYSA-N 310.397 2.723 0 50 DFAA Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 379250 XPWXFKFJLFVPPC-UHFFFAOYSA-N 319.382 2.875 0 50 DFAA Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 408991 IGTDQQQQQXFYIT-UHFFFAOYSA-N 310.382 2.946 0 50 DFAA CCOC(=O)[C@@](O)(c1ccc(NC(C)C)cc1)C(F)(F)F 2499455 BUGSKODEGJMGJW-ZDUSSCGKSA-N 305.296 2.820 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)cc1 4600621 VLSIQIOHIRWTTR-LBPRGKRZSA-N 315.325 2.556 0 50 DFAA COC[C@@H](C)NCc1cc(Br)c(OC)cc1OC 4685533 TZYKLCFJCLSKCF-SECBINFHSA-N 318.211 2.591 0 50 DFAA CCOC(=O)c1c(C)nsc1NC(=O)COc1ccccc1 6731375 DWKDBAPTEFKKQU-UHFFFAOYSA-N 320.370 2.646 0 50 DFAA CCc1cc(OC)ccc1CN1CC[C@H](c2nc(C)no2)C1 344838468 YPHWBCBDXLXHIH-HNNXBMFYSA-N 301.390 2.939 0 50 DFAA Cc1ccc(F)cc1CNC(=O)c1cccc(NCC(=O)O)c1 55414689 MHPDDNRFIGTEAA-UHFFFAOYSA-N 316.332 2.561 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](c2ccccn2)[C@@H](C(=O)O)C1 103303164 DGACUMXQCONDIJ-NEPJUHHUSA-N 306.362 2.507 0 50 DFAA CCCN(Cc1ccc(SC)cc1)C(=O)CN1CCCC1=O 65407328 DKEFIEUVBRBNJZ-UHFFFAOYSA-N 320.458 2.770 0 50 DFAA CCc1cc(CN(C)C(=O)[C@H](O)c2ccc(Cl)cc2)on1 67896499 NJPQORPISQAHHH-CQSZACIVSA-N 308.765 2.582 0 50 DFAA CCN1CCC[C@@H]1Cn1ccnc1-c1nc2ccccc2n1C 67842546 KBLSTIUFDNQBGT-CQSZACIVSA-N 309.417 2.921 0 50 DFAA Cc1cccc(NC(=O)CN(CCO)Cc2cccs2)c1C 65532812 URMGLXWWWUQVHR-UHFFFAOYSA-N 318.442 2.798 0 50 DFAA CCc1nnnn1-c1ccccc1NC(=O)Cc1ccccc1C 118742305 PQOUNGDMKIIZQK-UHFFFAOYSA-N 321.384 2.714 0 50 DFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(=O)cc(C)o1 221443788 MCODCBPAKLTHLK-MRXNPFEDSA-N 313.353 2.764 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccnc1Cl 252486098 FLDCOYSPQGLMDB-JLLWLGSASA-N 308.765 2.593 0 50 DFAA O=C(C1=CCCC1)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 120468444 LWEKFGDVPBPSFS-GFCCVEGCSA-N 318.446 2.718 0 50 DFAA O=C(O)[C@@H](c1ccsc1)N1CCO[C@@H](Cc2ccccc2)C1 328599489 SJRVAICLYCUNCQ-JKSUJKDBSA-N 317.410 2.817 0 50 DFAA Cc1cc(C=C2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)no1 366211235 RAPKKFXNKMJTRD-KRWDZBQOSA-N 312.369 2.722 0 50 DFAA CCNC(=O)C[C@H]1CCCCN1Cc1cn2cc(C)ccc2n1 284811279 PGJYEZWKHJONOJ-MRXNPFEDSA-N 314.433 2.523 0 50 DFAA CCCCN1C[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O 77440106 YMIBBRQLOQVKJM-GOSISDBHSA-N 317.433 2.660 0 50 DFAA Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC=C(F)C2)cc1 368594622 WZRZQPRWYLEHHD-MRXNPFEDSA-N 316.376 2.572 0 50 DFAA O=C(NCc1noc2c1CCCC2)NC[C@@H]1CCCC1(F)F 333506498 LDMPUIWGSYPSFG-JTQLQIEISA-N 313.348 2.788 0 50 DFAA O=C(CCCc1ccc(Cl)cc1)NCCSc1ncn[nH]1 77376749 BEJALRVOCWJSKF-UHFFFAOYSA-N 324.837 2.689 0 50 DFAA CCOP(=O)(CS(=O)(=O)c1ccc(C)cc1)OCC 34256732 LBFOEWHXHLPENT-UHFFFAOYSA-N 306.320 2.992 0 50 DFAA COC(=O)c1ccc(NC(=O)Nc2cccc(C(=O)O)c2)cc1 13746897 CADIHHXPLMTZDL-UHFFFAOYSA-N 314.297 2.815 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 238101578 FSKZZWFMSFVZFO-AWEZNQCLSA-N 317.385 2.945 0 50 DFAA COc1cccc([C@@H]2CCCN2C(=O)Cc2cc(C)no2)c1 77355058 HENVRAWHSUIZAR-INIZCTEOSA-N 300.358 2.898 0 50 DFAA C[C@H](CNC(=O)c1cccc(CCC(C)(C)O)c1)n1ccnc1 72474396 RMVDTVJZNRLGBS-CQSZACIVSA-N 315.417 2.578 0 50 DFAA Cc1cc(C)cc(O[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2O)c1 72117486 QYNDLZFKOMCRBM-PVAVHDDUSA-N 305.418 2.833 0 50 DFAA CC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 225389024 CEKHRQLCXQGCEK-QEJZJMRPSA-N 307.415 2.604 0 50 DFAA O=C(O)[C@@H]1CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 95501268 KPROHBXUSMPKHQ-NSHDSACASA-N 305.717 2.899 0 50 DFAA Cc1nc(N)nc(N2CCC[C@@H](C(=O)c3cccs3)C2)c1C 91679763 WIEXXDSCQIZIHP-GFCCVEGCSA-N 316.430 2.836 0 50 DFAA Cc1nn(C)c2nc(N3CCO[C@H](c4ccccc4)C3)sc12 95519659 BWMYVFMCRJVPAG-ZDUSSCGKSA-N 314.414 2.916 0 50 DFAA CC(C)N(C)c1cccc(NC(=O)NC[C@@H]2CCC[C@H]2O)c1 245338767 OLBYOGSXSLGJGB-XJKSGUPXSA-N 305.422 2.814 0 50 DFAA CC1(C)COCCN1CCN[C@@H]1CCCc2cc(F)ccc21 182801743 AHZUTJDGSZRALW-QGZVFWFLSA-N 306.425 2.904 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@H](CC(=O)O)CC2)cc1 299744473 OXVWYCVKLQKCAC-ZDUSSCGKSA-N 305.374 2.550 0 50 DFAA CC1=NO[C@](C)(C(=O)N2CCc3[nH]c4c(C)cccc4c3C2)C1 299786640 XITDHKPSSOXGNT-SFHVURJKSA-N 311.385 2.916 0 50 DFAA CCCOc1ccc(OCCN2CCn3nc(C)cc3C2)cc1 299760119 RRMWONYWLMHIOP-UHFFFAOYSA-N 315.417 2.875 0 50 DFAA Cc1nc(CC(=O)N2CC[C@H](Oc3ccccc3)C2)cs1 299759890 OMMYVWYDERFACZ-HNNXBMFYSA-N 302.399 2.674 0 50 DFAA CC[C@H](NC(=O)c1cc(-c2cccn2C)[nH]n1)c1ccncc1 822662190 WCXOCCHGWSJGBB-ZDUSSCGKSA-N 309.373 2.691 0 50 DFAA Cc1cccc(C(=O)N2CCC[C@H]2c2nc(C(=O)O)cs2)n1 585134365 PLYSHTUYXXIMLV-LBPRGKRZSA-N 317.370 2.522 0 50 DFAA CCCc1nc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)no1 670452197 MIMLPIQQCGRBSO-INIZCTEOSA-N 314.433 2.980 0 50 DFAA c1cc([C@@H]2CCCN(Cc3cnc(N4CCCC4)s3)C2)n[nH]1 670456645 GPLWZXKDTIIREU-CYBMUJFWSA-N 317.462 2.846 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NCCCC3(O)CCC3)[C@H]1C2 1875275599 BGLRPWQTRVCMTR-SOUVJXGZSA-N 324.465 2.669 0 50 DFAA Fc1cc(C(F)F)cnc1N1CCCC[C@@H]1Cn1ccnn1 1875395269 UTPHRGPBCIWLRK-LLVKDONJSA-N 311.311 2.809 0 50 DFAA Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]43)c12 1875318391 IOINZSNQDQLDAQ-YWPYICTPSA-N 310.401 2.682 0 50 DFAA CN(C)c1cccc(C(=O)N2CCCC[C@@H]2C2CCOCC2)n1 1875330632 WCKYXEQNNCHKFA-MRXNPFEDSA-N 317.433 2.569 0 50 DFAA CC(C)(CNC(=O)c1cc2c(cc1F)NC(=O)CC2)C1CC1 887376735 MDWPLOQKXUTJEX-UHFFFAOYSA-N 304.365 2.876 0 50 DFAA CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 79031717 ALIVCUSTZCGWKQ-LLVKDONJSA-N 313.394 2.544 0 50 DFAA in-vitro CN1CCN(C(=O)c2ccnc3ccncc23)c2ccc(F)cc21 185760666 CBYNZIQHGLTTRA-UHFFFAOYSA-N 322.343 2.866 0 50 DFAA Cc1[nH]nc(C(F)F)c1NC(=O)c1n[nH]c2c1CCCCC2 276947224 XJVIVEOCRQHUIG-UHFFFAOYSA-N 309.320 2.900 0 50 DFAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3cccnn3)C2)cc1 279072979 RDFINVSXMKQNSW-GDBMZVCRSA-N 310.401 2.873 0 50 DFAA C[C@@]1(CNC(=O)c2ccc3nc(S)oc3c2)CCCC[C@@H]1O 170651965 RPQMEQLZTDXPNL-BBRMVZONSA-N 320.414 2.788 0 50 DFAA CCO[C@H]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)C12CCCCC2 187132049 ANJRVYXPCSZQBW-CVEARBPZSA-N 319.449 2.813 0 50 DFAA Cc1occc1CN(C)C(=O)C[C@@H](n1ccnc1)C(F)(F)F 635412641 ACYAERBKTRAPMP-GFCCVEGCSA-N 315.295 2.937 0 50 DFAA NC(=O)[C@H](NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccccc1 225228842 RJYIBWBRAMIQPB-IPMKNSEASA-N 324.424 2.971 0 50 DFAA C[C@H]1C(=O)NCCCN1Cc1cc(-c2ccc(Cl)cc2)no1 189299802 XAXJXVGZYWLHRP-NSHDSACASA-N 319.792 2.705 0 50 DFAA CC[C@H](C)NC(=O)CN1CCC[C@@H]1Cc1ccccc1OC 194650767 VCDRZDQBGHASIH-GOEBONIOSA-N 304.434 2.617 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 195551046 NIIUFRAOAAKVMG-GYSYKLTISA-N 309.312 2.534 0 50 DFAA O=C(c1ccncc1)N1CCC2(CC1)OCCc1sccc12 1704299607 RWVRVIMNIWNEMG-UHFFFAOYSA-N 314.410 2.847 0 50 DFAA CCCOc1ccccc1-c1nnc(N2CC[C@@H](N(C)C)C2)o1 1704314814 UMXXWRUKSLPXBB-CYBMUJFWSA-N 316.405 2.666 0 50 DFAA CCOC(=O)c1c(N)sc2c1CCC1(CCN(C)CC1)C2 202299190 VCOQKENPZPKTSI-UHFFFAOYSA-N 308.447 2.708 0 50 DFAA CCOc1ccc(CN2CC[C@H]([C@H]3CCCO3)[C@@H]2C(=O)O)cc1 1616036602 ZBFGEPDMNAIIJV-BRWVUGGUSA-N 319.401 2.539 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c(C)c1 15465420 WGQMLAMPWALGBL-ZBFHGGJFSA-N 314.429 2.915 0 50 DFAA Cc1noc(C)c1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 16580058 SXEWCLAIKFQWFX-UHFFFAOYSA-N 313.357 2.780 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2cnc(C)nc2O)C[C@H](C(C)C)O1 1875246542 AYHHTTJAQSRVPH-UKRRQHHQSA-N 321.421 2.546 0 50 DFAA C[C@@H]1CCCN(c2nccc(N3Cc4ccccc4C3)n2)[C@H]1CN 630510613 XDYQLBGJCVKJQB-PBHICJAKSA-N 323.444 2.560 0 50 DFAA CO[C@@H]1CCC[C@@H](CC(=O)Nc2ncccc2NC(C)=O)C1 331043458 FKQILLKAESDNBA-CHWSQXEVSA-N 305.378 2.574 0 50 DFAA Cc1cc(-c2nc(C(=O)NCC(C)(C)CCCO)co2)ccn1 450391210 MWKDMPGKTBTAFR-UHFFFAOYSA-N 317.389 2.574 0 50 DFAA Cc1nc(CC(=O)N2CCC[C@@H]2c2ccccc2Cl)n[nH]1 666837282 PVSWOZORMLTONZ-CYBMUJFWSA-N 304.781 2.673 0 50 DFAA Cn1ccnc1[C@@H](NCc1ccc(Cl)o1)C1CCOCC1 671433874 LXIDSMNBQNBQJQ-AWEZNQCLSA-N 309.797 2.924 0 50 DFAA O=C(Nc1ccc2[nH]ccc2c1)C1CCN(c2cnccn2)CC1 265094714 VFRHJHIEJCBUTM-UHFFFAOYSA-N 321.384 2.813 0 50 DFAA O=C(O)COc1ccc(CN2CCOc3ccccc3C2)cc1 902176687 VQJAXKJGCUTPSI-UHFFFAOYSA-N 313.353 2.545 0 50 DFAA NC(=O)Nc1ccc(NC(=O)c2c(O)cccc2Cl)cc1 920436694 DQJSHBMVCVODLC-UHFFFAOYSA-N 305.721 2.789 0 50 DFAA COc1cc(-c2nc(-c3ccncc3)no2)cc(OC)c1OC 91482 SJAXWRFKCIWXOL-UHFFFAOYSA-N 313.313 2.824 0 50 DFAA biogenic CCn1ccc(CS(=O)(=O)c2nc3cc(C)ccc3s2)n1 2325762796 FNRAWBRETDCGGT-UHFFFAOYSA-N 321.427 2.795 0 50 DFAA C[C@]1(C(=O)O)CCCN(Cc2cc3ccc(F)cc3nc2O)C1 2325773149 XDPUAYMCLKITMN-KRWDZBQOSA-N 318.348 2.766 0 50 DFAA N[C@H](C(=O)NC[C@]1(C(F)(F)F)CC2CCC1CC2)C1CC1 2325779287 VKYPRRSTAJEQPU-BDLSDHAGSA-N 304.356 2.599 0 50 DFAA CN1Cc2ccccc2[C@@H]1CN=c1ccc(-c2ccccn2)n[nH]1 2325859615 DCUXZYWBPXFCNP-SFHVURJKSA-N 317.396 2.559 0 50 DFAA O=C(Nc1ccccc1Cc1ccccn1)c1nn[nH]c1Cl 2325878070 DDTJVNCBYTVSSO-UHFFFAOYSA-N 313.748 2.696 0 50 DFAA Cc1ccc2oc(NCc3ccncc3O[C@H]3CCNC3)nc2c1 864601845 FTQGCNUVTDUSGO-AWEZNQCLSA-N 324.384 2.884 0 50 DFAA CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 30369 DTOZSQOTHFKHRY-SECBINFHSA-N 306.225 2.916 0 50 DFAA COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2)c1 358085 RQLQKROEEJIYGG-UHFFFAOYSA-N 316.382 2.831 0 50 DFAA COc1ccc(C(=O)NC(=S)NCCc2ccccc2)cc1 469129 XVOJAWQAJXFTFG-UHFFFAOYSA-N 314.410 2.542 0 50 DFAA COc1cc(C=O)ccc1OCC(=O)N[C@@H](C)c1ccccc1 2799021 UMZZIPNKGKXVDW-ZDUSSCGKSA-N 313.353 2.764 0 50 DFAA COC(=O)COc1ccc(NC(=O)c2ccc(F)cc2)cc1 2838651 ZVNDGFBUDKKVGH-UHFFFAOYSA-N 303.289 2.630 0 50 DFAA Cc1scc(C(=O)NN2CCN(C)CC2)c1-c1ccccc1 4749309 NOECIZOOHHQRLW-UHFFFAOYSA-N 315.442 2.616 0 50 DFAA C[C@@H](c1nc(C2CC2)no1)N1CCO[C@@H](c2cccc(O)c2)C1 247164139 SGWNETLXKYFYHE-XHDPSFHLSA-N 315.373 2.787 0 50 DFAA Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)no1 8265720 DHJJXRNRRAYCAP-ZDUSSCGKSA-N 313.357 2.591 0 50 DFAA CC[C@H](C)[C@@H]1NC(=O)N([C@@H](Cc2ccccc2)C2CC2)C1=O 348725196 BKRFLNUZZWMRTH-RCBQFDQVSA-N 300.402 2.974 0 50 DFAA O=C([C@H]1CC12CCNCC2)N1CC[C@@H](Cc2ccc(F)cc2)C1 137077184 IKTLPWIQYMMKTG-DOTOQJQBSA-N 316.420 2.606 0 50 DFAA COc1ccc2c(c1OC)C(=O)N1CC[C@]3(O)CCCC[C@@H]3[C@H]21 22339383 BNCNIDBYGPZZEJ-HNJNHCNJSA-N 317.385 2.526 0 50 DFAA Cn1cc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 119535090 KPDLBZWDUVDHAA-LSDHHAIUSA-N 303.793 2.536 0 50 DFAA Cc1cc(C)c(CC(=O)N2CCNC[C@H]2c2ccncc2)c(C)c1 423949228 KLPDRQPSGKTBLE-IBGZPJMESA-N 323.440 2.722 0 50 DFAA CCc1nc(CNC(=O)N2CCOC[C@H](C3CCC3)C2)cs1 366273306 ZOVXXKOHQCNJAV-CYBMUJFWSA-N 323.462 2.664 0 50 DFAA CN1CCN(C(=O)Cc2c[nH]c3ncccc23)c2ccccc21 120083946 OJMMSNHZZCLCMZ-UHFFFAOYSA-N 306.369 2.588 0 50 DFAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)CCC1OCCO1 252586698 RXUIKAGYYMDHRX-FUHWJXTLSA-N 318.461 2.592 0 50 DFAA COC[C@H]1CCCN(C(=O)c2ccc(-c3cccnc3)nc2)C1 67884202 FRIQJPNPEIXCQX-AWEZNQCLSA-N 311.385 2.642 0 50 DFAA CC1(C)C[C@H](NC2CCN(c3ccncc3)CC2)C(C)(C)O1 253426014 XKXLZOCNGMHBBN-INIZCTEOSA-N 303.450 2.986 0 50 DFAA Cc1ccc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)nn1 67774543 SATUKZFHSSCMRB-SFHVURJKSA-N 315.392 2.746 0 50 DFAA Cc1nnc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)o1 328607096 UMLXDBTXJUDLLM-AWEZNQCLSA-N 318.446 2.584 0 50 DFAA COc1cccc(CN2CCCC[C@@H]2CN2CCOCC2)c1F 65388101 WQMFDXGSCOANJR-MRXNPFEDSA-N 322.424 2.521 0 50 DFAA COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)CO)c1 363754036 ANMLWIGFPRDZND-HKUYNNGSSA-N 311.381 2.745 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C)cn3)C2)nc1 364898155 BNWDZJPIJTXAHN-OAHLLOKOSA-N 310.401 2.949 0 50 DFAA Cc1ccc(F)c(C(=O)NCc2cnn3cccnc23)c1Cl 219921130 VSNRIKFGMHCQNW-UHFFFAOYSA-N 318.739 2.760 0 50 DFAA CC(C)Cc1cc(-c2nc(CC3CCN(C)CC3)no2)no1 71278909 RLGFHLUSYMOMLP-UHFFFAOYSA-N 304.394 2.807 0 50 DFAA COc1ccc(C)c(-n2ccnc2-c2cc3n(n2)CCCNC3)c1 72476270 MIGJOTNOZDDMGW-UHFFFAOYSA-N 323.400 2.546 0 50 DFAA C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(CN(C)C)ccn1 331113850 KNCBVMWHTRNJAX-DZGCQCFKSA-N 305.422 2.677 0 50 DFAA CC(=O)Nc1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1 127993473 CYTDQSXPKOJEMX-UHFFFAOYSA-N 312.344 2.983 0 50 DFAA CCc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)O)C1 237033149 TXMSVGHBFGWNMM-CQSZACIVSA-N 319.401 2.731 0 50 DFAA NC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1 43205415 XVWFLTZRHVOLDH-GXDHUFHOSA-N 306.381 2.940 0 50 DFAA CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1N[C@H]1CC[C@H](O)CC1 239654025 BMGLUUMFBKTEGR-TUVASFSCSA-N 312.454 2.573 0 50 DFAA C[C@H](N[C@H]1CCC[C@@H]1CCO)c1nc(O)c2ccccc2n1 240900760 ITQMFQRJCYJRBB-SCRDCRAPSA-N 301.390 2.537 0 50 DFAA CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCCO2)C1 241371308 MMJFNMQUIYXZSW-XJFOESAGSA-N 300.468 2.870 0 50 DFAA CC(C)N(CC1CC1)C(=O)c1nc(N2CCCC2)ncc1Cl 611835786 BRNCLAIOOQDJFO-UHFFFAOYSA-N 322.840 2.991 0 50 DFAA CC[C@H](NC(=O)c1ccc(-c2nccn2C)cc1)c1cnn(C)c1 426575027 NHOIMGZZKPZDRV-INIZCTEOSA-N 323.400 2.702 0 50 DFAA Cc1nc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)c(C)o1 292951777 DZIHOHZWDBWSIX-HNNXBMFYSA-N 300.358 2.677 0 50 DFAA CCN(Cc1ccc(C)o1)C(=O)NCc1cn2c(n1)SCC2 426515513 KSQYLHVPAJFXOT-UHFFFAOYSA-N 320.418 2.622 0 50 DFAA CN1CSC[C@H]1C(=O)N1CCC(Cc2ccccc2F)CC1 95357200 DLGIDOKTTHPMBT-INIZCTEOSA-N 322.449 2.612 0 50 DFAA Cc1cc(NCC(C)(C)N2CCc3ccccc3C2)nc(N)n1 91817823 IUBODZYYLMRSGN-UHFFFAOYSA-N 311.433 2.616 0 50 DFAA Cc1cccc(NC(=O)NCCn2c(C)nc3ccccc32)n1 181842971 UOGJBSUHFXIHNJ-UHFFFAOYSA-N 309.373 2.870 0 50 DFAA CCc1nn(C)cc1C(=O)Nc1nc2cc(C)ccc2n1CC 182482552 XVRRCQSAPWEWEL-UHFFFAOYSA-N 311.389 2.913 0 50 DFAA COc1cc(CC(=O)N2CCC[C@@H](CC(=O)O)CC2)ccc1C 299744960 QHBTVHIUHOJVKU-CQSZACIVSA-N 319.401 2.650 0 50 DFAA O=C(c1cccc(-c2cnc(O)nc2)c1)N1C[C@H]2CC=CC[C@H]2C1 299782471 YJXKNLUQAICGQY-IYBDPMFKSA-N 321.380 2.887 0 50 DFAA CCCOc1c(Cl)cccc1NC(=O)N1CCCNCC1 299768139 JKEUAUQBMWQVNT-UHFFFAOYSA-N 311.813 2.956 0 50 DFAA CCOCCOc1ccccc1NC(=O)NCC1CCOCC1 299789904 ANMPUNYTAHSFKG-UHFFFAOYSA-N 322.405 2.650 0 50 DFAA O=C(CCCc1nc2ccccc2[nH]1)N[C@@H]1CCCc2cn[nH]c21 269044444 YZCVNMJTGDUPFP-OAHLLOKOSA-N 323.400 2.803 0 50 DFAA Cc1csc([C@H](NC(=O)N[C@@H]2CCCC[C@H]2O)C2CC2)n1 185530383 GPTYOPBQHKZFBI-JHJVBQTASA-N 309.435 2.505 0 50 DFAA COC(C)(C)C[C@H](C)N=c1cc(-c2ccccn2)nc(C)[nH]1 1875255323 CEVCBIRXVNFUDS-LBPRGKRZSA-N 300.406 2.884 0 50 DFAA CON1CCC(CC(=O)Nc2ccc3sncc3c2)CC1 1875267764 WBDJNEUMGJOQSB-UHFFFAOYSA-N 305.403 2.898 0 50 DFAA Cc1ccc(-n2ncc(C(=O)N[C@H]3CCn4ccnc43)c2C)cc1 1460289353 ZIQQQKCYSWDUKA-INIZCTEOSA-N 321.384 2.560 0 50 DFAA O=S(=O)(c1c[nH]cn1)N1CCC[C@@H]1c1ccccc1Cl 15671092 RVZOJNIHFWXNRZ-GFCCVEGCSA-N 311.794 2.589 0 50 DFAA Cc1coc(-c2ccc(C)c(S(=O)(=O)NC3(C)CC3)c2)n1 1773002606 KDKVGKINIVSEKK-UHFFFAOYSA-N 306.387 2.789 0 50 DFAA CC(C)(CNC(=O)N[C@@H]1C[C@H]1c1ccco1)C1CCOCC1 895395477 LHCLSLGVXIMRHV-ZIAGYGMSSA-N 306.406 2.888 0 50 DFAA Cc1noc(CCCc2nc(-c3ccc([C@@H](C)O)cc3)no2)n1 1775998104 RUWLVDRBOJJICY-SNVBAGLBSA-N 314.345 2.657 0 50 DFAA Cc1ccc([C@@H](C)CNS(=O)(=O)Cc2cscn2)cc1 1775990289 LBZZTRXPMJBHJJ-LBPRGKRZSA-N 310.444 2.675 0 50 DFAA COCCc1ccccc1NC(=O)c1cnn(-c2ccccc2)n1 170604636 FIWIDFINWPYKRV-UHFFFAOYSA-N 322.368 2.709 0 50 DFAA COC(=O)C1(OC(=O)c2ccc(Oc3ccccc3)o2)CC1 225855690 YZDJIDYZJCNTSR-UHFFFAOYSA-N 302.282 2.934 0 50 DFAA O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1Cc2ccc(Cl)cc21 638152957 SYNTUHBHVYJTQV-OAHLLOKOSA-N 313.788 2.659 0 50 DFAA CO[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 190703377 UCAQFDWVVBKWNY-OLZOCXBDSA-N 316.405 2.576 0 50 DFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)CC2CC(F)(F)C2)nn1 643887576 TVCNAOLODKWLSR-ZDUSSCGKSA-N 324.375 2.642 0 50 DFAA COC[C@H](CN(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)OC 585094108 BJGTVVOVIZOGFM-UHOSZYNNSA-N 320.477 2.633 0 50 DFAA CCC[C@H]1COC[C@H]2CN(Cc3ccc(C)cc3OC)CCN12 1529120575 DGJQGBUFRDJUQR-ZWKOTPCHSA-N 318.461 2.689 0 50 DFAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Cl)cs1 1615538187 WMAPCFVCVGYKRA-LLVKDONJSA-N 314.838 2.778 0 50 DFAA Cn1ncc2c(SCC34CCC(C)(CC3)OC4)ncnc21 1616035306 WVXGSKRWGGJSNB-UHFFFAOYSA-N 304.419 2.805 0 50 DFAA COC[C@@H]1CCCN(Cc2nc(Cc3ccccc3)no2)C1 12075606 XRSPANMLEZYHHD-OAHLLOKOSA-N 301.390 2.519 0 50 DFAA CCCN1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccncc1 12218970 JMPJHGAEUVTUFW-QGZVFWFLSA-N 315.461 2.643 0 50 DFAA Cc1occc1C(=O)N1CCO[C@H](COc2ccccc2)C1 12372514 SUSABOLCVXGZTA-HNNXBMFYSA-N 301.342 2.508 0 50 DFAA CCOC(=O)CNC(=O)N1CCCCC[C@@H]1c1cccs1 15867085 URXJMGQVWIQFBA-GFCCVEGCSA-N 310.419 2.938 0 50 DFAA CC(C)c1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 19537228 QNIGLMISXJYUPM-BFYDXBDKSA-N 307.434 2.659 0 50 DFAA CC(C)[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 206415734 RJXPMTIAZQDMCQ-CQSZACIVSA-N 308.765 2.520 0 50 DFAA CCOc1cc(/C=C/C(=O)O)cc(Br)c1OC 5061671 LTHUJDUHQIIGPP-SNAWJCMRSA-N 301.136 2.954 0 50 DFAA in-vitro Cc1noc([C@@H]2CC[C@H](CNCc3cncc4ccccc34)O2)n1 328619543 GAFGICOLVCXHMC-WBVHZDCISA-N 324.384 2.936 0 50 DFAA Cc1cccc(C2(C(=O)N3CC[C@H](c4nc[nH]n4)C3)CCCC2)c1 333418531 IPGQYSIMBSPEER-HNNXBMFYSA-N 324.428 2.941 0 50 DFAA Cn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@@]3(C)O)ccnc21 344257897 NWQSWMKXPBQPPH-YXJHDRRASA-N 314.433 2.878 0 50 DFAA CC[C@H](NCCc1cccnc1)[C@@H](C)NC(=O)OC(C)(C)C 1875274009 WOESVJWTYYLMOF-HIFRSBDPSA-N 307.438 2.906 0 50 DFAA COc1c(Cl)cccc1-c1noc(C[C@H]2CCCC(=O)N2)n1 904185257 UJRONLUHHAYGDI-SECBINFHSA-N 321.764 2.610 0 50 DFAA CS[C@H](C)CCC(=O)N[C@H](C)c1noc(C(F)(F)F)n1 910763281 YQKPKYFXKKORNS-RNFRBKRXSA-N 311.329 2.797 0 50 DFAA CCn1cc(CC(=O)N2CCc3ccc(C(C)C)cc3C2)nn1 824909589 HEVNDZAXTRPIOK-UHFFFAOYSA-N 312.417 2.549 0 50 DFAA Cc1cc(N2CCC(N3CCN(C)CC3)CC2)nc2ccccc12 2325760131 IECPMMFTCWJSPE-UHFFFAOYSA-N 324.472 2.759 0 50 DFAA N=c1nc(N2CCC[C@@H](c3ccc(CO)cc3)C2)cc(C2CC2)[nH]1 2325809834 RQDKMZYUCQBTSY-MRXNPFEDSA-N 324.428 2.643 0 50 DFAA O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccnn1C1CCC1 930194906 NRQXDWNHFAWJFN-HNNXBMFYSA-N 324.428 2.864 0 50 DFAA Cn1c(=O)c2c3c(sc2n2cnnc12)C[C@@H](C(C)(C)C)CC3 459093 AZZJYDCCIOUUEY-VIFPVBQESA-N 316.430 2.794 0 50 DFAA Cc1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 611448 CABXZCUHEMUFPO-UHFFFAOYSA-N 307.357 2.596 0 50 DFAA Cc1cc(C)n2nc(SCC(=O)c3cccs3)nc2n1 1063652 HYRRTPYLMXKPLJ-UHFFFAOYSA-N 304.400 2.778 0 50 DFAA COC(=O)N[C@@H](C(Cl)(Cl)Cl)P(=O)(OC)OC 2686361 YJJCWNFJTXDBRN-SCSAIBSYSA-N 314.489 2.525 0 50 DFAA O=C(c1ccc(F)c(O)c1)N1CCC(OC(F)(F)F)CC1 2356146396 DLLCQKOPFFJKCC-UHFFFAOYSA-N 307.243 2.672 0 50 DFAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 3957510 KYSKQMKJRXGEIK-JWINVHKUSA-N 303.402 2.738 0 50 DFAA C[C@H](c1cccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 113499552 FLSQLTOLOXTMHM-MRXNPFEDSA-N 323.440 2.895 0 50 DFAA Cc1ccc(C(=O)Cn2c(NCCO)nc3ccccc32)cc1 8691146 FLGCYDKLEXTTRH-UHFFFAOYSA-N 309.369 2.632 0 50 DFAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 172779810 XGSILRBHLUTENE-XPKDYRNWSA-N 318.392 2.604 0 50 DFAA COCCN(Cc1cnc(COC)nc1)Cc1sccc1C 55281621 DVEFXJOZUAOXSF-UHFFFAOYSA-N 321.446 2.642 0 50 DFAA CCCN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)CCC1=O 102617772 QGNLTNBDBMRYCC-BIVLZKPYSA-N 318.461 2.672 0 50 DFAA C[C@@H]1CC[C@@H](O)CN1C(=O)c1ccccc1NCc1ccco1 422125815 PUFRSYSPTYULLD-ZIAGYGMSSA-N 314.385 2.877 0 50 DFAA COc1ccccc1OCc1cc(C(=O)NCC(C)(C)C)n[nH]1 67772836 WPMPITGEKVQFFO-UHFFFAOYSA-N 317.389 2.773 0 50 DFAA Fc1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 20724261 ZAPQCJZHUFABHP-UHFFFAOYSA-N 311.242 2.894 0 50 DFAA COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 229431920 SUOCHBDXGDMDIT-GVDBMIGSSA-N 311.381 2.649 0 50 DFAA Fc1cccc(-c2noc([C@@]3(C(F)(F)F)CCNC3)n2)c1 111240812 ZYRPHJZNPSNMBM-GFCCVEGCSA-N 301.243 2.669 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@H](n3ccnn3)C2)c(F)c1Cl 332297668 KIIBRPVFLWMGBE-NSHDSACASA-N 322.771 2.856 0 50 DFAA CC(C)(COCc1ccccc1)C(=O)NCc1ncccc1O 252489942 KFIFBIFHZSEPDL-UHFFFAOYSA-N 314.385 2.646 0 50 DFAA O=C(O)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1 252511801 KQGBHPIZZMUHLM-YESZJQIVSA-N 309.365 2.775 0 50 DFAA C[C@@H]1CN(C(=O)NCCO[C@@H]2CCCC[C@H]2C)CC(C)(C)O1 252680161 WRJKREMMRVEJMB-RBSFLKMASA-N 312.454 2.791 0 50 DFAA CN(CCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C 39004375 IKDFCHOFEPUJLK-UHFFFAOYSA-N 308.378 2.780 0 50 DFAA CN(C)c1cc(C(=O)O[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccn1 127176447 TVUIDSIKXUTVNL-VNQPRFMTSA-N 316.401 2.652 0 50 DFAA C[C@H](OC[C@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1 253424845 LPIMSXBLZPSGHJ-NWDGAFQWSA-N 323.355 2.952 0 50 DFAA CCc1nnc(NCC[C@@H]2C(=O)Nc3ccccc32)nc1CC 253433499 XPIZWQUKYDYPCK-LBPRGKRZSA-N 311.389 2.534 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3cn(C(C)C)nn3)cc2)c1C 358156733 QBPXWMGQGWCEAI-UHFFFAOYSA-N 324.388 2.914 0 50 DFAA CC(C)[C@@](C)(CC(=O)O)NC(=O)c1cc(O)nc2ccccc12 262979373 NHDSAFVVVCKKJT-QGZVFWFLSA-N 316.357 2.560 0 50 DFAA CSc1ccccc1CN1CCN(C(=O)c2ccc[nH]2)CC1 215078574 MILSIOWQSDUFTN-UHFFFAOYSA-N 315.442 2.695 0 50 DFAA Cc1noc([C@@H]2CCN(c3ncnc4scc(C)c34)C2)n1 334027614 IKFXFZDGQKOXBV-SNVBAGLBSA-N 301.375 2.685 0 50 DFAA CC(C)CCN(C(=O)NC[C@@]1(C)CCC(=O)N1)C1CCCC1 459140412 PPRAJZCEBHEZLB-QGZVFWFLSA-N 309.454 2.655 0 50 DFAA C[C@@]1(C(=O)N2CCCN(Cc3cccs3)CC2)CCCCO1 77354762 PMFNDFLDMJYIQK-KRWDZBQOSA-N 322.474 2.742 0 50 DFAA O=C(NCCCC[C@@H]1CCCO1)c1cccc2c1OCCO2 219653114 SIYMPWYJFMLNQW-CYBMUJFWSA-N 305.374 2.537 0 50 DFAA COCCC1(C(=O)Nc2ncc(C3CCNCC3)s2)CCC1 262015613 HZIGZPKSKUAEHY-UHFFFAOYSA-N 323.462 2.755 0 50 DFAA CN(CCC(=O)O)C(=O)COc1ccc(Cl)c2ccccc12 262099258 MRABNDVLWVGQLM-UHFFFAOYSA-N 321.760 2.805 0 50 DFAA CCCc1nnc(C(=O)N(C)Cc2cccc3cnccc23)o1 71764337 FDIYBNPOEPPOHE-UHFFFAOYSA-N 310.357 2.843 0 50 DFAA NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 71375933 CUGIMZIWGABOBA-UHFFFAOYSA-N 306.724 2.759 0 50 DFAA CCc1cc(NCCSCc2[nH]cnc2C)n2nccc2n1 72456615 MBBYXLOWKAZEJH-UHFFFAOYSA-N 316.434 2.669 0 50 DFAA O=C1COc2ccc(-c3csc([C@@H]4CCCO4)n3)cc2N1 178541117 CDILFOIKHORAKF-ZDUSSCGKSA-N 302.355 2.993 0 50 DFAA CC(=O)Nc1nc(CN[C@@H](CCO)C2CCCCC2)cs1 181497115 MRQBHUNHIDUVSX-AWEZNQCLSA-N 311.451 2.522 0 50 DFAA Cc1cc(C)c2[nH]c(C(=O)NC[C@@H](O)c3ccccn3)c(C)c2c1 91594583 LLXYKONXBLETOF-MRXNPFEDSA-N 323.396 2.952 0 50 DFAA CC(C)(O)CCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 96140428 NLDALYIKFYAQRJ-AWEZNQCLSA-N 302.374 2.944 0 50 DFAA CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(N)=O)cc2)CC1 95670862 PMEPMWIIELZLHZ-UHFFFAOYSA-N 320.389 2.564 0 50 DFAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H]2C(F)(F)F)[nH]n1 91818554 IHPXLQHLNCLOFB-LBPRGKRZSA-N 312.295 2.582 0 50 DFAA C[C@H](Cc1cncs1)NCc1cc(=O)c2cc(F)ccc2[nH]1 91695650 RBZCNSQNMUFZLJ-SNVBAGLBSA-N 317.389 2.845 0 50 DFAA CNC[C@H]1CCN(C(=O)CCc2cccc(Cl)c2Cl)C1 299739916 SVBBDMLHANWYHY-LLVKDONJSA-N 315.244 2.994 0 50 DFAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC(C(=O)O)CC1 299745726 SDNLAHSRAFIPPR-YUELXQCFSA-N 311.422 2.684 0 50 DFAA CC(C)(C)c1nc(N2CC[C@@H](n3cnc4c3CCCC4)C2)no1 299749404 KEYMMDHWKXCYAL-GFCCVEGCSA-N 315.421 2.894 0 50 DFAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C[C@@H]1CCCN1C 244882845 YAGPBORKSZQCHB-ZDUSSCGKSA-N 306.841 2.785 0 50 DFAA CCOc1cc(CN2CCN3CCC[C@@H]3[C@H]2C)ccc1OC 244811501 SEAXPLMJQOALBN-GDBMZVCRSA-N 304.434 2.762 0 50 DFAA O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)[C@H]1C[C@H]2C=C[C@H]1C2 628776241 UJZUPPHVHCKNGL-MZGVZZPPSA-N 311.360 2.967 0 50 DFAA CSCC[C@H](N)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 269074527 WDJAKARMFVLZJG-IMJJTQAJSA-N 306.475 2.547 0 50 DFAA CN(c1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccccc1 263639747 HDELRTDSOCFEEA-UHFFFAOYSA-N 316.304 2.926 0 50 DFAA Cn1cc(Cl)c(C(=O)NCC2(COc3ccccc3)CC2)n1 534632376 UPZFDPKQRQLUFC-UHFFFAOYSA-N 319.792 2.663 0 50 DFAA CC(C)Cc1cc(C(=O)N[C@H](C)C2=CCCCC2)nc(O)n1 821446099 WMJNPLGQHXPWQZ-GFCCVEGCSA-N 303.406 2.999 0 50 DFAA O=C(C[C@@H]1CCOC1)NCCC1CCN(C2CCCC2)CC1 584903175 WXENHGHYVWAMCW-INIZCTEOSA-N 308.466 2.574 0 50 DFAA CC(C)C[N@]1C[C@@H]1COc1ccc(C(=O)N2CCCC2)cc1 1875385421 SOTYZSYGPYPGEB-OXQOHEQNSA-N 302.418 2.642 0 50 DFAA O=C(c1cc2occc2s1)N1CCC2(CC1)C[C@@H](O)CCO2 886113465 SAOFLJNMVJVEJH-NSHDSACASA-N 321.398 2.640 0 50 DFAA CC1(c2nc(-c3cc(Br)cn4ncnc34)no2)CC1 1775999156 ORYRZBDHNPBKTB-UHFFFAOYSA-N 320.150 2.593 0 50 DFAA O=C(Nc1n[nH]c2cc(F)ccc12)c1nn[nH]c1-c1ccccc1 170619326 NOBOEEAPCZZKAW-UHFFFAOYSA-N 322.303 2.739 0 50 DFAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)[C@H](O)C2CCCCC2)C1 188793360 PJCYAUDMOGSQPR-XOKHGSTOSA-N 302.418 2.932 0 50 DFAA CC[C@@]1(CO)CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 189624063 PMFRBJNZGAWQJJ-INIZCTEOSA-N 320.824 2.658 0 50 DFAA O=C(NC[C@H]1CCc2ccccc21)c1cccc2c1OCCO2 110371532 YAIIRGVRCBFBHI-CQSZACIVSA-N 309.365 2.918 0 50 DFAA CC(=O)Nc1ccc(CNC(=O)[C@H]2CCCc3cccnc32)cc1 193936316 DBUUCVGJFHWIDU-KRWDZBQOSA-N 323.396 2.776 0 50 DFAA Cc1ccc(N2CCC(NCCN3CCCCC3=O)CC2)cc1 1506422324 OBTKNSCTADWUQO-UHFFFAOYSA-N 315.461 2.566 0 50 DFAA CC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CCCCC1 1529195910 QDCYDNLJZAALRO-HZPDHXFCSA-N 302.418 2.726 0 50 DFAA CCNC(=O)c1ccnc(NC[C@@H](c2cccs2)N(C)C)c1 1529192192 RAZUQAPXWLBXAC-ZDUSSCGKSA-N 318.446 2.608 0 50 DFAA CC(C)[C@H]1CN(C(=O)Cn2cccn2)C[C@@H](c2ccccc2)O1 1529133574 PQLUCARICWQJRJ-SJORKVTESA-N 313.401 2.508 0 50 DFAA Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615555540 UWDYOJXNSSXOIO-QZTJIDSGSA-N 307.397 2.622 0 50 DFAA O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccnc(-n2cccn2)c1 1615617976 AIAYZGPANKTGMM-LBPRGKRZSA-N 320.343 2.823 0 50 DFAA CC[C@H]1CCCCN1c1ncnc2c1c(Br)nn2C 264940526 SWXNBHJFHXSKEB-VIFPVBQESA-N 324.226 2.895 0 50 DFAA CC(C)Cc1ccc(CN2CCC[C@H](S(C)(=O)=O)CC2)cn1 1647476010 NYVXKYIVOPIJFJ-KRWDZBQOSA-N 324.490 2.679 0 50 DFAA O=C(NCc1cccc(F)c1)[C@H]1CCC(=O)N(C2CCCC2)C1 11718188 DVXVMFBJUWEVFW-AWEZNQCLSA-N 318.392 2.623 0 50 DFAA C[C@]1(CCC(=O)NCc2cc3ccccc3s2)CCC(=O)N1 14991284 YSBCMABMSUPCDT-KRWDZBQOSA-N 316.426 2.966 0 50 DFAA CCOc1ccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)cc1 16247780 JVHKXRHUJNQAKG-IYBDPMFKSA-N 323.433 2.590 0 50 DFAA Cc1n[nH]cc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19111758 VYDNPHGQPTZQDI-CYBMUJFWSA-N 317.364 2.788 0 50 DFAA COc1ccc(OC2CCN(CCn3ccc(C)n3)CC2)cc1 19795148 KIMIAMKUTODGNI-UHFFFAOYSA-N 315.417 2.744 0 50 DFAA CCOC(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C 12082644 XBOGULHTLRROCI-JTQLQIEISA-N 321.402 2.767 0 50 DFAA CCOC(=O)[C@H](CC)Sc1nnc2n(C)c3ccccc3n12 225442779 ICFRFQFGPPHOBX-LBPRGKRZSA-N 318.402 2.655 0 50 DFAA CC(C)Oc1cccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)n1 329121702 WHOGIFALXUDXIW-CQSZACIVSA-N 300.362 2.569 0 50 DFAA O=C(NCC1CC(c2ccccc2)C1)N1[C@H]2CC[C@H]1CC(O)C2 252481760 CRJRBKHLMFLMFJ-KMZOKZLKSA-N 314.429 2.878 0 50 DFAA CC(C)OC[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc32)CCO1 368832473 FAHPHYZFSBUSNN-DOTOQJQBSA-N 318.417 2.509 0 50 DFAA Cc1ccccc1C(C)(C)C(=O)N[C@@H]1CCC(=O)NC12CCC2 374638481 FMMDFXKGTVRYAT-OAHLLOKOSA-N 314.429 2.590 0 50 DFAA C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CC[C@H]1C(=O)O 263142805 YMGSQEJNZCKBNO-JKIFEVAISA-N 315.413 2.751 0 50 DFAA O=C(N[C@H]1CCc2ncsc2C1)[C@@H]1CCc2cccc(O)c21 827764455 WBSFKIVDJQEKDR-NWDGAFQWSA-N 314.410 2.552 0 50 DFAA CCOc1c(Cl)cc(/C=C2/NC(=O)NC2=O)cc1Cl 73885 ABZMBLPNZLSNGB-WEVVVXLNSA-N 301.129 2.572 0 50 DFAA CC(C)c1nc(CN(C)c2ncc3c(ncn3C)n2)cs1 2100482224 JEICIJQAJUNPIZ-UHFFFAOYSA-N 302.407 2.580 0 50 DFAA C[C@H]1CN(C2CC2)CCN1C(=O)c1c[nH]nc1C1CCCCC1 2100555267 OIIPJBHGVRJMKD-ZDUSSCGKSA-N 316.449 2.766 0 50 DFAA Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(N(C)C)cc3)C2=O)cc1 4317747 YJKMGOAOAGGMKP-QGZVFWFLSA-N 323.396 2.805 0 50 DFAA C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1ccc(C(=O)O)cn1 2325746278 IAAUMXAWUUOSOH-ZWNOBZJWSA-N 316.382 2.860 0 50 DFAA CCc1cnc([C@H](C)NC(=O)[C@@H]2CCCc3c2ncn3C)s1 2325779639 UURHQRVVFJGYKE-CMPLNLGQSA-N 318.446 2.736 0 50 DFAA OC[C@@]1(Cc2ccccc2)CCCN(c2ccnc3[nH]ncc23)C1 2325802721 XLZVJOMFSVJBAG-LJQANCHMSA-N 322.412 2.780 0 50 DFAA Cc1cc(Cc2noc([C@]3(C)CC(C(C)(C)C)=NO3)n2)n(C)n1 2325809718 BTSHAEWUMVRMNN-INIZCTEOSA-N 317.393 2.740 0 50 DFAA Cc1cc[nH]c(=N)c1NC(=O)[C@H]1CCOc2ccc(Cl)cc21 2325821092 BILHTENSLKPFTQ-NSHDSACASA-N 317.776 2.961 0 50 DFAA C[C@@H](CC(=O)Nc1n[nH]c2c1COCC2)c1cccc(F)c1 899257050 SVTAUQVGYZQYHJ-JTQLQIEISA-N 303.337 2.754 0 50 DFAA COC(=O)c1ccc(NC(=S)NC(=O)CC(C)(C)C)cc1 150272 BSVGNZZFKOJPTR-UHFFFAOYSA-N 308.403 2.722 0 50 DFAA COc1ccc([C@H]2OC(=O)C(C)(C)C(=O)C2(C)C)cc1OC 193060 DJCAFCPOYYOQMP-CYBMUJFWSA-N 306.358 2.923 0 50 DFAA CCOC(=O)c1c(NC(=O)C(C)C)sc(C(=O)OC)c1C 4841844 FPRVTWLNTBFPGA-UHFFFAOYSA-N 313.375 2.614 0 50 DFAA O=C(NCC[C@H]1CCc2ccccc21)N1CCC2(CCN2)CC1 422617663 KIMYRGNBZISNKI-MRXNPFEDSA-N 313.445 2.644 0 50 DFAA CCn1ccc(CN(C)C(=O)c2cc(-c3ccccc3)on2)n1 2794558 TUWXHWIWMKKTSZ-UHFFFAOYSA-N 310.357 2.830 0 50 DFAA CN(CCc1ccccc1)[C@H]1CCCN(CC(C)(C)CO)C1 20999684 CBEXKQVLOJJGLK-SFHVURJKSA-N 304.478 2.644 0 50 DFAA Cc1cnc2c(c1)N(C(=O)c1cc(O)nc(C(C)C)c1)CCO2 121590655 VWKOAVVJQFFVGG-UHFFFAOYSA-N 313.357 2.653 0 50 DFAA Cc1ccnc(NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328640943 XQYRFWNLOYNOKA-JTQLQIEISA-N 311.311 2.675 0 50 DFAA C/C=C(\C)C(=O)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 12126881 WFRRWUGUWVQNQZ-COHQTCMYSA-N 309.369 2.530 0 50 DFAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(O)c2)N1 323322 KLUQZQYGFCCIQN-HZPDHXFCSA-N 308.337 2.562 0 50 DFAA biogenic CCc1nn(C)c(Cl)c1CN1CC[C@H](n2nc(C)cc2C)C1 214986477 QOBYCBKSOTZNST-ZDUSSCGKSA-N 321.856 2.896 0 50 DFAA C[C@@]1(O)N(CCc2ccccc2)C(=O)O[C@]1(C)c1cccnc1 4709121 ACFVCYZIRGWJBP-MSOLQXFVSA-N 312.369 2.700 0 50 DFAA CN(CCC(=O)OC(C)(C)C)C(=O)c1ccc2[nH]ccc2c1 152419712 FDVDSOSYAAIQQJ-UHFFFAOYSA-N 302.374 2.972 0 50 DFAA O=C(Cn1cnccc1=O)N(C1CCCCC1)C1CCCCC1 330208963 HDOQXXRXCMDVOO-UHFFFAOYSA-N 317.433 2.737 0 50 DFAA C[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)c2ccccc2N(C)C1=O 366679081 MFXDOAPKWHGLHI-WTNCMQEWSA-N 309.369 2.674 0 50 DFAA COc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c(C)c1 219939799 OUHZCWVFWMRWDL-CYBMUJFWSA-N 305.374 2.863 0 50 DFAA COC(=O)c1ccc(CN2CCC3(CCCN3C)CC2)cc1 376161524 IRIXWEJPKSXXFP-UHFFFAOYSA-N 302.418 2.533 0 50 DFAA CC(C)C[C@H](O)CNC(=O)COc1ccc2ccccc2c1 158988097 WORUEGFINJGBEF-INIZCTEOSA-N 301.386 2.742 0 50 DFAA COc1ccc(CC(=O)N2C[C@@H]3CCC[C@H](C3)C2)c(OC)c1 220736134 GJKKQNAIUCRZRC-ZIAGYGMSSA-N 303.402 2.895 0 50 DFAA O[C@@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccccc1F 222199400 FPSLOCIIMRDWCA-YOEHRIQHSA-N 315.392 2.688 0 50 DFAA CCCN(CC)c1nnc(-c2ccccn2)n1C[C@H]1CCCO1 291089134 KORMOZXHNJGZNW-CQSZACIVSA-N 315.421 2.755 0 50 DFAA CC(C)(CNC(=O)c1csc(CN)n1)Cc1ccccc1 178581250 XDKHVMKWFPIWGN-UHFFFAOYSA-N 303.431 2.601 0 50 DFAA CCCCC(=O)NCc1cc2n(n1)CCCN(CC(C)C)C2 82087190 KNZHLZZDKJJRBC-UHFFFAOYSA-N 306.454 2.551 0 50 DFAA CCc1cnc(N2CC[C@]3(CCCN(CC4CC4)C3)C2)nc1 426574796 DUGRLZASUXLBRS-SFHVURJKSA-N 300.450 2.741 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)C[C@H]2CCCCN2C)C1 426429766 HJZKHGNANPAAJP-MRXNPFEDSA-N 316.445 2.767 0 50 DFAA CCSCCN1CCC2(CC1)Nc1ccccc1NC2=O 82099913 BGWUOKWJNNOZGT-UHFFFAOYSA-N 305.447 2.638 0 50 DFAA CNCc1nnc(SCc2ccc(C(F)(F)F)cc2)n1C 426361452 XDUAGWUKNXISRX-UHFFFAOYSA-N 316.352 2.846 0 50 DFAA COc1ccc(-c2ccc(C(=O)N3CC[C@H](N)C3)c(F)c2)cc1 237415323 DSNAOFVMMNKJDL-AWEZNQCLSA-N 314.360 2.675 0 50 DFAA c1coc(CN2CCC(c3nc([C@@H]4CCOC4)no3)CC2)c1 96166698 YITBEKAIJKBRSM-CYBMUJFWSA-N 303.362 2.546 0 50 DFAA O=C(NCc1cnn2cccnc12)c1cc2c(s1)CCCC2 91350638 VMXDVBCZPNIAHQ-UHFFFAOYSA-N 312.398 2.600 0 50 DFAA C[C@@H]1CN(C2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)C[C@@H](C)O1 238997257 ACUAONISRNKJAD-DFBDCSAJSA-N 304.478 2.772 0 50 DFAA Cc1nc2ccccc2nc1CN1CCO[C@@H](c2cccnc2)C1 97574905 NBGHDDPHGOREON-LJQANCHMSA-N 320.396 2.907 0 50 DFAA CCCOc1ccccc1CCNC(=O)C1(C)CCNCC1 96131046 OKSGDUXXHMZDGP-UHFFFAOYSA-N 304.434 2.524 0 50 DFAA O=C(Cc1ccncc1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 182085067 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O=C1CCCC[C@@H](C(=O)Nc2ccccc2OC(F)(F)F)N1 193742249 AKYFYZXPXIBDPM-JTQLQIEISA-N 316.279 2.583 0 50 DFAA CN(Cc1nc2ccccc2n1C)[C@@H](C(=O)O)c1ccsc1 652413291 MLMQUPJOFFOKML-OAHLLOKOSA-N 315.398 2.893 0 50 DFAA Cn1nc2c(c1NC(=O)c1ccc3c(c1)CCCO3)CSC2 1529155466 TWQGNVFWRSHJHZ-UHFFFAOYSA-N 315.398 2.744 0 50 DFAA Cc1cc([C@H](C)NS(=O)(=O)Cc2ccon2)c(C)s1 266186189 HEIDDROCKJZLFL-VIFPVBQESA-N 300.405 2.534 0 50 DFAA O=C(Nc1nnc(C2CC2)s1)c1cc(=O)[nH]c2ccccc12 5192936 ZGHLOIHLDQIIJC-UHFFFAOYSA-N 312.354 2.509 0 50 DFAA COc1ccccc1-c1nn2c(-c3cc(C)n[nH]3)nnc2s1 5458548 BFMGWSQPFCVAQE-UHFFFAOYSA-N 312.358 2.560 0 50 DFAA OC[C@@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 12574754 PBANFHAPZUISDQ-ZDUSSCGKSA-N 307.781 2.737 0 50 DFAA Cc1ccc2nc(C(=O)N3Cc4cnc(C)cc4C3)c(F)n2c1 1857666870 RSMQUTFVEQAHES-UHFFFAOYSA-N 310.332 2.641 0 50 DFAA CC(C)Nc1ncc(-c2nccn2-c2cnn(C(C)C)c2)cn1 1857687788 FEQYIIVQGNYXBQ-UHFFFAOYSA-N 311.393 2.927 0 50 DFAA O=C(Nc1ncc(F)cc1F)c1cccc(N2CCCC2=O)c1 1875249630 KZQFADXYMHHZRS-UHFFFAOYSA-N 317.295 2.739 0 50 DFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(Cc3c(C)noc3C)C[C@H]12 1875250878 NWKBWEYHDJOFST-GQGQLFGLSA-N 318.417 2.725 0 50 DFAA Cc1c(CN(C)C(=O)[C@@H]2CCc3cc(F)ccc32)cnn1C 614216278 XGXCSPDYSARRFI-MRXNPFEDSA-N 301.365 2.556 0 50 DFAA c1ccc2c(c1)OC[C@@H](c1noc(C[C@H]3C[C@H]4CC[C@H]3O4)n1)O2 333846454 OKSUNOYAFJLHKG-BLTAXRJOSA-N 314.341 2.692 0 50 DFAA c1ccc(CCN2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)cc1 253595638 GUNUFBLBKSWIBH-ROUUACIJSA-N 308.429 2.620 0 50 DFAA O=C(c1c[nH]cc1-c1ccccc1)N1CCC(F)(F)[C@@H](CO)C1 360863403 APPWDPILKDYBJF-CYBMUJFWSA-N 320.339 2.771 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3CCOCC[C@@H]3C)n[nH]2)cc1C 370408579 WREILPUCARILCV-AWEZNQCLSA-N 313.401 2.945 0 50 DFAA C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1nccnc1N 265199886 DHCWHNQPCZRYGH-VIFPVBQESA-N 324.306 2.911 0 50 DFAA c1ccc(CN2CCN(c3ncnc4ccccc34)CC2)cc1 132613 GWKUFDSPVUIGEP-UHFFFAOYSA-N 304.397 2.952 0 50 DFAA CC(=O)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704343702 YABIDAFINFFRRE-LJQANCHMSA-N 307.397 2.970 0 50 DFAA COc1cc(OC)c2ncnc(NCc3nocc3C)c2c1 1262705689 PQUSXTQNVAQIRS-UHFFFAOYSA-N 300.318 2.556 0 50 DFAA COCCC1(C)CN(C(=O)c2c(C)c(O)nc3ccccc23)C1 936019696 BOUBUFOSXLATAV-UHFFFAOYSA-N 314.385 2.747 0 50 DFAA C[C@@H]1C[C@H](N)CCN1C(=O)COc1cc(Cl)ccc1Cl 237392830 BMTMMCZWNADLGK-MWLCHTKSSA-N 317.216 2.710 0 50 DFAA CCCN(CCC)C(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 202704 PCSKXAUYICVDHF-SUMWQHHRSA-N 311.422 2.526 0 50 DFAA biogenic COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)O 16623347 ALMSILBDSZTUJX-UHFFFAOYSA-N 321.354 2.503 0 50 DFAA Cn1cncc1CCCN1CCc2nc(-c3ccccc3)[nH]c2C1 2325804004 OKCZECJNXZJXEG-UHFFFAOYSA-N 321.428 2.801 0 50 DFAA O=C([C@@H]1CCCC(F)(F)C1)N1CC[C@@H](c2cn(C3CC3)nn2)C1 2325827085 UUMOWWYYKXVDSW-VXGBXAGGSA-N 324.375 2.754 0 50 DFAA Cc1cc(N2CCC[C@H]2COc2ccccc2)n2nc(C)nc2n1 882411585 JIVJCEVUNUIRIM-HNNXBMFYSA-N 323.400 2.789 0 50 DFAA Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 124052 BDSOKWRTLVKFSL-QGZVFWFLSA-N 322.364 2.902 0 50 DFAA COc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1OC 226074 GPDCNLWLOFAXDG-UHFFFAOYSA-N 311.337 2.543 0 50 DFAA COc1cccc2cc(C(=O)Nc3ccc(O)cc3)c(=O)oc12 308802 AIIFBMAPBCJIJF-UHFFFAOYSA-N 311.293 2.760 0 50 DFAA CC(=O)Oc1cc(OC(C)=O)c(C(C)(C)C)cc1OC(C)=O 400277 VOXVTHJXJUSRIK-UHFFFAOYSA-N 308.330 2.760 0 50 DFAA CCOC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 615345 NGHOBVPOEZPZAK-UHFFFAOYSA-N 311.769 2.646 0 50 DFAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)OC)ccc12 2810492 PFJUWTMUQVMBKG-UHFFFAOYSA-N 304.342 2.996 0 50 DFAA COCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 6726072 ADSZBCHSPYTSCW-UHFFFAOYSA-N 318.609 2.572 0 50 DFAA Cc1ccnc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)c1 6703996 STVBQMJTGYYBHY-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA CCc1cc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)no1 8592858 WQYUWIANSXGDDU-UHFFFAOYSA-N 314.320 2.873 0 50 DFAA CCCN(Cc1ccc(SC)cc1)C(=O)CCn1cncn1 55384009 LQKWDLFRWDSZRE-UHFFFAOYSA-N 318.446 2.829 0 50 DFAA Cc1ccc(N2CCN(CC(=O)NC3CCCC3)C[C@@H]2C)cc1 55060426 AQCMBKIZSDPFPS-INIZCTEOSA-N 315.461 2.564 0 50 DFAA COc1ccc(F)c(-c2nc(CN3CCNC[C@H]3C)c(C)o2)c1 67964865 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CCCC[C@H](C)C(=O)N1CCC(CCN2CCOCC2)CC1 374319685 AQOJWIPVTXKDRZ-INIZCTEOSA-N 310.482 2.774 0 50 DFAA Cc1cncc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 176727212 FFPHHKLAFGKYEX-WMZOPIPTSA-N 323.396 2.938 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)[C@H]2CCO[C@H](C)C2)cc1)C(=O)O 262849038 TUQDNKCIOJTZCE-SCRDCRAPSA-N 305.374 2.703 0 50 DFAA Cc1nc(CC(=O)N2CCC[C@H]2c2nc(C(C)C)no2)cs1 72421395 MZCCBDAJPCYMGE-LBPRGKRZSA-N 320.418 2.864 0 50 DFAA CN(CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)c1ccco1 241277625 LHTYHTYJHHHHBJ-QLFBSQMISA-N 318.417 2.827 0 50 DFAA O=C(O)[C@H]1CN(C(=O)[C@H]2CCOc3ccccc32)c2ccccc21 177473602 TZPCXXRNCRLHER-GJZGRUSLSA-N 323.348 2.768 0 50 DFAA CC(C)Nc1nc(C(=O)N=c2[nH]c3ccccc3[nH]2)cs1 40266478 NTYPJQHJCUCXQJ-UHFFFAOYSA-N 301.375 2.514 0 50 DFAA Cc1cc(C(=O)N(C)Cc2nc(-c3ccccn3)no2)c(C)o1 82122002 ZZMUBHPZLQYTBB-UHFFFAOYSA-N 312.329 2.614 0 50 DFAA COc1ccc(F)cc1[C@H](C)NC(=O)c1ncn(C(C)(C)C)n1 292718251 TYICCYBWRMYVAX-JTQLQIEISA-N 320.368 2.672 0 50 DFAA NCC[C@@H]1CCCN(c2ncnc3c2Cc2ccccc2OC3)C1 96136661 GKAWAJAJHJYSNP-AWEZNQCLSA-N 324.428 2.525 0 50 DFAA CC[C@@H](C(=O)NCc1c[nH]nc1-c1cccs1)n1cccn1 92077199 IVVSNQVKYIUVQO-LBPRGKRZSA-N 315.402 2.602 0 50 DFAA Cc1ccccc1N1CCCN(c2nc(CO)cs2)CC1 96152697 YMOBHQPHYWSSSS-UHFFFAOYSA-N 303.431 2.661 0 50 DFAA Cc1cc(C)c(C(=O)N[C@@H]2CCCc3sc(C)nc32)c(=O)[nH]1 92106804 BVRHGSKVOXTRBD-LLVKDONJSA-N 317.414 2.564 0 50 DFAA Cc1cccc2oc(CNC(=O)CC[C@@H]3CCCN(C)C3)nc12 91593890 YAASWXKXIIAXBC-AWEZNQCLSA-N 315.417 2.874 0 50 DFAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C(C)C)cc1)CC2 91830503 YGXNVXUMUDOLIV-SJORKVTESA-N 317.429 2.812 0 50 DFAA CCc1noc([C@@H](C)N2CCC(Oc3ccc(C)cn3)CC2)n1 182843640 RRBDLXISGQSUKO-CYBMUJFWSA-N 316.405 2.940 0 50 DFAA O=C1CN[C@H](Cc2ccccc2F)CN1Cc1ccccc1F 252500815 TVTCRSIBPJBKEQ-OAHLLOKOSA-N 316.351 2.508 0 50 DFAA Cc1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)nc1 184289421 DQQGOFQFGHPGBN-UHFFFAOYSA-N 302.422 2.872 0 50 DFAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cc1cccnc1 264729705 WNIVDRNLQNCEGS-UHFFFAOYSA-N 323.396 2.807 0 50 DFAA Cc1cc(C)cc([C@H](O)Cn2cnc(C(C)(C)C)cc2=O)c1 952846942 JAXWYMMWKODQQJ-OAHLLOKOSA-N 300.402 2.891 0 50 DFAA CC[C@H]1CCCN1C(=O)c1cc2cc(OC)ccc2[nH]c1=O 1875253894 AHFXCKZUAKGMOA-LBPRGKRZSA-N 300.358 2.551 0 50 DFAA C[C@H]1CCCC[C@@H]1N1CCC2(CC1)NC(c1ccco1)=NO2 1875392330 WAMTYKPWOMWNOE-KBPBESRZSA-N 303.406 2.932 0 50 DFAA Cc1occc1CN1CC[C@@H](Oc2ccnc(CN(C)C)c2)C1 886077831 JOYVGMKXXQKZEX-GOSISDBHSA-N 315.417 2.698 0 50 DFAA CCCn1cc(/C=C/c2nc3cc(C(=O)OC)[nH]c3s2)nn1 1776003603 AHWIDATVXMVQBS-SNAWJCMRSA-N 317.374 2.583 0 50 DFAA Cn1c([C@@H]2CCCN2c2ncc(F)cn2)nc2c1CCCC2 275621696 MJIPWNBPOFURGA-AWEZNQCLSA-N 301.369 2.570 0 50 DFAA Cc1ccccc1[C@@H](C)NC(=O)c1ccn([C@H]2CCCNC2)n1 275601202 KWYJSUIPHZFFQE-CABCVRRESA-N 312.417 2.607 0 50 DFAA CC(C)Oc1cc(CNc2nc3ccccc3c(=O)[nH]2)ccn1 170087834 SILAAATYVMAOFT-UHFFFAOYSA-N 310.357 2.717 0 50 DFAA O=C(c1cc2nccnc2cc1F)N1CCO[C@H]2CCCC[C@H]21 279395171 URJMODGDIZOZGW-CVEARBPZSA-N 315.348 2.553 0 50 DFAA Cn1cncc1CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 188377020 ATIIDBVVPUEYQR-UHFFFAOYSA-N 317.437 2.850 0 50 DFAA Cn1ncc2c(NCc3ccc(Cn4cccn4)cc3)ccnc21 408514921 APYFOUQXRJNNRA-UHFFFAOYSA-N 318.384 2.825 0 50 DFAA CCc1nsc(N[C@H](c2ccccc2)c2nnc(C)n2C)n1 225543216 CWHTXOJVWSQZEZ-CYBMUJFWSA-N 314.418 2.739 0 50 DFAA Cc1cnn([C@H]2CCN(C(=O)N[C@@H](C)c3cnccc3C)C2)c1 642724461 CPQIMLBALGPRHM-GJZGRUSLSA-N 313.405 2.613 0 50 DFAA CCC1(NCc2sncc2Br)CCOCC1 711931143 OUGLNXGYVGDZPK-UHFFFAOYSA-N 305.241 2.954 0 50 DFAA Cc1ccnc(CN2CCC[C@H](Oc3ncccc3F)C2)c1 683788703 QIYZRRHYXVJCII-HNNXBMFYSA-N 301.365 2.968 0 50 DFAA CSC[C@H](NC(=O)c1ccc(-c2ccc(C)o2)cc1)C(=O)O 1506399422 FZLKVYHVLSKDLD-ZDUSSCGKSA-N 319.382 2.801 0 50 DFAA C[C@H](O)CONC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 1615586564 OPTHOHULKTUBEU-KBPBESRZSA-N 315.369 2.869 0 50 DFAA CCc1ccccc1NC(=O)CNC(=O)c1ccc(OC)cc1 5049858 SRYWGOAZDWJZIC-UHFFFAOYSA-N 312.369 2.626 0 50 DFAA CC(C)(C)CN1C[C@H](NC(=O)CSc2ccccc2)CC1=O 12314090 GOTKNHGUECQWDZ-CYBMUJFWSA-N 320.458 2.542 0 50 DFAA COc1ccc(N[C@@H]2CCCN(C(=O)c3cccnc3)C2)cc1 12434915 IUUGNMKLPNBGFF-MRXNPFEDSA-N 311.385 2.807 0 50 DFAA Nc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccccc1 16650969 JRQHWRDCFRJDEW-UHFFFAOYSA-N 313.748 2.755 0 50 DFAA O=C(c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 18220036 HJVFVAZFMFYABI-UHFFFAOYSA-N 301.777 2.697 0 50 DFAA C[C@@H]1CN(C(=O)/C=C/c2ccccc2Br)C[C@@H](C)N1 153749253 VPNGQDZMQNYKEJ-IDDPWSFUSA-N 323.234 2.671 0 50 DFAA COc1cc(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)ccc1C 630279654 KJLIZLDMPZULHM-QLFBSQMISA-N 317.385 2.719 0 50 DFAA COc1c(C)cnc(Cn2cncc(-c3ccccc3)c2=O)c1C 253396525 BGUZZWCSRBZZNP-UHFFFAOYSA-N 321.380 2.979 0 50 DFAA COc1ccc(CN2CCNC(=O)c3ccccc32)cc1F 358737337 OMQDIVAKTUQOPV-UHFFFAOYSA-N 300.333 2.584 0 50 DFAA CCC(CC)C(=O)N1CCN(C(=O)c2cc(C)ccc2F)CC1 589097309 HEFVOKVPSFPXHF-UHFFFAOYSA-N 320.408 2.855 0 50 DFAA CN(C)c1cccc(C(=O)N2C[C@H](CC(=O)O)c3ccccc32)c1 391833736 YVOQXKLLMARMAO-AWEZNQCLSA-N 324.380 2.971 0 50 DFAA Cc1cccc([C@H](O)CN[C@@H]2CCO[C@@H](c3cccnc3)C2)c1 905280951 RODPWYWKHLTJEG-GUDVDZBRSA-N 312.413 2.933 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC[C@H]2CCOC2)C12CCC2 405204146 CIUQCHWFGFHNPH-SOUVJXGZSA-N 324.465 2.839 0 50 DFAA COC(=O)[C@H]1CC12CCN(C(=O)c1ccc(CSC)o1)CC2 2100547592 LRVSFWFJJQLTML-GFCCVEGCSA-N 323.414 2.558 0 50 DFAA C[C@H]1OC(=O)N[C@H]1C(=O)NCCc1cccc(-c2ccccc2)c1 841405400 SGGWQKIOWJCASB-CXAGYDPISA-N 324.380 2.509 0 50 DFAA Cc1nn(C)c(CNCCc2ccc3n[nH]cc3c2)c1Cl 2325763158 ZWVAENUTDONEEE-UHFFFAOYSA-N 303.797 2.591 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2ccc3c(c2)COC3)cc1 2325791972 NSTGSIQVINHDES-CYBMUJFWSA-N 309.365 2.729 0 50 DFAA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2F)NC(=O)N1 74161 IYHDAOBCZVTOLI-ZDUSSCGKSA-N 306.337 2.795 0 50 DFAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1nccs1 77170 JNIOENIBPKKTCI-LBPRGKRZSA-N 304.371 2.504 0 50 DFAA COc1ccccc1N1C(=O)c2ccc(OC)c(OC)c2C1=O 324907 YBBXANLYFBNVNL-UHFFFAOYSA-N 313.309 2.513 0 50 DFAA O=C(O)c1ccccc1OCCOc1ccccc1C(=O)O 2811404 XAIPIJFEACIWEQ-UHFFFAOYSA-N 302.282 2.541 0 50 DFAA CN(C)c1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1 4414513 OKTCXFOTQZKSFJ-UHFFFAOYSA-N 322.397 2.981 0 50 DFAA Cc1cc(C(=O)Nc2ccccc2)ccc1NS(C)(=O)=O 10314431 JWTNHDVUDWBSJC-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA Cc1nc([C@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)n[nH]1 216285778 PTELXGSHGOAYQW-MRXNPFEDSA-N 308.389 2.636 0 50 DFAA CCCC(=O)NC[C@@H]1CCN(Cc2c(F)ccc(F)c2F)C1 67851766 XXVYXPBZTDVSPQ-NSHDSACASA-N 314.351 2.842 0 50 DFAA Cc1cnccc1NC(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 119797569 CBIRGDOBLKTPEX-ZDUSSCGKSA-N 319.405 2.976 0 50 DFAA Cc1ccccc1[C@@H]1CCN(CCN2Cc3ncccc3C2=O)C1 65532139 GDYPQDJTRDREHF-MRXNPFEDSA-N 321.424 2.835 0 50 DFAA CCc1c(C(=O)N2CCC[C@H](CNC(C)=O)C2)csc1C 67447371 OONMMFKNSIFCBY-CYBMUJFWSA-N 308.447 2.607 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1ccc(Br)cc1C 122597756 VNMRLBFQIFTEQW-GFCCVEGCSA-N 311.223 2.582 0 50 DFAA O=C(c1cc(=O)c2ccccc2[nH]1)N1Cc2ccccc2CO1 366162738 VAGCIKQYVBFCSW-UHFFFAOYSA-N 306.321 2.616 0 50 DFAA CCc1noc(C)c1CN1C(=O)N[C@](C)(c2ccsc2)C1=O 123011664 WJGVGBRBJPIQBF-OAHLLOKOSA-N 319.386 2.574 0 50 DFAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccnc2ccccc12 284526862 JLQMHEBUEZBVII-SNRMKQJTSA-N 312.413 2.991 0 50 DFAA CC(C)C[C@@H](N)C(=O)N1CCC(Oc2ccccc2F)CC1 71746212 OXCUJHWKPQSJPO-OAHLLOKOSA-N 308.397 2.569 0 50 DFAA CC(C)=CCN1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 71755442 BQRKJONMNZYIGA-HNNXBMFYSA-N 312.417 2.706 0 50 DFAA CNC[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 237069192 PULICRXVOYASGE-CYBMUJFWSA-N 315.392 2.754 0 50 DFAA O=C([C@@H]1COc2ccccc2C1)N1CCC[C@H]1c1cccnc1 340571483 KOXWKNBLDXOYIG-IRXDYDNUSA-N 308.381 2.996 0 50 DFAA Cc1cc(=O)[nH]cc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 130896279 SUZRPTATYCKEAW-AWEZNQCLSA-N 314.360 2.527 0 50 DFAA CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CCN3CCC[C@H]3C2)o1 242316996 YWKXJXUVWOETQS-KGLIPLIRSA-N 319.449 2.648 0 50 DFAA O=C(CCc1cnccn1)N[C@H]1CCCOc2c(F)cccc21 242338945 ZDTFZTLFYNVVAR-HNNXBMFYSA-N 315.348 2.578 0 50 DFAA O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccccc1F 40283307 NMZPDDVXUWRAGC-UHFFFAOYSA-N 317.711 2.707 0 50 DFAA CC(C)Oc1ccc2ccccc2c1CNC(=O)[C@H](C)C(=O)O 263537474 AIDFIARTVBACGK-LBPRGKRZSA-N 315.369 2.964 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)c1C 42847189 NUXWFMODXIKWKA-CYBMUJFWSA-N 312.369 2.808 0 50 DFAA CC(C)(C)OC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 147989297 JCJWUFNTUBAWTN-AWEZNQCLSA-N 305.374 2.987 0 50 DFAA CCON1CCC(CC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)CC1 618058088 KSQYHJKFNLTQDJ-KBXCAEBGSA-N 316.445 2.885 0 50 DFAA CC[C@@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cnn(C)c1 91966354 SGJRKBFWWDBVHC-OAHLLOKOSA-N 314.364 2.642 0 50 DFAA Cn1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cn1 91754997 GPJWOQYFVPKIII-INIZCTEOSA-N 313.401 2.753 0 50 DFAA CCc1ccc(OCC(=O)N2CCC[C@H](CC(=O)O)CC2)cc1 299745580 RDVOQDDBWKOAQI-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1n[nH]c2c1CCC2 252493166 NAQVTDXBYWGTQH-CYBMUJFWSA-N 312.417 2.666 0 50 DFAA COCC1(CNC(=O)N2CCCC[C@H]2c2nccs2)CC1 534659736 JYTKTLVNKQWBPP-LBPRGKRZSA-N 309.435 2.806 0 50 DFAA COCc1nc(CN2CCCCC2)n(-c2ccccc2F)n1 824490522 FBJLTHZFGVCZBM-UHFFFAOYSA-N 304.369 2.539 0 50 DFAA CC(C)C[C@@H](C(=O)O)N1CC[C@@H](n2ncc3ccccc32)C1 952852313 NYRPNZZNZCDPTB-ZBFHGGJFSA-N 301.390 2.782 0 50 DFAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[C@@H]2C[C@@]21C(=O)O 1875310818 DFPBVENYQHBAPR-JDSLSITLSA-N 319.405 2.536 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CN(CCO)C2CC2)C1 1875317978 ILTRXZPVZOQDQM-ZIAGYGMSSA-N 312.454 2.527 0 50 DFAA Nc1nc(C(F)(F)C(=O)N2CC[C@H](c3ccccc3)C2)cs1 1775990434 FYGDLOSGQKAEPD-NSHDSACASA-N 323.368 2.833 0 50 DFAA Cc1ccc(CN2C[C@@H]3CC[C@H]2CN(c2cnccn2)C3)s1 1565512537 MRABTFDFGNKWTH-GJZGRUSLSA-N 314.458 2.947 0 50 DFAA CC(C)C[C@H]1C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)CCO1 273850719 LGVZLFSRJNUJKY-NEPJUHHUSA-N 313.344 2.994 0 50 DFAA NC[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Br 170048481 XXJCYOJWIKIRCW-VIFPVBQESA-N 317.614 2.666 0 50 DFAA O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@@H](CO)C1 278653214 MQUAAFFGPXNJLT-SNVBAGLBSA-N 321.764 2.841 0 50 DFAA Cc1cccc(F)c1NC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 279518985 KDLZUOXTKIODNE-OGHNNQOOSA-N 322.380 2.934 0 50 DFAA CCCCn1cc(C(=O)N2CCC3(CCN(C)CC3)C2)c(C)n1 647724999 HYXGVELEPRROSL-UHFFFAOYSA-N 318.465 2.550 0 50 DFAA CCO[C@@H](CNC(=O)Nc1cn(C)nc1C)c1ccccc1 194315710 ZZDIWOWEZRXADX-HNNXBMFYSA-N 302.378 2.628 0 50 DFAA Cc1cnc(C)c(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1 195563897 YLDKIKDFICQRGR-MRXNPFEDSA-N 324.428 2.740 0 50 DFAA C[C@H]1C[C@H](N(C)CC2COCOC2)CCN1Cc1ccccc1 585116541 AEPKDTOQXATXQW-QFBILLFUSA-N 318.461 2.592 0 50 DFAA CN(C(=O)CCc1n[nH]c2c1CCCC2)C1Cc2ccccc2C1 1506419655 USEWZTYLEOOIMV-UHFFFAOYSA-N 323.440 2.847 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@H]2O)n[nH]1 1529112246 HOCOBYDWKJBTRV-WBMJQRKESA-N 323.799 2.546 0 50 DFAA Cc1nc(C)c(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)s1 1529195943 RWESGIKHSAEJJM-NMWPEEMBSA-N 321.490 2.951 0 50 DFAA O=C(c1ccnc(NCC[C@@H]2CCCOC2)c1)N1CCCC1 1704340008 BNRRYSQTMJJYDM-AWEZNQCLSA-N 303.406 2.546 0 50 DFAA CCc1ccc(C=NNS(=O)(=O)c2ccc(C)cc2)cc1 16156374 QVBPOTAXCYJKOS-UHFFFAOYSA-N 302.399 2.870 0 50 DFAA COc1ccc(CNC(=O)c2nc(-c3cccs3)no2)cc1 16576638 TXZTVQOPGCBAHQ-UHFFFAOYSA-N 315.354 2.737 0 50 DFAA CCOC(=O)[C@H](C)c1cn2cc(Br)sc2n1 306127303 FUTSWPJKCJMKIF-ZCFIWIBFSA-N 303.181 2.825 0 50 DFAA in-vitro Cc1nnc([C@@H]2COCCN2C(=O)c2ccc(C(C)C)s2)o1 328611343 LHRYFFNYCMFTDP-NSHDSACASA-N 321.402 2.777 0 50 DFAA CC(C)n1ncc2cc(CN3CCC[C@H](C)[C@@H]3CO)cnc21 332579436 HSNAHJAIEJCQLX-BBRMVZONSA-N 302.422 2.605 0 50 DFAA NC(=O)c1ccc(CN2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 364708671 IQTSWBNMZBISGB-QGZVFWFLSA-N 314.360 2.578 0 50 DFAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(Cl)cc2F)C1 379177287 FRAMXBZYPKXOTD-KWQFWETISA-N 324.705 2.973 0 50 DFAA O=C(O)c1cccc2c1CCCN2Cc1nccn1C(F)F 386473843 KTIWNNIRYQEJPX-UHFFFAOYSA-N 307.300 2.929 0 50 DFAA CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC[C@H](C)O 1775994379 DECFOBOPWZEUFC-SOUVJXGZSA-N 314.470 2.629 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](O)[C@@H]2C)c(Br)s1 296243739 XGFVMSIGUFVADF-WPRPVWTQSA-N 318.236 2.804 0 50 DFAA O=C(N=c1[nH][nH]cc1-c1ccc(F)cc1)c1cccc2c1COC2 2100555321 QPQAVWHDRQOINR-UHFFFAOYSA-N 323.327 2.920 0 50 DFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)NC[C@]12CCCN[C@H]1C2 2325768858 YXKBXUSTWLVGCM-YQQAZPJKSA-N 320.820 2.560 0 50 DFAA CN(c1ccccc1)C1CCN(Cc2ccn3ncnc3c2)CC1 2325771879 YCKICZFDUFPIII-UHFFFAOYSA-N 321.428 2.830 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2C(=O)O[C@@H]1CCC2(COC2)C1 2325799757 WILRYGJCYLUUJR-NEPJUHHUSA-N 307.415 2.984 0 50 DFAA CC1(C(=O)N2CC(Nc3ccc(F)cc3)C2)CCC(=O)CC1 913492642 UJUCKUPGFYCLRT-UHFFFAOYSA-N 304.365 2.598 0 50 DFAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccccc2)cc1 991011 QMBYRPDRTJMYND-QGZVFWFLSA-N 324.380 2.848 0 50 DFAA COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1 2576614 ISEHHCOIDMZBSU-KGLIPLIRSA-N 321.373 2.730 0 50 DFAA CC(C)n1cc(C(=O)N2CCC(OC(F)(F)F)CC2)cn1 2356148551 FKVKMZORBHDQFL-UHFFFAOYSA-N 305.300 2.605 0 50 DFAA COc1cccc(NC(=O)Nc2ccc(CC(=O)O)cc2)c1 6700116 YBEDOLCKIZVLTG-UHFFFAOYSA-N 300.314 2.966 0 50 DFAA COc1ccc(-c2cc(=O)n3c(nc4ccccc43)[nH]2)cc1OC 9059998 MLIPCSKLNQGSJP-UHFFFAOYSA-N 321.336 2.860 0 50 DFAA Clc1ccccc1OC1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 102546465 ZYUFHNAZTFWSCO-FICVDOATSA-N 306.837 2.649 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccccn1 55519406 ZLUJAMXIPUSZPZ-QGZVFWFLSA-N 312.417 2.728 0 50 DFAA CN(C)CCCN(C)[C@@H]1CCCN(CCCc2ccccc2)C1 20919670 IWUDLLLXTYXDOV-HXUWFJFHSA-N 317.521 2.967 0 50 DFAA C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H]2c2ccccc2)C1 252457265 RYRHBKCRVIVXEY-HOCLYGCPSA-N 308.447 2.800 0 50 DFAA Cc1nc(N(C)C)nc(N2CCC(N3CCCCC3)CC2)c1C 65418931 JYCJOLVUMZSYOG-UHFFFAOYSA-N 317.481 2.614 0 50 DFAA Fc1ccc(Cc2noc(CC3C[C@@H]4CC[C@H](C3)N4)n2)cc1 316281088 XTKGTCWSEPMYGY-LQDVMPOASA-N 301.365 2.873 0 50 DFAA CN(Cc1nccs1)C(=O)CCc1nnc(C2CCCC2)o1 121508276 OHCIKQJPIZHAEG-UHFFFAOYSA-N 320.418 2.775 0 50 DFAA COc1cccc2cc(C(=O)NCc3ccccc3)c(=N)oc12 175251 DKESOGJAUOBCRV-UHFFFAOYSA-N 308.337 2.851 0 50 DFAA CCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O 2559584 XPAOPAPDCRLMTR-UHFFFAOYSA-N 323.295 2.800 0 50 DFAA biogenic,in-vitro CCOCCN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 253428265 CRBZGRIKKHXMQU-LSDHHAIUSA-N 314.470 2.990 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NC[C@H]2CCCOC2)c1 72454190 QFARZPMPEHRVPQ-OAHLLOKOSA-N 305.418 2.547 0 50 DFAA O=C(Cc1ccsc1)Nc1ccc(F)c(-c2nc[nH]n2)c1 439252436 ZLSXPXAAFRZQDU-UHFFFAOYSA-N 302.334 2.854 0 50 DFAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCN1 155068288 KYYGXZFMWXEJJT-HONMWMINSA-N 312.335 2.629 0 50 DFAA CC(=O)c1ccc(C(=O)N2CC=C(c3ccnn3C)CC2)s1 331892521 HOFNWXMJPIRPTK-UHFFFAOYSA-N 315.398 2.614 0 50 DFAA CC(C)c1nccn1[C@H](C)C(=O)NCCCc1ccncc1 218853436 FIIJLVIERNTMMX-CQSZACIVSA-N 300.406 2.712 0 50 DFAA O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1c1ccsc1 332903831 AKQILRSTLQAXND-ZFWWWQNUSA-N 316.430 2.875 0 50 DFAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1 34685245 PKHHJECXXHOADW-IRXDYDNUSA-N 306.365 2.945 0 50 DFAA biogenic O[C@@]1(c2ccc(F)cc2)CCN(Cc2cccc3nccn23)C1 375043736 VLMGOHDBFUZKKU-SFHVURJKSA-N 311.360 2.567 0 50 DFAA COC(=O)CCN1CCO[C@H](Cc2cccc3ccccc23)C1 71552311 KSIPWSWZRQODLY-QGZVFWFLSA-N 313.397 2.646 0 50 DFAA C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CC1)C(=O)O 237401306 QOSMZQGBIJSLLC-DAXOMENPSA-N 301.386 2.782 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NC2(CO)CCCCC2)c1 72423557 WODQKEQMYCYMSE-UHFFFAOYSA-N 319.445 2.815 0 50 DFAA O=C(Nc1n[nH]c2ccccc12)c1cc(-c2cccnc2)n[nH]1 218498166 YHQPCQVHTWYGPL-UHFFFAOYSA-N 304.313 2.600 0 50 DFAA COc1ccc(Cl)cc1-c1nccc(N2CCC[C@H](O)C2)n1 216273387 MWWIPVHWBWSNSK-LBPRGKRZSA-N 319.792 2.767 0 50 DFAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 71551787 UDTJQHJQVHKIQJ-MRVPVSSYSA-N 317.216 2.898 0 50 DFAA CNC[C@H]1CCN(C(=O)CCCOc2ccc(Cl)c(C)c2)C1 178978482 KJWMEIZTIHLYST-CQSZACIVSA-N 324.852 2.875 0 50 DFAA CNC[C@H]1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 179022030 XJUWTADFBKZLCC-WXJAXGNASA-N 312.335 2.787 0 50 DFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)[C@H]1CCC[C@H](O)C1 223884204 FIBDUTMEEXIZCX-HOCLYGCPSA-N 313.401 2.586 0 50 DFAA Cc1c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cnn1C(C)(C)C 194284364 IRWCHGDROGHSLK-UHFFFAOYSA-N 314.345 2.633 0 50 DFAA CCCO[C@H](C)CNC(=O)Nc1ccc(OC)c(NC(C)=O)c1 97553154 LQHWXVOPBKJPBM-LLVKDONJSA-N 323.393 2.590 0 50 DFAA O=C(c1ccc(-c2ncc[nH]2)s1)N1CC(c2ccncc2)C1 426632902 QJQNGSRLENTLJR-UHFFFAOYSA-N 310.382 2.773 0 50 DFAA CN(C)[C@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1C1CC1 91746218 WMQYBEWGUWATOC-MSOLQXFVSA-N 318.436 2.947 0 50 DFAA O=C(CC1CCCC1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 91985619 NNUZLZPURPUICT-IBGZPJMESA-N 318.461 2.818 0 50 DFAA CCOc1ncccc1C(=O)OCc1ccccc1COC 182500913 VCKXOTMPRLOFRU-UHFFFAOYSA-N 301.342 2.984 0 50 DFAA O=C(CCN1CCC[C@@H]1c1nccs1)Nc1nccs1 244874510 XCPBNEKSJLNKQO-SNVBAGLBSA-N 308.432 2.765 0 50 DFAA CCCn1cc(NC(=O)NCCSC2CCCCC2)nn1 299793270 HZPLZWRODJCZLY-UHFFFAOYSA-N 311.455 2.876 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(CN2CCCC2)o1 828166510 UBOWRUSELBSDHI-NSHDSACASA-N 316.405 2.706 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccccc3F)C2)cc1 1875361397 ZBRHAHUCGXEULR-MRXNPFEDSA-N 314.316 2.966 0 50 DFAA CC(=O)N1CCC(C(=O)N2CC(c3cccc(Cl)c3)C2)CC1 1875311794 ANAFRJHPPVUKFO-UHFFFAOYSA-N 320.820 2.524 0 50 DFAA CC[C@@H]1CCC[C@H]1C(=O)NS(=O)(=O)Cc1ccsc1 1875318863 XJFVOFOYQPLXLE-VXGBXAGGSA-N 301.433 2.520 0 50 DFAA C[C@@H](C(=O)Nc1ccc2ncn(C)c(=O)c2c1)c1ccsc1 1875350580 SJLHZWBEIZUCAZ-SNVBAGLBSA-N 313.382 2.737 0 50 DFAA CC(C)Oc1nccc(C(=O)N[C@H](CO)CC2CCCC2)c1F 1875329268 NREOHXNDKCNUJZ-ZDUSSCGKSA-N 324.396 2.679 0 50 DFAA Cc1onc(C(=O)NCc2ccc3sccc3c2)c1CO 885939221 XAZCINBWFJRNER-UHFFFAOYSA-N 302.355 2.620 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](Cc2nc(C(=O)O)cs2)C1 1772716190 XAEMQFOAZTZYTB-SECBINFHSA-N 312.391 2.641 0 50 DFAA O=S(=O)(Cc1cnn(CCF)c1)c1ccc(F)c(Cl)c1 899464710 BZUCYNKDLDCTIG-UHFFFAOYSA-N 320.748 2.619 0 50 DFAA COc1ccc([C@H]2CN(c3nccs3)C[C@@H]2N(C)C)cc1 1565506948 VNYZVWXBOJTYEV-CABCVRRESA-N 303.431 2.686 0 50 DFAA O=S(=O)(C[C@H]1CCCCO1)NCCC1=CCCCCC1 186031273 YUTJKWDXFKOLRD-OAHLLOKOSA-N 301.452 2.756 0 50 DFAA Cc1nc2c(n1[C@@H]1CCN(CC3=CCCOC3)C1)CCCC2 275592041 KHXOHCQFNMNPIF-MRXNPFEDSA-N 301.434 2.664 0 50 DFAA Cc1ccc(C)c([C@H](O)CN[C@@H](C)c2nnc3ccccn23)c1 170003043 LCMBYXCICDOEKU-GOEBONIOSA-N 310.401 2.730 0 50 DFAA Cc1ccc(-c2ccc(=O)n(CCOCC(F)F)n2)s1 170604863 XNMGLGJYDDCZKY-UHFFFAOYSA-N 300.330 2.562 0 50 DFAA O=C(N[C@H](c1ccccc1)c1nccs1)c1cnns1 171495383 KEATZEBRNBVJPZ-LLVKDONJSA-N 302.384 2.514 0 50 DFAA Cc1n[nH]nc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 188563098 ROWASVNQEVMLGE-UHFFFAOYSA-N 324.306 2.937 0 50 DFAA COCc1cccc(CNC(=O)Nc2ccc(N(C)C)cn2)c1 193877773 CQLWWNGWDIDIAJ-UHFFFAOYSA-N 314.389 2.616 0 50 DFAA O=C(c1cc2occc2[nH]1)N1CCC(O)(c2ccccc2)CC1 768582147 NADINEPDEITCCT-UHFFFAOYSA-N 310.353 2.885 0 50 DFAA CNc1nc(NC[C@@H]2CCCN(C3CCCC3)C2)ncc1F 1506398207 XCOAMPOUSPRLNB-LBPRGKRZSA-N 307.417 2.724 0 50 DFAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)O)n1C 1604680625 ZXDAFZGCNRSISE-TZMCWYRMSA-N 312.369 2.742 0 50 DFAA Cc1cc(C(=O)Nc2nnc(SC(F)(F)F)s2)on1 1615588491 QVBFYKVIEMMNSR-UHFFFAOYSA-N 310.282 2.699 0 50 DFAA CNc1nnc(SC[C@]2(c3ccccc3)COCCO2)s1 1615587251 CSKMOBMNKYMYES-AWEZNQCLSA-N 323.443 2.614 0 50 DFAA OC[C@@H]1CC[C@H](NCc2ccc(OCc3cscn3)cc2)C1 1615571837 AEJSQOKZGVYTPG-CABCVRRESA-N 318.442 2.973 0 50 DFAA Cc1cccc(OCCCN(C)C[C@H]2CCC(=O)N(C)C2)c1C 1775977507 HGHFVAVFPNSARC-QGZVFWFLSA-N 318.461 2.873 0 50 DFAA O=C(CC[C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC1 11818152 JWBRIBDXQDGKJR-INIZCTEOSA-N 301.434 2.696 0 50 DFAA C[C@@]1(CNC(=O)c2csc(-c3ccc(O)cc3)n2)CCCO1 755573966 ARWMFUAWTVDHFI-INIZCTEOSA-N 318.398 2.815 0 50 DFAA Cc1cc(-n2cccn2)ccc1CN1C[C@@H]2CC[C@H]1CN(C)C2 248139090 PSSYYDKGVASGKV-APWZRJJASA-N 310.445 2.707 0 50 DFAA CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 129871619 TVSUBYVMVWLRGY-GHMZBOCLSA-N 315.401 2.910 0 50 DFAA CCCCc1nc2c(sc3nc(C)cc(C)c32)c(=O)n1N 4709480 CZXGXTGJGHCAMI-UHFFFAOYSA-N 302.403 2.679 0 50 DFAA C[C@H]1CN(C2CC2)CCN1Cc1c[nH]nc1-c1cccc(F)c1 2100556779 RZLXMVUQRMDUBD-ZDUSSCGKSA-N 314.408 2.884 0 50 DFAA O=C(O)[C@@H](CNC(=O)N1CC=CCC1)Cc1ccccc1Cl 2325794727 OUACCIATCQGYER-CYBMUJFWSA-N 322.792 2.555 0 50 DFAA N[C@@H]1CCCN(Cc2ccc(-c3cccc4c3CCCC4)nn2)C1 2325796847 UWKBLLFDUZTQGI-MRXNPFEDSA-N 322.456 2.946 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccoc3CN)cc2)c1C 2325824491 CVBBBAYSEBDRTA-UHFFFAOYSA-N 310.357 2.793 0 50 DFAA Cc1cc(O[C@@H]2CCN(Cc3cc4ccccn4n3)C2)ccn1 2325826263 VZMUSNGOTSENEJ-GOSISDBHSA-N 308.385 2.691 0 50 DFAA CCOc1ccc([C@H](NC=O)c2ccc(OC)c(OC)c2)cc1 337601 WCHBZXXIWHDFSD-SFHVURJKSA-N 315.369 2.938 0 50 DFAA Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c(C)n1C 2356151262 ALOUPILNJXXJCT-FUHWJXTLSA-N 312.413 2.633 0 50 DFAA Cc1cc(=O)oc2cc(Nc3ccc(C(=O)N(C)C)cn3)ccc12 2356160121 DULFVSADMFARRA-UHFFFAOYSA-N 323.352 2.942 0 50 DFAA O=C(NCc1ccccc1F)C(=O)Nc1cccc(Cl)c1 4856712 MDOBFMHKHSODNP-UHFFFAOYSA-N 306.724 2.734 0 50 DFAA Cc1ccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)cc1C 4973384 SUDCSVVOHPAOBS-CQSZACIVSA-N 309.369 2.690 0 50 DFAA O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2ccccc2o1 6287544 MVZTZZQGQGMCKQ-UHFFFAOYSA-N 305.297 2.661 0 50 DFAA O[C@@]1(Cn2cnc(-c3ccccc3)c2)CCCN2CCCC[C@@H]21 63847474 MIVQHYKQOWODLE-RTBURBONSA-N 311.429 2.930 0 50 DFAA CC(C)c1cc(-c2nnc3sc(-c4cccnc4)nn23)[nH]n1 22502721 FOLASOHKQRLJQC-UHFFFAOYSA-N 311.374 2.761 0 50 DFAA Cc1nc(/C=C\C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cs1 314534018 SNEYHODWWIAXOM-BXLATTBBSA-N 320.414 2.709 0 50 DFAA CC(C)COc1cncc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1 151043569 MMGXWGNQCGQBLE-RHSMWYFYSA-N 305.422 2.643 0 50 DFAA CCn1cc(C2CCN(C(=O)Nc3ccc(F)cn3)CC2)cn1 122281888 YTQGVVUPYJRJJX-UHFFFAOYSA-N 317.368 2.849 0 50 DFAA CSCc1nc(CNc2cc(C)nc3ccnn23)cs1 72453758 KSSLDOXHMRFKGU-UHFFFAOYSA-N 305.432 2.969 0 50 DFAA O=c1[nH]c(Cn2cnc3ccccc32)nc2ccc(Cl)cc12 122864620 ZJZLMFSQVYMMGW-UHFFFAOYSA-N 310.744 2.975 0 50 DFAA CC(=O)c1cc(CN(C)Cc2ccc3c(c2)CN(C)C3)n(C)c1 216098259 FXQHKIYIVJGOGG-UHFFFAOYSA-N 311.429 2.805 0 50 DFAA Cn1nccc1C(=O)N1CCc2ccccc2[C@@]1(C)C(F)(F)F 241644277 PPQOSFMFQVGYRE-HNNXBMFYSA-N 323.318 2.896 0 50 DFAA COc1cccc([C@H]2CCCN2Cc2cnc(N(C)C)nc2)c1 215597266 LZHHUIJNQFXRGM-QGZVFWFLSA-N 312.417 2.888 0 50 DFAA C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cccn1C 174394985 GUCYDLUMGHRICF-PBHICJAKSA-N 313.401 2.941 0 50 DFAA Cc1ccc(F)c(CCNC(=O)[C@@H]2CCn3c(cnc3C)C2)c1 456333381 QOQNEGOXROEQBB-OAHLLOKOSA-N 315.392 2.560 0 50 DFAA Cc1cc(OC(F)F)c(C(=O)N2CCC(C(=O)O)CC2)s1 237762797 ITVMBEBKKHBBDI-UHFFFAOYSA-N 319.329 2.595 0 50 DFAA COC(=O)C1(N(C)Cc2c(C)nn(C)c2Cl)CCCCC1 129640095 PBBDLJBPLLIUAC-UHFFFAOYSA-N 313.829 2.690 0 50 DFAA CCN(Cc1ccncc1)C(=O)N[C@@H](C)c1nc(C(C)C)no1 426495543 APPNOXDOPCINKF-LBPRGKRZSA-N 317.393 2.881 0 50 DFAA CC(C)c1nccc(C(=O)NCCCn2ccnc2C(C)C)n1 220585870 WWDIARRAMJTMEA-UHFFFAOYSA-N 315.421 2.740 0 50 DFAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 220402904 PVGGBRKQPPCHJB-MRXNPFEDSA-N 323.396 2.531 0 50 DFAA O=C(O)Cn1nccc1[C@@H]1CCCN(CC2=CCCCC2)C1 426498766 UORRGPPQQQUTDX-OAHLLOKOSA-N 303.406 2.648 0 50 DFAA CCc1noc([C@@H](C)N2CCO[C@H](Cc3ccccc3)C2)n1 181559770 IPQCDTFEBLNZPA-UKRRQHHQSA-N 301.390 2.637 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 238924049 QOVVJJKOVRXEPM-RSQFIKMBSA-N 315.413 2.594 0 50 DFAA CCn1nc(CC(C)C)cc1C(=O)NCCc1ccc(O)cc1 91849366 JKARXILEGNRDRA-UHFFFAOYSA-N 315.417 2.780 0 50 DFAA CCn1nncc1C(=O)NC[C@H]1CCC(C)(C)c2ccccc21 294653066 SIVABWADRKZYFW-CYBMUJFWSA-N 312.417 2.883 0 50 DFAA O=C1CC[C@]2(CCOC2)CN1Cc1coc(-c2ccccc2)n1 91943202 SXXFEQDXJOMABD-SFHVURJKSA-N 312.369 2.871 0 50 DFAA COc1ccccc1CCc1nc([C@H](O)c2ccccc2)nn1C 91808310 ZIKWTBFEMGZAFU-GOSISDBHSA-N 323.396 2.691 0 50 DFAA CNC(=O)C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 575631047 MQZWTCIUDSDFCQ-QFIPXVFZSA-N 323.364 2.549 0 50 DFAA in-vitro Cc1ncc(C(=O)NCCCc2ccc(C(C)C)cc2)c(O)n1 670457977 UTYYEUVCBMVVMN-UHFFFAOYSA-N 313.401 2.977 0 50 DFAA CCC[C@@H](NC(=O)N(C)CCOc1cc(C)ccc1C)C(=O)O 670448161 GDNMRXCGIMRATD-CQSZACIVSA-N 322.405 2.577 0 50 DFAA C[C@H](NCc1cc2ccc(Cl)cc2nc1O)c1nncn1C 952966631 XRRDGNTYOJUOLF-VIFPVBQESA-N 317.780 2.573 0 50 DFAA O=C(Cc1csc(C2CC2)n1)N[C@@H]1CCC[C@@H]1n1ccnc1 889007379 JTLAXAGNVZGQDJ-KGLIPLIRSA-N 316.430 2.670 0 50 DFAA Cc1ccc(CNC(=O)NCc2nc(C(C)(C)C)co2)nc1 895503134 PJQJTXFDNQQJFC-UHFFFAOYSA-N 302.378 2.675 0 50 DFAA CC(C)C(=O)Nc1cc(Cl)cnc1I 1775994506 WZBDNQYVMYCWPU-UHFFFAOYSA-N 324.549 2.934 0 50 DFAA CCOc1cccc(N2CCC(NC(=O)N(CC)CC)CC2)n1 1365745613 WBJMMPMRCVLGMM-UHFFFAOYSA-N 320.437 2.501 0 50 DFAA CN(C)[C@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1CCC(=O)O 1565529593 BQNZQHQRARANRV-ZBFHGGJFSA-N 324.852 2.957 0 50 DFAA CC1CCN(C(=O)COc2ccnc(C(F)(F)F)c2)CC1 170616287 SRSSPDUHGDRPHP-UHFFFAOYSA-N 302.296 2.738 0 50 DFAA C[C@H]1CCC[C@H](CCNS(=O)(=O)N2CCCCCC2)C1 170627432 QEBPONPYJZFOPN-LSDHHAIUSA-N 302.484 2.913 0 50 DFAA CN1CCN(C(=O)c2ccc(-n3ccnc3)cc2)c2ccccc21 171909659 GKNSYQNSOQMUGD-UHFFFAOYSA-N 318.380 2.969 0 50 DFAA CCOC(C)(C)CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 187660754 PMGAPOOWTLURRM-ZDUSSCGKSA-N 308.426 2.688 0 50 DFAA Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)sc2ccc(F)cc12 188957503 YQFGIVPIQJXUBU-JTQLQIEISA-N 320.389 2.699 0 50 DFAA CCc1nc(C(C)C)ccc1Cn1cc(Cn2ccnc2)nn1 641115507 PLTBLLUXYGHBEL-UHFFFAOYSA-N 310.405 2.652 0 50 DFAA C[C@@H](C[S@@](C)=O)NC(=O)N1CCCC2(CCCCC2)CC1 190221746 CXYQXROIHRKEQO-LHSJRXKWSA-N 314.495 2.899 0 50 DFAA O=C(N[C@H]1CCCOCC1)c1cc(O)ccc1C(F)(F)F 193763544 JKQVRLDBDAAUHD-VIFPVBQESA-N 303.280 2.710 0 50 DFAA O=C(CN1CC[C@H](c2ccccn2)C1)Nc1ccc(F)cc1F 799192905 ITLIGDBCDSCORS-LBPRGKRZSA-N 317.339 2.788 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1C 1529114697 SWIAEJRQMDXFES-MJGOQNOKSA-N 324.424 2.994 0 50 DFAA CCc1ncoc1C(=O)N1CCc2cc(OC)c(F)cc2C1 1615590014 HVURSYFKSNTQJR-UHFFFAOYSA-N 304.321 2.583 0 50 DFAA O=C(C1CCCC1)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1616068422 CCKLQSGBBLAXKJ-LPHOPBHVSA-N 324.424 2.787 0 50 DFAA CCC(=O)N(Cc1ncc[nH]1)c1cncc(Br)c1 585125564 XIGJJPXEWNRENE-UHFFFAOYSA-N 309.167 2.510 0 50 DFAA Cc1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 13626675 HZMULJVKKRURHS-UHFFFAOYSA-N 312.369 2.714 0 50 DFAA C[C@H]1CN(C[C@@H](O)COc2ccccc2C(C)(C)C)C[C@@H](C)O1 19781652 HEIQUICBMLVKRZ-OWCLPIDISA-N 321.461 2.833 0 50 DFAA CC(C)NC(=O)C12CC3CC(C1)CC(C(=O)NC(C)C)(C3)C2 4247195 SVRRDBKVONDYNR-UHFFFAOYSA-N 306.450 2.622 0 50 DFAA COc1ccc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)cc1 330032406 MPIQNVBKDBZHEN-MRXNPFEDSA-N 318.398 2.520 0 50 DFAA Cc1cc(C(=O)N(C(C)C)C2CC2)cc(C)c1OCC(=O)O 236696967 OISSTCFLZSBVHX-UHFFFAOYSA-N 305.374 2.780 0 50 DFAA CC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 136367444 URVJLRRDTLGBPU-MRXNPFEDSA-N 302.418 2.501 0 50 DFAA C[C@@H]1CCOCCN1C(=O)c1coc(-c2c(F)cccc2F)n1 817443574 RAEFETMKOBWMSA-SNVBAGLBSA-N 322.311 2.871 0 50 DFAA CC(C)Cc1ccccc1CN1CCOC[C@H]1c1nc[nH]n1 930379607 HETUUNSWRJZLJK-INIZCTEOSA-N 300.406 2.577 0 50 DFAA Cc1nnc([C@@H]2CCCN(C(=O)Nc3cncc(Cl)c3)C2)o1 932125828 AJLSFUVAIOQAHH-SNVBAGLBSA-N 321.768 2.838 0 50 DFAA CC(C)(C)c1cc2n(n1)CCN(C(=O)CCc1ccccn1)C2 834490950 QKUHCAGZRWBUCA-UHFFFAOYSA-N 312.417 2.551 0 50 DFAA Cc1ncc(Cl)c(N2CC3(COc4ccccc4C3)C2)n1 2100543309 PBBOFUWIKLHNCY-UHFFFAOYSA-N 301.777 2.880 0 50 DFAA Cc1[nH]nc2ncc(CNCCc3ccc4c(c3)C[C@H](C)O4)cc12 2325764729 MSVJKZIUIBRRQV-LBPRGKRZSA-N 322.412 2.922 0 50 DFAA Cc1cn(C)c(CN=c2cc(C)n(-c3ccc(F)cc3F)[nH]2)n1 2325773945 GFNPUNBEFWXRDI-UHFFFAOYSA-N 317.343 2.535 0 50 DFAA Cc1nc2ccccn2c1CNCCc1cn(C)c2ncccc12 865812074 JASXROSFVKPNGV-UHFFFAOYSA-N 319.412 2.862 0 50 DFAA CCc1nocc1CS(=O)(=O)[C@@H](COC)c1ccccc1 899512625 IKEITZHONXCVAU-HNNXBMFYSA-N 309.387 2.540 0 50 DFAA COc1cc(C(=O)N2CCc3ccccc32)cc(OC)c1OC 142142 YPTWMTJCWNQSNF-UHFFFAOYSA-N 313.353 2.915 0 50 DFAA CCOC(=O)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1 170264 MMMQYCIFEPBLIT-UHFFFAOYSA-N 319.401 2.707 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)CCCC2 459311 RKYXFMPAFKYDED-FQEVSTJZSA-N 321.376 2.978 0 50 DFAA CCOC(=O)N1CCN(c2ccc(C(C)=O)cc2F)C[C@H]1C 466546 BBICXZQLEGKWPG-LLVKDONJSA-N 308.353 2.695 0 50 DFAA COc1ccc(CNCCc2ccc3c(c2)OCO3)cc1OC 2494947 QNKPKPNPSYVNES-UHFFFAOYSA-N 315.369 2.765 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@]23CCCN(C)C3=O)c(F)c1F 2356158703 VYXIFIZUHFSBJC-KRWDZBQOSA-N 322.355 2.500 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCCCCC3)CC2=O)cc1 2865340 VDRBJNJWNKZLNV-HNNXBMFYSA-N 300.402 2.751 0 50 DFAA COc1ccccc1C(=O)NCCCN1CCc2ccccc21 10113732 ABOOJHFULDQMPM-UHFFFAOYSA-N 310.397 2.878 0 50 DFAA Cc1cc(C)n(C[C@H](C)NC(=O)CCN2CCCCCCC2)n1 55118894 FZFNNSHGRKMDFA-INIZCTEOSA-N 320.481 2.661 0 50 DFAA Fc1ccccc1CC1CCN(c2ncnc3n[nH]cc23)CC1 347187581 PHWWEKPYEQUYAB-UHFFFAOYSA-N 311.364 2.951 0 50 DFAA C[C@H](c1nnnn1C1CCCCC1)N1CC[C@@H]2OCCC[C@@H]2C1 249492481 VOZYKYXHUMWFQR-FMKPAKJESA-N 319.453 2.740 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348244337 MVUNQVDSUNNRSG-HZPDHXFCSA-N 303.333 2.686 0 50 DFAA Cc1ccc(OCC(=O)N(C)c2ccc(Cl)nn2)c(C)c1 118613756 JKHILZHIIFBJMN-UHFFFAOYSA-N 305.765 2.789 0 50 DFAA FC(F)CNCc1cc(Br)c2c(c1)OCCCO2 136581810 MNXVTIAHTGLZQR-UHFFFAOYSA-N 322.149 2.965 0 50 DFAA COc1ccc(-c2cc(C)nc(N)n2)c(-n2nc(C)cc2C)c1 65397831 PNPTWYMDVMENIJ-UHFFFAOYSA-N 309.373 2.845 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccncc3)C[C@H]21 230109438 GEBGLYXJQNSKEK-BZUAXINKSA-N 317.433 2.817 0 50 DFAA CCc1cc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)on1 67688950 IBXCSUQFLPYJOV-UHFFFAOYSA-N 310.357 2.899 0 50 DFAA COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 173508696 PGFVLKDZMHBVHY-CHWSQXEVSA-N 308.426 2.502 0 50 DFAA COc1cc(CC2CN(C(=O)c3occc3C)C2)cc(OC)c1 253431000 PUXMHBDDYKWYMK-UHFFFAOYSA-N 315.369 2.920 0 50 DFAA COc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCC(C)C 4119146 OYWMGWTVGDSBLX-AWEZNQCLSA-N 317.385 2.772 0 50 DFAA CCc1cc(C(=O)Nc2cc(-c3ccco3)nn2C)cc(O)n1 253536230 LEOGTGUWFNHRQQ-UHFFFAOYSA-N 312.329 2.595 0 50 DFAA C[C@@H](C(=O)NCC(=O)O)c1ccc(-c2ccccc2)c(F)c1 6764358 GGJPXNNKVFGSGZ-LLVKDONJSA-N 301.317 2.797 0 50 DFAA biogenic COc1cc(CN2CCN(C3CC3)CC2)ccc1OC(C)C 127887179 AJOOVURJNBLTRG-UHFFFAOYSA-N 304.434 2.762 0 50 DFAA C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 125091491 UIKIONWZRPHSBU-DDTOSNHZSA-N 312.335 2.629 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 257365760 KTGQGJPYDAZYKC-QZTJIDSGSA-N 324.428 2.571 0 50 DFAA CCN(C(=O)c1conc1COC)[C@H]1CCCc2cccnc21 606443591 HWEDUEDLNDNSMV-HNNXBMFYSA-N 315.373 2.756 0 50 DFAA C[C@H](Nc1cccc2c1OCO2)c1ccc(S(C)(=O)=O)cc1 360816105 NIGZRZTVSUEXMU-NSHDSACASA-N 319.382 2.992 0 50 DFAA O=C(O)c1cnc(N2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 77387148 BDNVKXGLLMBABN-VIFPVBQESA-N 306.753 2.540 0 50 DFAA Cc1noc(C)c1CC(=O)N[C@@H](Cn1cccn1)c1ccccc1 78144902 XTWXLPRGIDTSIH-KRWDZBQOSA-N 324.384 2.588 0 50 DFAA C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O 71257217 IYCDFUCBUZDDIU-MBYPHNFESA-N 316.441 2.706 0 50 DFAA in-vitro Cc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)[nH]n1 71746729 WYBSHPWMKXAPJH-AWEZNQCLSA-N 305.765 2.585 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCN(C)CC1 72117208 QKOCBLGWLNTPKB-KRWDZBQOSA-N 302.418 2.531 0 50 DFAA CC(=O)N[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)C[C@H]1C(C)C 77554232 ZEZSRQVCDOWGHM-LSDHHAIUSA-N 323.824 2.964 0 50 DFAA CC1(C)CCCN1CCNC(=O)c1ccncc1C(F)(F)F 457062460 VFUZTHXEOMUQPQ-UHFFFAOYSA-N 315.339 2.705 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1nccs1 82137507 XMFZENRQOYGFOY-CQSZACIVSA-N 318.446 2.790 0 50 DFAA C/C(=C\C(=O)N1CC[C@@H](CN)C1)c1cccc(C(F)(F)F)c1 178563483 VHDSHJDKFXCTTE-VNKGSWCUSA-N 312.335 2.916 0 50 DFAA CCCOc1ccc(CNC(=O)[C@H](C)Br)cc1 41688155 AATHFRFXQRNLSL-JTQLQIEISA-N 300.196 2.875 0 50 DFAA CN(Cc1n[nH]c2c1CCCC2)C[C@@H]1CCCN2CCCC[C@H]12 142896467 FUCHAQPTNMPZPC-HNAYVOBHSA-N 316.493 2.985 0 50 DFAA Cc1c([C@H](C)NC(=O)c2ncccc2O)cnn1-c1ccccc1 91426538 ZDXJMTDQNVFVIW-LBPRGKRZSA-N 322.368 2.772 0 50 DFAA CC(C)c1nc(CN(C)Cc2nc(-c3ccccn3)no2)co1 97402463 DYXZKXUUOLQVOU-UHFFFAOYSA-N 313.361 2.875 0 50 DFAA Cc1cc2c(N3CCC4(CC3)OCCC[C@H]4O)ncnc2s1 95360250 NZVXHCOXGYFFRD-CYBMUJFWSA-N 319.430 2.510 0 50 DFAA Cc1cc(C(=O)N[C@@H]2CCCNC2)c2cccc(Cl)c2n1 97370268 FCDWLCTZTFDBRO-LLVKDONJSA-N 303.793 2.678 0 50 DFAA COC(=O)C[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2F)C1 97475082 OXFPPIDPUNMRCD-QMMMGPOBSA-N 316.279 2.521 0 50 DFAA Cn1ccc2c(C(=O)N[C@H](C(=O)O)c3ccccc3)cccc21 237810910 YPIZAXIOTLYDIP-INIZCTEOSA-N 308.337 2.734 0 50 DFAA Cc1nc(CCNC(=O)[C@H]2COc3ccccc3C2)sc1C 95522566 WFBUQJPGPJKSQI-CQSZACIVSA-N 316.426 2.670 0 50 DFAA CCCN1CCC[C@H]1C(=O)NCc1cnccc1C(F)(F)F 621202771 SPPGYXXNTFAZLM-ZDUSSCGKSA-N 315.339 2.591 0 50 DFAA O=C(CCN1CCC[C@@](CO)(CC2CC2)C1)NC1CCCCC1 92081706 ZTWGABYRHUHUKD-LJQANCHMSA-N 322.493 2.700 0 50 DFAA Cc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)N)cn1 269184321 JNKAJHFFZDYJKL-RHSMWYFYSA-N 312.417 2.523 0 50 DFAA O=C1c2ccccc2[C@H]2N(CCCc3cccnc3)CCCN12 252481321 CIVNXWLNILBDJK-SFHVURJKSA-N 307.397 2.875 0 50 DFAA CC(C)[C@H](O)C(=O)N(CCc1ccccc1)Cc1cccnc1 291409303 CASBFRGYNFKBSV-SFHVURJKSA-N 312.413 2.670 0 50 DFAA Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccccc1)C1CC1 299795467 LIUCLDITCNDIAB-QGZVFWFLSA-N 311.385 2.651 0 50 DFAA Cc1n[nH]c(C)c1CCN1CCC[C@H](OCc2ccccn2)C1 299779130 JUWMRKAXKWWNCZ-KRWDZBQOSA-N 314.433 2.645 0 50 DFAA CN1CC[C@H](N(C)C(=O)Nc2cccc(-c3cscn3)c2)C1 299792485 DXRGPKYBBSXSKL-AWEZNQCLSA-N 316.430 2.978 0 50 DFAA Cc1cc(=NCCN2CCCCC2=O)c2cc(F)ccc2[nH]1 826608048 MNLVAUNOTKNOMC-UHFFFAOYSA-N 301.365 2.529 0 50 DFAA c1ccc(-c2nc(CNC3CSCCSC3)no2)cc1 584900210 VYKOQTREWWIODB-UHFFFAOYSA-N 307.444 2.675 0 50 DFAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CC2(CCOCC2)CC[C@@H]1CO 952963726 JXVAQPNIEZNONH-BRWVUGGUSA-N 323.477 2.983 0 50 DFAA CCOc1c(C(=O)NCc2cccnc2)cnn1-c1ccccc1 1875261619 OJDQLVXEUANGBZ-UHFFFAOYSA-N 322.368 2.596 0 50 DFAA C=CC(=O)N1CCC(C(=O)NCC[C@H](C)CC(C)(C)C)CC1 1875365716 RZCJJYKUMHAKIF-AWEZNQCLSA-N 308.466 2.990 0 50 DFAA Cc1nc(-c2cccc(NC(=O)CN(C)C3CCCC3)c2)n[nH]1 952872052 IPSWAFUYBVMELQ-UHFFFAOYSA-N 313.405 2.593 0 50 DFAA COc1cc(F)cc(NC(=O)[C@H]2CCN(c3ccncc3)C2)c1 1420897639 QUHBZQZSWYTDRA-LBPRGKRZSA-N 315.348 2.694 0 50 DFAA CN1C[C@@H](c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1=O 273790259 WSSURTIPGHBCRW-QMMMGPOBSA-N 312.156 2.989 0 50 DFAA NC(=O)c1ccc(CNC[C@H]2CCO[C@H]2c2ccccc2)s1 170040344 OGQAMSNSPTXZSR-CJNGLKHVSA-N 316.426 2.714 0 50 DFAA Cn1cc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)ccc1=O 279455043 FTHUYPMDAAAVCW-ZFWWWQNUSA-N 323.396 2.626 0 50 DFAA O=C(O)C1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1 95707384 QKUIEIBFWFCGSE-UHFFFAOYSA-N 303.358 2.900 0 50 DFAA in-vitro Fc1cc(Br)cc(OCCSc2nnc[nH]2)c1 188139034 XDMXUVZAMCMPTD-UHFFFAOYSA-N 318.171 2.877 0 50 DFAA Cc1ccc(-n2cccc2)c(C(=O)N2CCO[C@H](C(F)F)C2)c1 585080001 NSUAKKDMWYHFHZ-HNNXBMFYSA-N 320.339 2.892 0 50 DFAA Cc1nc(C)c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)s1 218666937 BYACCBXJKHKVNG-SRVKXCTJSA-N 308.403 2.618 0 50 DFAA NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 225591789 JZPJXINGLCAKCV-LBPRGKRZSA-N 313.254 2.878 0 50 DFAA COCc1ccc([C@H]2CCCN2[C@@H](C)c2nnnn2C2CC2)o1 192191763 LGSNKDMHWXCRFZ-SMDDNHRTSA-N 317.393 2.646 0 50 DFAA CCOC(=O)c1ccc2c(c1)N(C(=O)CC(F)(F)F)CCO2 192362163 UDEGYKZLWNZRQZ-UHFFFAOYSA-N 317.263 2.541 0 50 DFAA COc1ccccc1CN(C(=O)c1ccc(CN)o1)C1CC1 195536641 DJEGBORCONIUJS-UHFFFAOYSA-N 300.358 2.552 0 50 DFAA CCCCn1nc(C)cc1NC(=O)CCN1C[C@@H]2CC[C@H]1C2 1529168969 OSWHNCYSWJCNEX-CABCVRRESA-N 304.438 2.805 0 50 DFAA CCc1nn(C)c(NC(=O)[C@@H](c2cccc(F)c2)N(C)C)c1C 1529139985 ZXTBRKHWHLJYNC-OAHLLOKOSA-N 318.396 2.671 0 50 DFAA CCc1nn(C)c(NC(=O)c2ccc(OC)c(F)c2)c1CC 1529138457 CHSHLLMMHBHSKD-UHFFFAOYSA-N 305.353 2.945 0 50 DFAA O[C@H]1C[C@@H]2CN(C3CCN(c4ccc(F)c(F)c4)CC3)C[C@@H]2C1 1800412333 YFHNERCFWFUXQP-VIKVFOODSA-N 322.399 2.636 0 50 DFAA CCC[C@H]1CN(C(=O)c2ccc(CSC)o2)C[C@@H]1N(C)C 213207744 WXHGZVKYPGQQDM-JSGCOSHPSA-N 310.463 2.945 0 50 DFAA COc1ccccc1[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1C(=O)O 216421086 OEHASSNHFISYNE-CABCVRRESA-N 317.385 2.512 0 50 DFAA CC(C)(C)OC(=O)N1CC2=C(C1)CN(C(=O)OC(C)(C)C)C2 118566790 DLOGCMDQCAJYFN-UHFFFAOYSA-N 310.394 2.784 0 50 DFAA O=C(c1ccco1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 16469606 HSAFHOMZOHMVET-UHFFFAOYSA-N 324.336 2.624 0 50 DFAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 16606021 YKYITQWWUNHOFC-ZDUSSCGKSA-N 308.397 2.584 0 50 DFAA C[C@@H](CN1CCOCC1)OC(=O)c1ccc(Cl)cc1Cl 19799430 AIKMXEUUCZWDSN-JTQLQIEISA-N 318.200 2.871 0 50 DFAA Cc1nn2c(nnc3c(=O)[nH]ccc32)c1-c1cccc(Cl)c1 19962764 WZGLMOVVDJNQEO-UHFFFAOYSA-N 311.732 2.595 0 50 DFAA Cc1nn(C)cc1C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 363530108 MCFSYZZOCCBKQP-UHFFFAOYSA-N 309.373 2.988 0 50 DFAA O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CC(O)(C2CC2)C1 408323171 YBDWNDYBGQJLEJ-UHFFFAOYSA-N 308.740 2.557 0 50 DFAA Cc1csc(-c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)O)cc2)n1 225458248 DBGCMYBFQXMAAM-NWDGAFQWSA-N 302.355 2.778 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)O 4241298 JPNHKKRLLDYCIZ-KGLIPLIRSA-N 305.374 2.939 0 50 DFAA in-vitro CC(C)(C)NC[C@H](O)COc1ccc(Br)cc1 4279510 BEYIXVQIKUZLIL-NSHDSACASA-N 302.212 2.577 0 50 DFAA CC(C)n1cncc1CN1CCC[C@H]1c1ccc(N(C)C)nn1 643708207 QEWVWFHYCCZRRW-INIZCTEOSA-N 314.437 2.657 0 50 DFAA C[C@H]1CCO[C@H](C(=O)NCc2cccc(-c3cnn(C)c3)c2)C1 341454529 NGZLBIMADMJLBN-GUYCJALGSA-N 313.401 2.518 0 50 DFAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(C(C)C)c(Cl)c2)C1 345263703 QSJDXESJJIFSSS-STQMWFEESA-N 311.809 2.685 0 50 DFAA Cc1noc(Cc2ccc(NCc3nnc4n3CCCC4)cc2)n1 901452371 KWOROGJVGCDRSO-UHFFFAOYSA-N 324.388 2.509 0 50 DFAA Nc1ccc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)nn1 904376659 WOAFNBGQKLBUTD-ULQDDVLXSA-N 310.401 2.553 0 50 DFAA O[C@H](CNC1CCN(C2CCC2)CC1)c1cc(F)ccc1F 819353551 DMDRMKVVMKDCDN-QGZVFWFLSA-N 310.388 2.605 0 50 DFAA O=C(c1cc(F)cc2ccoc12)N1CCC[C@@H](n2cncn2)C1 931992455 REXMOXNSRVYZHO-CYBMUJFWSA-N 314.320 2.641 0 50 DFAA CC[C@@H](C)CC[C@@H](O)CC(=O)N1CCC12CCC(CO)CC2 2325741203 PZCZTSIMQGSBIG-JBCIKUTRSA-N 311.466 2.717 0 50 DFAA O=C(O)CC1CC(CNC(=O)c2cncc3sccc23)C1 2325765624 UNOIASCRIXCHDU-UHFFFAOYSA-N 304.371 2.527 0 50 DFAA C[C@H]1Cc2c(Cl)cccc2[C@@H]1N=c1ccnc(N(C)C)[nH]1 2325824779 PVOUCAXZSYUGDK-ZUZCIYMTSA-N 302.809 2.963 0 50 DFAA O=Cc1ccc(CC(=O)Nc2ccc3c(c2)NC(=O)CCC3)cc1 2325899761 VMWPPPVMWCGKQI-UHFFFAOYSA-N 322.364 2.955 0 50 DFAA COc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccs1 4867774 DXBLEBGUTPQQHG-UHFFFAOYSA-N 324.789 2.665 0 50 DFAA COc1ccc2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 6484761 GLYPKDKODVRYGP-UHFFFAOYSA-N 321.332 2.914 0 50 DFAA endogenous,in-man O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1coc2ccccc12 344717437 QTOJMEWNRSIQGG-YESZJQIVSA-N 301.386 2.795 0 50 DFAA O=C(CCCn1cnc2ccccc2c1=O)N1CCCCCC1 9187091 SXMKWGKUFJUXOF-UHFFFAOYSA-N 313.401 2.579 0 50 DFAA C[C@@H](CCCC(C)(C)O)Cc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]1 55100509 VIEZJPUIYSOMJQ-JTQLQIEISA-N 316.405 2.852 0 50 DFAA Cc1cccc([C@@H](C(=O)NCCc2ncccc2C)N(C)C)c1 65370281 WCEGYMBKDZGFMN-SFHVURJKSA-N 311.429 2.660 0 50 DFAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 57261821 KVTISTGKVCDCDJ-LLVKDONJSA-N 323.824 2.958 0 50 DFAA O=C(N[C@H](CC(F)F)c1ccccc1)c1cc2n(n1)CCCO2 421697653 FLFSVBRZFJTCRM-GFCCVEGCSA-N 321.327 2.792 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(Cl)c[nH]2)c1 282404293 HSGFHXYUZCPABQ-DOMZBBRYSA-N 320.776 2.625 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2coc(C)c2)c1 282454889 KGLNWIUDNCFGEP-GOEBONIOSA-N 301.342 2.545 0 50 DFAA c1cnn(Cc2ccc(CN3CC[C@]4(CCCNC4)C3)cc2)c1 67956007 SDFUUTJYQNFRSM-IBGZPJMESA-N 310.445 2.507 0 50 DFAA CC[C@@]1(C(=O)Nc2cnn(-c3ccccc3F)c2C)CCCN1 423824845 KATPETYFDWQTGX-KRWDZBQOSA-N 316.380 2.791 0 50 DFAA Cc1cc(C)n(C[C@@H](C)NCc2noc(C3CCCC3)n2)n1 67649801 MHWMFBLQCRTCIJ-GFCCVEGCSA-N 303.410 2.719 0 50 DFAA CC[C@@H](C(=O)NC1CCCCC1)N1CC(n2nc(C)cc2C)C1 65375521 NRMDVMNYJABKKH-KRWDZBQOSA-N 318.465 2.584 0 50 DFAA CC(C)c1ncc(Cl)c(-c2nc(Cc3cncn3C)no2)n1 328593756 FKJXUKUULJHYCA-UHFFFAOYSA-N 318.768 2.628 0 50 DFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1c1cccc(Cl)c1 253369470 CWWDCFNLMWBITE-SAXRGWBVSA-N 307.777 2.813 0 50 DFAA c1csc(-c2nn3c(CN4CCCCC4)nnc3s2)c1 39389263 PUAFPRNHBSHROP-UHFFFAOYSA-N 305.432 2.900 0 50 DFAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCc1nnc[nH]1 153051149 UNYIHQLNHAQLPQ-NSHDSACASA-N 321.450 2.845 0 50 DFAA Cc1cccc(C)c1C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 283738191 XEYCEDVDVUJJEI-DOTOQJQBSA-N 317.429 2.601 0 50 DFAA CC(C)n1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1 331619531 OOAGMTYKFFBRHN-GDBMZVCRSA-N 317.364 2.551 0 50 DFAA Cc1cc(F)cc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 155118660 WSISGSRKEUZHAH-UHFFFAOYSA-N 300.289 2.717 0 50 DFAA c1ccc(CN2CCC[C@H]3CN(c4cnccn4)CC[C@@H]32)cc1 133884946 GIFYVXWVIATAFK-ROUUACIJSA-N 308.429 2.968 0 50 DFAA O=C(O)CCCCN1CCC(C(=O)Nc2ccccc2)CC1 262235167 MZAMUQCZAUAAIZ-UHFFFAOYSA-N 304.390 2.592 0 50 DFAA Cn1c(CN2CCCC[C@H]2C(=O)O)nc2cc(Cl)ccc21 158356114 LQARWCUWYPKEBF-ZDUSSCGKSA-N 307.781 2.666 0 50 DFAA CCc1cc(N[C@@H](CC)Cn2ccnc2)n2nc(C)c(C)c2n1 72407569 HDLLZKUVNKANBQ-HNNXBMFYSA-N 312.421 2.996 0 50 DFAA S=C(Nc1cccc(Cl)c1)N1CCC2(CC1)OCCO2 13784691 HEMCDYAJIVURLZ-UHFFFAOYSA-N 312.822 2.876 0 50 DFAA CC(C)Cn1ncnc1CN[C@@H](C(C)C)C1(CO)CCCC1 459520214 CVMFHUOIRWZNMK-INIZCTEOSA-N 308.470 2.601 0 50 DFAA O=C(c1c[nH]c2ccncc2c1=O)N1CC[C@H](c2ccccc2)C1 342245242 QHSSLIRCEGMHEY-AWEZNQCLSA-N 319.364 2.553 0 50 DFAA O=S(=O)(c1cnn[nH]1)[C@H]1CCc2c(Cl)cc(Cl)cc21 133441540 JRYDFOSABUTCLE-JTQLQIEISA-N 318.185 2.573 0 50 DFAA O=C(Nc1ccccc1)Oc1ccc(N2C(=O)C=CC2=O)cc1 196333890 FLMJKAYWSNAGDG-UHFFFAOYSA-N 308.293 2.727 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 135733786 PMNXEXMMLCDUGS-DDHJSBNISA-N 301.342 2.575 0 50 DFAA Cc1cc(C)cc(N2CCC(NC[C@H]3CCCNC3)CC2)c1 426573144 NBPCHNHFOCIWHT-KRWDZBQOSA-N 301.478 2.861 0 50 DFAA O=C(c1ccccc1-n1ccnn1)N1CC2(CCC2)[C@H]1C1CC1 291817702 DQKYAEFEUBITDX-MRXNPFEDSA-N 308.385 2.672 0 50 DFAA CCCc1nnc(N2CCN(c3cccc(C)c3C)CC2)o1 95386696 JJULTWFLORLCFV-UHFFFAOYSA-N 300.406 2.966 0 50 DFAA CCn1ccc(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95368950 MYWUBVUKSLWJPL-INIZCTEOSA-N 313.401 2.981 0 50 DFAA CC1(C)CC[C@@H](CN2CCC(OC[C@H]3CCCCO3)CC2)O1 184661488 XTLCUSWNPXFAPV-DLBZAZTESA-N 311.466 2.994 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)ccn1 280169077 SBZGBKRFENPLLR-AWEZNQCLSA-N 315.348 2.608 0 50 DFAA CCN(CCc1nc2cc(F)ccc2[nH]1)Cc1nnc(C)s1 299790650 BQRDKLPXNDQWKN-UHFFFAOYSA-N 319.409 2.927 0 50 DFAA O=C(CCn1cnc2ccccc21)NCCSC(F)(F)F 299109113 WFVGUBZBIBIHHP-UHFFFAOYSA-N 317.336 2.796 0 50 DFAA C=Cc1ccc(NC(=O)N2CCN(CCSC)CC2)cc1 299787349 SVSGCSULLIAAIC-UHFFFAOYSA-N 305.447 2.842 0 50 DFAA Cc1ocnc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 584901010 DLKZMSHUFSRTTB-HNNXBMFYSA-N 317.364 2.689 0 50 DFAA Cc1cc(C(=O)N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(C)cn1 1875284466 VIVDLCURTGJDBR-IRXDYDNUSA-N 321.424 2.907 0 50 DFAA Cc1ccccc1CN=c1ccc2nnc(-c3ccncc3)n2[nH]1 1875360931 MJFYAKGHWYEULW-UHFFFAOYSA-N 316.368 2.529 0 50 DFAA Clc1ccc2nnc(CNc3nc(C4CC4)ns3)n2c1 874435486 VFTDGQGKSXNCAA-UHFFFAOYSA-N 306.782 2.724 0 50 DFAA O[C@@H](CN1CCCC[C@@H]1c1ncccn1)c1ccccc1F 952880488 GHQNPOWQDCMTPV-CVEARBPZSA-N 301.365 2.876 0 50 DFAA Cn1cc(Cl)c(C(=O)Nc2cccc(-c3cnc[nH]3)c2)n1 952981698 OMRHUZAWFRLOTH-UHFFFAOYSA-N 301.737 2.716 0 50 DFAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cccnc2C)C1 888103016 ZOLFBHXIDHYMRF-CVEARBPZSA-N 300.406 2.692 0 50 DFAA O=C(NC[C@@H]1CC12CCOCC2)N(Cc1ccoc1)C1CC1 894321129 DJYYPDGDAUARPG-AWEZNQCLSA-N 304.390 2.770 0 50 DFAA c1cc(CCCc2noc([C@H]3CCc4nn[nH]c4C3)n2)cs1 1775960505 OUKMDAHBYBPYSE-NSHDSACASA-N 315.402 2.697 0 50 DFAA O=C(O)[C@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)C[C@@H]1C1CC1 1565514324 JLZUZVSJAPHGAP-OLZOCXBDSA-N 317.414 2.681 0 50 DFAA Cc1cccc(C[C@@H](CO)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 282042362 LCGCAMNXTVPTNG-CABCVRRESA-N 311.372 2.840 0 50 DFAA COC[C@@H]1CN(c2ncnc3ccc(C(C)C)cc23)CCO1 408518453 JABYXOCZSSUBCS-AWEZNQCLSA-N 301.390 2.605 0 50 DFAA Cc1cccc(CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 110767466 FOAQBNBGFILJKC-MRXNPFEDSA-N 324.428 2.870 0 50 DFAA CCC(CC)C(=O)N1CCC(N[C@H](C)c2cc(C)n(C)n2)CC1 225732410 SIVJVUHVHBHWAP-CQSZACIVSA-N 320.481 2.806 0 50 DFAA CC(C)C[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2)o1 189844904 BYZLHUJCCMKSET-OAHLLOKOSA-N 313.401 2.688 0 50 DFAA C=CC(=O)N[C@@H](CNC(=O)c1ccsc1)c1ccccc1 685944823 AWLFANLYPVSXTP-AWEZNQCLSA-N 300.383 2.521 0 50 DFAA CN1CCCN(C(=O)c2ncc(F)cc2F)c2ccccc21 192335352 LIAZSMVPBVGFND-UHFFFAOYSA-N 303.312 2.847 0 50 DFAA O[C@@H](c1ncc[nH]1)C1CCN(c2ncc(Cl)cc2F)CC1 795172342 SJQNBTIROGYTGQ-GFCCVEGCSA-N 310.760 2.547 0 50 DFAA Cc1cnnc(N2CCN(Cc3ccc(F)cc3)CC2)c1C 1857672638 VGKRJAKCHURYRD-UHFFFAOYSA-N 300.381 2.555 0 50 DFAA Cc1cc(N2CCCN(c3nc(C)nc4cc[nH]c34)CC2)ccn1 1857704104 DPXDMRFGCZKPAL-UHFFFAOYSA-N 322.416 2.686 0 50 DFAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCC2(CCCO2)CC1 1857735313 CINIQPALDXORGY-IAGOWNOFSA-N 314.429 2.651 0 50 DFAA CCOC(=O)[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(Cl)cc1 225417725 IBDMHUYQIGXKOC-CORIIIEPSA-N 311.809 2.959 0 50 DFAA CC(=O)NC(=S)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226351125 VNPWKHBTTPJGTR-UHFFFAOYSA-N 318.354 2.786 0 50 DFAA CCC(CC)N(C(=O)c1cnc2ccc(OC)nn12)C1CC1 667889159 SHIWQBDPQTXTQQ-UHFFFAOYSA-N 302.378 2.531 0 50 DFAA Cc1cccc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)c1 254821145 RPIVNTNOUBGVIM-UHFFFAOYSA-N 323.377 2.576 0 50 DFAA O=C(N[C@H]1CCN(c2ncccc2F)C1)c1ccc2[nH]ccc2c1 153694756 JTUXTXOPURTMDM-AWEZNQCLSA-N 324.359 2.711 0 50 DFAA OC1(Cc2ccccn2)CCN(Cc2c(F)cccc2F)CC1 585116132 IDIUPYKMYNOWGD-UHFFFAOYSA-N 318.367 2.929 0 50 DFAA O=C(c1cccn2ccnc12)N1CCCC[C@H]1C1CCOCC1 2325791572 QMYQMYZVZNUQOG-INIZCTEOSA-N 313.401 2.756 0 50 DFAA CCn1c(SC(C)C)nc2cc(C(=O)OC)ccc2c1=O 543085 ISRAHFIZHXKPKP-UHFFFAOYSA-N 306.387 2.704 0 50 DFAA Cc1cnn(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c1 2776904 OICKUSFUXQVVFZ-UHFFFAOYSA-N 317.299 2.738 0 50 DFAA O=C(OC[C@@H](O)CN1CCCCC1)C12CC3CC(CC(C3)C1)C2 4338369 RKIUOBASPHAKIY-WCWCZOKXSA-N 321.461 2.593 0 50 DFAA COc1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 6726117 UNUXBBBTVNXAJK-UHFFFAOYSA-N 305.399 2.791 0 50 DFAA CC(C)N1C[C@H]2[C@@H](C1)OC(=O)N2CCc1cccc(Cl)c1 12112131 BFUVFPZYOHTLOK-LSDHHAIUSA-N 308.809 2.796 0 50 DFAA CCOc1c(CNC[C@H](O)c2ccccc2)cccc1OC 19872128 LFLGSAXUTTUGAE-INIZCTEOSA-N 301.386 2.917 0 50 DFAA O=C(O)/C=C\C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 29060764 OASSLTKLNUAPCY-KTKRTIGZSA-N 310.309 2.518 0 50 DFAA CC[C@H](CNC(=O)CCc1nc(-c2ccccc2C)no1)OC 65394331 LAAZDVVQTZHIPF-CYBMUJFWSA-N 317.389 2.519 0 50 DFAA COc1ccc(C)cc1-n1c(SCC(=O)O)nnc1C1CC1 65423517 FIZAKZHHWVQRHR-UHFFFAOYSA-N 319.386 2.638 0 50 DFAA CCc1c(C(=O)N2CCC[C@@]3(CCNC3)C2)[nH]c2ccccc12 67789616 GJYGKVWLYCYMFT-IBGZPJMESA-N 311.429 2.946 0 50 DFAA CN(CCCc1cnn(C)c1)C(=O)c1ccc2ccccc2n1 67805850 GLEWLVLYZBPZIT-UHFFFAOYSA-N 308.385 2.673 0 50 DFAA C[C@H](C1CCN(c2nc(-c3ccccc3)no2)CC1)N(C)C 77438211 UIRSFUZJAIJTJZ-CYBMUJFWSA-N 300.406 2.903 0 50 DFAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)OC)cc1 82139047 XIVMBFSXMTUYCQ-INIZCTEOSA-N 319.401 2.895 0 50 DFAA O[C@]12CCNC[C@H]1CN(Cc1cccc(-c3ccccc3)c1)CC2 91288554 JAKRMXSVFYWABM-SFTDATJTSA-N 322.452 2.900 0 50 DFAA Cc1cc(N2CC[C@@]3(CCCN(C)C3=O)C2)c2ccccc2n1 95391499 GHELWMQPEKOAME-IBGZPJMESA-N 309.413 2.992 0 50 DFAA CCc1cc(C(=O)NCCc2c[nH]c3c(C)cccc23)cc(=O)[nH]1 97601097 YYPJSGKNGNNJGD-UHFFFAOYSA-N 323.396 2.700 0 50 DFAA Cn1c(CN2CCO[C@H](c3cccnc3)C2)nc2ccccc21 97775593 OIVZOEPXAGWCLV-KRWDZBQOSA-N 308.385 2.542 0 50 DFAA C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)Nc1nccs1 115553524 NFFRTVDQSBEQFB-GXTWGEPZSA-N 301.415 2.960 0 50 DFAA CCCn1ccc(CNC(=O)c2cccc(C[S@](C)=O)c2)c1 170614360 ZRNKIUMIGVQJLR-QFIPXVFZSA-N 318.442 2.707 0 50 DFAA CC(C)=C[C@@H]1[C@H](C(=O)NCc2nnc(S)n2C2CC2)C1(C)C 170623290 KZEMBYVXXHVOJO-DGCLKSJQSA-N 320.462 2.756 0 50 DFAA CC(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)nc1 179055588 PINRHTBITVQQBI-STQMWFEESA-N 305.422 2.584 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCc1cc2ccccc2[nH]1 182554802 SOYFYTMPJDPUAJ-NSHDSACASA-N 310.401 2.970 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)Nc1cc(C2CCCCC2)nn1C 188406196 ZGPXMNDCTDYELG-UHFFFAOYSA-N 315.421 2.989 0 50 DFAA O=C(Cc1ccsc1)NC[C@@H]1CCN(Cc2ccccc2)C1 193779011 UIBGPKZBWCSOBB-KRWDZBQOSA-N 314.454 2.929 0 50 DFAA Cn1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 195558553 FWEIODZMNMADQD-OAHLLOKOSA-N 307.438 2.904 0 50 DFAA O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(CO)cc1 216470698 KUIKZDZHXRCALV-GOSISDBHSA-N 321.380 2.547 0 50 DFAA C[C@H](c1ccc2ccccc2c1)N1CCO[C@@H](Cn2cncn2)C1 229499488 IVGRXQYHFUNSOK-DNVCBOLYSA-N 322.412 2.893 0 50 DFAA C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(CN)o1 237573338 HMEBTEKRXIBCSL-AAEUAGOBSA-N 302.349 2.896 0 50 DFAA Cc1nn(C)c(C)c1OCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 239882288 DAXYRZLVOVHTCZ-KCPJHIHWSA-N 305.422 2.595 0 50 DFAA 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CKPICNYXRBJOFI-CXAGYDPISA-N 315.417 2.945 0 50 DFAA CN(C)C(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 707847329 HFBLYSOFWCWLRW-XDNAFOTISA-N 313.445 2.510 0 50 DFAA CNC(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 827448190 QAVTWNRDCDGNSB-UONOGXRCSA-N 315.398 2.785 0 50 DFAA COc1cnc(C(=O)N2CC[C@@H](c3ccccc3)C2)c(F)c1 865050241 CBORELGXJWJNFX-CYBMUJFWSA-N 300.333 2.859 0 50 DFAA COc1cc(Cl)ccc1-c1nnc([C@@]2(OC)CCOC2)o1 886082231 NSFNFXMBXPAQGP-CQSZACIVSA-N 310.737 2.661 0 50 DFAA CCCc1cccc(CN2CCC3(CC2)CO[C@H](CN)C3)c1 904393545 XEZNZNYGRXXCNC-SFHVURJKSA-N 302.462 2.969 0 50 DFAA CC(C)c1nc(C[S@@](=O)Cc2nc3ccccc3[nH]2)no1 905184327 MDRHFLIVCXGLQC-NRFANRHFSA-N 304.375 2.518 0 50 DFAA Cc1nonc1CN1CCC[C@H]1c1cncc(Br)c1 932250618 ZPJKQKDCFDYFFJ-ZDUSSCGKSA-N 323.194 2.873 0 50 DFAA O[C@H](c1cccs1)C1CCN(CCCn2ccnc2)CC1 1529155422 SHJRQWFJGIAKEA-INIZCTEOSA-N 305.447 2.780 0 50 DFAA O=C(O)[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1C1CC1 1565528923 FOHASQFXTXPMJR-NEPJUHHUSA-N 323.776 2.611 0 50 DFAA 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Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 312513 FHBJDEZIDPEKEJ-OAHLLOKOSA-N 323.396 2.998 0 50 DFAA C[C@@H]1C[C@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 246802533 BGJAKLNNECPBCC-RKFYDKJMSA-N 308.422 2.689 0 50 DFAA Cc1cccc(OCC(=O)Nc2ccc(CC(=O)O)cc2)c1C 4843075 MRSSZAMAKUJMRN-UHFFFAOYSA-N 313.353 2.948 0 50 DFAA O=C(COCc1cc(-c2ccco2)on1)NCc1cccs1 6876652 JIXRIQRLIJMWMJ-UHFFFAOYSA-N 318.354 2.829 0 50 DFAA O=C(NCCc1c[nH]cn1)c1cccc(-c2ccc(O)cc2)c1 55413200 GQWKNGOGYHMWEU-UHFFFAOYSA-N 307.353 2.755 0 50 DFAA COc1ccc(Cn2ccnc2-c2ccccc2OCCO)cc1 67772923 CAQHZIHRIYSOEF-UHFFFAOYSA-N 324.380 2.978 0 50 DFAA CCc1nnc([C@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 229296054 KUWVUGJFXXNHRM-CMPLNLGQSA-N 317.393 2.833 0 50 DFAA O=C1C[C@H](c2ccccc2C(=O)O)c2cc3cn[nH]c3cc2N1 67909097 OXTDXADUCPQDHT-GFCCVEGCSA-N 307.309 2.735 0 50 DFAA CC[C@@H](C)N(C)C(=O)c1cc(COc2ccccc2OC)[nH]n1 67785465 SIBPUEXTJSHDTH-GFCCVEGCSA-N 317.389 2.868 0 50 DFAA C[C@@H]1CCO[C@@H]1C(=O)N1CCn2cccc2[C@H]1c1ccccc1 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NJNRLAYMOYUQQT-ZDUSSCGKSA-N 316.382 2.665 0 50 DFAA CC(=O)NCc1ccc([C@@H]2CCCN2c2ncc(C)c(C)n2)o1 372528824 IIWPTZDIPRYFQO-HNNXBMFYSA-N 314.389 2.664 0 50 DFAA Cn1cc([C@@H]2CN(CC/C=C/c3ccccc3)C[C@H]2CO)cn1 450854558 DDMNMACFAKMBIS-FQMXMGHCSA-N 311.429 2.531 0 50 DFAA c1ccc([C@@H]2CN(c3nccn4cnnc34)[C@H]3CCC[C@@H]32)cc1 376175646 YBNKLFWIVVRPHG-PMPSAXMXSA-N 305.385 2.897 0 50 DFAA C[C@]1(Cc2ccccc2)CCCN1Cc1ncnn1CCF 241338542 MBNIDPWYFOEOKE-QGZVFWFLSA-N 302.397 2.845 0 50 DFAA Cc1ccccc1CS(=O)(=O)NC[C@@H](C(C)C)N1CCCC1 49736771 LVTWUESIGAZHGQ-KRWDZBQOSA-N 324.490 2.535 0 50 DFAA C[C@@H](CNC(=O)N1CCN(c2cccnc2)CC1)c1ccccc1 426526434 PFVHAQAWYFMTBO-INIZCTEOSA-N 324.428 2.717 0 50 DFAA O=C([C@@H]1Cc2ccccc2S1)N1CCC(c2cc[nH]n2)CC1 426526098 LVHBVAKPWRHQAR-INIZCTEOSA-N 313.426 2.833 0 50 DFAA COCCC[C@@]1(CO)CCCN(C(=O)c2ccc(Cl)o2)C1 91987625 ZHBLZKBSDXOYFL-HNNXBMFYSA-N 315.797 2.574 0 50 DFAA CCN(CC)CCN(CC)C(=O)c1nc2cc(C)ccn2c1F 97370249 AGXALMHJIZCNOH-UHFFFAOYSA-N 320.412 2.586 0 50 DFAA 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FRAUTAHCVBKCIF-UHFFFAOYSA-N 312.402 2.700 0 50 DFAA CC(=O)N(C)c1ccc(CNC(=O)c2ccc3c(c2)CCN3)cc1 877020119 LNDKZVJGKJYSOO-UHFFFAOYSA-N 323.396 2.567 0 50 DFAA COCCCCS(=O)(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952887657 UUOQGSMGNPNXHL-HNNXBMFYSA-N 311.447 2.826 0 50 DFAA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N[C@@H]2c1ccccc1 72194265 DQYJJBNLPZSFIG-CQSZACIVSA-N 316.401 2.875 0 50 DFAA in-vitro C[C@H]1CN(c2ncc(Cl)cc2F)CCN1c1ccncc1 882821429 VIFYDBWQOMURNR-NSHDSACASA-N 306.772 2.984 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(F)c(F)cc2F)C1 888079265 PWRVGCIGUSSPKR-QMTHXVAHSA-N 311.307 2.789 0 50 DFAA Clc1nccn1C[C@H]1CN(Cc2ccccc2)CCCO1 1775990445 GCDUOKFCGYEDPV-OAHLLOKOSA-N 305.809 2.828 0 50 DFAA C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc([S@](C)=O)cc1 170621301 NQBOFHVMVPFCOG-XNVILDLWSA-N 323.458 2.749 0 50 DFAA C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccn2ccnc2c1 187715392 XZFPKVNTLPQSQQ-GFCCVEGCSA-N 324.388 2.824 0 50 DFAA O=C(c1csc(CO)n1)N1CCC[C@@H]1Cc1ccc(F)cc1 585135351 CTJNKSQWGYWYNZ-CYBMUJFWSA-N 320.389 2.622 0 50 DFAA CC(C)Oc1ccc(CCNC(=O)CNc2ccccn2)cc1 585121002 BKPFICKZCAFPGD-UHFFFAOYSA-N 313.401 2.640 0 50 DFAA Cc1oc(C(C)C)cc1C(=O)N1CCC[C@@H](c2nnc(N)o2)C1 636197984 OOTKCONEDBYXFM-LLVKDONJSA-N 318.377 2.696 0 50 DFAA CCOc1cc(N[C@@H]2CCOc3cc(OC)ccc32)ncn1 681234198 PEGGBNLYOIFKNH-CYBMUJFWSA-N 301.346 2.820 0 50 DFAA O=C(NCCF)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 408519600 BFPSUMKWFNMCES-CQSZACIVSA-N 319.298 2.740 0 50 DFAA CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)[C@@H]1CCO[C@@H]1C 194620821 LMDQXASSEABJNJ-POUQZMQPSA-N 323.458 2.522 0 50 DFAA CCn1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc21 195192912 YFPADNBVRCNQKW-GFCCVEGCSA-N 300.358 2.598 0 50 DFAA CC[C@@H](NC1CCN(Cc2ccco2)CC1)c1ccnn1C 1506408422 YCGTWVVUJFWXEY-MRXNPFEDSA-N 302.422 2.718 0 50 DFAA CN1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 556325 QRWIYNQYPNVHAH-CMDGGOBGSA-N 311.385 2.683 0 50 DFAA Cc1cc(N2CCC[C@H]2c2ccc(CN(C)C)cc2)nc(N)n1 1529197482 QTYOUWSDJAWKPF-INIZCTEOSA-N 311.433 2.770 0 50 DFAA O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1O 191278 IQXLVAXSQBGKFW-UHFFFAOYSA-N 318.126 2.955 0 50 DFAA Fc1cc(Cl)cc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c1 1529168773 KYMGKAJUJYRICZ-IAGOWNOFSA-N 324.827 2.774 0 50 DFAA Cc1ccc(C)c(OCCNc2ncc(C)c(N(C)C)n2)c1 1529167521 MTZLBDAUUNSXDS-UHFFFAOYSA-N 300.406 2.959 0 50 DFAA Cc1ccc(N2CCC3(CC2)OCCc2sccc23)nn1 1704316014 SKDXDKPIEUPCTQ-UHFFFAOYSA-N 301.415 2.915 0 50 DFAA CCOc1ccc(CN2CC[C@H]([C@@H]3CCCO3)[C@@H]2C(=O)O)cc1 1616036606 ZBFGEPDMNAIIJV-IXDOHACOSA-N 319.401 2.539 0 50 DFAA CC(C)CNc1ccc(C(=O)NCC[C@@H]2CCCCN2C)cn1 11952170 RRYVFVIBZFVQOR-INIZCTEOSA-N 318.465 2.754 0 50 DFAA COc1ccc(CN2CCN(CC(C)(C)C)CCC2=O)cc1 12456716 BECXIOSBRCLPLL-UHFFFAOYSA-N 304.434 2.776 0 50 DFAA O=C(NC[C@H]1CCCN(Cc2ccsc2)C1)c1ccco1 12706988 FFSVSTJJXVQUNU-CYBMUJFWSA-N 304.415 2.983 0 50 DFAA CCc1nnc(SCC(=O)Nc2ccccc2OC)n1CC 13945013 YKZQDMFARPMEEB-UHFFFAOYSA-N 320.418 2.600 0 50 DFAA CC[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc(C)cc1C 18222588 LSJSIJNELCXTKL-LLVKDONJSA-N 305.407 2.513 0 50 DFAA Cc1cc(CN(C)[C@@H]2CCC(=O)N(CCC(C)C)CC2)on1 19739803 VDEYFTSAQONZLK-OAHLLOKOSA-N 307.438 2.842 0 50 DFAA CC(C)[C@@H](CO)n1cnc2c(C(F)(F)F)cccc2c1=O 200542322 MHYPKHSKMDUPOO-LLVKDONJSA-N 300.280 2.605 0 50 DFAA CCc1nnc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)o1 1857527744 UBYFYYKRWIVPSP-OAHLLOKOSA-N 300.406 2.733 0 50 DFAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccc(OC)nc1 1857677168 YNEKHMBQZGYPCU-HDMKZQKVSA-N 318.417 2.786 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@H]1N 237149248 OGAXALANOUSIQJ-WCQYABFASA-N 300.324 2.791 0 50 DFAA Cn1cc(S(=O)(=O)N2CC(C)(C)C[C@H]2c2ccccc2)cn1 331692234 YLODIRREUJUDBM-HNNXBMFYSA-N 319.430 2.582 0 50 DFAA CCO[C@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1 133501712 HLPQMTNHCPWEEH-BZSNNMDCSA-N 311.381 2.539 0 50 DFAA O=C(O[C@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12 253533757 UKTAZPQNNNJVKR-ZSZSROOQSA-N 324.380 2.519 0 50 DFAA in-vitro Cn1cc(CNCCCO[C@@H]2CCCCO2)c(C(C)(C)C)n1 585118475 QBYMGJOVBCLFGM-OAHLLOKOSA-N 309.454 2.741 0 50 DFAA O=C(O)c1ccccc1CC1CCN(C(=O)c2ccc[nH]2)CC1 263079332 RYEUQUBMNMYLQI-UHFFFAOYSA-N 312.369 2.808 0 50 DFAA COCCCCC(=O)NCCNc1ccc2ccccc2n1 266427655 CLKGFTZTGMOPLQ-UHFFFAOYSA-N 301.390 2.580 0 50 DFAA O=C(O)Cc1ccccc1CN1CC[C@@H](Cc2nccs2)C1 903956833 ICIDTWUQELIDAF-ZDUSSCGKSA-N 316.426 2.835 0 50 DFAA Cc1ccc(C(=O)N(CC(F)F)C[C@@H](C)O)c2ncccc12 821851178 DTDNMTMKCIXAHA-LLVKDONJSA-N 308.328 2.631 0 50 DFAA CC1(C)CCN(C(=O)NCCc2cnccn2)CC(C)(C)C1 853959869 JWSPPIJPUYYVJD-UHFFFAOYSA-N 304.438 2.877 0 50 DFAA Cc1ncsc1CN[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 888099239 XKWDKDVYCIVWRA-RWMBFGLXSA-N 323.462 2.797 0 50 DFAA COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2 1903846686 HPNSFSBZBAHARI-UHFFFAOYSA-N 320.341 2.733 0 50 DFAA Cc1cc2ccc(-c3cnc(N4CCC(O)CC4)nc3)cc2cn1 2325814560 DCJDSMZEUTYKSP-UHFFFAOYSA-N 320.396 2.961 0 50 DFAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1 389205 IMEILJCOTBAOGM-UHFFFAOYSA-N 313.744 2.689 0 50 DFAA Cc1cc(NS(=O)(=O)c2ccc(Br)s2)no1 470331 VYFXXAOWJPBNHC-UHFFFAOYSA-N 323.193 2.608 0 50 DFAA COc1ccc(NC(=S)N2C[C@@H](C)O[C@H](C)C2)cc1OC 611723 FQWSSOWFPWBKQM-GHMZBOCLSA-N 310.419 2.510 0 50 DFAA O=C(NCc1cccnc1)c1cccc(NC(=O)c2ccco2)c1 619430 SWTACZUZGJOFPF-UHFFFAOYSA-N 321.336 2.857 0 50 DFAA CN(Cc1ccc(-n2cccn2)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356144618 GIRVMKXLVOYBCH-AMBYYYRHSA-N 311.429 2.854 0 50 DFAA C[C@H](CN1CCCCC1)N1CC2(COc3ccccc3C2)C1 2356164949 NAPLSFDEHDICPL-MRXNPFEDSA-N 300.446 2.798 0 50 DFAA Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CCO 4002883 AIQORFMNLLZCLF-UHFFFAOYSA-N 310.806 2.559 0 50 DFAA CN(Cc1cccnc1)Cc1nc(Cc2ccccc2F)no1 55182511 GZMZGYBLMIGWQO-UHFFFAOYSA-N 312.348 2.827 0 50 DFAA CC1(C)CC(C(=O)N2CCN(c3ncccc3Cl)CC2)C1 352103258 ZENVIEFEIINJIS-UHFFFAOYSA-N 307.825 2.820 0 50 DFAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(F)cc2F)C1 100504610 OPXWDNGMLOBAQX-JSGCOSHPSA-N 316.351 2.746 0 50 DFAA Cc1noc([C@@H]2CCCN(C[C@@H](O)c3ccc(C)c(C)c3)C2)n1 229483037 BFMZSXUYBOYLNE-IAGOWNOFSA-N 315.417 2.908 0 50 DFAA CC(C)NC(=O)[C@@H](C)N1CCO[C@@H](c2ccccc2Cl)C1 229577578 PSMCGUNTOQZASH-IUODEOHRSA-N 310.825 2.626 0 50 DFAA CCc1nc(C)c(CN(C)C[C@@H]2COc3ccccc3O2)[nH]1 65371828 HFFDLPFDVJRWAE-CYBMUJFWSA-N 301.390 2.552 0 50 DFAA CCCc1nc(C)cc(NCc2nc3ccccc3c(=O)[nH]2)n1 65372570 BIVMUHYXWGPUKT-UHFFFAOYSA-N 309.373 2.586 0 50 DFAA CC(=O)N1CCC(N2CCC([C@H](O)c3cccs3)CC2)CC1 65375970 OPPJEXYLZBXWTR-KRWDZBQOSA-N 322.474 2.504 0 50 DFAA Fc1ccc(CN2CCN(c3ncccn3)CC2)c(Cl)c1 20534532 HCHYXUAOQBBIFT-UHFFFAOYSA-N 306.772 2.591 0 50 DFAA CC(C)n1cc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cn1 12093524 XLVFUHBIDVIPHY-HNNXBMFYSA-N 318.465 2.735 0 50 DFAA C[C@@H]1SCCN(C(=O)C[C@@H](N)C2CC2)[C@H]1c1ccccc1 328593462 YGSKOZWFBPDHCZ-XGWLTEMNSA-N 304.459 2.819 0 50 DFAA COC(=O)[C@@H](c1ccccc1)N1CCCN1C(=O)OC(C)(C)C 12336498 YOJFXLIKLDTSHK-CQSZACIVSA-N 320.389 2.759 0 50 DFAA FC(F)(F)c1cc(N2CC[C@H](c3ccco3)C2)n2ncnc2n1 360141313 POBQGRIYWMUCBW-VIFPVBQESA-N 323.278 2.730 0 50 DFAA OC1(Cc2ccc(F)cc2)CCN(CCc2ccccn2)CC1 360610933 ASIPCWZEHOCEAE-UHFFFAOYSA-N 314.404 2.833 0 50 DFAA CC(C)(C)CS(=O)(=O)N1CCC(Cc2cccnc2)CC1 331263205 FAJCNHJGYLWHJH-UHFFFAOYSA-N 310.463 2.712 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)[C@H]2CCN(C3CCCCC3)C2)o1 332821631 BDQWREMSVFGNSH-KGLIPLIRSA-N 305.422 2.815 0 50 DFAA CCNc1nc(C)c(C(=O)N[C@H]2COc3ccccc3C2)s1 215113274 OBIJNNLAWQJNGL-GFCCVEGCSA-N 317.414 2.617 0 50 DFAA CC(C)c1nc(CN2CCC(Oc3ncccn3)CC2)co1 216235980 QQTIPHLNGHUCPA-UHFFFAOYSA-N 302.378 2.631 0 50 DFAA Cc1n[nH]c2ncc(NC(=O)C[C@@H]3OCCc4ccccc43)cc12 174381627 JBXSUFLMSZGBLE-INIZCTEOSA-N 322.368 2.909 0 50 DFAA CC(C)(C)n1cc(CN[C@@H]2CCc3ccccc3OC2)nn1 370551354 GGKGEMPNLIVIGZ-CQSZACIVSA-N 300.406 2.517 0 50 DFAA CCc1cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)ccn1 219517859 GGPABLYIUKIXHD-UHFFFAOYSA-N 306.369 2.760 0 50 DFAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCCN(C(C)C)CC1 338210228 ZFAVALOJUGCWFN-CYBMUJFWSA-N 307.438 2.728 0 50 DFAA CCc1cc(N2CCC(CCO)CC2)n2nc(C)c(C)c2n1 72476557 STUUWKPWYIDPBX-UHFFFAOYSA-N 302.422 2.507 0 50 DFAA COc1cc(C(=O)O)cc(C(=O)N[C@H](C)c2ccc(C)nc2)c1 426523731 VJBAMPARVRYHIQ-LLVKDONJSA-N 314.341 2.588 0 50 DFAA CCN1CCC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 426494028 KPBXOJSHXONGKP-GOSISDBHSA-N 315.461 2.595 0 50 DFAA CCCc1nc(CN(CC)C(=O)NCc2ccccc2F)no1 426526936 QFSQZCKRQKEMCW-UHFFFAOYSA-N 320.368 2.893 0 50 DFAA Cc1[nH]nc(CCC(=O)N(C)CC[C@H](O)c2ccccc2)c1C 97594887 RNPAQJDDCXRYJT-KRWDZBQOSA-N 315.417 2.541 0 50 DFAA CC(C)(C)n1nc(C2CCOCC2)nc1-c1cccc(N)n1 97823618 YEFSPHMYCOZQKI-UHFFFAOYSA-N 301.394 2.571 0 50 DFAA CNCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C 91493200 QQCBLVKMXIUZKO-ZDUSSCGKSA-N 322.412 2.731 0 50 DFAA CCNc1ncc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cn1 96149220 MFQCTIQHNSXEGU-GFCCVEGCSA-N 324.306 2.942 0 50 DFAA COc1ccc(C2=CN(O)[C@@H]3CCCC[C@H]3[N+]2=O)c(OC)c1 334157202 AZOKRTSJKRWLMY-ZIAGYGMSSA-N 305.354 2.797 0 50 DFAA Cc1cc(C)c2c(c1)N(C(=O)C[C@H]1CSCCN1)CCC2 237617874 NIYKQLPXQNWVNT-AWEZNQCLSA-N 304.459 2.678 0 50 DFAA CCn1ccnc1[C@H]1CCCCN1Cc1cc(COC)on1 297293720 ABHSZPBKFKZZFY-OAHLLOKOSA-N 304.394 2.765 0 50 DFAA CC(C)N(C(=O)c1ccc(C(N)=O)cn1)[C@@H](C)c1ccccc1 297782780 JCLOVLJFIUEIOO-ZDUSSCGKSA-N 311.385 2.792 0 50 DFAA CC[C@](C)(CCNS(=O)(=O)C1CC1)c1ccccc1OC 534585963 XCFJCBJEMFXQSF-MRXNPFEDSA-N 311.447 2.835 0 50 DFAA CN1CCC[C@]2(CCN(c3nc4ccccc4s3)C2)C1=O 372490074 ILDNAAHXOWQPGY-MRXNPFEDSA-N 301.415 2.745 0 50 DFAA COc1ccc(C(=O)N(C)CCN(C)C2CCCC2)c(F)c1 584891887 MSPAPORUQIBPIX-UHFFFAOYSA-N 308.397 2.781 0 50 DFAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCc1ccccc1O 729340977 ISMBBFBJAYDZAG-INIZCTEOSA-N 315.417 2.752 0 50 DFAA Cc1ccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc1 823765988 NXULJSIEPMSXJD-UHFFFAOYSA-N 313.430 2.970 0 50 DFAA CC(C)[C@H](Nc1cc(=O)n(C)c(O)n1)c1ccc(F)cc1F 1875275360 CCHHDIXCMAPDAQ-AWEZNQCLSA-N 309.316 2.573 0 50 DFAA CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC[C@@H](Cc2nccs2)C1 1875276653 MEYPKQAVTDZQKJ-ZENOOKHLSA-N 323.462 2.675 0 50 DFAA O=C([C@H]1CSCCS1)N1CCCc2c1ccc1nc[nH]c21 1875275131 DITMUPPGFYHUII-CYBMUJFWSA-N 319.455 2.691 0 50 DFAA CN(C)c1cccc(C(=O)N2CCCC[C@H]2C2CCOCC2)n1 1875330631 WCKYXEQNNCHKFA-INIZCTEOSA-N 317.433 2.569 0 50 DFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)N(C)C1CC1 1875326869 PQJCCEBFFKOPOJ-IAGOWNOFSA-N 316.401 2.598 0 50 DFAA O=C([C@@H]1C[C@H]1c1ccsc1)N1C[C@]2(F)CCC[C@]2(C(=O)O)C1 1875404486 KPGBFYHQNNQTOE-UAXWRAGISA-N 323.389 2.657 0 50 DFAA Clc1cccc(OCc2n[nH]c(CC3CCNCC3)n2)c1 952872610 PWFVIUCKHVQIIN-UHFFFAOYSA-N 306.797 2.579 0 50 DFAA O=C(N[C@@H](c1ccccc1)C1(CO)CC=CC1)c1ccns1 1335967374 QCPFFYGBQHELEY-HNNXBMFYSA-N 314.410 2.943 0 50 DFAA O=C(Cc1cnccc1C(F)(F)F)N1C[C@H]2C[C@@]2(C(F)F)C1 1776008226 WDGFGVPYXDCIDX-NOZJJQNGSA-N 320.261 2.757 0 50 DFAA Cc1noc([C@H](NC(=O)NCc2ccc(C)c(C)n2)C(C)C)n1 1365401223 KGYBGJYYGAKEJV-CQSZACIVSA-N 317.393 2.586 0 50 DFAA O=C(C1Cc2ccccc2C1)N1CCCCC[C@H]1c1ncon1 277564139 AICLAZVXWVXGLN-INIZCTEOSA-N 311.385 2.928 0 50 DFAA CO[C@H](CN)CC(=O)N1CCC[C@@H]1c1cccc2ccccc12 278235950 KVXNQSDCMFECPE-MAUKXSAKSA-N 312.413 2.867 0 50 DFAA CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)N(C)C)cc1 170616595 UKZCWVYGLCJCDD-XJKSGUPXSA-N 320.433 2.705 0 50 DFAA COC(=O)c1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCOC1 280431007 BFJVSWPKAIVMAQ-ZETCQYMHSA-N 318.156 2.755 0 50 DFAA C[C@@H]1CN(CCOc2ccccc2Br)C[C@@H](C)O1 20167479 CDNZJYMKOWBWRX-VXGBXAGGSA-N 314.223 2.937 0 50 DFAA COc1c(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)cnn1C 412413999 FNFVGXCKJGITBG-AWEZNQCLSA-N 305.422 2.860 0 50 DFAA Fc1ccccc1CCCN[C@H](c1cccnc1)c1nnc[nH]1 225413368 UNSIWOSENXVLTN-MRXNPFEDSA-N 311.364 2.651 0 50 DFAA O=C(c1cc2occc2s1)N1CCC[C@@H]([C@H]2CCNC2)C1 646385482 SDDLXJVWZBLDTQ-NWDGAFQWSA-N 304.415 2.956 0 50 DFAA Cc1oncc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 585362975 PPBLISQAYWBCBG-UHFFFAOYSA-N 308.403 2.759 0 50 DFAA COc1ccc(F)cc1[C@@H](C(=O)O)N1CCC2(CCCO2)CC1 1529151267 AJPTWQTVFOAAMZ-HNNXBMFYSA-N 323.364 2.605 0 50 DFAA COc1cccc(C(=O)Nc2nnc([C@H](C)OC)s2)c1F 1529195174 GZCSKKLACGOFDL-ZETCQYMHSA-N 311.338 2.646 0 50 DFAA CC[C@@H](C(=O)Nc1ccnn1C1CCN(C)CC1)n1cccc1 1529112267 IGXYOLNXUUTNOC-HNNXBMFYSA-N 315.421 2.541 0 50 DFAA CC(=O)N[C@H]1CN(Cc2cccs2)C[C@@H]1c1ccc(C)o1 213031067 FIELEOUEJUTQGL-GJZGRUSLSA-N 304.415 2.754 0 50 DFAA C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1noc(C(F)F)n1 1615591035 SRNYIOSZQIOWHK-MRVPVSSYSA-N 310.304 2.564 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)[C@@H](C)CN(C)C)cc1OCC 1615587290 XFMGZZCNIWQMTM-KBPBESRZSA-N 322.449 2.859 0 50 DFAA c1cc(CO[C@@H]2CCOC2)cc(-c2cnn3c2OCCC3)c1 1616042909 IDSJGJUFFAGKBV-OAHLLOKOSA-N 300.358 2.638 0 50 DFAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)C1CC1 12023362 GSNHWEHVJIUNDP-OAHLLOKOSA-N 318.436 2.949 0 50 DFAA CNCC[C@@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 12217766 LZQDFWJPWKJXAZ-LBPRGKRZSA-N 316.323 2.686 0 50 DFAA CCCOc1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 19503876 QVYSTICGZNFLIX-MRXNPFEDSA-N 316.401 2.593 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(NCCCO)nc2)n1 19740164 DAUMCXLAGRHHSD-UHFFFAOYSA-N 310.357 2.901 0 50 DFAA CCCOc1ccc(CNC(=O)N2CCC[C@@H](CO)C2)c(C)c1 242047923 VRFCNGJBDQAVHG-OAHLLOKOSA-N 320.433 2.698 0 50 DFAA Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C2CCOCC2)c(C)c1 132890766 KKZSVZAMRWGMGU-AWEZNQCLSA-N 311.447 2.705 0 50 DFAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 248140204 QBLUXBANLMQKKV-AEFFLSMTSA-N 321.424 2.833 0 50 DFAA Cc1nnc(CC(=O)N2CCCCc3c(Cl)cccc32)o1 253431632 WNJAFWXOADYKAF-UHFFFAOYSA-N 305.765 2.943 0 50 DFAA O=C(c1cn[nH]c1)N1CCn2c(cc3c(Cl)cccc32)C1 369679610 DNPYPPJOACMEDJ-UHFFFAOYSA-N 300.749 2.674 0 50 DFAA Cc1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1C 265252887 SLPWIUKQPODCFW-UHFFFAOYSA-N 312.373 2.515 0 50 DFAA CCc1ccncc1NS(=O)(=O)CCc1cccc(F)c1 903643405 RUVNEMQYUNQTHG-UHFFFAOYSA-N 308.378 2.768 0 50 DFAA CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 56388 NGBKQJUYUFFZGM-UHFFFAOYSA-N 318.442 2.900 0 50 DFAA COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1F 4856408 BLNRCUKUAHWMHL-GWCFXTLKSA-N 301.383 2.691 0 50 DFAA CC1(C)CCC[C@@H]1CCNC(=O)c1cc(C(N)=O)ccc1F 2325784851 OJLYVTFGGSZHJC-GFCCVEGCSA-N 306.381 2.871 0 50 DFAA CC(=O)Nc1cccc(C(=O)N2CC(Cc3ccoc3)C2)c1C 890572737 MSJDAERGAZVDLI-UHFFFAOYSA-N 312.369 2.861 0 50 DFAA O=C(Nc1nc2c(s1)CCCC2)[C@@H]1COc2ccccc2O1 1791422 XRFMZIUCILVPKF-ZDUSSCGKSA-N 316.382 2.800 0 50 DFAA Fc1ccc(-c2ccc(CNCCCN3CCOCC3)o2)cc1 2353739 FTBGXQFKAQPPPV-UHFFFAOYSA-N 318.392 2.898 0 50 DFAA O=C(Nc1nccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 4520039 DZHRDBNQEYOOEJ-LBPRGKRZSA-N 317.370 2.513 0 50 DFAA CNC(=O)c1cc(S(=O)(=O)Nc2cc(C)ccc2C)cs1 6681564 ZXCVJBFVQGJBOD-UHFFFAOYSA-N 324.427 2.525 0 50 DFAA O=C1C[C@H]2[C@@H](C1)C[C@@H](O)[C@@H]2CC[C@@H](O)CCc1ccccc1 27643918 RBQLIGIUYJRPOG-NXJYUQPGSA-N 302.414 2.736 0 50 DFAA in-vitro CCN(CC)[C@@H](CNC(=O)CN1CCC[C@@H](C)C1)c1ccco1 229706217 HERVYXKBLZHRFF-CVEARBPZSA-N 321.465 2.511 0 50 DFAA Cc1cc(=O)oc2ccc(OCCCC(=O)NC(C)C)cc12 25756807 MZOJSPCMUDXPFS-UHFFFAOYSA-N 303.358 2.785 0 50 DFAA COc1cccc(OCc2cc(C(=O)N(C)C(C)C)no2)c1 67774926 FICMIRYCXLKJAR-UHFFFAOYSA-N 304.346 2.743 0 50 DFAA CCc1cccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c1 20167031 JDCWFOOXOHMHBL-HZPDHXFCSA-N 307.434 2.754 0 50 DFAA CCc1nc(C)c(CN(C)CCc2nc3cc(F)ccc3[nH]2)[nH]1 67784894 UTEROUWLLQEQQX-UHFFFAOYSA-N 315.396 2.970 0 50 DFAA CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCCCN2CCO)s1 331321702 KZVXAJYJIKLATP-ZDUSSCGKSA-N 324.490 2.622 0 50 DFAA CC(C)c1nnc2n1CCN(CCCO[C@H]1CCCCO1)[C@H]2C 253392876 YZCBMGBXIVBJKS-GJZGRUSLSA-N 322.453 2.711 0 50 DFAA Cn1nccc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1 122838935 NHJKVSVUYUYBON-UHFFFAOYSA-N 301.737 2.512 0 50 DFAA CCn1c(C)nnc1N1CCO[C@H](c2ccccc2Cl)C1 283755682 LVPAXCGDNHXETD-AWEZNQCLSA-N 306.797 2.838 0 50 DFAA O=C(c1coc2ccccc12)N1CCC[C@H](Cn2ccnn2)C1 126417728 IIKNGLCBKPZINB-ZDUSSCGKSA-N 310.357 2.577 0 50 DFAA CC(C)n1nc(O)c2c1NC(=O)C[C@H]2c1cc(F)ccc1F 72115789 PGSCJMVTLFRGQK-JTQLQIEISA-N 307.300 2.922 0 50 DFAA COc1cccc(OC[C@H]2CCCN(C(=O)CSC)C2)c1 77406610 WPRKAUDHXIDSTP-ZDUSSCGKSA-N 309.431 2.676 0 50 DFAA Cc1ccn2cc(CN3CC[C@]4(CCCO4)CCC3=O)nc2c1 71770833 WXCZDBQIGCJGNM-SFHVURJKSA-N 313.401 2.704 0 50 DFAA O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1C[C@H]1C1CC1 238147351 LFVLZVIEHGRPEH-QWHCGFSZSA-N 323.339 2.814 0 50 DFAA O=C(COCc1ccccc1)NCc1nnc(-c2ccccc2)o1 215640939 IFEDUBRZAOYSNK-UHFFFAOYSA-N 323.352 2.570 0 50 DFAA Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3CCCO3)c12 36353214 QJXQNAXGZUHBRV-NSHDSACASA-N 303.362 2.563 0 50 DFAA O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(C(=O)O)nc1 262017483 WTODVWUFBGINBK-UHFFFAOYSA-N 316.279 2.631 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)c(C)c2c1 372059936 BUKULWGOIUBRJN-CYBMUJFWSA-N 323.400 2.923 0 50 DFAA CN(Cc1ccc(CN2CCCCC2)s1)C[C@@H]1COCCO1 215077292 YDFUWNSJQVMTJI-OAHLLOKOSA-N 324.490 2.581 0 50 DFAA Nc1c(C(=O)NCc2cccnc2)ccnc1-c1ccccc1 373948903 ZORFPHLUBAXXJR-UHFFFAOYSA-N 304.353 2.656 0 50 DFAA Cn1ncc2c(NCC3(CO)CCC3)nc(C3CCCC3)nc21 72162252 LKXHBFDGVKRQEC-UHFFFAOYSA-N 315.421 2.595 0 50 DFAA C[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1nnc(N)s1 77408364 BWWQGZKVUUBZBV-VIFPVBQESA-N 324.837 2.974 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)NO[C@H]1CCCCO1)[C@@H](C)C2 241923314 UEXXXRCMJCUKRE-VBNZEHGJSA-N 304.390 2.986 0 50 DFAA C[C@H]1[C@@H](NCc2cncn2C)[C@H](C)CCN1C(=O)OC(C)(C)C 495619873 QGDIAGRNGKWOHW-IPYPFGDCSA-N 322.453 2.544 0 50 DFAA CC[C@H](O)CN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 133039128 BKOCCILTWLTZIS-INIZCTEOSA-N 320.481 2.580 0 50 DFAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1sc(C)nc1C 223879949 LUTMQTLJNWWRSR-ZIAGYGMSSA-N 324.446 2.630 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccn(C(F)F)n2)c1 222755422 YVQZOSKNUZXWCH-LLVKDONJSA-N 308.332 2.685 0 50 DFAA Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](CN)C2)s1 178514102 CCOGQLVESOIJIY-LBPRGKRZSA-N 301.415 2.539 0 50 DFAA O=C(c1cc(C2CC2)on1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 178573998 NRVKYYPYPZMCQH-CJNGLKHVSA-N 315.417 2.641 0 50 DFAA Cn1c2ccccc2c2cc(CC(=O)NCCCC(=O)O)ccc21 426512054 HNRBFAKQXBMYCU-UHFFFAOYSA-N 324.380 2.855 0 50 DFAA CC1(C)CN(C(=O)c2cnc(N)s2)C[C@@H]1c1ccccc1 426505735 IVGWQIVICOGJBR-GFCCVEGCSA-N 301.415 2.991 0 50 DFAA O=C(O)[C@H]1CCC[C@@H](C(=O)NCCc2c(F)cccc2F)C1 179962591 SFWOLUHCQNDHII-MNOVXSKESA-N 311.328 2.515 0 50 DFAA CCCc1cn(CC2CCN(Cc3cccc(O)c3)CC2)nn1 19745514 GDSJIPCJHPDWIT-UHFFFAOYSA-N 314.433 2.848 0 50 DFAA CN(CCC1CCOCC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95357824 VFRXKNCEKHEJMB-KRWDZBQOSA-N 322.424 2.704 0 50 DFAA CCCO[C@@H](C)CNC(=O)Nc1ccc(OC)c(NC(C)=O)c1 97553153 LQHWXVOPBKJPBM-NSHDSACASA-N 323.393 2.590 0 50 DFAA CC1(C)[C@H](NC(=O)NC2(c3ccccc3)CC2)[C@@H]2CCO[C@H]21 230153445 FVQSPBHPHDFWCC-RRFJBIMHSA-N 300.402 2.788 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cn2ccsc2n1 91877085 PRUHXJPAJHRQEK-SECBINFHSA-N 318.427 2.968 0 50 DFAA C[C@@H](c1cncs1)N(C)C(=O)c1cccc(-n2cnnc2)c1 91657049 LAGNAESFWLQHQK-NSHDSACASA-N 313.386 2.557 0 50 DFAA C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCOc2ccccc21 299552998 HBPFLNCQVQYXCF-GXTWGEPZSA-N 318.417 2.567 0 50 DFAA N[C@H](C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1)c1ccccc1 299753235 XKFQPMPTGPVGNV-OTWHNJEPSA-N 324.424 2.801 0 50 DFAA COc1ccc([C@@H](NC(=O)CC2CCCC2)[C@H]2C[C@@H](O)C2)cn1 252522886 BIVRHWQDEOXTAR-RVKKMQEKSA-N 318.417 2.599 0 50 DFAA C/C=C/C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 534584246 MIGVGNWGJWQWBI-XVNBXDOJSA-N 300.446 2.976 0 50 DFAA Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)C[C@@H]1CCNC1 299768902 QXGUTZSPCNIQMT-LBPRGKRZSA-N 319.836 2.788 0 50 DFAA COCc1cc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)[nH]n1 824475169 ISWPZXJGCXRKBC-LBPRGKRZSA-N 319.430 2.662 0 50 DFAA Cc1[nH]nc(C2CC2)c1C(=O)NCCCn1ccnc1C(C)C 828133742 YBJYBABJPJIONC-UHFFFAOYSA-N 315.421 2.736 0 50 DFAA Cc1nccn1CCn1cnc2cccc(C(F)(F)F)c2c1=O 584887333 CDKXHWNCPCTNPC-UHFFFAOYSA-N 322.290 2.620 0 50 DFAA O=C(CC[C@H]1CCCO1)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327772 VBMBLGWKBPYWAZ-QLFBSQMISA-N 303.358 2.772 0 50 DFAA COc1cccc(OCc2nc(C)nn2CC(F)(F)F)c1 670448030 BSDQLVKFDBCDSO-UHFFFAOYSA-N 301.268 2.736 0 50 DFAA Cc1cc(CNC(=O)CCC(=O)NC2CCCCCC2)ccn1 670447211 CCTLZTGBDHIONS-UHFFFAOYSA-N 317.433 2.625 0 50 DFAA CSCC[C@@H](C)N1CCN(c2ncnc3ccccc23)CC1 670469737 BVVUAECWMMWPJC-CQSZACIVSA-N 316.474 2.893 0 50 DFAA Oc1ccccc1OCc1cn(CC2Cc3ccccc3C2)nn1 1875309899 ULGCETLFUDUVLQ-UHFFFAOYSA-N 321.380 2.978 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(F)ccc3F)n[nH]c21 1875289186 WYTLIOGVHBHXBO-BDAKNGLRSA-N 321.327 2.640 0 50 DFAA CCNC(=O)c1ccc(NC(=O)c2oc(C)nc2C)cc1Cl 952978338 YPZZZXDKONVHKE-UHFFFAOYSA-N 321.764 2.947 0 50 DFAA Cc1nonc1Cc1nc(CCC(C)C)nn1CC(F)(F)F 952869307 ORJIHIWCLITKBG-UHFFFAOYSA-N 317.315 2.711 0 50 DFAA COc1ccc(Cl)cc1-c1nnc([C@@]2(OC)CCOC2)o1 886082235 NZAOXWAOVPGYOR-CQSZACIVSA-N 310.737 2.661 0 50 DFAA Cn1c(CN[C@H]2CCCO[C@@H]2c2ccncc2)nc2ccccc21 275669515 VMOQJAILSJGZGQ-QFBILLFUSA-N 322.412 2.978 0 50 DFAA CC(C)=CCNc1ccccc1CN1CCC[C@H](C(N)=O)C1 170607107 ZDGLMOFBLGGPNV-INIZCTEOSA-N 301.434 2.762 0 50 DFAA O=C(NCc1ccccc1)C(=O)N[C@H](c1ccccc1)C1CC1 170608118 JKSGUTHFDUJQJZ-QGZVFWFLSA-N 308.381 2.570 0 50 DFAA CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585128912 QXAFUTKLFPVONA-DEQQHWRFSA-N 317.433 2.676 0 50 DFAA CC(C)c1nnc2ccc(NC(=O)[C@H]3COc4ccccc43)cn12 189281143 CYVCGPIDFYOTLJ-AWEZNQCLSA-N 322.368 2.967 0 50 DFAA CN(CCO)c1ccc(NCc2c[nH]nc2-c2ccccc2)nc1 305107426 FMMZFTPRMIAOKH-UHFFFAOYSA-N 323.400 2.512 0 50 DFAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 221872169 NJHDNXFNWKVROZ-BYNSBNAKSA-N 324.421 2.739 0 50 DFAA CCc1ccc([C@H](C)CC(=O)NC[C@@H](C)c2nncn2C)cc1 194267288 PWJAUICJMYAVSB-ZIAGYGMSSA-N 314.433 2.791 0 50 DFAA CCCc1cnc(C)nc1NCc1nc(-c2ccccn2)no1 1506428400 XDXZZSQRHWOVKY-UHFFFAOYSA-N 310.361 2.795 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2O)n[nH]1 1529098876 NOXIUULZJCPTLW-MLGOLLRUSA-N 323.799 2.546 0 50 DFAA Cc1ccc([C@@H](CNc2ncc(C)c(N(C)C)n2)N(C)C)cc1 1529141447 CLDFWCFELCPEHX-MRXNPFEDSA-N 313.449 2.874 0 50 DFAA O=S(=O)(NCCc1ccc(Cl)cc1)c1cccs1 5769862 NZNVXYXNELFNNC-UHFFFAOYSA-N 301.820 2.923 0 50 DFAA CCOC(=O)c1cc(O)n2nc(-c3ccc(Cl)cc3)cc2n1 13563590 SGBZZDKLFGJIMM-UHFFFAOYSA-N 317.732 2.932 0 50 DFAA O=c1c2c3c(sc2nc(S)n1-c1cccc(O)c1)CCC3 17053906 DRFGOQMLRCVGQX-UHFFFAOYSA-N 316.407 2.930 0 50 DFAA CC(C)c1nc(CCNC(=O)[C@@]2(C)CC23CCNCC3)cs1 1857689548 SAPNKQPYQQMHAK-MRXNPFEDSA-N 321.490 2.705 0 50 DFAA CC(C)c1nc([C@H]2CCCCN2C(=O)c2cccn2C)n[nH]1 408473315 IULQWUZHVMOECQ-GFCCVEGCSA-N 301.394 2.634 0 50 DFAA CNC[C@@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 237167590 MTACPBLDKHIACD-AWEZNQCLSA-N 324.852 2.957 0 50 DFAA C[C@H]1OC(=O)N[C@H]1c1nc(-c2ccc(Br)cc2)no1 585133501 JXAMIHOZSROVIY-HZGVNTEJSA-N 324.134 2.669 0 50 DFAA Cc1cc([C@@H]2CCCN2Cc2ccccc2CC(=O)O)on1 846241810 NDFVVOLPRJGLNC-HNNXBMFYSA-N 300.358 2.947 0 50 DFAA O[C@@H](c1cccnc1)c1nccn1Cc1c(F)cccc1F 809999149 IQAYCLDWRALNOP-HNNXBMFYSA-N 301.296 2.686 0 50 DFAA CC(C)(C)c1ncc(N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cn1 813359311 HYQUNZZKKBPYDD-SFHVURJKSA-N 324.384 2.746 0 50 DFAA O=C(Nc1ccn(CCF)n1)N1CCC[C@@H]1c1ccc(O)cc1 932213955 DOYRKFGCCBGPCN-CQSZACIVSA-N 318.352 2.927 0 50 DFAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CO 454443 NGUDYNJHDNIKIJ-QMMMGPOBSA-N 306.189 2.648 0 50 DFAA COCCn1nnnc1S[C@H]1CCCC(=O)c2ccccc21 2325765963 ANNGUGQYKFEUTE-AWEZNQCLSA-N 318.402 2.520 0 50 DFAA O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)C12COC(C1)C2 2325780607 AKUAXCQRZYXPMB-AGYKMIKPSA-N 323.392 2.757 0 50 DFAA Cc1cc(C2CCN(C(=O)Cc3ccc(Cl)cn3)CC2)on1 2325818016 QTPLRQSAGIWWJT-UHFFFAOYSA-N 319.792 2.980 0 50 DFAA NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 42567 MUPKQHJSQBTFOY-UHFFFAOYSA-N 314.410 2.907 0 50 DFAA COC(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)o1 200908 BMFNFZCSBJYODL-UHFFFAOYSA-N 300.266 2.752 0 50 DFAA biogenic CCOC(=O)C1CCN([C@@H](C)CCc2ccc(O)cc2)CC1 221529 AKTIDMIWTYMAEB-AWEZNQCLSA-N 305.418 2.988 0 50 DFAA O=Cc1cn(CC(=O)NCCc2ccccc2)c2ccccc12 264085 RLXWTTLSMBDSRE-UHFFFAOYSA-N 306.365 2.813 0 50 DFAA COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 298355 LYGBUZAVLPEGPD-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA Cc1cc(Cl)ccc1NC(=S)N1CCC(C(N)=O)CC1 299360 DBPSHDVYNPPKKE-UHFFFAOYSA-N 311.838 2.543 0 50 DFAA COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1cccs1 4868858 AZFSOSGTSUONNL-SNVBAGLBSA-N 322.415 2.523 0 50 DFAA Cc1cc(C)c(NC(=O)c2cnc3sccn3c2=O)c(C)c1 6456177 IYHDWZZPWYJJPD-UHFFFAOYSA-N 313.382 2.934 0 50 DFAA O=C(CCCc1nc(-c2ccncc2)no1)Nc1nccs1 20894235 ZPWUDHXIFVLWHH-UHFFFAOYSA-N 315.358 2.550 0 50 DFAA c1cnc(Oc2ccc(CN3CC[C@H]4CC[C@@H](C3)N4)cc2)nc1 65428258 QSIYVIRBGFFBML-CVEARBPZSA-N 310.401 2.595 0 50 DFAA Cc1noc2ncc(NC(=O)c3cc4nccnc4cc3F)cc12 348324253 PDUMAUKILXIQMW-UHFFFAOYSA-N 323.287 2.866 0 50 DFAA O=C(Nc1cnc2n1CCCC2)c1cccc(Cn2cccn2)c1 67909331 NNUPPLQOIAUKBL-UHFFFAOYSA-N 321.384 2.717 0 50 DFAA O=C(Nc1ccc2c(c1)CCN2)N[C@H]1CCOC2(CCC2)C1 333319049 MSNSXIXKZITUQE-AWEZNQCLSA-N 301.390 2.878 0 50 DFAA Cc1ncsc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328623915 CCYHFIMCUVAXHM-RDJZCZTQSA-N 316.474 2.971 0 50 DFAA COC(OC)c1c(I)ccnc1Cl 35270519 HHPMMBWLNHTVOJ-UHFFFAOYSA-N 313.522 2.631 0 50 DFAA COCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237204553 MUZZGUIQKKPOEC-ZDUSSCGKSA-N 305.374 2.550 0 50 DFAA c1cc2c(cc1-c1noc([C@H]3C[C@@H]3C3CCNCC3)n1)CCO2 356889462 HOQQFZACFDOPJY-CABCVRRESA-N 311.385 2.775 0 50 DFAA O=C(N[C@H]1COC2(CCCC2)C1)c1cc(=O)c2ccccc2o1 219775300 DDFUZPWRILQXPC-GFCCVEGCSA-N 313.353 2.625 0 50 DFAA CCc1n[nH]c(C(=O)N2CCO[C@@H](CCCC(C)C)C2)c1C 71765109 RKJMAOCDNGSZPO-AWEZNQCLSA-N 307.438 2.948 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NCC[C@@H]2CCCOC2)c1 72475112 RZCHZAHQJLQBBT-INIZCTEOSA-N 319.445 2.937 0 50 DFAA Nc1cccc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)n1 216063769 VKCZNVIFNHVCDH-QGZVFWFLSA-N 322.343 2.717 0 50 DFAA CN1Cc2ccc(CN(C)C(=O)c3c(O)cccc3F)cc2C1 215059796 QBTMLPSFIGSAIQ-UHFFFAOYSA-N 314.360 2.749 0 50 DFAA O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(Br)cn1 450714342 YDSCHVIGBWYPDG-FRRDWIJNSA-N 311.223 2.974 0 50 DFAA O=C(CCN1CCCCCCC1)NCCCc1ccncc1 219352707 CNMJSNGFFIUCEZ-UHFFFAOYSA-N 303.450 2.787 0 50 DFAA O=C(NCCc1cc2ccccc2o1)[C@H]1CCn2cncc2C1 132729327 OUFRWBAWSVHMCB-AWEZNQCLSA-N 309.369 2.551 0 50 DFAA CC(C)C[C@H](CC(=O)O)NC(=O)CCc1ccc(F)c(F)c1 222877284 KPBAQMGYPHRQHI-GFCCVEGCSA-N 313.344 2.903 0 50 DFAA CCc1cccc(OC[C@@H](O)Cn2nccc2-c2cccnc2)c1 179031016 FCZSFVSTXAKULS-KRWDZBQOSA-N 323.396 2.947 0 50 DFAA COc1ccc(Cn2cc(-c3c(C)ncnc3OC)cn2)cc1 426531552 HTHZFWFZBJQROO-UHFFFAOYSA-N 310.357 2.714 0 50 DFAA CCOCCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 91644510 HPGMRYGMNSGNHC-QZTJIDSGSA-N 316.445 2.536 0 50 DFAA O=C(NC[C@@H](c1ccccc1F)N1CCCC1)C1CCOCC1 97492459 FYPCUGIFBZAQCW-KRWDZBQOSA-N 320.408 2.505 0 50 DFAA Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3ccn(C)n3)cn2c1 91818896 QUFBUMOPVKKQON-INIZCTEOSA-N 323.400 2.744 0 50 DFAA CCCn1cc(CNC(=O)[C@H](c2ccccc2C)N(C)C)cn1 95530617 LXSFYAJUFPSPPV-KRWDZBQOSA-N 314.433 2.521 0 50 DFAA Cc1cccc([C@H](C(=O)NC2(CO)CCCCCC2)N(C)C)c1 95379180 RPOJOBPPDHBPJZ-QGZVFWFLSA-N 318.461 2.799 0 50 DFAA c1ccc(Cn2cc(-c3nc(C4CCOCC4)n[nH]3)cn2)cc1 97743434 QWFABWIDBDPAKG-UHFFFAOYSA-N 309.373 2.611 0 50 DFAA Cc1cc(C(=O)N2CCC[C@H](N)C2)c2cc(Cl)ccc2n1 96141285 SPOVSWNTSSTWBO-LBPRGKRZSA-N 303.793 2.760 0 50 DFAA CC(C)[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)O 334161715 HERQPUAQEPHWHT-MRXNPFEDSA-N 319.401 2.558 0 50 DFAA Cc1[nH]c2ccccc2c1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 248007582 FGBXCVAUZMVXQU-RPLLJCPNSA-N 320.392 2.826 0 50 DFAA CC[C@H](C(=O)NC1CCCC1)N(C)Cc1noc(C2CCC2)n1 244626830 FTNJCXMFGAMGOC-CQSZACIVSA-N 320.437 2.606 0 50 DFAA CC(C)c1nnsc1CN(C)Cc1noc(C2CCC2)n1 244716112 LIQALBYCRRIIDL-UHFFFAOYSA-N 307.423 2.944 0 50 DFAA COc1cccc(N2CCN(Cc3cncn3C3CC3)CC2)c1 244899358 ZIMFIJRIWPTICR-UHFFFAOYSA-N 312.417 2.549 0 50 DFAA O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(F)cn1 183078614 LWWNWOYNPMSARF-UHFFFAOYSA-N 300.268 2.798 0 50 DFAA CN(CCC[C@H]1CCCO1)C(=O)Nc1cccc2cn[nH]c12 299765811 XUEJNQMJSRSRJM-ZDUSSCGKSA-N 302.378 2.986 0 50 DFAA CC[C@@H](C)c1ccccc1OCC(=O)NC(C)(C)C(=O)N(C)C 557535543 OCZIYBZFMKELEA-CYBMUJFWSA-N 320.433 2.562 0 50 DFAA CCCc1nc(C)c(CNC(=O)c2ccn(C(F)F)n2)s1 823015155 FBBLVWDUACCNQH-UHFFFAOYSA-N 314.361 2.926 0 50 DFAA COCC1(CNC(=O)N(C)CC[C@@H](O)c2ccccc2)CCC1 584884666 WUXXHESOXIFMIE-MRXNPFEDSA-N 320.433 2.568 0 50 DFAA Oc1ncnc2cnc(NC[C@@]34CCCC[C@H]3C4(F)F)cc12 1875295091 QMUDHRDZEGLZJZ-RISCZKNCSA-N 306.316 2.968 0 50 DFAA CC[C@H](C)c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c(O)n1 1875309041 NTVGNXVWSGSXPN-APHBMKBZSA-N 317.433 2.609 0 50 DFAA C=CC(=O)Nc1cccc2c1C(=O)N(Cc1ccccc1)C2=O 1875366865 ODQCJFLKQWXDHG-UHFFFAOYSA-N 306.321 2.607 0 50 DFAA COc1ccccc1-c1ccc(N2CCC[C@@H](CCO)C2)nn1 952881107 FATYUWFPZCCGSB-AWEZNQCLSA-N 313.401 2.751 0 50 DFAA Cc1cccc(CNCc2nncn2CCc2ccccc2)n1 952869878 ODGQHXBIGUGVOP-UHFFFAOYSA-N 307.401 2.514 0 50 DFAA CCn1nc(C)c(CN(C)c2nc(C(=O)OC)c(C)s2)c1C 601209481 IDJWDEPLPZLYQJ-UHFFFAOYSA-N 322.434 2.708 0 50 DFAA Cc1csc(C(C)(C)NC(=O)c2ccc3nccn3c2)n1 172272179 DKTFYTPNZXCTKW-UHFFFAOYSA-N 300.387 2.764 0 50 DFAA C[C@@H](CC(=O)N[C@H](C)c1cc(O)n[nH]1)Cc1cccc(F)c1 585127493 BPLUXZVKCSADIL-GHMZBOCLSA-N 305.353 2.701 0 50 DFAA CC(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(c2cc[nH]n2)CC1 408474095 DEKNXFMIYZVUQH-GDBMZVCRSA-N 305.422 2.567 0 50 DFAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)sc1C 408505302 WNMPPUSBNRRTCR-TUAOUCFPSA-N 313.444 2.606 0 50 DFAA Cc1ccc(CN(C)C(=O)C[C@H](C)c2c(C)n[nH]c2C)nc1 682819739 XKQUPDLNUOLBDV-LBPRGKRZSA-N 300.406 2.882 0 50 DFAA CC(C)N(CC1CCC1)C(=O)NCc1cccnc1N(C)C 193393206 MPLPXWQJATYJBI-UHFFFAOYSA-N 304.438 2.868 0 50 DFAA CS[C@@H](CO)[C@@H](C)NCc1sccc1Br 195564534 CQAMGOOGYZYQDR-XCBNKYQSSA-N 310.282 2.713 0 50 DFAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccc2c(n1)CCC2 656776896 QPYROUZCQQFUKD-WMLDXEAASA-N 312.417 2.884 0 50 DFAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)NCc1cccs1 1506416338 VXSCUDALMNSYBY-AWEZNQCLSA-N 319.430 2.626 0 50 DFAA Cc1cc(C(F)(F)F)nc(CCNc2nc(C)cc(C)n2)n1 1529191269 VXMLSXONQBSAKP-UHFFFAOYSA-N 311.311 2.865 0 50 DFAA CC(=O)c1ccc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)s1 1529134266 RJIKLIFGGGFJAI-MPZDIEGVSA-N 307.415 2.572 0 50 DFAA Cc1cc(C[C@@H]2CN(Cc3cc(C)c(C)cc3C)C[C@H]2O)n[nH]1 1529105224 YPBUDMQJCKRAHF-IEBWSBKVSA-N 313.445 2.679 0 50 DFAA C[C@@H]1COc2ccc(C(=O)NCc3nccc(C(F)F)n3)cc21 1615576160 HDJKTSBEEQWYAY-SECBINFHSA-N 319.311 2.840 0 50 DFAA Cc1oc(-c2ccccc2)nc1CCNS(=O)(=O)C1(C)CC1 1615626282 HTAMABPLHFCNFF-UHFFFAOYSA-N 320.414 2.664 0 50 DFAA CC(C)n1ccnc1C(=O)N1CCN(c2ccccc2)C[C@H]1C 1616037137 FRHIFQUAXXLVHT-OAHLLOKOSA-N 312.417 2.815 0 50 DFAA CC(C)OCC1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1775984303 NPTRSDJVCPHRFV-KRWDZBQOSA-N 310.482 2.770 0 50 DFAA Cc1cc(F)c(C(F)(F)F)cc1NC(=O)CO[C@@H]1CCOC1 1646104726 KQNKEJLNLYMFEM-SECBINFHSA-N 321.270 2.897 0 50 DFAA Cc1ncsc1C(=O)NC[C@H](c1ccco1)N1CCCC1 19227906 ZRXXTMAALLQCQZ-GFCCVEGCSA-N 305.403 2.611 0 50 DFAA C/C=C(\C)CN1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 19535797 MZIBWCINUDQGOC-VSEHZYKHSA-N 306.425 2.661 0 50 DFAA Cc1ncc(C(F)(F)F)cc1C(=O)NCc1cccc(CO)c1 635665003 HRHVTVXDZNYGQP-UHFFFAOYSA-N 324.302 2.831 0 50 DFAA O[C@H](COC[C@H]1C[C@H]2CC[C@H]1C2)Cn1cnc2ccccc21 104040347 CIJJBJLKHGUXOZ-JONQDZQNSA-N 300.402 2.850 0 50 DFAA CC[C@](CNC(=O)c1c[nH]cc1C)(C(=O)OC)c1ccccc1 408521274 OAZXVVQLILHQEJ-GOSISDBHSA-N 314.385 2.574 0 50 DFAA O=C(O)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 2490672 LDNPTKKXAFMJPC-UHFFFAOYSA-N 314.360 2.846 0 50 DFAA C[C@H](CN(C(=O)[C@@H]1CSc2ccccc21)C1CC1)C(=O)O 237610379 LGRZCWPKPMJYPN-ZWNOBZJWSA-N 305.399 2.588 0 50 DFAA CC1(C)[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)[C@H]2CCO[C@H]21 245338997 PWHLDZHFTGSYJC-GLKFPVFTSA-N 321.367 2.998 0 50 DFAA Cc1ccc(-c2csc(NC(=O)[C@@H]3CCN(C)C3=O)n2)cc1 681270521 XEFSPVPCCSQJAV-LBPRGKRZSA-N 315.398 2.535 0 50 DFAA CC[C@@](CNC(=O)c1cccc(C)n1)(C(=O)O)c1ccccc1 263098926 WGTCMEYZXKGWOE-SFHVURJKSA-N 312.369 2.552 0 50 DFAA CC(C)(CNC(=O)N[C@H]1CCCC[C@@H]1CO)c1cccs1 267107587 WIUZLQVZJGWDPV-OLZOCXBDSA-N 310.463 2.876 0 50 DFAA Cn1nc2c(c1CNc1cccc(CCC(=O)O)c1)CCCC2 901554892 HOGCLVMZPBQKTC-UHFFFAOYSA-N 313.401 2.928 0 50 DFAA Cc1ncoc1CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 816710006 WKEUYQQTZWVRJE-INIZCTEOSA-N 313.401 2.654 0 50 DFAA O=C(c1ccc(C2CC2)nc1O)N1CCCC[C@H]1c1cn[nH]c1 932795804 QZQAIYNXBDMDSI-HNNXBMFYSA-N 312.373 2.755 0 50 DFAA CCC1=NN(C(=O)c2ccc(OC)cc2)[C@](O)(C(F)(F)F)C1 352148 NPPSTJCPBQKFRH-CYBMUJFWSA-N 316.279 2.558 0 50 DFAA c1ccc([C@@H](N=c2ncnc3[nH][nH]cc2-3)c2cccs2)cc1 2325700428 CZPKFVJTVNJVCQ-CQSZACIVSA-N 307.382 2.989 0 50 DFAA COc1ccc([C@H](C)Cn2cc(-c3c[nH]ccc3=N)nn2)cc1 2325857170 RQAPCRMQOSETCR-GFCCVEGCSA-N 309.373 2.565 0 50 DFAA C[C@H](NC(=O)c1cc(Cc2ccccc2)c[nH]1)c1cn(C)cn1 2325860133 YSRVLLUCAFCAEH-ZDUSSCGKSA-N 308.385 2.830 0 50 DFAA COc1c(NC2CC(SC)C2)cc(Cl)cc1C(N)=O 926383845 FTLAZLUMGLJMLZ-UHFFFAOYSA-N 300.811 2.753 0 50 DFAA CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCn2ccnc21 931525713 FYTWPXGJIAEHQH-CYBMUJFWSA-N 312.417 2.855 0 50 DFAA C[C@@H]1[C@@H](NC(=O)CN2CCc3ccccc3C2)CCC[C@H]1C 2332237327 MDYDBIHOMZRXRP-VKJFTORMSA-N 300.446 2.986 0 50 DFAA COc1ccccc1NC(=S)NC(=O)Cc1ccccc1 456398 TZUQLLFFIGGZQQ-UHFFFAOYSA-N 300.383 2.751 0 50 DFAA COc1ccc(C)cc1N[C@H]1CC(=O)N(c2ccccc2)C1=O 1001623 KAKNZKBULKSOJV-HNNXBMFYSA-N 310.353 2.748 0 50 DFAA CCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C 2709642 UFTRYRJETVKEAN-UHFFFAOYSA-N 316.382 2.980 0 50 DFAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 4309841 NKZCHOBOFQXPSX-XGACYXMMSA-N 304.321 2.573 0 50 DFAA O=C(NCC[C@H]1CCCN1)N(CCc1ccc(F)cc1)C1CC1 418566823 GETYMGODZROHAQ-MRXNPFEDSA-N 319.424 2.684 0 50 DFAA CCc1nc(N2CCC[C@@H]2C(=O)O)c2oc3ccccc3c2n1 55157333 VHWPVFLQOPFZLH-LLVKDONJSA-N 311.341 2.992 0 50 DFAA c1coc(-c2nc(CNC3CCC4(CCNCC4)CC3)no2)c1 67868852 QGIHEIHWIOXWFB-UHFFFAOYSA-N 316.405 2.732 0 50 DFAA Cc1ccccc1-c1nc(CN(C)C[C@H]2COCCO2)c(C)o1 67840663 FDJQKSWEFJEDPH-HNNXBMFYSA-N 316.401 2.806 0 50 DFAA Nc1cc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)ccn1 20454160 QYWIRGDCYBNZPQ-LBPRGKRZSA-N 301.777 2.947 0 50 DFAA COc1cccc2cc(C(=O)N3CCCC[C@@H]3C(=O)O)oc12 136529521 WQSVKTNFERLPMR-LLVKDONJSA-N 303.314 2.521 0 50 DFAA O=C1NC(=O)/C(=C/c2cccc(OC(=O)c3ccco3)c2)S1 22022940 JOXYQPMYDWRLRU-WQLSENKSSA-N 315.306 2.823 0 50 DFAA O=C(NCc1ncc(-c2ccccc2)[nH]1)c1cnn2ccccc12 348866934 MGNCWNPHWCWIHH-UHFFFAOYSA-N 317.352 2.654 0 50 DFAA NNc1[nH]c2ccc(Br)cc2c1Br 12336779 YZSADBGSTWXKQZ-UHFFFAOYSA-N 304.973 2.979 0 50 DFAA CC(C)(C)c1cnc(NC(=O)N[C@@H]2CCc3n[nH]cc3C2)s1 332179271 RQSNCHATMAVPCL-SNVBAGLBSA-N 319.434 2.843 0 50 DFAA CCc1ncn(Cc2nc(-c3cc(OC)ccc3F)oc2C)n1 67515404 OFFXZIMAJIRQDA-UHFFFAOYSA-N 316.336 3.000 0 50 DFAA Cc1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(C)c1Cl 4745647 IOZXLYHHOZBPPQ-UHFFFAOYSA-N 307.737 2.521 0 50 DFAA O=C1CCN(C(=O)OCc2ccccc2)[C@@H](C(F)(F)F)C1 35029285 QIDSGGVIXVGOFX-GFCCVEGCSA-N 301.264 2.919 0 50 DFAA Cc1nc(=O)c(Cl)c(-c2ccc3c(c2)OC(F)(F)O3)[nH]1 215255292 KOTCTGJLPNNXJD-UHFFFAOYSA-N 300.648 2.720 0 50 DFAA COc1ccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)cn1 215827311 AUUWJJWXWKEREO-KRWDZBQOSA-N 313.401 2.666 0 50 DFAA C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(CN(C)C)ccn1 331113852 KNCBVMWHTRNJAX-UKRRQHHQSA-N 305.422 2.677 0 50 DFAA CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](C(=O)O)C1 236916542 UYNXSWMZBATGFJ-HOMMJUPQSA-N 317.385 2.810 0 50 DFAA O=C(O)c1cnc2c(-c3ccncc3)cnn2c1C(F)(F)F 75897699 RKUZKFSBZCTRFY-UHFFFAOYSA-N 308.219 2.508 0 50 DFAA COc1ccccc1[C@@H](C)CC(=O)N1CC[C@@](C)(C(=O)O)C1 237185448 LLTDJPYTTKAKLV-YVEFUNNKSA-N 305.374 2.512 0 50 DFAA COC(=O)CC[C@H]1CN(Cc2ccc(C)cc2)CC[C@H]1N(C)C 14879559 ZNZCCMYARVGVHR-ZWKOTPCHSA-N 318.461 2.700 0 50 DFAA COc1cc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)ccc1OC(C)C 156473177 LOZARRLMIBGHTJ-DZGCQCFKSA-N 320.433 2.682 0 50 DFAA Cn1ccc(/C=C/C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)c1 370517741 LUYOSJFRQQZACS-IBDYFIJFSA-N 324.424 2.635 0 50 DFAA COc1ccccc1N1CCN(Cc2cccc3cn[nH]c23)CC1 157397185 ZLTRPKDERDZLFJ-UHFFFAOYSA-N 322.412 2.894 0 50 DFAA CN(C)[C@H]1CCCN(C(=O)NCc2ccc(Cl)cc2)CC1 72173898 LPUZXBOQNJPWCH-HNNXBMFYSA-N 309.841 2.966 0 50 DFAA Cc1cc(C2CCC2)nc(NC[C@H]2CC(=O)N(C(C)C)C2)n1 71749375 PIOSZXWFVDOFBT-CYBMUJFWSA-N 302.422 2.721 0 50 DFAA Cc1cnn([C@@H]2CCN(C(=O)c3cc(-c4ccccc4)no3)C2)c1 378113525 LAFOGORSVWQSJI-OAHLLOKOSA-N 322.368 2.934 0 50 DFAA CNC[C@@H]1CCN(C(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)C1 179015986 OGSAQXZOPFRRQI-HOTGVXAUSA-N 318.461 2.954 0 50 DFAA CCc1cn[nH]c1[C@H]1CCCN(Cc2cc(C(C)=O)cn2C)C1 82157800 UZGSFIBUWVTPMT-HNNXBMFYSA-N 314.433 2.893 0 50 DFAA Cc1cc(C)n([C@@H](C)CNC(=O)CCc2scnc2C)n1 82097835 DMOQFXDUTOPCTH-LBPRGKRZSA-N 306.435 2.575 0 50 DFAA CCc1nsc(N[C@H]2CCN(c3ccccc3OC)C2)n1 268104023 AZZCIRLXNOXXAL-NSHDSACASA-N 304.419 2.800 0 50 DFAA Cc1ccc(F)cc1-c1noc(C[C@@H]2CCCS(=O)(=O)C2)n1 293262580 VQXOZWAZZJMBMX-NSHDSACASA-N 324.377 2.551 0 50 DFAA Cc1ccc2[nH]c(CN[C@@H]3c4ccccc4C[C@@H]3O)cc(=O)c2c1 91818756 VRRKNJKZEPEFJI-VQTJNVASSA-N 320.392 2.584 0 50 DFAA Cc1cccnc1[C@H](C)NC(=O)c1c(C)c(Cl)c(C)[nH]c1=O 97797635 VIDYNMMAXBSTRP-NSHDSACASA-N 319.792 2.840 0 50 DFAA Cc1noc(C)c1NC(=O)NC[C@H]1CCc2ccccc2O1 95527622 FOOZQBFCAFNRHV-CYBMUJFWSA-N 301.346 2.807 0 50 DFAA O=C1CSc2ccccc2N1Cc1noc([C@@H]2CCCO2)n1 95355567 FUNSNSSVAKJMLR-NSHDSACASA-N 317.370 2.560 0 50 DFAA Cn1ccc2cc(C(=O)N[C@H](C(=O)O)c3ccccc3)ccc21 334161777 IAPGIIOTLDMNNX-INIZCTEOSA-N 308.337 2.734 0 50 DFAA CC[C@@H](N[C@@H](C)c1nccn1C)c1ccc2c(c1)OCCO2 182556468 HCCNMWURUWQIDL-GXTWGEPZSA-N 301.390 2.993 0 50 DFAA Cc1ccc2[nH]c([C@@H](NC(=O)c3nccn3C)C(C)C)nc2c1 244817073 STZOPEBBXWWISY-AWEZNQCLSA-N 311.389 2.732 0 50 DFAA CN1CCCN(C(=O)COc2ccsn2)c2ccc(F)cc21 1445218110 PAZISJYBWWNDCP-UHFFFAOYSA-N 321.377 2.534 0 50 DFAA O=C(C[C@@H]1CCNC1)NCC1(c2ccccc2F)CCCC1 299771043 RHEJIXNBZHQWKT-AWEZNQCLSA-N 304.409 2.753 0 50 DFAA CSc1ccccc1C(=O)NCCc1noc(C2CC2)n1 299791438 GAOGNPVDJVYIRN-UHFFFAOYSA-N 303.387 2.641 0 50 DFAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)cc1 299795003 LBVSNXXCOMCBNI-HNNXBMFYSA-N 313.401 2.660 0 50 DFAA Cc1nn(CCCNC(=O)CCc2ccncc2)c(C)c1Cl 299768240 JHWYAEHHVSXBOC-UHFFFAOYSA-N 320.824 2.687 0 50 DFAA CCn1nc(-c2ccc(SC)cc2)nc1CN(C)CCOC 824405396 ALATYZVGVHNKEX-UHFFFAOYSA-N 320.462 2.765 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCC(=O)Nc1ccccc1 584896857 OUKRYHBAKUTQHJ-NSHDSACASA-N 314.389 2.623 0 50 DFAA CCN1C(=O)CCc2cc(NC(=O)[C@@H](C)OCC3CC3)ccc21 185614129 QVQRLRVHKGYAKC-GFCCVEGCSA-N 316.401 2.739 0 50 DFAA O=C(N[C@H]1CC[C@@H](O)C1)c1cncc(-c2cccc(F)c2)c1 1875294299 QWUCUEYLUFJCOU-JKSUJKDBSA-N 300.333 2.531 0 50 DFAA c1cc2c(c(CN=c3ccc(-n4ccnc4)n[nH]3)c1)CCCC2 1875295483 ZIPRKUXJNYCTPC-UHFFFAOYSA-N 305.385 2.575 0 50 DFAA O=C(O)COc1cccc(C(=O)N[C@@H]2CCC=CCCC2)c1 1875272685 MHFWUJAMOBGUDQ-CQSZACIVSA-N 303.358 2.769 0 50 DFAA CN(C)C(=O)c1cncc(NC[C@]2(c3ccccc3)CC2(C)C)n1 952977311 BWNFNMSWUKQHKX-IBGZPJMESA-N 324.428 2.958 0 50 DFAA CO[C@@]1(c2nnc(CCOc3ccc(C)c(C)c3)o2)CCOC1 886082197 JHIUHTXUWDRYNV-KRWDZBQOSA-N 318.373 2.570 0 50 DFAA COC(=O)c1oc(C(=O)NCC(C)(C)C2CCOCC2)cc1C 887384958 YQMMIKZJYRICDB-UHFFFAOYSA-N 323.389 2.557 0 50 DFAA O[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C[C@H]1F 897385071 HJYVZPIWYIYBGP-ZBFHGGJFSA-N 324.359 2.601 0 50 DFAA C[C@H]1Oc2ccc(F)cc2N(Cc2ccc(C(=O)O)cc2)C1=O 57766272 QHQKNSONNKFGNC-SNVBAGLBSA-N 315.300 2.838 0 50 DFAA in-vitro CC(C)(C)OC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 79031721 ALIVCUSTZCGWKQ-NSHDSACASA-N 313.394 2.544 0 50 DFAA in-vitro C[C@]1(C(N)=O)CCCCN1Cc1csc(-c2ccoc2)n1 185959139 RAGYXYMJDOKXLY-OAHLLOKOSA-N 305.403 2.633 0 50 DFAA Cc1ncc(C(=O)NC(C)(C)c2nc3ccccc3n2C)c(C)n1 186801054 SYLHGTUIQPOZSY-UHFFFAOYSA-N 323.400 2.645 0 50 DFAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccn[nH]2)c1 225831028 DVWSGNLLTJZLPW-AWEZNQCLSA-N 305.403 2.552 0 50 DFAA COc1cc(C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)on1 189857073 WHYBYUATPZUZQH-QMMMGPOBSA-N 308.721 2.764 0 50 DFAA CCOc1ccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)cn1 190270963 XXXFKNZQNZFDTF-HNNXBMFYSA-N 319.405 2.903 0 50 DFAA Cc1cc(CN2CCOC[C@H]2c2cccc(F)c2)oc1C(=O)O 656764490 BLKZKASMFPMTBD-HNNXBMFYSA-N 319.332 2.999 0 50 DFAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCc3ccnc(-c4ccccc4)c3)C[C@@H]21 1615548496 STGLITLBQNHZNG-XWTMOSNGSA-N 321.424 2.738 0 50 DFAA Cc1c(N(C)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 5094705 GDWHSBLEXJQGSG-UHFFFAOYSA-N 321.380 2.761 0 50 DFAA CC(=O)NC[C@@H]1CCC2(CCN(CC3CCCCC3)CC2)O1 12128663 OJFFSXYVDBISIS-KRWDZBQOSA-N 308.466 2.716 0 50 DFAA CCOC(=O)c1cc(C)sc1NC(=O)CN1CCCCC1 13322945 XRSCWNKRBHINRR-UHFFFAOYSA-N 310.419 2.658 0 50 DFAA Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2F)cc1 15564154 QMWRQFGFSKLWIP-UHFFFAOYSA-N 304.296 2.642 0 50 DFAA Nc1cc([C@H](O)c2ccc(Cl)cc2)ccc1N1CCOCC1 16650526 IPMNVEMTQJYOFH-QGZVFWFLSA-N 318.804 2.841 0 50 DFAA CCc1c(-c2nnc(SCC(=O)OC)n2C)csc1C 17032345 DOHBXSRBXCOZMX-UHFFFAOYSA-N 311.432 2.680 0 50 DFAA O=C1C[C@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 19782408 XAYIFBUZAWPAMQ-HNNXBMFYSA-N 314.772 2.762 0 50 DFAA CCOC(=O)NC(=S)Nc1ccc(Br)c(C)n1 202493067 FEWIOOYDNPJMRQ-UHFFFAOYSA-N 318.196 2.595 0 50 DFAA O=C(O)C1CCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 238031674 XIRZPSKMKSMWBM-UHFFFAOYSA-N 318.760 2.825 0 50 DFAA O=C(O)C[C@H](NC(=O)c1ccsc1)c1ccc(F)cc1F 776660464 WMCBFKIJKRIBDL-LBPRGKRZSA-N 311.309 2.972 0 50 DFAA C[C@H](NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccccc1 363307396 RVEIUUUBFNSMOQ-GJZGRUSLSA-N 312.417 2.755 0 50 DFAA CC(C)c1ncc(C(=O)N2CC3(COc4ccccc4C3)C2)cn1 2100482818 AUDJHPBFLRNAHU-UHFFFAOYSA-N 323.396 2.677 0 50 DFAA Cc1cc(O)nc(C)c1NC(=O)c1cnc(-c2ccccn2)nc1 2100539717 VKHRVHSXXQGPDV-UHFFFAOYSA-N 321.340 2.508 0 50 DFAA Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1ncc[nH]1 2325777617 OZPPEAWQXAMLGQ-CQSZACIVSA-N 311.364 2.902 0 50 DFAA C[C@]1(COC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)COC(=O)N1 861006776 DPCSXCRAMFOYLP-DAYGRLMNSA-N 317.385 2.687 0 50 DFAA Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](C)N 122510415 CFJBTINAPBIGGU-CMPLNLGQSA-N 312.845 2.512 0 50 DFAA Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)c1 255753 VBJKAIDMUUDGFV-CYBMUJFWSA-N 322.364 2.927 0 50 DFAA CCOc1cccc(C(=O)NC(=S)Nc2cccnc2)c1 361257 YYINQBNHSBGTBR-UHFFFAOYSA-N 301.371 2.607 0 50 DFAA CC(C)Oc1ccccc1NC(=O)CSc1nnc(N)s1 4841963 QGELLBFEUSZROL-UHFFFAOYSA-N 324.431 2.638 0 50 DFAA CCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)c(Cl)c1 4842824 IDBSEBFAIVQWBX-UHFFFAOYSA-N 323.824 2.747 0 50 DFAA COc1cccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 4857429 SWDNFZDCYAFYEN-UHFFFAOYSA-N 323.352 2.984 0 50 DFAA COc1ccc2c(c1)[C@@H](C(C(=O)O)C(=O)O)c1ccccc1O2 5013766 KWEFYQQAKUVDDQ-AWEZNQCLSA-N 314.293 2.718 0 50 DFAA CN(Cc1ccccc1)C(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 5029811 YWZRDDRDKCYBLK-QGZVFWFLSA-N 312.344 2.977 0 50 DFAA O=c1cc(CSc2ncccn2)nc(Nc2ccccc2)[nH]1 9264647 OGABYBSHIGXRFN-UHFFFAOYSA-N 311.370 2.596 0 50 DFAA COc1ccc(C(=O)NCCN(C)c2ccccc2)cc1OC 10113696 LLFLCAUSEVOKKE-UHFFFAOYSA-N 314.385 2.570 0 50 DFAA O=C(NCC[C@H]1CCCCO1)c1cn(C2CCCCCC2)nn1 12453655 HRZRGMVMTAXRFR-OAHLLOKOSA-N 320.437 2.862 0 50 DFAA O=C(c1cnc2ccccc2c1)c1nc2ccccc2c(=O)[nH]1 28222989 HSEIGGKZBVNIDH-UHFFFAOYSA-N 301.305 2.702 0 50 DFAA biogenic,in-vitro Cc1sc(-n2cnnn2)c(C(=O)NC2CCCCCC2)c1C 36357144 MHIRYTKRHIGYCI-UHFFFAOYSA-N 319.434 2.793 0 50 DFAA O=C(NC1CCCCCC1)N1CCN(c2ccncc2)CC1 54393080 OSVPAIOHRXMYHP-UHFFFAOYSA-N 302.422 2.636 0 50 DFAA O=C(C[C@H](c1ccccc1)c1ccc(F)cc1)NCc1ncn[nH]1 55281115 UZUUIKQDBNQSGD-MRXNPFEDSA-N 324.359 2.782 0 50 DFAA CCN(CC)Cc1nnc2sc(-c3ccc(OC)cc3)nn12 61722207 SILFJJKXLBEYCY-UHFFFAOYSA-N 317.418 2.703 0 50 DFAA Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(-c2cccnc2)n1 65371033 QGXVHDFJOAGRGZ-AEFFLSMTSA-N 318.380 2.917 0 50 DFAA O=C(NC[C@@H]1CCN(Cc2cccc(O)c2)C1)C1CCCCC1 67435287 POCNFWOJKNYEOQ-INIZCTEOSA-N 316.445 2.911 0 50 DFAA CCOC(=O)CN1CCC(c2nc3c(C)cccc3[nH]2)CC1 67695238 IJZQZFOGWLRDFP-UHFFFAOYSA-N 301.390 2.614 0 50 DFAA O=C(c1cc[nH]n1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67895126 SHKPDARMLDNSGX-FUHWJXTLSA-N 321.380 2.554 0 50 DFAA CN(Cc1cc(-c2cccnc2)no1)Cc1cccc2nonc12 77440420 VRXMPDNVYSDAIR-UHFFFAOYSA-N 321.340 2.905 0 50 DFAA COCc1ccc(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)s1 91745710 FEPUYLWOCOUKFH-MRXNPFEDSA-N 309.431 2.518 0 50 DFAA CN(Cc1nccs1)C(=O)[C@H](c1cccc(F)c1)N(C)C 95388972 QTMQLDIMHWZQKL-AWEZNQCLSA-N 307.394 2.544 0 50 DFAA CCCC[C@H](c1cccnc1)N(C)C(=O)CN1CCCCC1=O 97179313 YGAABHPPBGSNGN-MRXNPFEDSA-N 317.433 2.784 0 50 DFAA C[C@@H](O)CC(C)(C)CNC(=O)c1ccc2nc(S)oc2c1 121823875 GCWVGDFVQQEFNV-SECBINFHSA-N 308.403 2.643 0 50 DFAA CC(C)=C[C@H]1[C@@H](C(=O)NCc2nc(C(=O)O)cs2)C1(C)C 124120606 MUGIKDWUWVMHMK-CABZTGNLSA-N 308.403 2.696 0 50 DFAA CN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(-n2cccn2)cc1 128279584 DEIPHCFKXMLEMJ-INIZCTEOSA-N 314.389 2.905 0 50 DFAA FC(F)(F)c1cccc([C@H](NCc2ccon2)c2nnc[nH]2)c1 129800338 ZQPRNLXRNYSOIS-LBPRGKRZSA-N 323.278 2.691 0 50 DFAA CNC(=O)[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 133205267 WJULRKOFPBIRKZ-NSHDSACASA-N 309.797 2.638 0 50 DFAA O=C(Nc1cccc(OCC(F)F)n1)c1cccnc1S 135251290 OUGVDTJBCVBWNY-UHFFFAOYSA-N 311.313 2.662 0 50 DFAA COc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1OC1CCCC1 158107511 PTQRDECHWGNYNH-CQSZACIVSA-N 318.417 2.580 0 50 DFAA COC(=O)[C@@]12CCC[C@@H]1CN(c1noc(-c3ccccc3)n1)C2 158428335 LBZHXVOBAXRSAV-CXAGYDPISA-N 313.357 2.516 0 50 DFAA CC(C)N(CC(F)F)C(=O)c1ccc(Br)cn1 162056605 BXXBGYQJGNNJEA-UHFFFAOYSA-N 307.138 2.960 0 50 DFAA O=C(c1ccc(Cl)cc1O)N1CCC(CN2CCCC2)CC1 171138744 HKUMPJUXTDSYGY-UHFFFAOYSA-N 322.836 2.994 0 50 DFAA Cc1cccc2cc(C(=O)NC[C@@H](CO)Cc3ccco3)oc12 215645807 RWYYBHWITBKYAT-ZDUSSCGKSA-N 313.353 2.915 0 50 DFAA O=C(c1ccnnc1)N1CCCC[C@@H]1CCc1ccc(O)cc1 220160039 FDRHFMUTUMLRKM-MRXNPFEDSA-N 311.385 2.810 0 50 DFAA CCc1nc(C)cc(N2C[C@@H](O)C[C@@H]2c2cccc(OC)c2)n1 225474883 VGTWWVSPIHSCTQ-GOEBONIOSA-N 313.401 2.668 0 50 DFAA COCc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)o1 225678832 IDNFAUZVRJWYDW-UKRRQHHQSA-N 319.332 2.513 0 50 DFAA COc1cccc(/C=C/C(=O)N2CCCC[C@H]2CCC(=O)O)c1 237345557 YLUPTXCSAYHBEN-HQPKTYMTSA-N 317.385 2.954 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)COc2ccccc2C(C)(C)C)C1 237414474 NGDHCVDUWCHGKF-GJZGRUSLSA-N 318.461 2.949 0 50 DFAA COC(=O)[C@@H]1CC12CCN(C(=O)c1ccoc1C1CC1)CC2 241515625 OGOMJFKVBXMKHI-ZDUSSCGKSA-N 303.358 2.572 0 50 DFAA COc1ccc(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@H](O)C2)cc1 244858443 VLDLWMMEKJGAJC-JFIYKMOQSA-N 311.381 2.937 0 50 DFAA Cc1n[nH]c(C)c1CCN(C)Cc1nnc(-c2ccccc2)o1 244874164 WVUKAJPKDNUXNS-UHFFFAOYSA-N 311.389 2.751 0 50 DFAA C[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]1c1ccc[nH]1 252498040 KCKXSHFYVGNUSE-ZBFHGGJFSA-N 304.438 2.736 0 50 DFAA CN(CC(=O)O)[C@@H]1CCCN(Cc2cccc(C3CC3)c2)CC1 263371614 VNEIYPGSFZKRQG-GOSISDBHSA-N 316.445 2.935 0 50 DFAA O=C(O)[C@H]1C[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 263568855 HEHYDOPFJISONU-MNOVXSKESA-N 301.264 2.841 0 50 DFAA CN(C)C/C=C/C(=O)N(CCc1ccccc1)Cc1cccnc1 265591483 AVDZZXCSXQYQSJ-YRNVUSSQSA-N 323.440 2.771 0 50 DFAA CC(C)c1noc([C@H](NC(=O)c2ccoc2)C2CCOCC2)n1 275281875 KRHNBLGVBPLDDQ-CYBMUJFWSA-N 319.361 2.684 0 50 DFAA COCCC1(C)CN(C(=O)[C@H]2COc3cc(C)c(C)cc32)C1 291286241 RENOTSNKUVGICF-HNNXBMFYSA-N 303.402 2.664 0 50 DFAA Cn1cc(C2CCN(C[C@H](O)c3ccccc3Cl)CC2)cn1 299656846 ZOUGXHIEOYBCNK-KRWDZBQOSA-N 319.836 2.987 0 50 DFAA CCN(CC)CCN1CCC[C@H]1c1nc2c(n1C)CCCC2 328626484 FCTZGQSPVJBASV-KRWDZBQOSA-N 304.482 2.778 0 50 DFAA CCCc1nc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cs1 328638812 WMJPTZADOGNKRB-CHWSQXEVSA-N 322.434 2.749 0 50 DFAA CN1CC[C@@H](CNCc2cccc3cn[nH]c23)[C@@H]1c1cccnc1 328655362 YFYMDRZBDOHDBI-HKUYNNGSSA-N 321.428 2.741 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ccnn2[C@H](C)C2CC2)C[C@H](C2CC2)O1 329831297 KNECRWMDRWJXMU-LALPHHSUSA-N 318.421 2.885 0 50 DFAA Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2ccc(F)c(F)c2)cn1 374308968 LCPOUZZGXPDCTQ-PBHICJAKSA-N 321.371 2.786 0 50 DFAA O=C([C@H]1CCCc2n[nH]cc21)N1CC=C(c2ccccc2F)C1 374840534 XXEDAOONJMICQE-AWEZNQCLSA-N 311.360 2.895 0 50 DFAA Cc1ccc2[nH]c(C(=O)N3CCC[C@@](F)(CO)C3)c(C)c2c1 376415245 RYTNNNRETIEZOZ-KRWDZBQOSA-N 304.365 2.721 0 50 DFAA C[C@@H](c1nc(O)c2ccccc2n1)N1CCCOC(C)(C)C1 377709435 UTJBPQBFMPLHHK-LBPRGKRZSA-N 301.390 2.897 0 50 DFAA COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(O)nc1 390833983 PWZDDHVNHYAVAI-CQSZACIVSA-N 320.776 2.900 0 50 DFAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1-n1cccn1 408474450 XRMYRWIVHLKAGR-RDJZCZTQSA-N 313.401 2.694 0 50 DFAA c1ccc(CN2CC[C@H](CNCc3cnc(C4CC4)nc3)C2)cc1 459524433 KFGBGSVTLNRSPI-QGZVFWFLSA-N 322.456 2.966 0 50 DFAA COC1CCN(C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 497026644 FQSNYCZROXXHBY-CQSZACIVSA-N 314.470 2.894 0 50 DFAA COCCC1(c2noc([C@H](C)c3cnn(C)c3)n2)CCCC1 585120519 SOSUWSAWWJYVLZ-GFCCVEGCSA-N 304.394 2.803 0 50 DFAA C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccncc3)CC2)CC1 585120726 GAKNRULTZYBANX-MRXNPFEDSA-N 315.461 2.942 0 50 DFAA CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 585126357 XDWOWJDPEGUVLY-SMSYFYOWSA-N 311.397 2.562 0 50 DFAA CC(C)(C(=O)Nc1cccc(OCC(=O)O)c1)[C@H]1CCCCO1 630135313 KQACMKDSFTXIMR-CQSZACIVSA-N 321.373 2.684 0 50 DFAA CC(C)(C)c1cc(C(=O)N[C@H](CCCN)c2ccccc2)[nH]n1 643601442 ZWSIUEKHPUJMGR-CQSZACIVSA-N 314.433 2.917 0 50 DFAA CCO[C@@H]1C[C@H](N[C@@H](C)c2nccn2C)[C@@H]1Oc1ccccc1 658336219 PNMNSBZQCZILJM-LLLHUVSDSA-N 315.417 2.696 0 50 DFAA CCc1ccsc1C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659203559 GSNNFPSNPSRLGS-UHFFFAOYSA-N 307.375 2.579 0 50 DFAA Cc1cccc([C@H]2CCCN2c2nc(O)c3cnn(C)c3n2)c1 674063484 CHKJMSBCCAGBRV-CQSZACIVSA-N 309.373 2.719 0 50 DFAA Cc1cc(C)nc(SC[C@@H](C)NCc2noc(C3CC3)n2)n1 821396961 QWRABMFZGHMIQO-LLVKDONJSA-N 319.434 2.624 0 50 DFAA CCc1nc(C)c(-c2ncnn2-c2ccc3c(c2)OCCO3)o1 823549995 FKFKBHZVOQHVKE-UHFFFAOYSA-N 312.329 2.564 0 50 DFAA CO[C@@]1(c2nnc(-c3cnc4ccccc4c3C)o2)CCOC1 886085434 HDLUTFBWFHLQCA-KRWDZBQOSA-N 311.341 2.855 0 50 DFAA C=CC(=O)N(CC)CC(=O)N(C)[C@H](C)c1ccccc1Cl 900126655 CXHCZKLNDOYHLF-GFCCVEGCSA-N 308.809 2.894 0 50 DFAA Cc1nc2ccc(Cl)cn2c1NC(=O)[C@@H]1CCCN1C1CC1 912538542 YPMCIDGJLOKCGK-ZDUSSCGKSA-N 318.808 2.861 0 50 DFAA CC(C)C[C@@H]1CN(C)CCN1C(=O)Nc1cn(C)nc1C(C)C 931249170 OHRSTIZMGFMITA-CQSZACIVSA-N 321.469 2.738 0 50 DFAA CCc1nccn1[C@@H](C)CC(=O)N(Cc1ccc(C)o1)OC 952993166 PBOJMZBTLFMZCT-LBPRGKRZSA-N 305.378 2.888 0 50 DFAA CCCOC[C@@H]1CCN(C(=O)c2cnn3cc(C)ccc23)C1 1772705730 ZKFXRJKKRAHWEW-CQSZACIVSA-N 301.390 2.531 0 50 DFAA Cc1cc(O)c(Cl)cc1-c1ccc(N2CCN(C)CC2)nn1 1772709607 QRROLNSJWWIZEE-UHFFFAOYSA-N 318.808 2.563 0 50 DFAA CC(C)N1C[C@H](CN2CCOc3ccccc3C2)CCC1=O 1772809332 SRJYCKNASJXKEA-HNNXBMFYSA-N 302.418 2.528 0 50 DFAA Cc1nc(-c2nccn2-c2ccc3ncn(C)c3c2)n(C)c1C 1775980073 SGBRBRNFIVLOFZ-UHFFFAOYSA-N 306.373 2.776 0 50 DFAA CN(C)CCOCCN[C@@H](Cc1ccncc1)c1ccccc1 1775993507 DKVCEQWFBDQHMN-IBGZPJMESA-N 313.445 2.533 0 50 DFAA CC(C)OCc1cc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1F 1776007275 MVILIXYUAJSWLP-JCURWCKSSA-N 321.392 2.736 0 50 DFAA COc1cccc(CCC(=O)Nc2cccc3nn(C)nc23)c1 1875247785 OHDPROXQLJTNCE-UHFFFAOYSA-N 310.357 2.548 0 50 DFAA C[C@@H]1C[C@@H]1c1nc(C2(NC(=O)OC(C)(C)C)CCOCC2)no1 1875273046 ZISFLDGJTHLLNH-MNOVXSKESA-N 323.393 2.723 0 50 DFAA N[C@H]1CC[C@H](C(=O)NC23CCC(F)(CC2)C3)CCC1(F)F 2325779149 JMKOQFAVTXAYNZ-BCVKRFQSSA-N 304.356 2.680 0 50 DFAA Cc1nccn1CCNCc1c(O)nc2ccccc2c1Cl 2325789078 KTQLCJXBKGEQAO-UHFFFAOYSA-N 316.792 2.889 0 50 DFAA CN1CCC[C@]2(CCCN2C(=O)Nc2ccc(Cl)cc2)C1=O 2356151199 WWWOGAUMTIMYTD-INIZCTEOSA-N 321.808 2.959 0 50 DFAA Cc1ccc(S(=O)(=O)n2nnc3ccccc32)c(C)c1C 310013 HAAOVWXFBHWGCZ-UHFFFAOYSA-N 301.371 2.594 0 50 DFAA COc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 361277 GAROFVDRIILTPO-UHFFFAOYSA-N 304.346 2.961 0 50 DFAA c1ccc(CNn2c(N3CCOCC3)nc3ccccc32)cc1 434526 UUUALSMASWNDAV-UHFFFAOYSA-N 308.385 2.617 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)ccc1C 451973 WFUZGPRIKSXVIG-CQSZACIVSA-N 304.415 2.659 0 50 DFAA Cc1cccc(OCC(=O)NC(=S)Nc2ccccc2O)c1 513722 ILYJAADVFIACKT-UHFFFAOYSA-N 316.382 2.593 0 50 DFAA CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C 1206152 PYTLBRPIVVPBLE-UHFFFAOYSA-N 319.382 2.973 0 50 DFAA COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1 1389027 BZBBTGCKPRSPGF-UHFFFAOYSA-N 309.321 2.757 0 50 DFAA in-vitro O=C(c1cccs1)N1CCN(C(=O)N2CCCCCC2)CC1 4856020 OAOQZIDEONYMBC-UHFFFAOYSA-N 321.446 2.502 0 50 DFAA CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(N)=O)cc1 6703158 FJGDGUZAUBEINR-HNNXBMFYSA-N 312.369 2.890 0 50 DFAA O=C1Nc2ccc(F)cc2[C@@H]1NC(=O)[C@@H]1CCc2ccccc2C1 102324743 KKUUKNYLGBPOGZ-DYVFJYSZSA-N 324.355 2.740 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(Cc3c(Cl)ccc(O)c3Cl)C[C@H]12 102526774 HZLSGSZEXDGVPP-RTCCRHLQSA-N 315.244 2.938 0 50 DFAA C[C@@H]1CCN([C@@H]2CCc3ccccc3NC2=O)C[C@H]1n1ccnc1 248916736 ZZQWLAJPFSNDRM-ZTFGCOKTSA-N 324.428 2.720 0 50 DFAA CC(C)(CNC(=O)[C@@H]1CCCCO1)N1CCc2ccccc2C1 119095249 ZHNISFITWBGEGT-KRWDZBQOSA-N 316.445 2.509 0 50 DFAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)[C@@H](O)C2CCCCC2)C1 249850588 PJCYAUDMOGSQPR-COXVUDFISA-N 302.418 2.932 0 50 DFAA C[C@H]1CN(c2ccccc2)CCN1C(=O)Cc1ccc(O)cc1 67674515 MNMYXLYLLKYWFM-HNNXBMFYSA-N 310.397 2.672 0 50 DFAA Cc1ccc(C)c([C@H](NC(=O)c2nnc(C)o2)c2cccnc2)c1 67947655 XQVBMJSKFIDZAW-MRXNPFEDSA-N 322.368 2.909 0 50 DFAA CCCC(=O)N1CCC(c2nc([C@@](C)(OC)C3CC3)no2)CC1 350461177 NUFVTWFSNGVKQS-KRWDZBQOSA-N 321.421 2.847 0 50 DFAA Cc1csc(S(=O)(=O)N2CCC[C@H]2c2cc(C)no2)c1 331374302 CNBNZMQABGZVTF-NSHDSACASA-N 312.416 2.879 0 50 DFAA O=C(N[C@H]1CCCCC[C@H]1C(=O)O)c1csc(C2CC2)n1 120178449 DKXPKXLFWPWUCH-MNOVXSKESA-N 308.403 2.784 0 50 DFAA CCOC(=O)CC[C@@H](C)NC(=O)c1ccc2nc(S)oc2c1 121401106 YQXULWHVZWJTPZ-SECBINFHSA-N 322.386 2.578 0 50 DFAA COc1cc(C)sc1C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 154187975 FBQVIMAFKOGNEP-OLZOCXBDSA-N 308.447 2.621 0 50 DFAA Cc1nc(C)n(CCCNc2cc(C(C)C)nc3ccnn23)n1 72167205 WIWKUWRYOGYIRV-UHFFFAOYSA-N 313.409 2.563 0 50 DFAA CCNc1nc(C)cc(Nc2ccc(NC(=O)COC)cc2)n1 72434139 HVYKQBJAWVERAS-UHFFFAOYSA-N 315.377 2.545 0 50 DFAA Cc1cccnc1CNS(=O)(=O)CC12CCC(CC1)CC2 330347890 IEVPHQLELAUYMR-UHFFFAOYSA-N 308.447 2.780 0 50 DFAA O=C(CCOc1ccc2ccccc2c1)N1C[C@H](F)C[C@@H]1CO 366020587 WBCZWAQCFHDRRK-HZPDHXFCSA-N 317.360 2.540 0 50 DFAA O=C(N[C@H]1CCNC1)OCC1c2ccccc2-c2ccccc21 39952839 QWZBVHPYOLIGBQ-ZDUSSCGKSA-N 308.381 2.887 0 50 DFAA C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CC[C@@H]1C(=O)O 262860490 FIPNXIFQPGHWMA-RDYIKARRSA-N 305.349 2.798 0 50 DFAA Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(OCC(=O)O)cc2)o1 263049284 NULJGRUVCFGQQQ-GFCCVEGCSA-N 317.341 2.851 0 50 DFAA Cc1cc(NCC2(Cn3cccn3)CC2)n2nc(C)c(C)c2n1 72433832 MCOBLPUOQKLXBO-UHFFFAOYSA-N 310.405 2.743 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCC[S@](=O)C(C)(C)C 246531593 LEGIXPUVPJEDFI-VOUMKBAESA-N 314.495 2.896 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2F)CC1 457084832 NDCNLDLZYBVAMG-CYBMUJFWSA-N 308.397 2.780 0 50 DFAA CCc1ccc(CC(=O)N2CCO[C@](C)(c3ccccc3)C2)nc1 612359282 IPAMWWOETFIVGY-FQEVSTJZSA-N 324.424 2.961 0 50 DFAA Cc1ccc2c(c1)CN(Cc1cn(C(C)(C)C)nn1)CCO2 289740601 QBZBMDLBZMNLED-UHFFFAOYSA-N 300.406 2.736 0 50 DFAA O=C(CSc1ccccc1)NCCCNc1cccnc1 222977438 BONSHRAZCKHOOV-UHFFFAOYSA-N 301.415 2.792 0 50 DFAA CCc1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 47988638 VEGQOBDPGKMWQD-UHFFFAOYSA-N 303.406 2.581 0 50 DFAA COc1ccccc1CCNC(=O)c1csc(NC2CC2)n1 40284098 IXUIDAXZEBZIAK-UHFFFAOYSA-N 317.414 2.699 0 50 DFAA CCc1ccc(CN2CCC[C@H](N3CCC(CO)CC3)C2)o1 20453626 VCGHVORVALSHJV-INIZCTEOSA-N 306.450 2.511 0 50 DFAA O=C(O)C[C@H]1COCCN1Cc1ccc(Cl)cc1Cl 97506080 GKNZYUOEHXIWQS-NSHDSACASA-N 304.173 2.669 0 50 DFAA Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)c1 237657697 BGXNOAFNPGPQJF-LSDHHAIUSA-N 319.401 2.866 0 50 DFAA CSc1ccccc1[C@@H](C(=O)O)N(C)CC1CCOCC1 95382552 SKFAVGTYCAHSQS-HNNXBMFYSA-N 309.431 2.893 0 50 DFAA COc1ccc(F)c(C(=O)N2CC[C@](C)(O)C(C)(C)C2)c1F 91593692 NGEDJDIHRDZYJS-INIZCTEOSA-N 313.344 2.597 0 50 DFAA COCCc1noc(-c2ccc(CN3CCCCC3)cc2)n1 95378098 NYYLOEAUXNJVEA-UHFFFAOYSA-N 301.390 2.911 0 50 DFAA CCCn1cc(CNC(=O)c2c[nH]nc2C2CCCCC2)cn1 91818800 BSNUJCOTSWFGMT-UHFFFAOYSA-N 315.421 2.994 0 50 DFAA CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)C1CCCCC1 95530676 FLHNHVIFFRHTPF-MRXNPFEDSA-N 316.401 2.971 0 50 DFAA Cc1nn(C)cc1CN(C)C[C@H]1CCN(Cc2ccccc2)C1 93336745 MWMSWJFWJLSAAY-GOSISDBHSA-N 312.461 2.682 0 50 DFAA CC(C)c1nnc(C(=O)Nc2cccc(C[S@](C)=O)c2)s1 253404959 WOIMTWPAWHXKEP-NRFANRHFSA-N 323.443 2.792 0 50 DFAA CC(=O)N1CC(Nc2cccc3c2ccn3CC(C)C)=CC1=O 253406349 IVLKPNQFYMSCRY-UHFFFAOYSA-N 311.385 2.982 0 50 DFAA biogenic CC(C)c1nc([C@H]2CCCN2CCOC[C@H]2CCCO2)no1 257365534 KHRLAPQILIKRLD-ZIAGYGMSSA-N 309.410 2.526 0 50 DFAA CC(C)c1nccn1CCCNC(=O)c1cnc(O)c(Cl)c1 828197724 JOBWBIFIGHIXFR-UHFFFAOYSA-N 322.796 2.581 0 50 DFAA C[C@@H](CCn1cccn1)N1CCC(CCN2CCCC2)CC1 670452240 MDLDZZPODHYPKA-KRWDZBQOSA-N 304.482 2.860 0 50 DFAA O=C(NC1CCCC1)c1ccccc1OC[C@@H]1C[N@@]1CC1CC1 1875385094 MQQYECIJSSUEEZ-HRAATJIYSA-N 314.429 2.832 0 50 DFAA C[C@H]1OCC[C@@]1(C)C(=O)NCc1nc(C2CCCCC2)no1 1875320317 PCJVWKOUOJIRNO-BDJLRTHQSA-N 307.394 2.549 0 50 DFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(Cl)c(Cl)c2)cn1 1875378923 KZQIBBANNLTWMU-WLRWDXFRSA-N 312.200 2.990 0 50 DFAA C=CC(=O)N1CCCc2cc(C(=O)Nc3ccccn3)ccc21 1875371431 ARSGATGUPCHGTJ-UHFFFAOYSA-N 307.353 2.799 0 50 DFAA COc1c(Cl)cccc1NC(=O)c1nnn2ccccc12 1875341401 RDEYUQZHOBUPDN-UHFFFAOYSA-N 302.721 2.644 0 50 DFAA O=C(/C=C/c1cc(CO)cs1)NCc1ccc2c(c1)CCO2 952973892 GWJRAJWABAGAGN-DUXPYHPUSA-N 315.394 2.505 0 50 DFAA C1=C[C@]2(CCCN(c3ncnc4[nH]cnc34)C2)Oc2ccccc21 896884857 BDSMQXJLZQAWQZ-SFHVURJKSA-N 319.368 2.798 0 50 DFAA Cc1nc(C(C)C)oc1C(=O)N1CCn2c(Cl)cnc2C1 1775989898 CGESUUQZSJKROQ-UHFFFAOYSA-N 308.769 2.612 0 50 DFAA Cc1ccc2sc(NCc3nc([C@@H]4CCOC4)n[nH]3)nc2c1 1472832373 GKETXHGNEACUNX-SNVBAGLBSA-N 315.402 2.839 0 50 DFAA O=C(O)COc1cccc(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)c1 630135029 GEZHEAMODCOOBU-BPQIPLTHSA-N 323.348 2.674 0 50 DFAA C[C@@H]1C[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)CCO1 630328025 DTQUBKFVGLWBNH-WAZAZEMKSA-N 303.358 2.628 0 50 DFAA Cn1cncc1[C@H]1C[C@H](NCc2cccc3cc[nH]c23)CCO1 275359176 ASWSWAZOWCNEIS-NVXWUHKLSA-N 310.401 2.911 0 50 DFAA C[C@H](CCc1cccc(F)c1)C(=O)N[C@@](C)(C(=O)O)C1CC1 170592087 KEBYNDDGFPIZKR-PIGZYNQJSA-N 307.365 2.764 0 50 DFAA Cc1cc[nH]c1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 280507931 AIORAZZEIWGIDN-SMDDNHRTSA-N 306.312 2.549 0 50 DFAA C[C@@H]1CN(C(=O)c2ccccc2-c2cn[nH]c2)C[C@H](C2CC2)O1 635874238 DJDJKXYTPQTANU-SJKOYZFVSA-N 311.385 2.716 0 50 DFAA O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NS(=O)(=O)c1sccc1Cl 408499739 OQMSZTTXFQXHMP-VGMNWLOBSA-N 319.835 2.643 0 50 DFAA O=C(c1c[nH]nc1-c1ccsc1)N1CCO[C@@H]2CCCC[C@H]21 188424670 QATCNONZPJSOGJ-ZIAGYGMSSA-N 317.414 2.922 0 50 DFAA CCc1nc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)sc1C(=O)OC 225443406 SJEJXFYGWCGGOS-OINDSLJFSA-N 320.414 2.723 0 50 DFAA COc1cccc(CCCN(CCCO)Cc2ccccn2)c1 225519790 ONHMGRRCQWUFKZ-UHFFFAOYSA-N 314.429 2.907 0 50 DFAA Cc1cccc(C)c1C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 585087840 WOZVTCKEERLJMB-CVEARBPZSA-N 313.401 2.687 0 50 DFAA CCNc1ccc(Cl)cc1NC(=O)[C@H]1CCCCC(=O)N1 194465415 UEXOMVRUUVYGFJ-GFCCVEGCSA-N 309.797 2.769 0 50 DFAA CN(C)Cc1cccc(NC(=O)[C@@H](C(=O)O)C2CCCC2)c1 663112030 CWCUTLRJFVWNLJ-HNNXBMFYSA-N 304.390 2.578 0 50 DFAA COc1ccc(-c2nccc(N3C[C@@H](C)C(O)[C@H](C)C3)n2)cc1 664348480 QWKICBOXQQPEGP-CHWSQXEVSA-N 313.401 2.605 0 50 DFAA O=C(c1ccc(O)nc1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529112251 HQEWSEPACXPPAK-DLBZAZTESA-N 324.380 2.780 0 50 DFAA CN(C(=O)Cc1ccc(F)cc1F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529159013 MGNYRBHEKMNAOM-CUFDPUGPSA-N 309.356 2.515 0 50 DFAA c1ccc(O[C@H]2COCC[C@@H]2Nc2cnc3ccccc3n2)nc1 1615721996 OGQCKZZYRXFWDO-HOTGVXAUSA-N 322.368 2.673 0 50 DFAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cncc(Cl)c1 1616031876 AEZPGPNARJPHMT-GJZGRUSLSA-N 320.824 2.961 0 50 DFAA COc1ccc(Cl)cc1CN(C)C[C@H]1CCC(=O)N(C)C1 1775982365 KYQBPCLQGSQSLI-GFCCVEGCSA-N 310.825 2.649 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)on1 1775979788 YUHRQEHYINXKGV-QGZVFWFLSA-N 314.389 2.641 0 50 DFAA Cc1c(C(=O)N(C)C)sc2ncnc(NCc3ccco3)c12 12049406 AEDHXBXIOFAUCN-UHFFFAOYSA-N 316.386 2.907 0 50 DFAA CCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 12653237 PYLFIQHIDBRCDS-HXUWFJFHSA-N 317.392 2.924 0 50 DFAA biogenic O=C(CCc1ccncc1)NC1CCN(c2ccccc2)CC1 19731956 DZOAIGBHLOEYJA-UHFFFAOYSA-N 309.413 2.799 0 50 DFAA Cc1nc(CN(C)c2cc(C(N)=O)c3ccccc3n2)cs1 1857680959 YVYXVESSALNZLG-UHFFFAOYSA-N 312.398 2.735 0 50 DFAA COc1ccc(-c2nccn2CC[C@@H]2CCOC2)c(OC)c1 1857720547 ZCMRMBLLSMOGDN-CYBMUJFWSA-N 302.374 2.994 0 50 DFAA CCC(=O)N1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857730219 MYXWYPDJKGESAO-SFHVURJKSA-N 317.433 2.696 0 50 DFAA CO[C@@]1(C)CCCN(C(=O)NCc2ccc(C)c(C)n2)CC1 332338066 RPNRHNYCTADKGF-KRWDZBQOSA-N 305.422 2.799 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cn1 238002104 VSEIQEPHZXOTLL-UHFFFAOYSA-N 316.744 2.632 0 50 DFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H](n2ccnn2)CC1 585127548 CZZDWQPVLZXEGL-CAOSSQGBSA-N 302.422 2.658 0 50 DFAA O[C@@H](CN1CCNCCC12CCC2)c1ccc(F)cc1Cl 923422752 MSOOLIJCHGRIJS-HNNXBMFYSA-N 312.816 2.731 0 50 DFAA O=C(NCC[C@@H]1CCCNC1)c1cc(F)c(F)cc1Cl 170048279 NZQCRAIAOFPBSF-VIFPVBQESA-N 302.752 2.738 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)n1nc(C)c(Cl)c1C 4727058 OUWMXFIEISXPFN-UHFFFAOYSA-N 318.757 2.538 0 50 DFAA COCCN1CCC[C@@]2(CCCN2Cc2cccc(C)c2)C1=O 2100539824 ZTQNVTQPVPAFJM-LJQANCHMSA-N 316.445 2.598 0 50 DFAA O=C(CCc1ccc(O)nc1)N1CCC[C@H]([C@@H]2CC2(F)F)C1 2325797708 NHKKQWGYSPDVLP-STQMWFEESA-N 310.344 2.614 0 50 DFAA Cc1nc[nH]c1CNC(=O)c1ccc2ccn(CC(F)F)c2c1 2325808343 RRNHALKXVGHRLI-UHFFFAOYSA-N 318.327 2.868 0 50 DFAA COc1ccc([C@H]2[C@@H]3COC(C)(C)CC3=NN2C(C)=O)cc1 379357 DEYWYIBQEVBCGD-ZBFHGGJFSA-N 302.374 2.770 0 50 DFAA COCCCNCCOc1ccc(C)cc1Br 2510383 QMWOQZIEBGTDMH-UHFFFAOYSA-N 302.212 2.762 0 50 DFAA C[C@]1(C(=O)N2CCN(c3ccccc3)CC2)CC1(Cl)Cl 2872609 HUKSHKNQLHGGOR-CQSZACIVSA-N 313.228 2.919 0 50 DFAA Cc1cc(C)cc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)c1 4385179 QAFIPGPVUMKMAB-AWEZNQCLSA-N 312.369 2.566 0 50 DFAA CCc1nnc(SCC(=O)Nc2ccccc2F)n1CC 6725791 UAIDTNLYYJVCMO-UHFFFAOYSA-N 308.382 2.730 0 50 DFAA COc1cc(NC(=O)CN2CCCCC2)c(OC)cc1Cl 6731320 OCVKPZGNQQAWJG-UHFFFAOYSA-N 312.797 2.782 0 50 DFAA COc1ccc2ccccc2c1CNC(=O)CCc1ccnn1C 118972701 SCVOZAHHWWFYCX-UHFFFAOYSA-N 323.396 2.831 0 50 DFAA Cc1ccccc1C(=O)N[C@H](C)C(=O)Nc1ccccc1F 20276171 ZLUVSURBUFNYQS-GFCCVEGCSA-N 300.333 2.891 0 50 DFAA COC(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 9194931 QLNKNVYGZOYLIM-UHFFFAOYSA-N 313.338 2.730 0 50 DFAA COc1cccc(NC(=O)[C@H](C)NC(=O)c2cccs2)c1 20400073 SLTYEBSDXTXYBC-JTQLQIEISA-N 304.371 2.514 0 50 DFAA CC(C)(C(=O)N[C@@H]1CCN2CCCC[C@@H]12)c1ccccc1F 248172831 TUTWTLJLEZAECX-CVEARBPZSA-N 304.409 2.846 0 50 DFAA CCn1c(NC(=O)CN2CCC(C)CC2)nc2ccccc21 136107901 NLJGEWBXRFPAQC-UHFFFAOYSA-N 300.406 2.727 0 50 DFAA CCc1nc(CN2CCc3[nH]c4ccc(F)cc4c3C2)no1 171928600 FSRFNGXUAWRXJX-UHFFFAOYSA-N 300.337 2.811 0 50 DFAA CC[C@@H](CO)N(Cc1ccccn1)Cc1cnc2ccccc2n1 63855488 OOMMZGUXHWSJSY-KRWDZBQOSA-N 322.412 2.798 0 50 DFAA COc1cc(CN2CCN(c3cccnc3)CC2)ccc1F 216064924 LUHSEECOJLOGDS-UHFFFAOYSA-N 301.365 2.552 0 50 DFAA O=C(N[C@H]1CC[C@H](CO)CC1)c1sccc1Br 152183234 ZDAUYTMVPRUIGB-DTORHVGOSA-N 318.236 2.792 0 50 DFAA CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCC(F)(F)F)C1 173274360 JBKARSYTAVCULF-GFCCVEGCSA-N 300.324 2.848 0 50 DFAA Cc1csc(-c2noc(-c3ccc(S(C)(=O)=O)cc3)n2)n1 356675005 CTWIAXGHJQSBFG-UHFFFAOYSA-N 321.383 2.572 0 50 DFAA Cc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)n(C)n1 360931520 OREYTTRTEKNGTL-UHFFFAOYSA-N 309.373 2.783 0 50 DFAA CN(C)Cc1cc(-c2noc([C@H]3CCCOC3)n2)ccc1F 357038543 ZCNIBMVFQZGMSB-LBPRGKRZSA-N 305.353 2.831 0 50 DFAA CN(Cc1ccon1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328647329 TZLJCFXVUSQOPC-JTQLQIEISA-N 314.311 2.584 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)O 2390934 IFVORPLRHYROAA-GFCCVEGCSA-N 311.403 2.898 0 50 DFAA biogenic,in-vitro Cn1ncc2c1ncn1nc([C@@H]3C[C@H]3c3ccc(Cl)cc3)nc21 2802201 ZBKFHFYILDRZAF-NWDGAFQWSA-N 324.775 2.936 0 50 DFAA COCCNC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 4511939 NOGHBMNSONZPSV-UHFFFAOYSA-N 322.364 2.780 0 50 DFAA CCc1nc(C)cc(N2CC[C@@H](OCc3c(C)noc3C)C2)n1 367327781 UHBNFTICZAGJCM-CQSZACIVSA-N 316.405 2.748 0 50 DFAA CO[C@@H](Cn1cnc2c(F)cccc2c1=O)c1cccs1 32592796 POYRLWAXUZAIAZ-LBPRGKRZSA-N 304.346 2.985 0 50 DFAA Cc1cc(=O)c2ccccc2n1CC(=O)N1C[C@H]2CC=CC[C@H]2C1 71730294 OHMUPADUIYAJHJ-IYBDPMFKSA-N 322.408 2.735 0 50 DFAA O=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C/C=C/c1ccc(F)cc1 262829759 CEKFXWIMLKPEFK-HVLSWAFWSA-N 317.360 2.941 0 50 DFAA CC(C)c1nc(NC[C@H](O)c2ccccc2)c2cnn(C)c2n1 72151790 YDRFIUVPTOHBRC-AWEZNQCLSA-N 311.389 2.632 0 50 DFAA Cc1ccc2c(CC(=O)N3CC[C@H](C(=O)O)C3)coc2c1C 237872131 BRMZARFQSFJCSD-LBPRGKRZSA-N 301.342 2.525 0 50 DFAA Cc1cccc(O[C@H](C)C(=O)NCCC2CCN(C)CC2)c1 72437722 RBONVHDNXVDCCL-OAHLLOKOSA-N 304.434 2.610 0 50 DFAA Cc1cc(C)n2ncc(CN(C)Cc3n[nH]c4c3CCCC4)c2n1 215708416 VHOYUFUJQOHNNC-UHFFFAOYSA-N 324.432 2.580 0 50 DFAA Cn1ccnc1CN1CCC[C@@](CO)(CCc2ccccc2)C1 15076968 DAKQWGVIHYFYSH-LJQANCHMSA-N 313.445 2.627 0 50 DFAA Cc1nn(CCC(=O)N(C)CCC[C@H]2CCCO2)c(C)c1C 218976124 PKMZQDMCUNPWOJ-INIZCTEOSA-N 307.438 2.616 0 50 DFAA c1ccc(CO[C@@H]2CCCN(Cc3cccc4nonc34)C2)nc1 215277641 FQWZOHBPIARYPF-MRXNPFEDSA-N 324.384 2.799 0 50 DFAA Nc1nc(N2CCN(C3CCCCC3)CC2)nc2ccccc12 41146433 VMGYNYHSJPYNIP-UHFFFAOYSA-N 311.433 2.667 0 50 DFAA CCn1cc(CNc2nc(-c3cccnc3)nc(C)c2C)cn1 286542040 ZHQXMLQXRMCTQM-UHFFFAOYSA-N 308.389 2.984 0 50 DFAA COc1ccc(CCN[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC 241277597 LHLDRDWZNZTXQN-KBRIMQKVSA-N 305.418 2.649 0 50 DFAA CCCn1cc(CNC(=O)CCc2ccc(N(C)C)cc2)cn1 223842084 JFINJRJODWAZST-UHFFFAOYSA-N 314.433 2.608 0 50 DFAA CC[C@@H](NC(=O)c1ccc2cccc(F)c2n1)C1CC(O)C1 220167401 AQEIGZKZCIYNHO-ORHYLEIMSA-N 302.349 2.653 0 50 DFAA C[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1 426386469 UHYPDUSSDQOKKD-CQSZACIVSA-N 311.381 2.879 0 50 DFAA CCOc1ncccc1C(=O)N1CCc2[nH]nc(C(C)C)c2C1 48194482 AJQYVKKPUICXPP-UHFFFAOYSA-N 314.389 2.525 0 50 DFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCc1c[nH]cn1 92022643 IRKWGSQSUYUYET-UHFFFAOYSA-N 310.401 2.718 0 50 DFAA COC(=O)c1cc(I)c(Cl)cc1F 95836401 GMGUTTOUXVNUSP-UHFFFAOYSA-N 314.481 2.870 0 50 DFAA Cc1cccc([C@H](C(=O)N2CC(c3cccnc3)C2)N(C)C)c1 95374222 YMXYNHYWWWGFLR-GOSISDBHSA-N 309.413 2.619 0 50 DFAA Cc1ccncc1C(=O)N1CCC[C@H](OCc2cccnc2)C1 91586907 LXIPMWUPIRHOPR-INIZCTEOSA-N 311.385 2.606 0 50 DFAA Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1 91755387 GKFCDPCVDHEPFL-HNNXBMFYSA-N 323.400 2.927 0 50 DFAA CC1(C)[C@@H](NS(=O)(=O)C[C@H]2CCCCO2)[C@@H]1c1ccccc1 625351934 GTDQTPBFZOFRLE-PMPSAXMXSA-N 323.458 2.667 0 50 DFAA COc1ccc([C@H](NC(=O)CC2CCCC2)[C@H]2C[C@@H](O)C2)cn1 252522885 BIVRHWQDEOXTAR-DAYGRLMNSA-N 318.417 2.599 0 50 DFAA C[C@H](CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C1CC1)C(=O)O 299744431 OTXDFXGBKZAELA-IIMNLJJBSA-N 323.339 2.780 0 50 DFAA C[C@@H]1Cc2cc(CNC(=O)c3n[nH]c4c3CCCC4)ccc2O1 534640014 WDBOKOOYLFZHPW-LLVKDONJSA-N 311.385 2.542 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)NCc1cc(C2CC2)on1 534589123 KSISLMBDDZUWMB-UHFFFAOYSA-N 306.749 2.770 0 50 DFAA CCC1=NO[C@H](CNC(=O)Nc2ccc3ncsc3c2)C1 299774991 JMNOHFUKDZPGOS-NSHDSACASA-N 304.375 2.973 0 50 DFAA Cc1ccccc1OCCCC(=O)N1CCC[C@H]([C@@H](C)N)C1 269262194 JQCADYYDXJRKCN-CVEARBPZSA-N 304.434 2.740 0 50 DFAA CC1(C(=O)N2CCC(CNC(=O)C3CCC3)CC2)CCCC1 949193515 UVVBTQLOPVRNDY-UHFFFAOYSA-N 306.450 2.722 0 50 DFAA CO[C@H]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C 1875270026 NAJDCNKFUFQFSB-KBPBESRZSA-N 312.454 2.743 0 50 DFAA C=CC(=O)N(CCCn1cccn1)Cc1cccc(OCC)c1 1875376117 MRFOLWDIGLBKDR-UHFFFAOYSA-N 313.401 2.887 0 50 DFAA COc1ccc(CN2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)c(C)c1 894934603 RXXZSWOTDVQCSG-MOPGFXCFSA-N 324.424 2.705 0 50 DFAA O=C(NCc1ccccc1CN1CCCC1=O)[C@H]1C[C@H]2C=C[C@@H]1C2 1565531315 RABWMSYQAMFADW-DAYGRLMNSA-N 324.424 2.637 0 50 DFAA CC[C@H]1CN(C(=O)c2cn(C)cn2)c2cccc(Cl)c2O1 273205349 RCPDIOLWMRBOAZ-JTQLQIEISA-N 305.765 2.891 0 50 DFAA CC(C)Cn1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cn1 275353387 AGEGHAWUVGLCAB-ZWKOTPCHSA-N 314.433 2.944 0 50 DFAA O=C(CC1(O)CCCCC1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 408062132 NEMMJJPRJJOKNI-HZPDHXFCSA-N 321.392 2.545 0 50 DFAA CCN1CCC(N2CCCN(CC3=CCCCC3)CC2)CC1 408521766 FCBOBMHBEIZIOZ-UHFFFAOYSA-N 305.510 2.979 0 50 DFAA CNS(=O)(=O)c1cccc(NC(=O)/C=C(\C)C(C)(C)C)c1 221800973 CXQUAQHNLKPLHQ-PKNBQFBNSA-N 310.419 2.526 0 50 DFAA C[C@H](N[C@H]1CCc2sc(Cl)cc21)[C@@H]1CN(C)CCO1 222112181 JFWUHCKGDDDQLR-DLOVCJGASA-N 300.855 2.698 0 50 DFAA O=c1[nH]c(COCC(F)(F)C(F)F)nc2ccc(Cl)cc12 190416386 LODIAHTWWWMZSV-UHFFFAOYSA-N 324.661 2.994 0 50 DFAA CCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)oc1CC 193017143 NLDAIELYBCPDGX-UHFFFAOYSA-N 319.361 2.673 0 50 DFAA COc1ncccc1CN1CCN(c2nc3ccccc3o2)CC1 193335941 RATXOIPMYLZIKV-UHFFFAOYSA-N 324.384 2.554 0 50 DFAA C=CC(=O)N(CC)CC(=O)N1Cc2cc(C)ccc2CC1(C)C 908438566 HHVCSVMPYXFYND-UHFFFAOYSA-N 314.429 2.693 0 50 DFAA CSCc1cccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)O)c1 797744926 ZEEKONQIKRBDDQ-JQWIXIFHSA-N 312.366 2.579 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)C(C)(C)Nc1ccc(C)cc1 1506420712 ADJFWHCTERXJAG-UHFFFAOYSA-N 319.449 2.607 0 50 DFAA CN(CC[C@@H]1CCOC1)Cc1cnn(-c2ccc(F)cc2)c1 1506428139 NDEPPZZRTNPGCF-CQSZACIVSA-N 303.381 2.870 0 50 DFAA Cc1cc(C)n(-c2cccc(CN(C)CCn3cnnc3C)c2)n1 1506431448 KRFFBPDPWWRYFP-UHFFFAOYSA-N 324.432 2.521 0 50 DFAA COCCOc1cccc(C(=O)Nc2ncncc2C(C)C)c1 1616035986 DATYXUYWWBFQKQ-UHFFFAOYSA-N 315.373 2.878 0 50 DFAA CCO[C@H](C(=O)N1CCC(CN)(c2ccccc2)CC1)C(C)C 1615554113 KDQCCPORMSJLKW-KRWDZBQOSA-N 318.461 2.567 0 50 DFAA Cc1ccc2c(C(=O)N3CCO[C@H](c4ccccc4)C3)cnn2c1 1772710239 PHFTXOZPMURXDZ-SFHVURJKSA-N 321.380 2.856 0 50 DFAA CC(=O)[C@@H]1[C@H](c2ccccc2F)c2c(n[nH]c2C)C[C@]1(C)O 5062073 ZZIPKMGAHIMYOH-ZACQAIPSSA-N 302.349 2.501 0 50 DFAA CCCCc1nc2cc(C(=O)N3CCC(O)CC3)ccc2o1 12429902 FEWKPFSYYXLOPG-UHFFFAOYSA-N 302.374 2.767 0 50 DFAA O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccccc2)CC1 13363695 KBGIQSIZTJVHGG-UHFFFAOYSA-N 311.385 2.510 0 50 DFAA CCCC(=O)Nc1ccc(I)c(C)n1 16488990 XLIBATVFJYJBBL-UHFFFAOYSA-N 304.131 2.733 0 50 DFAA Cc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(C)o1 16605001 MJHGDXLSHOMPBF-UHFFFAOYSA-N 316.376 2.994 0 50 DFAA Cc1ccccc1Nc1nc2nonc2nc1-n1ccnc1C 18202129 HOXWGUNVDURPIU-UHFFFAOYSA-N 307.317 2.559 0 50 DFAA Fc1cccc2ccc(-c3nccn3C[C@@H]3COCCO3)nc12 1857692646 NSEOIILWCUWGRB-CYBMUJFWSA-N 313.332 2.653 0 50 DFAA CN1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)cn2)C1 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Cc1cccc(-c2noc([C@H](C)NC(=O)c3cccnc3)n2)c1 4998338 RJYVKSCLYGHLRO-LBPRGKRZSA-N 308.341 2.931 0 50 DFAA Cc1c([C@@H](C)Nc2nncc(-c3cccc(F)c3)n2)cnn1C 12076226 YJELTAHBTGWXQI-SNVBAGLBSA-N 312.352 2.893 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1CC1CC1 14953502 KFODHJWCUOBUMX-KRWDZBQOSA-N 310.401 2.685 0 50 DFAA COc1ccc(CN(C)Cc2cc(C)no2)c(OC)c1OC 19146507 GZKUCVWUHSEFDA-UHFFFAOYSA-N 306.362 2.641 0 50 DFAA Cc1ccc(OC[C@@H](O)CNC2CCN(C(C)C)CC2)c(C)c1 19838623 BMUIMMHPIYQYGV-SFHVURJKSA-N 320.477 2.506 0 50 DFAA Cc1cc(S(=O)(=O)N2CCCC2)c(C)cc1Br 36636364 SZRQJOUEDQVRGH-UHFFFAOYSA-N 318.236 2.850 0 50 DFAA Cc1nn(C)c(C)c1-c1ccnc(NCCc2cscn2)n1 48390801 AHYSNTNIGXIHAQ-UHFFFAOYSA-N 314.418 2.605 0 50 DFAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1ccccc1NC 55244484 LUEOEEIFZKKMFI-ZDUSSCGKSA-N 302.374 2.735 0 50 DFAA O=C(Cc1ccncc1)N(Cc1ccsc1)C[C@@H]1CCCO1 55387255 GQYAONSRBFXHGR-INIZCTEOSA-N 316.426 2.893 0 50 DFAA Cc1cc(C)n([C@H](C)C(=O)N(C)CCc2scnc2C)n1 67692661 MLRKHITVBMWXBT-CYBMUJFWSA-N 306.435 2.527 0 50 DFAA Cc1cc(C)n(NC(=O)c2scc3c2CCCC3)c(=O)c1 67726766 MWGDUYZWVXTKET-UHFFFAOYSA-N 302.399 2.789 0 50 DFAA Cc1cccc(C(=O)NCC[C@@H]2CN(C(C)C)CCO2)c1Cl 67769657 KBGSXNLIGAHDSY-CQSZACIVSA-N 324.852 2.878 0 50 DFAA O=C(NCc1ccco1)c1ccc(-c2ccc(F)cc2)[nH]c1=O 71376464 BHKWJNJPBLDWEV-UHFFFAOYSA-N 312.300 2.704 0 50 DFAA Cn1cnnc1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77319322 JQJILUDTWGJUIS-OAHLLOKOSA-N 316.380 2.641 0 50 DFAA Cc1cc(C)c2nc(C)cc(C(=O)N3[C@H]4CC[C@@H]3CNC4)c2c1 77340187 VLKFGAJUOALNFM-GASCZTMLSA-N 309.413 2.736 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)NC[C@H](CO)Cc1ccco1 91574794 LSLHGIOEHWBHLY-GFCCVEGCSA-N 322.430 2.749 0 50 DFAA Cc1ccc([C@H](C(=O)NCCN2CCCCCC2)N(C)C)cc1 95353585 BIPOUEISGFLYBH-GOSISDBHSA-N 317.477 2.590 0 50 DFAA CN(C)C(=O)c1ccc(NC(=O)NCC(F)(F)F)cc1Cl 97679782 OVNLPDNYGUOAQZ-UHFFFAOYSA-N 323.702 2.726 0 50 DFAA Cc1ccc(C2(C(=O)Nc3nncs3)CCOCC2)cc1 110187362 CDBMTGZNXQZYAQ-UHFFFAOYSA-N 303.387 2.533 0 50 DFAA CCN(C)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 110659164 SVESSXOBJYIHEG-BBRMVZONSA-N 305.422 2.815 0 50 DFAA Cn1ncc(Cl)c1-c1nc2sc3c(c2c(=O)[nH]1)CCCC3 122329838 RDBKTPJZXPJNEA-UHFFFAOYSA-N 320.805 2.917 0 50 DFAA CC[C@H]1CCN(C(=O)c2sc(-c3ncccn3)nc2C)C1 130978571 RBTGHBIJVZTNGC-NSHDSACASA-N 302.403 2.781 0 50 DFAA CC(C)(C)c1ccc([C@@H](O)CNc2nccn3cnnc23)cc1 170003704 XBAOFWDVCFMBLF-AWEZNQCLSA-N 311.389 2.567 0 50 DFAA CC[C@](C)(CNC(=O)c1cccnc1C(F)(F)F)[C@H](C)O 170607688 SQBXWNMKMHVPLM-TVQRCGJNSA-N 304.312 2.627 0 50 DFAA CCN(Cc1ccccc1)C(=O)NCCCc1cnn(C)c1 171262575 XLUHOMJYJHCYMC-UHFFFAOYSA-N 300.406 2.584 0 50 DFAA Cc1cccc(C(NC(=O)[C@@H]2CCC(=O)N2)c2cccc(C)c2)c1 176153694 CYWJCPAQRWUXJS-KRWDZBQOSA-N 322.408 2.788 0 50 DFAA CC1(C)CN(C(=O)NCC(C)(C)c2ccncc2)CC(C)(C)O1 190795219 CATIRBCDDKUHCS-UHFFFAOYSA-N 319.449 2.958 0 50 DFAA COc1ccc(OCCN2CCC[C@@H](c3ccn[nH]3)C2)cc1 193852409 JEYLIQJAAMPQEN-CQSZACIVSA-N 301.390 2.677 0 50 DFAA COc1ccc(CN(C)C[C@H]2CCN(C(C)C)C2)cc1C(=O)O 215632031 HTBMNWBPCYUDPS-OAHLLOKOSA-N 320.433 2.556 0 50 DFAA CCNc1nc(C)c(C(=O)N(C)CCC[C@@H]2CCCO2)s1 218966573 ANYJSDMTOZKWSI-GFCCVEGCSA-N 311.451 2.915 0 50 DFAA O=C(CCC1CCCC1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 219742588 JNLDPNKYWJNQJQ-HZPDHXFCSA-N 318.417 2.705 0 50 DFAA O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CC12CCNCC2 238099697 GDXHNGMNHKUGPC-NSHDSACASA-N 314.414 2.533 0 50 DFAA C[C@@H]1[C@@H](NC(=O)c2nn(C)cc2Br)CCC[C@H]1C 239305990 GHCBYNTZZOJEPD-YWVKMMECSA-N 314.227 2.737 0 50 DFAA CN(CCN1C[C@H]2CC[C@@H]1C2)Cc1ccc2nsnc2c1 244715767 LBWUYISVXZTUIV-GXTWGEPZSA-N 302.447 2.607 0 50 DFAA Cc1ccc(-c2cc(C(=O)N3C[C@@H]4CC[C@H]3CN(C)C4)[nH]n2)cc1 248156370 VVHVHDKXGTVMTL-ZBFHGGJFSA-N 324.428 2.551 0 50 DFAA C[C@H]1C[C@@H]1c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1 252487118 RVFYIHXXOZTXQE-FQLMCAECSA-N 317.433 2.781 0 50 DFAA COc1ccc([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 261710906 LCLJEVXBTOJDMV-ACJLOTCBSA-N 310.397 2.587 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)[C@@]2(C)CCCOC2)cc1)C(=O)O 263536138 OQOBGLYHHAREEY-SJCJKPOMSA-N 305.374 2.705 0 50 DFAA Nc1ncnc(N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1Cl 277940770 WZHOSEIELFLFNN-QWHCGFSZSA-N 318.808 2.805 0 50 DFAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccnc2ccccc12 284526848 JLQMHEBUEZBVII-IPELMVKDSA-N 312.413 2.991 0 50 DFAA CCn1ccnc1[C@H](NCc1cnccc1C)C1CCOCC1 284851473 XKKSJWMPXINAGG-QGZVFWFLSA-N 314.433 2.864 0 50 DFAA O[C@@H](CN1CC[C@@H](n2cnc3c2CCCC3)C1)c1ccccc1 299749901 LZLJUUHLYUCBRS-APWZRJJASA-N 311.429 2.742 0 50 DFAA CCc1n[nH]c([C@@H]2CN([C@H]3CCCc4ccccc43)CCO2)n1 299754019 LNFOGTPUJVYHDK-HOTGVXAUSA-N 312.417 2.818 0 50 DFAA CCc1ncnc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1F 343242394 YWBHBONTSPITLA-QMTHXVAHSA-N 323.318 2.769 0 50 DFAA COC(=O)c1cc(NC(=O)Nc2cn[nH]c2)cc(Cl)c1F 362364050 FVSTXZDENYCZPU-UHFFFAOYSA-N 312.688 2.633 0 50 DFAA O=C(/C=C/c1ccco1)N1CC[C@](O)(c2ccc(F)cc2)C1 375024896 YNGPGDDTLUQYNA-IWAYRVGRSA-N 301.317 2.552 0 50 DFAA Cc1ccncc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C 408461977 XLBDPBKSTPMPPE-ZDUSSCGKSA-N 302.399 2.526 0 50 DFAA CNC(=O)CC[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)c[nH]1 412350029 WPAGVHGCZISAPQ-HNNXBMFYSA-N 319.449 2.734 0 50 DFAA COCCCCC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](C)C1 422001168 OXDDAARYSLAGRD-KGLIPLIRSA-N 313.438 2.629 0 50 DFAA Cc1nc(C(C)(C)C)sc1C(=O)N1C[C@@H](C)[C@](C)(CN)C1 423979828 BXOZMJRJJAODJF-QLJPJBMISA-N 309.479 2.806 0 50 DFAA Cc1cc(C(=O)N(C)CCc2nc3ccc(Cl)cc3[nH]2)no1 584895309 FBCPKPOOOBSRJT-UHFFFAOYSA-N 318.764 2.827 0 50 DFAA CS(=O)(=O)c1ccccc1N[C@H](C1CC1)[C@@H]1CCCCO1 585091265 GDMFAXXLRBYTQY-GOEBONIOSA-N 309.431 2.850 0 50 DFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1nnc2c(Cl)cccn12 585128204 VSDSIGBYOWUFPM-SRVKXCTJSA-N 318.808 2.825 0 50 DFAA CSCc1cccc(-c2noc([C@@H]3CN(C)C[C@H](C)O3)n2)c1 598683327 RMKSOKPRLLQWDZ-FZMZJTMJSA-N 319.430 2.991 0 50 DFAA Cc1ncc(C(=O)O)cc1C(=O)N[C@@H](C)Cc1ccsc1 630110851 HRAPNAUVRVJIGQ-VIFPVBQESA-N 304.371 2.511 0 50 DFAA Cc1ccc2occ(CC(=O)N3C[C@@H]4CCC[C@@H](N)[C@H]4C3)c2c1 638164277 KGIVMHRQVPTIBP-RRQGHBQHSA-N 312.413 2.870 0 50 DFAA CSCC[C@H](C)N1CCN(c2ncnc3ccccc23)CC1 670469736 BVVUAECWMMWPJC-AWEZNQCLSA-N 316.474 2.893 0 50 DFAA C[C@H](Nc1ccc2c(n1)CCC2=O)c1ccc2nc(O)[nH]c2c1 673427572 RBMUOSQWQVIMLW-VIFPVBQESA-N 308.341 2.966 0 50 DFAA Cc1ccc(CC(=O)NCc2c(C(=O)O)oc3ccccc23)o1 776639011 DOYOGAXQPLLMTD-UHFFFAOYSA-N 313.309 2.891 0 50 DFAA CC[C@@H](c1n[nH]c(Cc2cccc(Cl)c2)n1)N1CCOCC1 822650320 CZIDCIDRNIQBPD-AWEZNQCLSA-N 320.824 2.832 0 50 DFAA C[C@@H](Cn1cccn1)C(=O)N(C)CCn1ccc2ccccc21 827627990 HAKNCUPQHQNXKZ-HNNXBMFYSA-N 310.401 2.633 0 50 DFAA CON(Cc1ccccc1)C(=O)C[C@H]1COc2ccccc2O1 828085744 BZUKIKPFKFTZGB-HNNXBMFYSA-N 313.353 2.807 0 50 DFAA C[C@@H]1[C@H](NCCCC2(O)CCC2)CCN1Cc1ccccc1 863984709 ZXOMUVYJQDOSCO-SJLPKXTDSA-N 302.462 2.934 0 50 DFAA Cn1ccc(-c2nc(CN3CC(CC(F)(F)F)C3)cs2)n1 894827926 JCZAUQFSSHLZHP-UHFFFAOYSA-N 316.352 2.928 0 50 DFAA Cc1ccc(-c2nnc(NCc3c4c(nn3C)CCC4)o2)cc1 902126193 HFMPTICEASTODG-UHFFFAOYSA-N 309.373 2.879 0 50 DFAA C[C@@H](C(=O)N(C)CCN(C)C1CCCC1)c1ccc(O)cc1 1506402978 QNMZWLMYNJPUEY-CQSZACIVSA-N 304.434 2.829 0 50 DFAA CCc1[nH]nc(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)c1C 1506403799 ZEIGIMFFRJOZMV-UHFFFAOYSA-N 315.352 2.568 0 50 DFAA CN(Cc1ccc(N(C)C)nc1)Cc1nc2ccc(F)cc2[nH]1 1506408860 YEUKCYRLUVDYBN-UHFFFAOYSA-N 313.380 2.795 0 50 DFAA O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCC1 1615735604 XLDBIHMCZHKEFW-CRAIPNDOSA-N 310.397 2.709 0 50 DFAA O=C(O)COc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccsc2)c1 1616043141 ZPZHBYAAWQMWLM-KGLIPLIRSA-N 317.366 2.954 0 50 DFAA CCN(C[C@H]1CCCCO1)C(=O)c1cnn2cccc(C)c12 1772700543 CJYVLZULCMVXIS-CQSZACIVSA-N 301.390 2.674 0 50 DFAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccccc2C)C1 1857528014 VOMULVWWWPRWOU-JTSKRJEESA-N 320.458 2.861 0 50 DFAA O=C(O)CC1CCN(C(=O)CC=Cc2ccc(F)cc2)CC1 1857532076 OTXWUDZTJZZNSD-UHFFFAOYSA-N 305.349 2.942 0 50 DFAA CC[C@H](NC(=O)[C@@H]1CC(C2CCOCC2)=NO1)c1ccccc1 1875301469 KKPLSNFCTJZPKO-RDJZCZTQSA-N 316.401 2.825 0 50 DFAA O=C(NCCc1ccc(C2CC2)cc1)c1nc[nH]c2nccc1-2 1875302473 RUHPWGXGDFYIDN-UHFFFAOYSA-N 306.369 2.759 0 50 DFAA Cc1ccc2c(C(=O)OCc3ncccc3C(N)=O)coc2c1 1875359678 MJVQJRVGWWLGDM-UHFFFAOYSA-N 310.309 2.592 0 50 DFAA c1cc(CNCc2cccc3c2CCOC3)cc(-c2nc[nH]n2)c1 2325761442 BYRUSKPVOUIKKD-UHFFFAOYSA-N 320.396 2.834 0 50 DFAA O=C1C[C@@H](CO)CN1c1ccc(-c2c[nH]c3nccc-3c2)cc1 2325861219 JNOUSMFRKXBKCT-GFCCVEGCSA-N 307.353 2.527 0 50 DFAA Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(N)=O)cc3N2)cc1 184449 CUOXDRIVQZAHTF-ZYHUDNBSSA-N 324.306 2.951 0 50 DFAA CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 379214 YQICYIOVJPQYRT-UHFFFAOYSA-N 319.382 2.821 0 50 DFAA Cc1cc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)no1 614563 HSBPSSWXVFZUDM-LLVKDONJSA-N 323.711 2.907 0 50 DFAA Cc1nonc1NC(=O)CSc1nc2ccccc2s1 4857192 GMYHNLVKTYLYKR-UHFFFAOYSA-N 306.372 2.719 0 50 DFAA Cc1nncn1-c1cccc(NC(=O)CCOc2ccccc2)c1 135410378 LXWYPZTTWZQGGL-UHFFFAOYSA-N 322.368 2.983 0 50 DFAA COc1ccc(C(=O)CC(=O)c2cc(OC)ccc2O)cc1 100499179 XYNCIFPRLWJQBH-UHFFFAOYSA-N 300.310 2.865 0 50 DFAA biogenic CCN(Cc1ccncc1)c1cc([C@H]2CCCNC2)nc(C)n1 67850182 CNVWRAZVZSCIKW-INIZCTEOSA-N 311.433 2.674 0 50 DFAA c1ccc(Cc2nnc3n2CCN(Cc2ccco2)CC3)cc1 23340301 CTOSWMHICNIPSU-UHFFFAOYSA-N 308.385 2.520 0 50 DFAA O=C(CCOc1ccccc1)N1CCCC2(CCNCC2)CC1 67673006 NWPKPSHUFZYUGQ-UHFFFAOYSA-N 316.445 2.838 0 50 DFAA O=C1CC2(CCN(Cc3c[nH]nc3C3CCCCC3)CC2)CN1 67954373 OBWALRUAIKKHNH-UHFFFAOYSA-N 316.449 2.560 0 50 DFAA Oc1cccc(CN(Cc2csnn2)C2CCC(O)CC2)c1 125697646 WCHBGOFRFTWANO-UHFFFAOYSA-N 319.430 2.549 0 50 DFAA CCCN1C[C@H](NC(=O)c2cc3ccccc3s2)CC1=O 67773576 NGFLSHYVBDUCML-GFCCVEGCSA-N 302.399 2.642 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2c(C)noc2C)c1 331459655 AMDHDVHZEUXQEZ-YOEHRIQHSA-N 302.374 2.608 0 50 DFAA CCc1csc(CNc2nccc(-c3cn(C)nc3C)n2)n1 48284571 CCPMITPOMRQXBA-UHFFFAOYSA-N 314.418 2.817 0 50 DFAA O=C(c1cccnc1S)N1CC(Oc2ccccc2Cl)C1 152251262 QRHOLHVJOOIXEN-UHFFFAOYSA-N 320.801 2.927 0 50 DFAA CCc1ccc(NC2=NC(=O)C[C@H](C(=O)c3ccccc3)N2)cc1 528411 RFAVZMIYSKIJAD-MRXNPFEDSA-N 321.380 2.788 0 50 DFAA Cc1cc(-n2nc(C3CC3)nc2-c2ccccc2C(N)=O)ccn1 65432939 KDSFKPXOROESKR-UHFFFAOYSA-N 319.368 2.614 0 50 DFAA C[C@@H](c1nc(C2CC2)no1)N1CCCC[C@H]1Cn1cccn1 257365829 SVJGAOZAEHGOSC-JSGCOSHPSA-N 301.394 2.759 0 50 DFAA CC[C@H](C)C[C@H](CC)N[C@@H]1CCCN(c2nccnc2O)C1 328629877 ISPFIYQCHOLKBX-SOUVJXGZSA-N 306.454 2.955 0 50 DFAA CC(=O)N1CCC[C@@H](CNC(=O)N2Cc3ccccc3[C@@H]2C)C1 332298115 KPRSRWADLLRMAQ-ZFWWWQNUSA-N 315.417 2.531 0 50 DFAA COc1ccc(C(=O)NC[C@@H](C(=O)O)c2ccccc2)c(C)c1 362764909 GDYYLWQMSSZBJY-MRXNPFEDSA-N 313.353 2.602 0 50 DFAA CCN1CCC[C@@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 72432599 UHZBPFOBHGNVGS-QGZVFWFLSA-N 318.461 2.604 0 50 DFAA Cc1noc(C)c1CC(=O)N[C@H](Cn1cccn1)c1ccccc1 78144903 XTWXLPRGIDTSIH-QGZVFWFLSA-N 324.384 2.588 0 50 DFAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCC[C@@H](N)C1 237162145 BHTRAIWDDROFTJ-DOTOQJQBSA-N 315.461 2.763 0 50 DFAA O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC12CCOCC2 375527515 YMQTZQGRCYKPBW-CQSZACIVSA-N 309.793 2.545 0 50 DFAA Cn1cc(N2CC[C@H](Nc3ncc(Cl)cc3Cl)C2)cn1 376172359 LAJJTZSRSHWXJO-JTQLQIEISA-N 312.204 2.813 0 50 DFAA O=C(O)CCN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)C1CCOCC1 377143870 XRXMTBYIJNXMIG-CVEARBPZSA-N 323.433 2.685 0 50 DFAA COC(=O)c1cc(CN(C)Cc2ncccc2C)ccc1O 71404080 GRDDFRFUIPMWHG-UHFFFAOYSA-N 300.358 2.514 0 50 DFAA O=C1CCCc2cc(NC(=O)NC[C@@H]3CCSC3)ccc2N1 241160510 JXWGHDPVBMJQPX-NSHDSACASA-N 319.430 2.836 0 50 DFAA BrC1=CCCN(c2ncc(Br)cn2)C1 241439830 NMOFDMQDULHIGP-UHFFFAOYSA-N 319.000 2.728 0 50 DFAA CN(C)c1ccnc(N2CC[C@H](Oc3ccccc3Cl)C2)n1 131842532 DXYZOHSVFALEEV-LBPRGKRZSA-N 318.808 2.854 0 50 DFAA O=C(NC[C@@H]1CSCCS1)c1cccc(OC(F)F)c1 176673522 FAKBPFKFIQWHME-LLVKDONJSA-N 319.398 2.866 0 50 DFAA Cc1cc(C(=O)N[C@H]2COc3ccccc3C2)c2c(C)noc2n1 45849249 XFCOCUWLQLHETQ-CYBMUJFWSA-N 323.352 2.573 0 50 DFAA Cc1ccccc1CS(=O)(=O)NC[C@H](C(C)C)N1CCCC1 49736772 LVTWUESIGAZHGQ-QGZVFWFLSA-N 324.490 2.535 0 50 DFAA CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2[nH]nc(C)c21 46016651 NJYAGEQRKOKTFO-LLVKDONJSA-N 301.346 2.600 0 50 DFAA Cc1ccc([C@H](C(=O)N(C)Cc2cccc(O)c2)N(C)C)cc1 95363236 KZLNNXRSCQSXFM-GOSISDBHSA-N 312.413 2.962 0 50 DFAA O=C(c1cccc(-c2cnc3n[nH]nc3c2)c1)N1CCCCC1 96153329 MBVCBGOVLUTWJV-UHFFFAOYSA-N 307.357 2.646 0 50 DFAA CCc1nc(C)c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)o1 294587870 GNUUZLZBPUGWSV-AWEZNQCLSA-N 318.373 2.960 0 50 DFAA CCc1c(C)nc(N)nc1NC[C@@H]1CCN(C2CCCC2)C1 95383364 PHBMPNSHRLVCEK-ZDUSSCGKSA-N 303.454 2.606 0 50 DFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCCC[C@H]3CN)c2c1 91586075 LQOCMKCUZLPSAF-HNNXBMFYSA-N 313.445 2.975 0 50 DFAA C[C@@H]1CCCCN1C1CN(C(=O)Nc2cccc(N(C)C)c2)C1 96136363 ZXQAABUFUIDFNG-CQSZACIVSA-N 316.449 2.843 0 50 DFAA CCN1CC2(CCN(CCC(F)(F)C(F)F)CC2)CC1=O 95507600 UNFRPRHQXQXWKD-UHFFFAOYSA-N 310.335 2.611 0 50 DFAA O=C(NCC1CCNCC1)[C@@H]1C[C@H]1c1c(F)cccc1Cl 297150682 IXTOYTJTSHETNQ-VXGBXAGGSA-N 310.800 2.698 0 50 DFAA COc1cccc2c1OCCCN(Cc1nnc(C3CC3)o1)C2 244685607 ITGDLNHTQIJPQE-UHFFFAOYSA-N 315.373 2.740 0 50 DFAA c1nc(NCCCn2nccc2C2CC2)cc([C@@H]2CCOC2)n1 299770656 UGXSSFJBUDUOGR-CQSZACIVSA-N 313.405 2.557 0 50 DFAA Cc1cccc(CSCCCNC(=O)N2CCC[C@H]2CO)c1 584904044 WCVQYTLULXZADZ-INIZCTEOSA-N 322.474 2.785 0 50 DFAA CCCc1cc(CNC(=O)c2ccccc2-c2nccn2C)on1 823020274 HSGCEAKBKIYQGN-UHFFFAOYSA-N 324.384 2.958 0 50 DFAA CN(C)C1(CN(C=O)Cc2ccnn2C2CCC2)CCCCC1 1875325055 HFLQKAVKUKKXFI-UHFFFAOYSA-N 318.465 2.831 0 50 DFAA C=CC(=O)N(C)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 1875383627 AVCUKASDXGQILS-UHFFFAOYSA-N 313.323 2.714 0 50 DFAA CC(C)(C)c1nc(C(=O)NC[C@H](O)c2ccc(O)cc2)cs1 1776005682 HOAWWUVLCOJIPB-ZDUSSCGKSA-N 320.414 2.610 0 50 DFAA O=C(O)C[C@H]1CC2(CCC2)CN1Cc1ccc2c(c1)OCCO2 1777632415 FCOJEMNKNPYQIH-AWEZNQCLSA-N 317.385 2.677 0 50 DFAA CC(C)[C@H](CN[C@H]1CCCOCC1)ONC(=O)OC(C)(C)C 398810244 WMAZOKNOAHGKKS-KBPBESRZSA-N 316.442 2.626 0 50 DFAA COC(=O)CCCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 170610893 BASQWJAVVIPHJC-JTQLQIEISA-N 324.343 2.560 0 50 DFAA COCc1nc(C)c(C(=O)N2CCC[C@@]3(CCCOC3)C2)s1 408007528 DLDIZGRBMBXSKW-MRXNPFEDSA-N 324.446 2.631 0 50 DFAA O=C(CCn1cncn1)N(Cc1ccsc1)c1ccccc1 408512837 AYNOSGFZTGTDTO-UHFFFAOYSA-N 312.398 2.963 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 220184234 GGGZURSJSHCUIV-CDMKHQONSA-N 310.781 2.536 0 50 DFAA Cc1nc(CN(C)Cc2cnc(C3OCCO3)s2)cs1 225637776 OGPRQWUWKXGHOW-UHFFFAOYSA-N 311.432 2.585 0 50 DFAA C[C@]1(C(=O)NCc2ccnc(-c3ccccc3)c2)CCCNC1 638731758 RERXOTFIAJQOOO-IBGZPJMESA-N 309.413 2.755 0 50 DFAA CO[C@@H]1CN[C@@H](C(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)C1 189315566 KHQRPIWYQAIRPR-CGTJXYLNSA-N 316.445 2.681 0 50 DFAA C[C@](O)(CNC(=O)c1c[nH]nc1C1CC1)c1ccccc1Cl 191031481 DKXRVRGZGVJXDN-INIZCTEOSA-N 319.792 2.578 0 50 DFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 191616328 ZFEOPWNNTSWNNV-RNFRBKRXSA-N 305.664 2.601 0 50 DFAA Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cn1 599344056 DBGUIWFVHBBDBY-UHFFFAOYSA-N 300.749 2.850 0 50 DFAA CCn1cc(CC(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)cn1 585081267 VRGWXIJILALFMS-LLVKDONJSA-N 319.792 2.913 0 50 DFAA CCCCCOCC(=O)NCc1ccnc(Br)c1 585128582 GTHPBWNODZUSFV-UHFFFAOYSA-N 315.211 2.667 0 50 DFAA O=C(Cn1nc(-c2ccc(Cl)cc2)nc1Cl)NC1CC1 585138683 GFNRATKJULDPQK-UHFFFAOYSA-N 311.172 2.531 0 50 DFAA Cc1cccc(CC2CN(C(=O)c3cnccc3N(C)C)C2)c1 680585035 JAEZOTDGTDWHLZ-UHFFFAOYSA-N 309.413 2.771 0 50 DFAA O=C(Nc1ccn(CC(F)F)n1)[C@@H]1CCCN1c1ccccc1 683745174 BEMRZZHCNCRCNS-ZDUSSCGKSA-N 320.343 2.756 0 50 DFAA CC1=CC2(CCN(S(=O)(=O)CC3CCCC3)CC2)OCC1 1704331694 SUTDSOYZPAMJNJ-UHFFFAOYSA-N 313.463 2.708 0 50 DFAA C[C@@H](CCc1ccco1)Nc1nc(-c2ccnc3ccnn23)no1 1615585923 IECOWHSUNDJBBF-NSHDSACASA-N 324.344 2.806 0 50 DFAA Cc1ccc(CN2CCC(CN(C)CC(C)(C)CO)CC2)o1 14953455 PSPCHZDWWHKDOB-UHFFFAOYSA-N 308.466 2.750 0 50 DFAA CSCCC(=O)N(C)[C@@H]1CCCN(CCc2ccccc2)C1 12717222 VNDSZHUNGVMPHX-QGZVFWFLSA-N 320.502 2.905 0 50 DFAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cnc(N)nc2)C1 13594570 UXMKJWOVJNFDLS-CYBMUJFWSA-N 316.430 2.524 0 50 DFAA COc1ccccc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 13715417 RENYBLOXVNHYOA-UHFFFAOYSA-N 312.369 2.578 0 50 DFAA CCN(CC)C(=O)NC1CCN(C(=O)c2cccc(C)c2)CC1 169897541 HDOAWOHETLIXLE-UHFFFAOYSA-N 317.433 2.651 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(CCC3CCCCC3)n2CC1 601045400 XQLNVVJSTOJWMO-CQSZACIVSA-N 305.422 2.917 0 50 DFAA O=C1C[C@@H](c2noc(C[C@H]3C[C@H]4CC[C@H]3C4)n2)CN1C1CC1 329721203 MZJCMOOZBRMPPS-WUHRBBMRSA-N 301.390 2.527 0 50 DFAA CCOc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)cc1 236899600 IOFSGMRYTSICNG-CQSZACIVSA-N 305.374 2.945 0 50 DFAA C[C@@H]1CCC[C@@H](CC(=O)N(CCC(=O)O)C2CCOCC2)C1 237577211 LBJZNZKEHWTCTP-ZIAGYGMSSA-N 311.422 2.685 0 50 DFAA CCN(C[C@@H](C)O)C(=O)c1ccc(OC)cc1OC1CCCC1 341296375 JMJUFLARKSXILO-CYBMUJFWSA-N 321.417 2.860 0 50 DFAA C[C@H](NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 363307398 RVEIUUUBFNSMOQ-LSDHHAIUSA-N 312.417 2.755 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@@](F)(c2ccccc2)C1 374948061 BXMFMHTXDYMPKD-KRWDZBQOSA-N 301.365 2.666 0 50 DFAA Cn1nnc2cc(CNCc3cccc4c3OC(C)(C)C4)ccc21 2325777900 MOARIFAWNOOEDX-UHFFFAOYSA-N 322.412 2.972 0 50 DFAA Cc1cc([C@H](O)CN(C)Cc2cc3ccccn3n2)ccc1O 2325779715 ZKLUZZBBFALUFW-GOSISDBHSA-N 311.385 2.514 0 50 DFAA C[C@@H]1COC[C@@H]1NCCCc1nc(-c2ccncc2)cs1 925410265 YZIUZCINDVTPLV-OCCSQVGLSA-N 303.431 2.762 0 50 DFAA C[C@H]1COC[C@H]1NCCCc1nc(-c2ccncc2)cs1 925410263 YZIUZCINDVTPLV-GXTWGEPZSA-N 303.431 2.762 0 50 DFAA C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCCC[C@@H]1O 151863310 PGVUZYDQQSLOBK-KYJSFNMBSA-N 316.445 2.638 0 50 DFAA COc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1 30813 QGUTXAVIIDUSHD-UHFFFAOYSA-N 316.426 2.648 0 50 DFAA Cc1ccc(-c2nn3c([C@H]4CCCN(C)C4)nnc3s2)cc1 1857795484 APFWFYMVQBTGCD-ZDUSSCGKSA-N 313.430 2.970 0 50 DFAA COc1ccc(OC)c(NC(=S)NC(=O)c2cccs2)c1 174137 UABGFSRMMHCOQR-UHFFFAOYSA-N 322.411 2.892 0 50 DFAA O[C@@]1(c2ccccc2)C[N+](Cc2ccccc2)=C2C=CC=CN21 407657 YNIHPCSBUVJIEC-HXUWFJFHSA-N 303.385 2.842 0 50 DFAA COC(=O)c1cc(C)sc1NC(=O)COc1ccccc1 1054757 LVPQHJJSRLDZRY-UHFFFAOYSA-N 305.355 2.861 0 50 DFAA O=C(NCc1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 1055567 SRHDIEONAZHZIV-QGZVFWFLSA-N 324.380 2.734 0 50 DFAA Cc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)cc1C 2356140697 OQHWWSDWVQTJKM-OAHLLOKOSA-N 308.385 2.584 0 50 DFAA CCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21 4758072 DFMQSVXTJVZZLZ-UHFFFAOYSA-N 315.442 2.534 0 50 DFAA COc1ccc(-c2nnc(N3CCC[C@](F)(CO)C3)s2)cc1 420625379 IBBGEEUNSVCSAB-OAHLLOKOSA-N 323.393 2.515 0 50 DFAA CC(C)(C)OC(=O)N[C@H](CSC(=O)OC(C)(C)C)C(=O)O 117981395 QMLRRONGQFDKAL-MRVPVSSYSA-N 321.395 2.633 0 50 DFAA Cc1noc(CSCC(=O)Nc2ccnn2[C@H](C)C(C)C)n1 55413567 XDBKQQOVWMOZDI-SNVBAGLBSA-N 323.422 2.663 0 50 DFAA COc1ccc(CN(CCN(C)C)Cc2ccccc2C)cn1 55413556 VYJRZPONGMNQEN-UHFFFAOYSA-N 313.445 2.962 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCc2n[nH]c3c2CCCCC3)n1 67879760 PKOPWEQGPXAZHN-ZDUSSCGKSA-N 301.438 2.670 0 50 DFAA CCNc1ccnc(NCc2cc3ccc(F)cc3[nH]c2=O)n1 67674705 GARVMAWZKXNKLH-UHFFFAOYSA-N 313.336 2.501 0 50 DFAA CS(=O)(=O)Nc1ccc(-c2ccc(F)cc2Cl)cn1 67790009 OUHPDZSCBFFKST-UHFFFAOYSA-N 300.742 2.913 0 50 DFAA CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)c1cccc(F)c1 229649668 BPANTVGQWHKQLV-JKSUJKDBSA-N 322.424 2.628 0 50 DFAA COC[C@@H](O)Cn1ccnc1-c1ccccc1C(F)(F)F 67847391 WWSOIBGKWAKKCH-JTQLQIEISA-N 300.280 2.576 0 50 DFAA C[C@H]1CNCCN1C(=O)c1cc(C2CC2)nc2ccc(F)cc12 125545284 CMOHKLABDPSKGH-NSHDSACASA-N 313.376 2.685 0 50 DFAA COc1ccc(C(=O)Nc2cc3ccc(O)cc3oc2=O)cc1 1391221 RQGKTXNLARSZCV-UHFFFAOYSA-N 311.293 2.760 0 50 DFAA biogenic CC[C@H](NS(=O)(=O)c1cnn(CC)c1C)c1ccccc1 2804903 XLHRJDCYMJQNLF-AWEZNQCLSA-N 307.419 2.641 0 50 DFAA CC(=O)N(C)C1CCN(C(=O)C2=Cc3ccccc3[C@H]2C)CC1 328592734 BIGRPKCFQYBKMD-CYBMUJFWSA-N 312.413 2.656 0 50 DFAA CCCC1(O)CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 360307405 KHLCFZXOZXXZLF-QGZVFWFLSA-N 317.429 2.958 0 50 DFAA COc1ccc2cc([C@H]3CN(CCC(=O)O)CCO3)ccc2c1 71746380 JVRBGDUNFXPFSX-QGZVFWFLSA-N 315.369 2.696 0 50 DFAA Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(C2CCCC2)C1 72463392 KMSQQLSTCPNPAK-OAHLLOKOSA-N 317.481 2.533 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2cccc3cc[nH]c23)Cc2ccccc21 368532359 GXRLXHANSNLRRM-MRXNPFEDSA-N 320.348 2.992 0 50 DFAA Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)on1 370266592 ADYDGLAHSBNGPA-LBPRGKRZSA-N 310.357 2.968 0 50 DFAA C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 332911288 KGQDKRGCAJZKFT-SWLSCSKDSA-N 310.401 2.596 0 50 DFAA NCC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CCO1 216170270 XQXJTICYXFHXLW-IBGZPJMESA-N 310.441 2.868 0 50 DFAA Cc1cc(CNC(=O)C(N)=O)c2[nH]c(-c3ccccc3)c(C)c2c1 71747845 KNSCLMAALSHXBL-UHFFFAOYSA-N 321.380 2.553 0 50 DFAA CCC(=O)NC(=S)Nc1cc(/C=C/C(=O)O)ccc1Cl 226356757 NRBLZYRFIBBMLH-GQCTYLIASA-N 312.778 2.661 0 50 DFAA CO[C@H](C)c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1 426628938 ZHAARENAYCZXIZ-LLVKDONJSA-N 306.387 2.828 0 50 DFAA Cc1nc(C)c(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)s1 40266521 CEWDUHHUFUZAKI-VIFPVBQESA-N 324.431 2.644 0 50 DFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)N2CCC(OC3CCCC3)CC2)C1 179992167 QRWCBXLKHXZWLE-ZIAGYGMSSA-N 323.433 2.828 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1C 180148214 CBOZJSGLGKLNQE-MLGOLLRUSA-N 320.339 2.560 0 50 DFAA Cc1cc(C)c2c(N[C@@H](c3nccn3C)C3CC3)ncnc2n1 95367328 LIKOGWJEOOZYPP-CQSZACIVSA-N 308.389 2.938 0 50 DFAA Cc1nn(C)c2nc(N3CCC[C@]4(CCCO4)CC3)sc12 96166597 YLAAFOBQPNPMAC-HNNXBMFYSA-N 306.435 2.878 0 50 DFAA COc1ccc(C(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)o1 244742114 OCDCESBPACITEY-RBZYPMLTSA-N 307.371 2.592 0 50 DFAA C[C@@]12CCC(=O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)CCC[C@H]12 257345951 NRRGYVQICKWYRF-KKCYAQHRSA-N 306.446 2.930 0 50 DFAA O=C1CCN(C/C=C/c2ccccc2)CCN1Cc1ccncc1 299789396 ZJSHPMUXISEOFP-QPJJXVBHSA-N 321.424 2.829 0 50 DFAA COc1c(C)cc(C)cc1CN1CC[C@]2(OC)CC[C@H](O)C[C@H]12 299789624 ZTSBOGYVHXOUNS-JENIJYKNSA-N 319.445 2.816 0 50 DFAA Cn1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1=O 585137014 CTTXLSIRFUCVNX-UHFFFAOYSA-N 313.382 2.641 0 50 DFAA Cc1cc(NC[C@H]2CCCN(Cc3ccccc3)C2)nc(N)n1 67384804 OJTADSOESYWMFG-MRXNPFEDSA-N 311.433 2.691 0 50 DFAA Cc1csc([C@@H]2CN(c3nncc4ccccc34)CCO2)n1 952874740 XNPBGYSHONANIR-AWEZNQCLSA-N 312.398 2.973 0 50 DFAA FC(F)(F)c1ccc(N2CC[C@@H](N3CCOCC3)C2)cc1 1875365900 GXJRHKVYLPHMNM-CQSZACIVSA-N 300.324 2.616 0 50 DFAA C=CC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 1875366360 CYBDVOBQPZNPLA-SECBINFHSA-N 319.714 2.635 0 50 DFAA C=CC(=O)N(Cc1cc2n(n1)CCCO2)c1ccc(F)c(F)c1 1875375623 GGTJXIUFIQQMHY-UHFFFAOYSA-N 319.311 2.663 0 50 DFAA C[C@@H](C1CC1)n1cc(NC(=O)c2ncn(-c3ccccc3)n2)cn1 186429164 YKTUXEFYAIIQFH-LBPRGKRZSA-N 322.372 2.687 0 50 DFAA CCOC(=O)CN(C(=O)c1cccc2oc(C)nc12)C(C)(C)C 281635495 IHWZHGRXBGRGMN-UHFFFAOYSA-N 318.373 2.940 0 50 DFAA Cc1nc(C2(NC(=O)N(C)c3ccc(F)cc3)CCC2)no1 190520355 SABSDHHQAUQFBD-UHFFFAOYSA-N 304.325 2.742 0 50 DFAA Cc1cc([C@@H]2CN(Cc3ccnc(N)c3)CCO2)ccc1F 191603571 HBJNJTRJGSILGW-INIZCTEOSA-N 301.365 2.685 0 50 DFAA O=C(c1ccc(NCc2ccsc2)cc1)N1CCOCC1 195094801 FZIGQZDHIVCBCZ-UHFFFAOYSA-N 302.399 2.833 0 50 DFAA C[C@H]1C[C@@H](NC(=O)N2Cc3cc(F)c(F)cc3C2)CN1C1CC1 654481999 URTRTUJOKOBNOI-GXFFZTMASA-N 321.371 2.615 0 50 DFAA O=C(NCCc1ccco1)N1CCOc2cccc(F)c2C1 669849608 GRMGMVQCPUBWQE-UHFFFAOYSA-N 304.321 2.565 0 50 DFAA CCCSCC(=O)N1C[C@H](c2ccccc2C)[C@@H](C(=O)O)C1 222315989 CIVPNVYQHOEGQC-CABCVRRESA-N 321.442 2.765 0 50 DFAA Cc1nnsc1C(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 11934697 ZMJHAFJCFNFHOL-CYBMUJFWSA-N 322.478 2.764 0 50 DFAA CCOc1ccc(CN2CCN(Cc3ccco3)CC2)cc1 19842266 OPVHMGQEZWLJBC-UHFFFAOYSA-N 300.402 2.996 0 50 DFAA COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)cc1 205360856 JJSLPYBKGUUQEP-UONOGXRCSA-N 321.373 2.873 0 50 DFAA O=C(/C=C/c1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12 1587152 WLZPAFGVOWCVMG-FPYGCLRLSA-N 322.364 2.951 0 50 DFAA endogenous,in-man O[C@H]1CNC[C@H]1n1ccnc1-c1ccccc1-c1ccccc1 1857715173 FSTSJTNKCHPXHJ-MSOLQXFVSA-N 305.381 2.722 0 50 DFAA O=C(NCc1nc2ncccc2o1)c1ccc2ncsc2c1 1857678175 CPINJQILJIBEER-UHFFFAOYSA-N 310.338 2.763 0 50 DFAA CC[C@H](C)NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 1857677950 GKQMKELORXWELG-ZDUSSCGKSA-N 312.417 2.761 0 50 DFAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3cccc(OC)c3)CC2)O1 1857711136 JDGCINBCONIFEI-SJORKVTESA-N 319.445 2.980 0 50 DFAA Cc1cc(N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)ncn1 302025957 HYLFNAOUPUAGAI-OAHLLOKOSA-N 320.400 2.954 0 50 DFAA O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCC(O)CC1 303113939 PSTNYZCCBRGRMT-UHFFFAOYSA-N 312.369 2.816 0 50 DFAA Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)c1ccncc1F 338195127 NEJQAAUEIYIUND-SECBINFHSA-N 305.353 2.981 0 50 DFAA O=C(N=c1sccn1Cc1ccccc1F)c1cccnc1 245264240 CFVIXVZVGYDNIL-UHFFFAOYSA-N 313.357 2.873 0 50 DFAA COCc1ccccc1C(=O)Nc1ccc2c(c1F)CCNC2 261736235 NHPIFRMWVRPARM-UHFFFAOYSA-N 314.360 2.870 0 50 DFAA CN(C)c1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cn1 264437623 MATACMUGADDPLQ-AWEZNQCLSA-N 313.376 2.916 0 50 DFAA COc1ccnc(Nc2ccc(CN(C(C)=O)C(C)C)cc2)n1 265346758 RDLRXCJPKVMRMN-UHFFFAOYSA-N 314.389 2.986 0 50 DFAA Cc1nc(NC(=O)[C@H](c2ccccc2F)N(C)C)nc(C)c1C 2100534316 CKRBBQKIVSFKBR-HNNXBMFYSA-N 316.380 2.782 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCC[C@@H]3O)cc2)c1C 2325804346 HQHJFSZMDUGIAY-IRXDYDNUSA-N 313.401 2.979 0 50 DFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1CCc2ccccc2C1 2332237326 MDYDBIHOMZRXRP-RVKKMQEKSA-N 300.446 2.986 0 50 DFAA CN(C)CCCN(CCCN(C)C)Cc1ccc(F)c(F)c1 3682062 QLKQBDWEQOJORL-UHFFFAOYSA-N 313.436 2.670 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1 4423958 DAJFRUHUDHHSEF-ZDUSSCGKSA-N 308.765 2.921 0 50 DFAA OCC1(CO)[C@H](c2ccccc2)CC(O)C[C@H]1c1ccccc1 4786602 DNJNKPXCPVDDLW-OALUTQOASA-N 312.409 2.680 0 50 DFAA CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4809501 LZZSOEISLUCDPT-UHFFFAOYSA-N 318.398 2.627 0 50 DFAA COc1ccc(NC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1 5226094 SHRYESNZRWFZPZ-ATVHPVEESA-N 310.353 2.811 0 50 DFAA CC(=O)N1CCC(N2CCC[C@H](Nc3ccc(F)cc3)C2)CC1 12711233 HITAQBUQSSEXJI-KRWDZBQOSA-N 319.424 2.713 0 50 DFAA CC[C@H](C)c1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O 15919515 AAVWRZDXNBQTSL-JTQLQIEISA-N 318.398 2.964 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCCN2)n(Cc2ccccc2Cl)n1 55108983 NVQHYNHXBPEKEF-AWEZNQCLSA-N 318.808 2.584 0 50 DFAA CCn1ncnc1[C@@H](C)NCc1cnc(-c2cccc(C)c2)nc1 55327958 DLDFRTJCURZQMG-CQSZACIVSA-N 322.416 2.914 0 50 DFAA Cn1ccnc1CN(Cc1cc2c(cc1Cl)OCO2)C1CC1 65455114 TVZGADVSOMCVOL-UHFFFAOYSA-N 319.792 2.967 0 50 DFAA Nc1cc(N2CCC(c3[nH]ncc3-c3ccccc3)CC2)ncn1 67757215 UTMIHABCVKMLOI-UHFFFAOYSA-N 320.400 2.833 0 50 DFAA CCN(CCn1cccn1)C(=O)c1cc2cc(F)ccc2[nH]1 67821807 LJYQSYMWTKKFGF-UHFFFAOYSA-N 300.337 2.666 0 50 DFAA CC[C@H]1CN(c2nccc(C)n2)CCC(=O)N1Cc1ccccc1 71735922 QEIQBQYSDXDAMV-KRWDZBQOSA-N 324.428 2.803 0 50 DFAA Cc1c[nH]c(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)c1 71759274 WMJDMADFFSCPTA-QGZVFWFLSA-N 303.450 2.906 0 50 DFAA Cc1cc(N(C)Cc2cc(C3CC3)[nH]n2)n2nc(C)c(C)c2n1 72432675 WBFALODBPVDAJE-UHFFFAOYSA-N 310.405 2.891 0 50 DFAA CCCc1cc(C(=O)N(Cc2ccc(O)cc2)C2CC2)n(C)n1 85532639 QYJPYQGJRGTJKY-UHFFFAOYSA-N 313.401 2.883 0 50 DFAA Cc1cccc([C@H](C(=O)N(C)CC2(CO)CCCC2)N(C)C)c1 92098214 OKVXUHNWPXOPAV-QGZVFWFLSA-N 318.461 2.609 0 50 DFAA CCc1cc(CN(C)C(=O)[C@@H](c2ccc(C)cc2)N(C)C)on1 92098801 HWEMYVBPGQPDJJ-QGZVFWFLSA-N 315.417 2.807 0 50 DFAA Cc1ccc([C@@H](CNc2nc(N)nc3c2CCCC3)N(C)C)o1 95358889 IDOPWGOFSQCHFF-CQSZACIVSA-N 315.421 2.554 0 50 DFAA O=C1N(C2CCCCC2)CCC[C@]12CCN(c1cnccn1)C2 95373094 YLDCQMQWWVEFEE-GOSISDBHSA-N 314.433 2.628 0 50 DFAA COc1cccc(OC)c1[C@H](C(=O)O)N(C)Cc1ccco1 95378614 SCCLCHQCQDWLBX-OAHLLOKOSA-N 305.330 2.555 0 50 DFAA c1nc([C@H]2CCCNC2)cc(N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)n1 102243300 YCEUXXSVJCQYJP-BIVLZKPYSA-N 312.461 2.959 0 50 DFAA O=C(Cc1noc([C@H]2C[C@H]3CC[C@H]2C3)n1)NCc1ccccc1 110583241 DDXLKSBIONZPAW-KKUMJFAQSA-N 311.385 2.832 0 50 DFAA O=C(CC[C@@H]1CCCCO1)N1CCN(Cc2cccs2)CC1 110606976 RYQGUOAGYWGNRS-HNNXBMFYSA-N 322.474 2.742 0 50 DFAA CO[C@H](C)C(=O)N(c1cccc(SC)c1)C1CCN(C)CC1 112247988 QPBVLWAVOGDTIT-CYBMUJFWSA-N 322.474 2.871 0 50 DFAA CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(-c2nnn[nH]2)cc1 112806870 LLJYLVCVJXAURH-CQSZACIVSA-N 315.377 2.543 0 50 DFAA CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Cc1cccs1 125766877 GVJUMZLLSSXOHR-UHFFFAOYSA-N 317.336 2.702 0 50 DFAA CCc1ncsc1C(=O)Nc1ccc(N2CCCC2)nc1 129684436 RTCRFOWKGRLSJJ-UHFFFAOYSA-N 302.403 2.953 0 50 DFAA Cc1ccc(C)c([C@H](O)CN[C@H](C)c2nnc3ccccn23)c1 170003053 LCMBYXCICDOEKU-GDBMZVCRSA-N 310.401 2.730 0 50 DFAA COc1ccnc(N2CCN(Cc3sccc3Cl)CC2)n1 170615873 IRUBJENPKPBEGQ-UHFFFAOYSA-N 324.837 2.522 0 50 DFAA O=C(O)[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)O1 191155059 ISVZGKOBLKFWBJ-NXEZZACHSA-N 304.129 2.564 0 50 DFAA CSCc1ccc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)o1 221353840 HAMPRFLZLPJCHF-LLVKDONJSA-N 324.446 2.519 0 50 DFAA O=C(NCc1cc(-c2ccccn2)no1)c1n[nH]c2ccccc12 221435665 VZXUDSXPNUDAQB-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA O=C(NCC[C@H]1CCCCO1)N[C@@H]1CCN(c2ccccc2)C1 222235570 NOHCQBNSBGWIRU-NVXWUHKLSA-N 317.433 2.524 0 50 DFAA COc1ccccc1CCC(=O)N[C@@H](C)Cn1nc(C)cc1C 222599217 LSPVYOPMUQORIA-AWEZNQCLSA-N 315.417 2.646 0 50 DFAA CN(CC1(c2ccccc2)CC1)C(=O)N[C@H]1CCC[C@@H]1CCO 225440382 IXFUFGFYIHDMJE-WBVHZDCISA-N 316.445 2.911 0 50 DFAA CO[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CN(C)CC[C@H]32)c1 230229814 NKSKOKPMHPDENP-UKPHBRMFSA-N 317.433 2.952 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCCN1 237149092 RKFHNQYKJCXBTR-CYBMUJFWSA-N 300.324 2.806 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CC[C@@H]1CCCO1 237646916 HOSKVYIAAWJVNI-ZFWWWQNUSA-N 305.374 2.586 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)s1 237999462 JQLVPRVNMRMSCB-JTQLQIEISA-N 323.395 2.722 0 50 DFAA O=C(O)C1CCN(C(=O)c2cnc(-c3cccs3)s2)CC1 238044021 BFEMBOHTMZPHQR-UHFFFAOYSA-N 322.411 2.808 0 50 DFAA CN(C[C@@H]1O[C@H]2CCCC[C@@H]2c2sccc21)S(C)(=O)=O 245325613 GLBKKNBARCSYRA-DRZSPHRISA-N 315.460 2.737 0 50 DFAA C[C@H](O)[C@@H](C)S[C@H]1CCN(c2c(F)cccc2F)C1=O 252511252 FJPIDJLBJUSSIA-SBMIAAHKSA-N 301.358 2.573 0 50 DFAA C[C@@H]1[C@H](OC(=O)C2CCC(C(N)=O)CC2)C[C@H]2C[C@H]1C2(C)C 252516887 XNOUHVRGVWZJNS-QWFQKCJJSA-N 307.434 2.892 0 50 DFAA CC(C)COC[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 252677548 ZCDPAOAQBAPTMV-BYNSBNAKSA-N 312.454 2.550 0 50 DFAA c1cc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cs1 253431022 ZCSRBAJPQGGJRJ-UHFFFAOYSA-N 314.418 2.533 0 50 DFAA O=C(O)C[C@@H]1CCCN1C(=O)CCc1ccc2[nH]ccc2c1 262943911 MHYVGSFPDFFPIK-AWEZNQCLSA-N 300.358 2.566 0 50 DFAA C[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)c1cccs1 275485082 USJNBIHPSBZYPM-CORIIIEPSA-N 319.430 2.622 0 50 DFAA Cc1noc(Cl)c1CCC(=O)N1CCCC[C@@H]1C[C@H](C)O 279135912 BQNATFGVLJYIAJ-CMPLNLGQSA-N 314.813 2.721 0 50 DFAA Cc1ccc2oc(=O)n(CC(=O)NCCSC(C)(C)C)c2c1 299782153 FPYVLDSXJCAGFO-UHFFFAOYSA-N 322.430 2.551 0 50 DFAA OC[C@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 301355526 MFGZXLDXXNGSQL-ZDUSSCGKSA-N 306.369 2.510 0 50 DFAA Cc1nnc([C@H]2COCCN2C(=O)c2ccc(C(C)C)s2)o1 328611341 LHRYFFNYCMFTDP-LLVKDONJSA-N 321.402 2.777 0 50 DFAA Cc1nc([C@@H]2CCN(C(=O)C[C@H]3CCCc4ccccc43)C2)n[nH]1 334013180 WRYYPKOPUWIWMS-HZPDHXFCSA-N 324.428 2.939 0 50 DFAA Cc1nc(CNc2cc(Cl)cc3c2OCC(=O)N3)oc1C 345408274 NXRHBUIVRJLLFN-UHFFFAOYSA-N 307.737 2.888 0 50 DFAA CCNC(=O)C[C@H]1CCCCN1C(=O)C1CCC(F)(F)CC1 347282995 YUFHFSDNJKEXFY-CYBMUJFWSA-N 316.392 2.719 0 50 DFAA Cc1ncccc1O[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 375982329 XRVRKCHYJIFUBT-HNNXBMFYSA-N 300.402 2.806 0 50 DFAA COc1cccc([C@@H](NC(=O)C2CC=CC2)c2nccn2C)c1 377787630 NDDADAZWMRRRHN-MRXNPFEDSA-N 311.385 2.601 0 50 DFAA Nc1cnc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)cn1 426419697 GAFIVDSYHBQBFR-UHFFFAOYSA-N 318.327 2.597 0 50 DFAA Cc1ccc(C[C@H](CO)NC(=O)c2scnc2C(C)C)cc1 451277240 VPFDFKVHTCEUDN-CQSZACIVSA-N 318.442 2.908 0 50 DFAA O=C(c1ccc2c(c1)CCC2)N1CCC(Cn2ccnc2)CC1 584884608 XMXHVPMSOCJORY-UHFFFAOYSA-N 309.413 2.924 0 50 DFAA O=c1c2ncccc2ncn1CC1(N2CCCCC2)CCCC1 584885835 URCZGYHSPODYFN-UHFFFAOYSA-N 312.417 2.590 0 50 DFAA COC(=O)C1CC(Sc2nnc(-c3cccs3)n2C)C1 584908673 FLUADRDPDMSZAQ-UHFFFAOYSA-N 309.416 2.587 0 50 DFAA CC[C@H](NC(=O)c1ccc(-c2cnc[nH]2)cc1)[C@H](O)C(C)C 585131158 NHQKDGHYZFQUKI-GOEBONIOSA-N 301.390 2.602 0 50 DFAA Cc1nccc(N2CCCN(c3cccc(F)c3F)CC2)n1 631355584 PDQGDYNKYKOQKX-UHFFFAOYSA-N 304.344 2.780 0 50 DFAA NCc1cc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)co1 638600842 GAKKTAFTBLSGKX-UHFFFAOYSA-N 324.302 2.956 0 50 DFAA Cc1nc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c(C)o1 645958819 PBKSDBVCUZCCDL-GDBMZVCRSA-N 300.358 2.799 0 50 DFAA Cc1cc(N)n(CC(=O)NCCCc2ccc(C(C)C)cc2)n1 670452400 BBFVWLMEMPWOBH-UHFFFAOYSA-N 314.433 2.646 0 50 DFAA Cc1cnc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(C)c1 779876655 AQOIMWSIBVUQDO-UHFFFAOYSA-N 306.369 2.814 0 50 DFAA Cc1nccc(-c2cccc(NC(=O)[C@@H]3NCC34CCCC4)c2)n1 852785215 CKDYBCPCIQFMOK-KRWDZBQOSA-N 322.412 2.923 0 50 DFAA O=C(C1CCCC1)N1CC[C@H](N[C@H](C2CCC2)[C@H]2CCOC2)C1 864097410 VANARUBFTKUAFB-OKZBNKHCSA-N 320.477 2.572 0 50 DFAA CC1(C)CCc2onc(C(=O)N3CCCC[C@@H]3CC(=O)O)c2C1 872718251 MHUJBWOYQLDATD-LLVKDONJSA-N 320.389 2.659 0 50 DFAA CC(C)c1nc([C@@H]2CCCN(c3nccn4cncc34)C2)no1 892185318 GQZGXCYXTNZKAK-GFCCVEGCSA-N 312.377 2.620 0 50 DFAA O=C(NCC1CCN(C(=O)c2ccc[nH]2)CC1)C1CCCCC1 948765340 WZZXCKJPFHRYCK-UHFFFAOYSA-N 317.433 2.563 0 50 DFAA CCc1nnc([C@H]2CCCN(Cc3ccncc3F)[C@H]2C)o1 952852980 SNDQCFNPDSHVDT-AAEUAGOBSA-N 304.369 2.934 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc([C@H](O)[C@H]2CCCOC2)s1 952876800 XAFRMKYOOSQFAE-GXSJLCMTSA-N 314.407 2.950 0 50 DFAA COC(OC)[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1F 952993973 MLWCXTOJEIBSPD-QMMMGPOBSA-N 304.749 2.950 0 50 DFAA Cc1nc([C@H](C)NC(=O)c2c(-c3cccs3)noc2C)no1 1346919482 CZHFTIQHTYZFQL-ZETCQYMHSA-N 318.358 2.894 0 50 DFAA O=C(Cn1cccc1)N1CCC([C@@H](O)c2cccs2)CC1 1506400949 HDPQUNQOIZAUJM-MRXNPFEDSA-N 304.415 2.522 0 50 DFAA c1cncc(COC2CCN(C3CSCCSC3)CC2)c1 1506429705 UBMDRMROGIFYGV-UHFFFAOYSA-N 324.515 2.911 0 50 DFAA C/C=C/CN1CCCN(C(=O)c2ccc(OC)cc2C)CC1 1529101864 PPLKHTMXHBRRJC-SNAWJCMRSA-N 302.418 2.728 0 50 DFAA C[C@@H](c1noc(Cc2ccc3c(c2)CCCO3)n1)n1ccnc1 1615046033 SKWNWLIXGRCPGM-LBPRGKRZSA-N 310.357 2.791 0 50 DFAA Cc1cnc(CC(=O)NC(C)(C)c2cc(C(F)F)on2)s1 1615621981 VLOJMPJGODBVHM-UHFFFAOYSA-N 315.345 2.971 0 50 DFAA Fc1ccc2c(c1)OCCC[C@H]2NCc1cnc2n1CCC2 1616044747 XTVNPHULRLISTA-OAHLLOKOSA-N 301.365 2.972 0 50 DFAA Cc1cc(C)cc(S(=O)(=O)N2CCC[C@]3(CCC[C@H]3O)C2)c1 1704300527 YJJTXUDOJXPOFT-IAGOWNOFSA-N 323.458 2.619 0 50 DFAA CCNc1ncc(-c2nccn2-c2cccc3c2CCO3)cn1 1772804965 VROULEXKENUXPH-UHFFFAOYSA-N 307.357 2.696 0 50 DFAA N=c1cc2c(-c3cccc(CO[C@H]4CCOC4)c3)cccn2[nH]1 2325773068 OHCHOVKWGRFGND-HNNXBMFYSA-N 309.369 2.719 0 50 DFAA C[C@H](NCc1ccc(-n2cncn2)cc1)c1cnc2n1CCCC2 2325777681 VCLDLXPVGAYUPY-AWEZNQCLSA-N 322.416 2.651 0 50 DFAA O=C(O)CC[C@H]1C[C@H](NC(=O)c2cc3cccc(F)c3o2)C1 2325799087 SXWGDFGNECBDMT-HOMQSWHASA-N 305.305 2.945 0 50 DFAA Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccn2ncnc2c1)CC3 2356166180 QGTSUKFQNJXXJO-UHFFFAOYSA-N 321.359 2.908 0 50 DFAA CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1 1003 FEJKLNWAOXSSNR-UHFFFAOYSA-N 313.309 2.790 0 50 DFAA world CC(=O)Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1 407125 RRFHOFMFWAZHPN-UHFFFAOYSA-N 308.289 2.949 0 50 DFAA biogenic CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(SC)cc1 1082174 YQBGTDIOBKUHRU-ZDUSSCGKSA-N 306.387 2.600 0 50 DFAA CCO[P@@](C)(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 4264544 CSQJBHDRJMDNJA-KPZWWZAWSA-N 305.336 2.521 0 50 DFAA O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCO1 4777212 IVVLUNAEHQWZRV-QGZVFWFLSA-N 324.380 2.734 0 50 DFAA O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccncc1 6697082 YBQQTZSZVBMGCZ-UHFFFAOYSA-N 321.336 2.857 0 50 DFAA O=C(COc1cccc(Br)c1)NCc1ccccn1 7765585 CEQHRJYLVBHXAG-UHFFFAOYSA-N 321.174 2.539 0 50 DFAA Cc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCOCC3)nc2C1 10156873 QZFQNTKJSFGNAA-AWEZNQCLSA-N 323.396 2.534 0 50 DFAA Cc1ccnc(SCC(=O)Nc2ccc(F)c(F)c2F)n1 10230963 HRUBDGJAOMVMKJ-UHFFFAOYSA-N 313.304 2.933 0 50 DFAA O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccc(F)cc1 9060991 LEIGFPDMVUOBIE-CYBMUJFWSA-N 300.289 2.554 0 50 DFAA CC[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)c1c[nH]c(=O)[nH]1 55118885 TVWGGMMSXSTMCJ-SNVBAGLBSA-N 307.781 2.797 0 50 DFAA Cc1noc([C@H](NC(=O)COc2ccc(Cl)cc2)C(C)C)n1 112027108 OMXLKENRFNCUMS-CQSZACIVSA-N 323.780 2.924 0 50 DFAA Cc1nc(C(=O)N(C)CCc2nc3c(C)cccc3[nH]2)cs1 67804861 WGRHDVPWAJXERF-UHFFFAOYSA-N 314.414 2.951 0 50 DFAA c1ccc2c(c1)OCC[C@@H]2c1nc(-c2ccc3nn[nH]c3c2)no1 350479087 HPVKCMBRLKKHJF-LBPRGKRZSA-N 319.324 2.922 0 50 DFAA CCOc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1 65362632 GSLYIRGKVPDPAE-UHFFFAOYSA-N 304.434 2.937 0 50 DFAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](c2ccccc2)C1 121605585 MOJUYSOUVUJVLG-INIZCTEOSA-N 309.365 2.974 0 50 DFAA Cc1ccc(C(=O)N2CCn3c(CC(C)C)nnc3C2)c(F)c1 252551086 TYYBCGUCUYKJGO-UHFFFAOYSA-N 316.380 2.580 0 50 DFAA FC(F)(F)c1cc(CN2CC3(CCOCC3)[C@H]2C2CC2)[nH]n1 354424602 GGNBBUAQIZQGQW-CYBMUJFWSA-N 315.339 2.820 0 50 DFAA CC(=O)N(C[C@H]1CCCN1Cc1cnn(CC(C)C)c1)C1CC1 328632245 LFTPFQSQCHKJCC-GOSISDBHSA-N 318.465 2.514 0 50 DFAA COC(C)(C)C[C@H](C)NC1CCN(C(=O)c2ccco2)CC1 65465860 PVHMEKLUVTZPST-ZDUSSCGKSA-N 308.422 2.677 0 50 DFAA Oc1ccc(N2CCN(C(=S)NC3CCCCC3)CC2)cc1 1460377 ONLYFVFQQSPILX-UHFFFAOYSA-N 319.474 2.721 0 50 DFAA CC[C@H]1c2cccn2CCN1C(=O)CCC(=O)OC(C)(C)C 253433085 RPTSKIFIIOMOIB-ZDUSSCGKSA-N 306.406 2.903 0 50 DFAA Cc1cccc(C)c1-n1nnnc1C1(N(C)O)CCCCC1 4155026 QBFCOFZQZYRRFW-UHFFFAOYSA-N 301.394 2.760 0 50 DFAA CCc1noc(CC)c1CC(=O)N1CCCC[C@@H]1CCC(=O)O 237072560 GWGXIUQLOIAHPS-GFCCVEGCSA-N 322.405 2.588 0 50 DFAA C[C@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)C1CCC1 128419956 FCUCNJZEGALQLP-VIFPVBQESA-N 303.387 2.944 0 50 DFAA Cc1cc(C)nc(N2CCC=C(c3cn(C(C)C)nn3)CC2)n1 333169475 KAFXZRQECHLMNA-UHFFFAOYSA-N 312.421 2.950 0 50 DFAA CNC(=O)Nc1ccc(Oc2cccc(S(C)(=O)=O)c2)cc1 154578181 ODJYPXQDIOUGJR-UHFFFAOYSA-N 320.370 2.634 0 50 DFAA CC(C)OCCC(=O)N1CCC(c2ccccc2C(=O)O)CC1 364846031 SESSOUBAUIYRCC-UHFFFAOYSA-N 319.401 2.906 0 50 DFAA O=S(=O)(N[C@@H]1CCCC[C@H]1F)c1cccc2cnccc12 332386426 WKBWQRHBXILYJG-ZIAGYGMSSA-N 308.378 2.794 0 50 DFAA C[C@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccncc2)CCN1 370233232 NJBGIFZNPURJLF-HOCLYGCPSA-N 309.413 2.753 0 50 DFAA Clc1ccc([C@@H]2CCCCN2c2ccc3nnnn3n2)cc1 450827813 IWOUWKRYRICHOH-ZDUSSCGKSA-N 314.780 2.904 0 50 DFAA COc1cc2c(cc1OC)CCN(Cc1cccn1C)CC2 372436601 USHIHQHKULLSIT-UHFFFAOYSA-N 300.402 2.643 0 50 DFAA COC1(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)CCOCC1 375056841 HUOWANJXXLSOSB-MRXNPFEDSA-N 317.429 2.834 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1C[C@]12CCc1ccccc12 175299622 HQGAXRZISYAALW-HUUJSLGLSA-N 319.404 2.665 0 50 DFAA Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(O)c(F)c2)c1Cl 215690766 NFULRCSAQCEYGL-SSDOTTSWSA-N 311.744 2.718 0 50 DFAA CC(C)c1ccoc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 263551388 WPAVQEBTXVTQEE-UHFFFAOYSA-N 305.334 2.672 0 50 DFAA Fc1cccc(-c2nnn([C@H]3CCN(Cc4ccccc4)C3)n2)c1 339113640 JAIWCBBJWFMSGP-KRWDZBQOSA-N 323.375 2.926 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2ncsc2Br)CCO1 288315143 YSCGIMSZJZPCSJ-ZETCQYMHSA-N 319.224 2.593 0 50 DFAA CNC(=O)C[C@H](C)N(C)C(=O)Nc1ccc(C)c2ncccc12 426571517 NGHSTHGMEGRBLN-LBPRGKRZSA-N 314.389 2.532 0 50 DFAA Cc1cccc(OC2CN(C(=O)CC[C@H]3CCCCN3C)C2)c1 95373737 NMWNZURBXMXOGW-MRXNPFEDSA-N 316.445 2.849 0 50 DFAA Cc1nn(C)c2nc(N3CCC4(CCOCC4)CC3)sc12 96179642 QWLFODWHAKNNTL-UHFFFAOYSA-N 306.435 2.735 0 50 DFAA CCc1ccc(NC(=O)NCCSc2nc(C)n[nH]2)cc1 97394027 UGWQOPZDIIDZCH-UHFFFAOYSA-N 305.407 2.589 0 50 DFAA Cc1ccc2[nH]c(CNCC[C@H]3CCCCO3)cc(=O)c2c1 91997447 KRMDEUKNWNOTNS-OAHLLOKOSA-N 300.402 2.885 0 50 DFAA Cc1cccc(CN[C@@]2(CO)CCOc3ccccc32)c1F 296767773 LGZCJEBXSPNSLQ-GOSISDBHSA-N 301.361 2.894 0 50 DFAA O=C(CN1CCCC[C@@H]1c1ccccn1)NCc1cccs1 244763859 OWRVTULZNXCMDT-MRXNPFEDSA-N 315.442 2.987 0 50 DFAA C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1C[C@@H](O)C2 257346133 RPSMMZVJXWXNQX-ZWDOFTSYSA-N 306.446 2.930 0 50 DFAA CCCc1nc(CN(C)CCC(=O)Nc2cccc(F)c2)no1 252483787 FIHNVYIQYUEVRM-UHFFFAOYSA-N 320.368 2.622 0 50 DFAA O=C(O)Cc1c(Br)ccc(Br)c1F 263624278 OXVFJFUMBHSYII-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA Cc1cc(C)c2[nH]ccc(=NC[C@H]3CC(=O)N(C4CC4)C3)c2c1 825125123 BLSAJJNCJZQWNV-CQSZACIVSA-N 309.413 2.696 0 50 DFAA Cc1ccc(OC2CCN([C@H]3CCNC(=O)CC3)CC2)cc1 670467446 MFQISPKLFWFTSE-OAHLLOKOSA-N 302.418 2.507 0 50 DFAA CC(=O)c1cc(CN(C)Cc2cc(-c3ccccn3)no2)n(C)c1 670455708 YEQARIKFSAELLX-UHFFFAOYSA-N 324.384 2.910 0 50 DFAA C[C@H](NS(=O)(=O)N(C)Cc1ccccc1)C1=CCCCC1 670441101 SBDGFFRSDITDBU-AWEZNQCLSA-N 308.447 2.842 0 50 DFAA Cc1cc(=N[C@H]2CCC[C@H](N)C2)[nH]c(N(C)c2ccccc2)n1 1875359207 XYEUZSWYHVEXJP-GJZGRUSLSA-N 311.433 2.657 0 50 DFAA c1cc(-c2nnc3n2CCCC3)ccc1OC[C@@H]1C[N@]1C1CCC1 1875380212 IPIVQZGYASLNKD-QMHKHESXSA-N 324.428 2.897 0 50 DFAA 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O=C(c1ccc(Cl)c2occc12)N1CCO[C@@]2(CCOC2)C1 935434444 SXIOCXJSSJCQCM-INIZCTEOSA-N 321.760 2.718 0 50 DFAA Cc1cc(C)nc(SC[C@H](O)COCc2ccccc2)n1 52781 YMVYDDKAGHZYLM-OAHLLOKOSA-N 304.415 2.763 0 50 DFAA C[C@@]1(CO)C[C@@H](O)CN1Cc1cccc2cc(Cl)ccc12 2325793770 HHJVTOUOXKCMNA-WBVHZDCISA-N 305.805 2.811 0 50 DFAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 244555 YPFXSFAKYUFUNL-LLVKDONJSA-N 313.275 2.756 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN(C[C@H]2CC=CCC2)CC1 300417 IMZQLEVGXDYZTL-HNNXBMFYSA-N 302.393 2.940 0 50 DFAA Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(N)=O)c(C)c1 442232 AWRSDOULBFTDGG-UHFFFAOYSA-N 318.398 2.512 0 50 DFAA O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCc2ccccc21 4814419 YBEKUMOEUOGCNB-OAHLLOKOSA-N 312.413 2.757 0 50 DFAA COc1ccccc1NC(=O)CSc1nnc(C)n1C(C)C 6741141 OFYMXVIUHICETL-UHFFFAOYSA-N 320.418 2.907 0 50 DFAA CC[C@H](C)NC(=O)COCc1cc(-c2ccc(F)cc2)on1 6876409 QKQKBNDFDQOWCL-NSHDSACASA-N 306.337 2.912 0 50 DFAA Cc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)c1C 10314646 WZVGLSQMVGCSPN-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA COC(=O)CCCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 11873031 AQNIQUNHXWGDNW-OAHLLOKOSA-N 324.465 2.633 0 50 DFAA CN(CCCC1CCCC1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 12385824 HQSXHABTIGLNRO-OAHLLOKOSA-N 306.450 2.816 0 50 DFAA CC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 15073099 UBSDOVVJAKRGKA-GOSISDBHSA-N 306.450 2.818 0 50 DFAA c1ccc2cc(OCCOCCN3CCOCC3)ccc2c1 19638254 LSKMGXQHPCAGHR-UHFFFAOYSA-N 301.386 2.567 0 50 DFAA CN1CCCC[C@@H]1CCn1cnc2c(Cl)cccc2c1=O 43005151 APXDOHVPQXQXSV-GFCCVEGCSA-N 305.809 2.924 0 50 DFAA Cc1cccc(CNC(=O)c2cccc(NCC(=O)O)c2)c1C 55244464 SRSRFTRKOWLBRM-UHFFFAOYSA-N 312.369 2.730 0 50 DFAA CCCn1ncc(C(=O)N(CCOC)Cc2cccs2)c1C 55341446 FROGZCBHWUYTOB-UHFFFAOYSA-N 321.446 2.952 0 50 DFAA CC(C)(C)c1cc(CN2CCC(N3CCSCC3)CC2)n[nH]1 67605117 SIGXSMGECCAAHZ-UHFFFAOYSA-N 322.522 2.720 0 50 DFAA CC(C)(C)c1ncc2c(n1)CN(C(=O)Cc1cccc(F)c1)C2 67774680 PIQKIPUIHVEXBH-UHFFFAOYSA-N 313.376 2.998 0 50 DFAA CCCn1nnc2cc(C(=O)OCC)cc(Br)c21 95496128 CNUXEFRDQCKJNS-UHFFFAOYSA-N 312.167 2.781 0 50 DFAA COc1cc2c(cc1CNC(=O)CCCc1cn[nH]c1)CCC2 96138830 XVBCXWWHFZYMBA-UHFFFAOYSA-N 313.401 2.546 0 50 DFAA Cc1ccc2c(-c3ncc(F)c(N4CCOCC4)n3)cccc2n1 97474881 MIBZLKQQLDBEEL-UHFFFAOYSA-N 324.359 2.976 0 50 DFAA CCC[C@@H](NCc1cc2c(cc1OCC)C[C@H](C)O2)C(=O)O 123215347 LRYYSZTVOVBTGU-SMDDNHRTSA-N 307.390 2.752 0 50 DFAA c1nc2c(c(Sc3nnc4n3CCCCC4)n1)CCCC2 129122432 LOVWHBQVTXTIJT-UHFFFAOYSA-N 301.419 2.825 0 50 DFAA Cn1cnnc1[C@H]1CCCN1Cc1cc(F)cc2cccnc12 156777059 TZURMDRWCGEOBY-OAHLLOKOSA-N 311.364 2.840 0 50 DFAA C[C@H](NC1CCC2(CC1)OCCO2)[C@H]1COc2ccccc21 156920568 JCELRQFGQIDKIR-XJKSGUPXSA-N 303.402 2.826 0 50 DFAA Cc1noc(C)c1CNC(=O)c1cc(-c2cccs2)n[nH]1 169751637 JMQSSGYIWGDSCN-UHFFFAOYSA-N 302.359 2.673 0 50 DFAA CN1[C@H]2CCC[C@H]1CC(NC(=O)COc1ccc(Cl)cc1)C2 174172293 LWGUZNUKQCRYSC-GJZGRUSLSA-N 322.836 2.850 0 50 DFAA C[C@H]1C[C@H](N(C)CCCC(=O)O)CCN1Cc1ccccc1 176915432 DTVJTTTYELPIST-DOTOQJQBSA-N 304.434 2.836 0 50 DFAA C[C@@H]1CCN(C(=O)NCCc2cccc3ccccc23)[C@H]1CO 190297705 QBWZEBHONJZUQW-KDOFPFPSSA-N 312.413 2.795 0 50 DFAA CS[C@H](C)CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190331641 PTDKGUGVRGOZMZ-SNPRPXQTSA-N 308.447 2.815 0 50 DFAA CO[C@H](C)CNC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 190703353 UCAQFDWVVBKWNY-CHWSQXEVSA-N 316.405 2.576 0 50 DFAA Cc1nn(C)c(C)c1CCNC(=O)c1nccc2ccccc12 195442064 QTNGMTIHESXIFI-UHFFFAOYSA-N 308.385 2.558 0 50 DFAA Cc1ccoc1C(=O)N1CC[C@H](c2sccc2C)[C@@H](O)C1 209976060 GMKVULGBQVWZAQ-STQMWFEESA-N 305.399 2.949 0 50 DFAA CN(Cc1ccc2cccc(Cl)c2n1)C[C@H]1COCCO1 215854258 OXJNDACODLFSAD-AWEZNQCLSA-N 306.793 2.735 0 50 DFAA O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2cc3c(cc2O1)OCO3 217723269 MJKBYIXYDVOBMG-NSHDSACASA-N 312.277 2.555 0 50 DFAA biogenic COc1ccsc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 220476155 WQYKGVIXUYSJHT-VWYCJHECSA-N 309.387 2.615 0 50 DFAA COc1ccccc1C[C@@H](C)CC(=O)N1CCC(C(=O)O)CC1 237192255 ULROPTVMRAJTJF-CYBMUJFWSA-N 319.401 2.587 0 50 DFAA Cc1c(C(=O)N2CC[C@@H](C(=O)O)C2)sc2ccc(F)cc12 237763668 XUOZVWKXKKOXIW-SECBINFHSA-N 307.346 2.896 0 50 DFAA Cc1ccc(NC(=O)N2[C@H](C(N)=O)C[C@@H]3CCCC[C@H]32)cc1 242106281 WIJURQZRSMTLGV-CFVMTHIKSA-N 301.390 2.645 0 50 DFAA O=C(O)[C@H]1CN(Cc2cccc(O)c2)C[C@@H]1c1cccc(F)c1 247960030 PVRYXAPQPAILNU-SJORKVTESA-N 315.344 2.832 0 50 DFAA CC(C)N1CCC(NC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1 252585748 KUBFXYBUNCITKH-NBZXXOOGSA-N 319.493 2.983 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](C)c1c(C)noc1C 253374812 NPXWUVKHOHKOPY-APHBMKBZSA-N 319.449 2.870 0 50 DFAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)c1c(C)noc1C 253374813 NPXWUVKHOHKOPY-DAXOMENPSA-N 319.449 2.870 0 50 DFAA Cc1nccc(CNC(=O)c2c(C)nc3ccccc3c2C)n1 253419520 ZTXIXAOVHKCXBZ-UHFFFAOYSA-N 306.369 2.880 0 50 DFAA CCc1cc(N2CC(C)(C)[C@@H]2c2cccnc2)n2ncnc2n1 253428693 BCOJCIIOGBSWMN-HNNXBMFYSA-N 308.389 2.669 0 50 DFAA COc1ccsc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 262362677 WODHIGFXSWTCCY-CYBMUJFWSA-N 317.366 2.581 0 50 DFAA CC(C)(C(=O)Nc1nc2c(s1)C[C@@H](N)CC2)c1ccccc1 262407123 CUGWYXWMIOECOQ-LBPRGKRZSA-N 315.442 2.875 0 50 DFAA C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)[C@H]1C[C@@]12CCc1ccccc12 263353899 QJPUDNMWXNQKDU-OZSDWXKXSA-N 313.397 2.602 0 50 DFAA CC(C)(CO)NC(=O)Nc1ccnc(OCc2ccccc2)c1 282694314 FCSYLMRNPVXSMM-UHFFFAOYSA-N 315.373 2.553 0 50 DFAA CC1(C)C[C@H](NC(=O)[C@](C)(O)c2ccc(Cl)cc2)CCO1 293692035 XQIIRPQRALQSOP-CZUORRHYSA-N 311.809 2.621 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 299745060 VVHOHRPKZRANJY-MRVWCRGKSA-N 307.777 2.767 0 50 DFAA CC[C@@H](OC(=O)CCC1CCCC1)C(=O)Nc1cc(C)on1 328592337 HANFSLNARBIUFM-CYBMUJFWSA-N 308.378 3.214 0 50 DFAA C[C@H]1CCCN1C(=O)c1cnn(-c2ccncc2)c1C(F)F 362605993 KCJJANHNTHVZLA-JTQLQIEISA-N 306.316 2.829 0 50 DFAA O=C(CC(F)(F)F)N1CCC[C@]1(CO)Cc1ccccc1 365149658 GWBFBTKDFRMYDK-CQSZACIVSA-N 301.308 2.535 0 50 DFAA O=C(C1=CCCCO1)N1CCC[C@](CO)(Cc2ccccc2)C1 368290205 DEAISBAEXIQURP-IBGZPJMESA-N 315.413 2.525 0 50 DFAA Cc1nnccc1C(=O)NCCc1nc(-c2ccccc2)oc1C 372195437 JJJDRKFSHQEYOW-UHFFFAOYSA-N 322.368 2.721 0 50 DFAA CC[C@@H]1C[C@H](CN2CCC(N(C)c3cccnn3)CC2)CCO1 390833363 GQAKMXCRVJRIEF-NVXWUHKLSA-N 318.465 2.582 0 50 DFAA C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 408230553 CALZNLMXSZEAQG-UKRRQHHQSA-N 315.479 2.629 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c(C)n1 408473480 LGHCIKANNKAQBY-IUODEOHRSA-N 310.401 2.804 0 50 DFAA Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)nn1 412369918 PSOAFPSDKOOCFF-AWEZNQCLSA-N 317.776 2.732 0 50 DFAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 426477395 NAAZEVXQTPNNHH-MRXNPFEDSA-N 311.385 2.703 0 50 DFAA COc1cccc([C@H]2C[C@H](NCc3ccc(C(N)=O)cc3)C2)c1 449617963 XCJFSDIQPAIFON-QAQDUYKDSA-N 310.397 2.830 0 50 DFAA O=C(NCCSc1ccccn1)N1C[C@H]2CC=CC[C@H]2C1 584894392 LIHJGKRWYMYINB-OKILXGFUSA-N 303.431 2.781 0 50 DFAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)NC/C=C/c1ccccc1)C2 584897202 OGTJDDXHKOWIJW-BATOGMGGSA-N 313.445 2.826 0 50 DFAA O=C(NCc1ccc(C2CC2)cc1F)N[C@H]1CC12CCNCC2 612983203 NPKKXKOGQRTVMX-INIZCTEOSA-N 317.408 2.644 0 50 DFAA Fc1cccc(F)c1N1CCN(CCc2cscn2)CC1 645944386 NJDCTNPBFNNMIL-UHFFFAOYSA-N 309.385 2.786 0 50 DFAA Cc1nn(Cc2ccc(Cl)cn2)c(C)c1[C@@H]1CCCC(=O)N1 664096114 OVTHYFJQLUHIQE-AWEZNQCLSA-N 318.808 2.938 0 50 DFAA CC(C)c1noc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)n1 670452472 GCRBQQBTJGVXPZ-LLVKDONJSA-N 312.377 2.848 0 50 DFAA COc1cccc([C@@H](C)NC(=O)CCN2CCCCCC2=O)c1 824787269 SNLGRNOFQSLDRT-CQSZACIVSA-N 318.417 2.665 0 50 DFAA O=C(NC[C@H]1CCCN(CCC(F)(F)F)C1)c1cscn1 952870298 ZUJLWFRCYYKYFN-SNVBAGLBSA-N 321.368 2.537 0 50 DFAA C[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1cccc(C2CC2)c1 1433489907 RMSOAQNRXAJHIC-STQMWFEESA-N 319.426 2.690 0 50 DFAA CCN1CC[C@@H](NC2CCN(c3ccc(F)c(F)c3)CC2)C1 1506415638 ZUJOYZYWCUVXFR-CQSZACIVSA-N 309.404 2.617 0 50 DFAA CCc1noc(NC(=O)c2cc(OC)c(OC)cc2OC)c1C 1529159083 NTITUESLDSJUPH-UHFFFAOYSA-N 320.345 2.824 0 50 DFAA C[C@@H](c1n[nH]c(=N)s1)n1ccnc1-c1ccc2ncccc2c1 1857685887 YWOSIQDINMXOIC-JTQLQIEISA-N 322.397 2.972 0 50 DFAA CC[C@]12COC(=O)N1CCN(CCCOc1ccc(F)cc1)C2 1857686430 WPCYRSVIJDEEPQ-KRWDZBQOSA-N 322.380 2.511 0 50 DFAA CC(C)(c1nc(-c2ncc(Br)cn2)no1)C1CC1 1875274978 JIOPNIGTXLGAEW-UHFFFAOYSA-N 309.167 2.977 0 50 DFAA C[C@H](CCN(C)[C@H](C(=O)O)C1CCOCC1)c1ccccc1 1875283607 XSKMHGLBEJGFCE-PBHICJAKSA-N 305.418 2.992 0 50 DFAA C[C@@]1(C(=O)NCCc2c[nH]c3cc(F)cc(F)c23)CCC[C@@H]1N 1875292230 AQOXPMWRANLDPF-WMLDXEAASA-N 321.371 2.622 0 50 DFAA CC(C)[C@H]1CCOCCN1Cc1c(Cl)nc(Cl)n1C 2325784181 FXXCMNJDVWRMGG-SNVBAGLBSA-N 306.237 2.974 0 50 DFAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@H]1C[C@H]1C 2325841982 LIISWWMVRFGKQL-QRTLGDNMSA-N 303.337 2.639 0 50 DFAA CN(C)c1ccc(-c2ccnc(NCCc3ncc[nH]3)n2)cc1 2356163834 SQSRIQODRPQULB-UHFFFAOYSA-N 308.389 2.587 0 50 DFAA Cc1cccc(COc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1 126577 HELKSTVPOXZUIQ-SFHVURJKSA-N 310.353 2.629 0 50 DFAA O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCCCCC1 212506 DUHNYFLYNIHAKB-KRWDZBQOSA-N 301.434 2.696 0 50 DFAA CSCCC(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 12456738 GDNIOFUCYNICDJ-QGZVFWFLSA-N 320.502 2.905 0 50 DFAA C[C@H]1CCc2nc(NC(=O)CSc3ncccn3)sc2C1 2840507 MOBWCWGVWISBRC-VIFPVBQESA-N 320.443 2.789 0 50 DFAA C[C@@H](N)[C@H]1CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 112511315 INKAXOUGBFGJSR-YPMHNXCESA-N 314.351 2.834 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)CC(=O)N2 9042409 KNKLFPUWRZCJSL-AWEZNQCLSA-N 305.337 2.706 0 50 DFAA Cc1nsc(C)c1C(=O)Nc1cccc(-c2ncn(C)n2)c1 346269199 GJTNURVECZKDRW-UHFFFAOYSA-N 313.386 2.808 0 50 DFAA CCN1CCC[C@H](CNC(=O)Cc2c(C)[nH]c3ccccc23)C1 67896235 FHDDKHHNSFFKSI-OAHLLOKOSA-N 313.445 2.867 0 50 DFAA COC[C@H](c1ccccn1)N(C)Cc1c(C)nn(C)c1Cl 65529301 VGEISXIXVWDXFZ-CQSZACIVSA-N 308.813 2.596 0 50 DFAA c1cn([C@@H]2CCCN(Cc3cnc(C4CCC4)s3)C2)nn1 425351974 OCFVKJOSJSMHRS-CYBMUJFWSA-N 303.435 2.839 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3cncs3)C[C@H]21 230110448 LQMNTMYFRPAUIR-IACUBPJLSA-N 323.462 2.878 0 50 DFAA COc1ccc(C(=O)NCc2cccnc2)cc1Br 306577 WCTWWMCMNKBESQ-UHFFFAOYSA-N 321.174 2.783 0 50 DFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1Cl 364340 KQXFBPXQGHDFBT-GFCCVEGCSA-N 310.806 2.696 0 50 DFAA O=C(O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 37641984 PDBZUOKGPCNEKC-UHFFFAOYSA-N 311.746 2.839 0 50 DFAA C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)N1CCCCC1 32594187 MSDYODBOQNSCDM-AWEZNQCLSA-N 313.401 2.946 0 50 DFAA C[C@@]1(c2cccnc2)OC(=O)N(CCc2ccccc2)[C@]1(C)O 4709117 ACFVCYZIRGWJBP-ZWKOTPCHSA-N 312.369 2.700 0 50 DFAA COc1cc(Cl)cc(C(=O)N2CCC[C@@H](N(C)C)CC2)c1 72146723 YMRFJEDABFDXFS-CQSZACIVSA-N 310.825 2.905 0 50 DFAA c1ccc([C@@H]2CN(c3ncccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72158669 NLYPMGMWRQHQMQ-RCCFBDPRSA-N 306.413 2.543 0 50 DFAA COC[C@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72431092 VGPQXHURAAXXHO-INIZCTEOSA-N 319.445 2.889 0 50 DFAA O=C(O)[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)Cc2ccccc21 261769796 QUYYOGRXUQPAJO-IRXDYDNUSA-N 307.349 2.537 0 50 DFAA Cc1cccc2nnc(-c3cccc(CN4CCOCC4)c3)n12 32520279 NRJNQPSBKCXWFB-UHFFFAOYSA-N 308.385 2.537 0 50 DFAA CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)/C=C/CN(C)C 493638343 AAGNNOPCHHJWDE-YSQDTGDNSA-N 316.445 2.572 0 50 DFAA Cc1cc(N2CC[C@]3(CCCOC3)C2)nc(-c2ccncc2)n1 376488188 OKIBLBZSVOODKV-GOSISDBHSA-N 310.401 2.854 0 50 DFAA C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](Cc2ccccc2)C1 130883030 KACFGRDACMIPRI-GXTWGEPZSA-N 314.351 2.618 0 50 DFAA Cc1csc(C2CCN(C(=O)c3ncncc3Cl)CC2)n1 175203943 NDLHOKRAFNAZOE-UHFFFAOYSA-N 322.821 2.915 0 50 DFAA CN1CCC2(CC1)CCN(C(=O)c1ccc(Cl)cc1O)C2 222328151 VFNWNKDHYAMCCQ-UHFFFAOYSA-N 308.809 2.604 0 50 DFAA C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(-c3cnn(C)c3)cs2)O1 176870241 OOGLSZOCUBHHBQ-PWSUYJOCSA-N 320.418 2.830 0 50 DFAA O=C1CCC[C@@H](CC(=O)N(Cc2ccccc2)c2ccccn2)N1 288522951 WEWXVBYZLFEOHS-INIZCTEOSA-N 323.396 2.674 0 50 DFAA CC(=O)CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 226813654 XMUOMIROPNJGCO-CQSZACIVSA-N 307.346 2.515 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)c2cccn2Cc2cccs2)C1 178261364 URNOWYYETGTYBR-INIZCTEOSA-N 318.398 2.535 0 50 DFAA Cc1cccnc1C[C@H](C)N(C)C(=O)NCC(C)(C)CN(C)C 426519038 XWQDTMMOHBTWJN-HNNXBMFYSA-N 320.481 2.550 0 50 DFAA C[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCO2)c1cnn(C)c1 266425893 WQFWFQRZRCNGKK-MRVPVSSYSA-N 322.752 2.685 0 50 DFAA c1ccc(CCN2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 91452279 GUNUFBLBKSWIBH-QZTJIDSGSA-N 308.429 2.620 0 50 DFAA CC[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3=O)CCCO1 293577866 JNWZKZUXKJZPCY-HNNXBMFYSA-N 301.386 2.847 0 50 DFAA Cc1ccc2[nH]c(CN(C)C(=O)[C@@H]3CCCCCN3C)nc2c1 91952293 GPFNBRICWMRYTK-INIZCTEOSA-N 314.433 2.704 0 50 DFAA Cn1nc(-c2cccs2)cc1-c1nc([C@H]2CCOC2)no1 96138420 ATLMCBIMIKRRPT-VIFPVBQESA-N 302.359 2.703 0 50 DFAA CSCc1noc(Cn2c(C)cc(=O)c3ccccc32)n1 95376939 MLDOFCJORSVDMA-UHFFFAOYSA-N 301.371 2.604 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 92003645 PFSRBAXIVWLGSE-UHFFFAOYSA-N 310.357 2.954 0 50 DFAA Cc1ncsc1CCN(C)Cc1nnc(-c2ccco2)o1 244605590 FBKMUFHXNDTFPE-UHFFFAOYSA-N 304.375 2.769 0 50 DFAA Cc1nccn1CC1CCN(Cc2nnc(C(C)C)o2)CC1 252507836 WUOLXDUTFPFJIV-UHFFFAOYSA-N 303.410 2.610 0 50 DFAA Cc1nc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)cs1 252528067 DZLABXAJUATACG-KKUMJFAQSA-N 316.426 2.564 0 50 DFAA CCn1nc(C)c(CNC(=O)[C@@H](C)n2ccnc2C(C)C)c1C 299796444 OHUGMVQXFQYZPT-CQSZACIVSA-N 317.437 2.717 0 50 DFAA CC[C@](O)(CCCO)CNC(=O)Nc1ccc(Cl)cc1F 299775974 MFDIQBZANVURPK-AWEZNQCLSA-N 318.776 2.514 0 50 DFAA CCCn1nccc1C(=O)NCCCc1nc2ccccc2o1 299782594 GKTBQMYJJHPARE-UHFFFAOYSA-N 312.373 2.797 0 50 DFAA O=C(NC[C@H]1CCOC1)Nc1ccc(-n2ccnc2)c(Cl)c1 299796806 PTKUOLBVOQRCKO-LLVKDONJSA-N 320.780 2.684 0 50 DFAA O=C(C1CCC1)N1CCCN(Cc2cnccc2Cl)CC1 584896615 OEUOHMAPRMQMSG-UHFFFAOYSA-N 307.825 2.569 0 50 DFAA CC[C@H](O)Cn1nc(C2CC2)nc1CCc1ccc(F)c(F)c1 670465863 HJJFXCHWBTYPNR-ZDUSSCGKSA-N 321.371 2.990 0 50 DFAA CC(C)(C)c1nc(Cn2ccnc2[C@@H](O)c2ccco2)co1 877880806 JCQGHUGAJCORGO-ZDUSSCGKSA-N 301.346 2.892 0 50 DFAA CC(=O)N[C@@H]1CCN(Cc2cc3ccc(F)cc3nc2Cl)C1 1875275282 OTFJXFYTZSBZKG-CQSZACIVSA-N 321.783 2.738 0 50 DFAA CC(C)(C)CC(=O)NS(=O)(=O)Cc1cccc2cccnc12 1875254400 BJOUCRRLZBZWJQ-UHFFFAOYSA-N 320.414 2.617 0 50 DFAA CCOCc1ccc(N=c2cncc(Br)[nH]2)cc1 1875309351 KEOHJMCVCQIFOQ-UHFFFAOYSA-N 308.179 2.941 0 50 DFAA Cc1ccc(-c2ccccc2)cc1C(=O)NCCO[C@H]1CCNC1 1875304227 DLMJAPBYCMLDEO-SFHVURJKSA-N 324.424 2.770 0 50 DFAA O=C1CCCCN1c1cccc(OC[C@@H]2C[N@@]2CC2CC2)c1 1875384347 FRWKUNRGKXAUHM-QFBILLFUSA-N 300.402 2.677 0 50 DFAA Cc1cc2nc(O)[nH]c2c(NC(=O)C[C@H](C)n2cccn2)c1C 952976651 NZZHYDMDTKCOBU-JTQLQIEISA-N 313.361 2.672 0 50 DFAA Cc1cccc(NC(=O)CC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)c1C 952969831 KBNSHYJDBRKEJR-IJEWVQPXSA-N 300.402 2.937 0 50 DFAA Cc1cnn([C@H]2CCN(C[C@@H]3COC4(CCCCC4)O3)C2)c1 952880668 KJPKSJMYGMYQJH-JKSUJKDBSA-N 305.422 2.514 0 50 DFAA O=S(=O)(NCc1ccco1)c1ccc(Br)cc1 4673424 NGVHZPNNKXJGFK-UHFFFAOYSA-N 316.176 2.521 0 50 DFAA Clc1ccc2ncc(CNC[C@@H]3CCc4nccn4C3)n2c1 275611468 QYFPRNSFBGLJPP-LBPRGKRZSA-N 315.808 2.536 0 50 DFAA O=C(c1ccc2nc(S)oc2c1)N(C[C@H]1CCOC1)C1CC1 170647503 GLEGDPQALPJSOD-SNVBAGLBSA-N 318.398 2.758 0 50 DFAA COC(=O)c1ccc2c(c1)CCN2C(=O)CC[C@H]1CCCOC1 170652054 NWEPMGFGISXOKD-CYBMUJFWSA-N 317.385 2.569 0 50 DFAA O=C(NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)c1cc(F)cc2nc(S)[nH]c12 225388730 RCSZFRPKTXPABT-ZWRCQFPCSA-N 317.389 2.765 0 50 DFAA Cc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)c(C)s1 659200009 JMQUCWUKOQEADQ-UHFFFAOYSA-N 307.375 2.633 0 50 DFAA C[C@@H]1C[C@@H](C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CC(C)(C)C1 585091071 STUCBJVRUQOUFC-JHJVBQTASA-N 320.437 2.735 0 50 DFAA Cc1ncc2c(n1)CC[C@H](NCc1scnc1C1CC1)C2 683765665 WPSKPVFIHOWRIY-ZDUSSCGKSA-N 300.431 2.766 0 50 DFAA Oc1cccc(N2CCN([C@H]3CCN(c4ccccc4)C3)CC2)c1 1506403549 UFZQQPLEWDIICP-IBGZPJMESA-N 323.440 2.793 0 50 DFAA O=C1[C@@H]2CC[C@@H](CN(c3nc4ccccc4o3)C2)N1CC1CC1 222312519 OIMWIWDNBLXBOM-KGLIPLIRSA-N 311.385 2.665 0 50 DFAA C[C@@]12C[C@@H](NC(=O)N1C[C@H]1CCCO1)c1cc(F)cc(F)c1O2 1615612247 BFNVXURJEWYCFE-CKUKBARFSA-N 324.327 2.709 0 50 DFAA CC(C)N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 5016945 KMAMROQYTLPRCN-UHFFFAOYSA-N 324.380 2.681 0 50 DFAA CCn1c(C)nc2c(I)c(O)ccc21 5061157 XKEVBYOALXEVAZ-UHFFFAOYSA-N 302.115 2.675 0 50 DFAA COc1cccc(C(=O)Nc2cc3c(cc2C)oc(=O)n3C)c1 16284476 BDCFZUUCNNPTSO-UHFFFAOYSA-N 312.325 2.701 0 50 DFAA c1ccc(Cc2nc3ccccc3n2CCN2CCOCC2)cc1 19372812 HCVXPECGMMSMNT-UHFFFAOYSA-N 321.424 2.959 0 50 DFAA CC(=O)NCC(=O)N1CCCCC[C@@H]1C=Cc1cccs1 1857528975 RTDHHBCZWYTGKK-CQSZACIVSA-N 306.431 2.669 0 50 DFAA CS(=O)(=O)c1ccccc1CN1CCc2ccccc2CC1 1857529830 OIHBITKPBKDKSH-UHFFFAOYSA-N 315.438 2.691 0 50 DFAA CC(C)=CC[C@@]1(C(=O)NCCc2cccnc2)C[C@@H]2CC[C@H]1N2 1857667522 HDMJAKNRLDPSED-YQVWRLOYSA-N 313.445 2.607 0 50 DFAA CC(C)(C(=O)NCc1cccc(C(=O)O)c1)[C@H]1CCCCO1 630133336 DTUNFJRPLJEECB-CQSZACIVSA-N 305.374 2.596 0 50 DFAA CC(C)n1cc(C(=O)N[C@H]2CCc3c(Cl)cccc32)nn1 428181855 BLMOEMFPWKGMLT-ZDUSSCGKSA-N 304.781 2.930 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c(C(F)F)n[nH]c1C 330739766 QNNVVEMAOPXXNN-LURJTMIESA-N 311.336 2.748 0 50 DFAA CN(C)c1ccc([C@@H]2CCCN2C(=O)C2C(C)(C)C2(C)C)nn1 643889893 OWLAMAKDXRSFBF-ZDUSSCGKSA-N 316.449 2.888 0 50 DFAA CC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 266285219 BTHXZYXJQKUESF-QGZVFWFLSA-N 302.418 2.835 0 50 DFAA O=C(N[C@@H]1CCc2c(F)cccc21)N[C@@H]1CCCC[C@H]1CO 267053565 GXOUIXRWCWSARK-IUIKQTSFSA-N 306.381 2.663 0 50 DFAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc3ncccc3c2)C1 393330534 QWHAMOUQXMDIOW-TZMCWYRMSA-N 323.318 2.729 0 50 DFAA CCn1nc(C)c(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)n1 822571184 YMLQMIRDTGRPIC-SNVBAGLBSA-N 321.812 2.820 0 50 DFAA CCCN(CCC)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 389171 ACDUZLVOHMATPU-UHFFFAOYSA-N 319.810 2.849 0 50 DFAA CCOC(=O)[C@H](C)Oc1cc2oc(=O)cc(C)c2cc1CC 86570 PZYJJNJAECYRQY-NSHDSACASA-N 304.342 2.994 0 50 DFAA biogenic Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1-c1ccccc1 186517 XMHZTEGRDMKPRB-UHFFFAOYSA-N 315.398 2.584 0 50 DFAA O=C1CC[C@H](NC[C@H]2CCN2C2CC2)c2cc(Cl)ccc2N1 2325773827 JGDRNZOEQIVFEX-HIFRSBDPSA-N 319.836 2.940 0 50 DFAA CN1CCN(Cc2ccn3nccc3c2)C[C@H]1Cc1ccccc1 2325857420 ATMULFMLNYAIEM-HXUWFJFHSA-N 320.440 2.693 0 50 DFAA NCc1ccc(NC(=O)c2ncsc2-c2ccccn2)cc1 2325858515 QIDZFZFDQOJLGS-UHFFFAOYSA-N 310.382 2.916 0 50 DFAA COc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1 29896 JGPMJYXGPMJKCW-UHFFFAOYSA-N 301.342 2.642 0 50 DFAA COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44393 JQAIOQAQANYDBT-ZDUSSCGKSA-N 310.353 2.687 0 50 DFAA COc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](C)CC3=O)cc1 2224503 ZGENLZANSROTEW-SNVBAGLBSA-N 311.341 2.503 0 50 DFAA CCOC(=O)CNC(=O)CC(c1ccccc1)c1ccccc1 2740241 KUKRIPCJNOEIAD-UHFFFAOYSA-N 311.381 2.888 0 50 DFAA CCOCCc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 2876257 KPDSJVCWDILKDX-NSHDSACASA-N 321.402 2.523 0 50 DFAA Cc1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1 3389257 SJQULKAHRASCNS-UHFFFAOYSA-N 313.835 2.908 0 50 DFAA COc1c(S(=O)(=O)N2CCCC2)ccc(Cl)c1Cl 4197087 PDDJQTWBKGSXCD-UHFFFAOYSA-N 310.202 2.787 0 50 DFAA CC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C 5824506 SUBUTBGKVLTEOL-UHFFFAOYSA-N 314.433 2.806 0 50 DFAA O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(F)cc1 7000085 SVQWBNHEICBERZ-UHFFFAOYSA-N 318.333 2.935 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1 9341796 SMGSWALMILROKX-UHFFFAOYSA-N 311.341 2.856 0 50 DFAA COCCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 10155012 DQARHLVWMSRNLF-UHFFFAOYSA-N 301.342 2.973 0 50 DFAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)Cn1nc(C)nc1C 12420404 MHZJDUAPOWJQGX-VIFPVBQESA-N 322.796 2.832 0 50 DFAA O=C(N[C@H]1CC(=O)N(CCCc2ccccc2)C1)C1CCCC1 12711165 GONIVZILCSCEAU-KRWDZBQOSA-N 314.429 2.527 0 50 DFAA COc1cccc(OC)c1C(=O)NCCCN1CCCCCC1 13669377 ZQCAUCVQEWOXPI-UHFFFAOYSA-N 320.433 2.700 0 50 DFAA O=C(CN1CCOCC1)Nc1c(Cl)cc(Cl)cc1Cl 20386199 IBOXGQFTAOXOID-UHFFFAOYSA-N 323.607 2.918 0 50 DFAA C[C@@H](O)CNCCNCc1ccc(-c2ccc(Cl)cc2)o1 32496991 HIBCYRSGPIIOOU-GFCCVEGCSA-N 308.809 2.660 0 50 DFAA C[C@@H](NCc1nc(-c2ccco2)no1)c1cn2ccsc2n1 65405408 VNYHRNBYHROKFU-SECBINFHSA-N 315.358 2.890 0 50 DFAA Cc1cccnc1C[C@@H](C)NC(=O)c1ccc(-c2nc[nH]n2)cc1 67673798 XNJLDPCZNNETLB-CYBMUJFWSA-N 321.384 2.536 0 50 DFAA N[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2OCc2ccccc2)C1 67843432 IIPSHPXOVISRPY-QZTJIDSGSA-N 324.424 2.804 0 50 DFAA COc1ccc(CCCC(=O)N2CC[C@@]3(CCCNC3)C2)cc1 67885535 SMWMTUYZXQAFQA-LJQANCHMSA-N 316.445 2.620 0 50 DFAA CCO[C@H]1COC[C@@H]1NC1CCN(c2cccc(C)c2C)CC1 67934989 LFYLMBXIGJUFJL-HKUYNNGSSA-N 318.461 2.666 0 50 DFAA CN(Cc1ccc2ccccc2n1)C(=O)/C=C/c1cnn(C)c1 67955428 VEQVZIJZUINIKA-JXMROGBWSA-N 306.369 2.640 0 50 DFAA Cc1nc([C@@H](C)Nc2nccc(CCC(F)(F)F)n2)n[nH]1 71714628 WZUPZNWWLCHHON-SSDOTTSWSA-N 300.288 2.571 0 50 DFAA COCCC[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 77422042 DBQLLBDCPINVSE-SNVBAGLBSA-N 319.327 2.850 0 50 DFAA Cc1ccc(NC(=O)NCCc2nc(C3CC3)no2)c(F)c1 95497566 MWMONNYCJNHJAA-UHFFFAOYSA-N 304.325 2.759 0 50 DFAA c1cn(CC2CC2)c([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)n1 95500115 NOWJEZAEVPMBSZ-AWEZNQCLSA-N 322.416 2.948 0 50 DFAA CN1CCCN(C(=O)Nc2ccc(-c3cscn3)cc2)CC1 95508892 HVQIEMLBIKBGSL-UHFFFAOYSA-N 316.430 2.980 0 50 DFAA CCOc1cc(CN2CCC[C@H](CN)C2)c(Cl)cc1OC 97756408 BNQMDAAFGOACCO-GFCCVEGCSA-N 312.841 2.918 0 50 DFAA O=C1CC[C@]2(C(=O)N3C[C@H]4CC[C@H]3C4)Sc3ccccc3N12 110568273 KFVYIRDSMGSDJY-NVGCLXPQSA-N 314.410 2.626 0 50 DFAA O=C(C[C@@H]1COCCN1Cc1ccncc1)c1cccs1 154378801 CMOHFGYKWZFJMV-CQSZACIVSA-N 302.399 2.617 0 50 DFAA C=CC(=O)NCCC(=O)NC1(c2ccc(F)cc2F)CCCC1 161082327 WMQOOLGOTRVBMH-UHFFFAOYSA-N 322.355 2.543 0 50 DFAA CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc2n1CCCC2 162431985 XFRYNKCLFYMQME-LBPRGKRZSA-N 318.352 2.550 0 50 DFAA NC(=O)C[C@@H]1CCCN(CCCc2c(F)cccc2Cl)C1 170607081 CWXYBAKSDAIXOE-LBPRGKRZSA-N 312.816 2.999 0 50 DFAA Cc1cncc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 176727200 FFPHHKLAFGKYEX-AEFFLSMTSA-N 323.396 2.938 0 50 DFAA O[C@@H](CN[C@H](c1ccc(F)cc1)C1CCCC1)Cn1cccn1 180300262 SUBHINOISMJIFM-ROUUACIJSA-N 317.408 2.904 0 50 DFAA COC(=O)CC1(NC(=O)Cc2c[nH]c3ccccc23)CCCC1 193902130 AXSOAJVZULJFMU-UHFFFAOYSA-N 314.385 2.703 0 50 DFAA CSc1ncc(CN2CC(Oc3ccccc3F)C2)cn1 215602527 POXGTTGXXYAUNQ-UHFFFAOYSA-N 305.378 2.601 0 50 DFAA Cc1nc(CNC(=O)C[C@@H](c2ccccc2)c2ccco2)n[nH]1 215844186 REBNNCLPLJHVJR-AWEZNQCLSA-N 310.357 2.545 0 50 DFAA Cc1noc([C@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)n1 220130777 YBEKKVJTLUETJV-CYBMUJFWSA-N 311.345 2.622 0 50 DFAA C[C@H](NC(=O)N1CC[C@@H]([C@H](C)O)C1)c1ccc(Cl)c(F)c1 221800995 IVLVGEIACZEBJS-JBLDHEPKSA-N 314.788 2.952 0 50 DFAA CC[C@H](CO)NC(=O)Nc1cc(Br)c(F)cc1F 225525608 VYLFUOFVNBPUNK-ZCFIWIBFSA-N 323.137 2.620 0 50 DFAA Cc1nc(NCc2ccc3c(c2)CCCO3)cc([C@H]2C[C@H](N)C2)n1 244724069 MMYHMTUQUAXYRZ-WKILWMFISA-N 324.428 2.927 0 50 DFAA COc1ccc(CCN2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1OC 245257421 ZLUSDZFWNVWMLV-BBWFWOEESA-N 319.445 2.872 0 50 DFAA O=C(COC1CCNCC1)NC(c1ccccc1)c1ccccc1 261751525 UUTCLXAKDFBNRT-UHFFFAOYSA-N 324.424 2.661 0 50 DFAA Cc1nsc(N2CCN(C(=O)c3occc3C(C)C)CC2)n1 284462872 WTSRTAWEEQNGDK-UHFFFAOYSA-N 320.418 2.525 0 50 DFAA CCO[C@H]1C[C@@]2(NC(=O)N(c3cscc3C)C2=O)C1(C)C 286014091 MOHFTCUEHXGEOF-NHYWBVRUSA-N 308.403 2.687 0 50 DFAA Cc1cc(C)c2c(c1)N(C(=O)C[C@@H]1CCCC(=O)N1)CCC2 289400821 NFJWOSBNCMWWPI-AWEZNQCLSA-N 300.402 2.641 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H](C)c2nc(C3CC3)no2)c1C 299778606 KDZUZOZIATVCBL-SECBINFHSA-N 316.361 2.586 0 50 DFAA CCc1nn(C)cc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 328639870 PTHGZTNSNHAWBX-KRWDZBQOSA-N 313.449 2.922 0 50 DFAA CO[C@@](C)(CNC(=O)c1csc(C(F)(F)F)n1)C1CC1 331600467 CZWMKAUGSLPOAK-NSHDSACASA-N 308.325 2.707 0 50 DFAA O=C(CCc1ccoc1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 339441549 WITJNTBQBPIKNC-JKSUJKDBSA-N 303.333 2.686 0 50 DFAA CN1CCC[C@H](CN(C)C(=O)c2ccc(OCC3CC3)cc2)C1 360073047 CUXKCYSNURHGHD-INIZCTEOSA-N 316.445 2.889 0 50 DFAA COCC[C@H]1CCCCN(C(=O)c2ccc3c(c2)ncn3C)C1 373347480 LXQSALHTQOIRCZ-CQSZACIVSA-N 315.417 2.852 0 50 DFAA COCc1nc(C(=O)N2CCC([C@H]3CCCOC3)CC2)cs1 374855509 OCPBOTPEADJKRK-ZDUSSCGKSA-N 324.446 2.568 0 50 DFAA CC1(C)CCC[C@H]1NC(=O)N=c1cc[nH]cc1Br 408161736 PJYBWCCDIFLCLD-LLVKDONJSA-N 312.211 2.966 0 50 DFAA COCc1nc([C@H]2CCCCN2C(=O)c2oc(C)cc2C)n[nH]1 408473681 AVCDYQNBAGIHFG-GFCCVEGCSA-N 318.377 2.528 0 50 DFAA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cnnc(O)c1 408524098 XNILSLZZOBMVDO-UHFFFAOYSA-N 301.390 2.519 0 50 DFAA CCn1ccc(CNC(=O)C(C)(C)c2ccc(OC)cc2)n1 412477031 SRGPDSFNJNGCMK-UHFFFAOYSA-N 301.390 2.506 0 50 DFAA O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1ncccc1Br 450713768 XOEMQYUERFCGOD-CYZMBNFOSA-N 311.223 2.974 0 50 DFAA C[C@@H](c1nc2c(s1)CCCC2)n1cnc2cccnc2c1=O 584897146 ARYKVAOFZKPEMT-JTQLQIEISA-N 312.398 2.736 0 50 DFAA CC(C)(c1ccc(F)cc1)C1(NC(=O)C[C@@H]2COC(=O)C2)CC1 585087008 GCLOJZHPHMTXKK-LBPRGKRZSA-N 319.376 2.705 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(-c3cc4ccccc4o3)n2CC1 601044492 QGYQAMPQBQZEJB-LLVKDONJSA-N 311.341 2.817 0 50 DFAA Cc1ccoc1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 612433256 VYQBGFFAZOCFGA-QGZVFWFLSA-N 312.413 2.863 0 50 DFAA CCC(CC)n1nccc1C(=O)N1CCC2(CCN(C)CC2)C1 614964533 CGXSRFCPNBASQB-UHFFFAOYSA-N 318.465 2.802 0 50 DFAA COc1ccc(-c2noc([C@@]3(CC(C)C)CCNC3=O)n2)cc1 632008377 PLFQQALXSPTRQJ-QGZVFWFLSA-N 315.373 2.549 0 50 DFAA COc1cc(OC)nc(NCC2(N3CCCCC3)CCCC2)n1 824576920 LYAQWFASWSVZJA-UHFFFAOYSA-N 320.437 2.704 0 50 DFAA CCN(C(=O)C1=CCCC1)c1ccc(N2CCOCC2)cc1 824637384 KPGYHLMYVZBOPD-UHFFFAOYSA-N 300.402 2.986 0 50 DFAA Cc1cc(C)c2[nH]ccc(=NC[C@@H]3CC(=O)N(C4CC4)C3)c2c1 825125122 BLSAJJNCJZQWNV-AWEZNQCLSA-N 309.413 2.696 0 50 DFAA COc1cccc(C2(C(=O)NCC[C@@H]3CCCC[C@@H]3O)CC2)c1 887553394 UMZPKGFIRSXPQO-YOEHRIQHSA-N 317.429 2.784 0 50 DFAA CSc1nc(O)cc(CN[C@@H](C)Cc2ccc(F)cc2)n1 888095895 JWEOQOBWCZBZMN-JTQLQIEISA-N 307.394 2.764 0 50 DFAA CCc1cc(N2C[C@@H]3COC[C@]3(c3ccccc3)C2)nc(C)n1 895383488 JNCAVHSMDXESRB-APWZRJJASA-N 309.413 2.752 0 50 DFAA CN(C)Cc1ccc(-c2noc(C(C)(C)c3cnc[nH]3)n2)cc1 952883911 ZKYYGZLONWSKBL-UHFFFAOYSA-N 311.389 2.847 0 50 DFAA Cc1cc(NC(=O)CSC(C)C)ccc1NC(=O)CN(C)C 952975390 RJBNRJJBOYURAR-UHFFFAOYSA-N 323.462 2.575 0 50 DFAA Cc1nc(CN[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n(C)c1C 952986083 DJRHSGTWBHHJSY-MOKBAEHCSA-N 317.477 2.846 0 50 DFAA CCCN1C[C@H](N=c2cc(C)[nH]c3ccc(F)cc23)CC1=O 1506420372 ARPQALSCJNYZOV-CYBMUJFWSA-N 301.365 2.527 0 50 DFAA CC(C)Sc1nnc(NC(=O)[C@@H](N)C2CCCCC2)s1 1506430758 BZBXINZQIVANBJ-JTQLQIEISA-N 314.480 2.885 0 50 DFAA CC(C)N1CCCC[C@@H]1CCNc1ncc(F)c(N(C)C)n1 1529189994 CQRBVZXYXZENOU-CYBMUJFWSA-N 309.433 2.747 0 50 DFAA COc1cccc(C(=O)Nc2nnc([C@@H](C)OC)s2)c1F 1529195173 GZCSKKLACGOFDL-SSDOTTSWSA-N 311.338 2.646 0 50 DFAA Cc1cc(CNC(=O)[C@@](C)(c2ccccc2)N(C)C)cc(C)n1 1615538001 HJLJNBRBWYQPSI-LJQANCHMSA-N 311.429 2.792 0 50 DFAA CC[C@@H](O)c1ncn(CCOc2ccccc2C(F)(F)F)n1 1875280859 CSTUVEPVLKAKSP-LLVKDONJSA-N 315.295 2.819 0 50 DFAA Cc1ccccc1-n1cc(CN[C@H]2CCc3c(n[nH]c3C)C2)cn1 2325788597 RBWNUKLPQMEBKQ-INIZCTEOSA-N 321.428 2.859 0 50 DFAA Cc1cccc2c1[C@@H](NC(=O)COC[C@H]1CCCO1)CCC2 2325790252 AIGDYQRIENTWEL-CVEARBPZSA-N 303.402 2.684 0 50 DFAA CCOC(=O)c1cnc(SCc2ccc(C)cc2)nc1N 217385 HDWCWBJSJMBPDY-UHFFFAOYSA-N 303.387 2.836 0 50 DFAA Cc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1 2838939 GCPQDKZOEQZQCU-UHFFFAOYSA-N 319.426 2.969 0 50 DFAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 2866508 IEUZOQZAPGWPDV-UHFFFAOYSA-N 321.354 2.533 0 50 DFAA CCCc1cc(=O)oc2cc(OS(C)(=O)=O)c(Cl)cc12 2996499 GIFZZQXBVYDZHP-UHFFFAOYSA-N 316.762 2.737 0 50 DFAA CCCCn1nc(CC(C)C)c2c(N3CCOCC3)ncnc21 2356168986 RJXUZHCKQPWPGV-UHFFFAOYSA-N 317.437 2.662 0 50 DFAA CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(N)=O 4840306 KLSMYUAYWQFVKU-UHFFFAOYSA-N 314.385 2.870 0 50 DFAA CCc1ccc([C@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 6699058 IJJNSTMGJYYGQN-ZDUSSCGKSA-N 302.418 2.685 0 50 DFAA COC(=O)COc1ccc(NC(=O)CCc2ccccc2)cc1 6703348 FTQMPHRBOIQCLA-UHFFFAOYSA-N 313.353 2.810 0 50 DFAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccn1 6709479 BLFNZWADOYAABR-UHFFFAOYSA-N 317.776 2.824 0 50 DFAA C[C@H]1CN(C(=O)c2cccnc2)C[C@H](C)N1C(=O)OC(C)(C)C 112842502 XUUMESOJZJSAQM-STQMWFEESA-N 319.405 2.552 0 50 DFAA O=C1C[C@H](C(=O)N2CCc3sccc3C2)c2ccccc2N1 10924861 JQLBVKMIVDDALH-ZDUSSCGKSA-N 312.394 2.759 0 50 DFAA c1nc(C2CCNCC2)cc(N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)n1 102822325 ZSIJXRRTXJSNJW-IUGPZWINSA-N 312.461 2.959 0 50 DFAA CCCOc1c(Cl)cc(CNCCN(C)C)cc1OC 20406705 LUXUCUHVOWDLPS-UHFFFAOYSA-N 300.830 2.789 0 50 DFAA CCSc1nc(CC(=O)NCCOc2ccccc2)cs1 55242938 LIDIIKNDWZYGRR-UHFFFAOYSA-N 322.455 2.993 0 50 DFAA O=C(CN1CCCCC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 67643467 PYGSGNMKJJWRSS-INIZCTEOSA-N 322.836 2.726 0 50 DFAA CN(C)c1ccc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1 67743749 APATWCNJNWWBJG-UHFFFAOYSA-N 324.428 2.996 0 50 DFAA CC[C@@H](OC)c1nnc(SCC(=O)O)n1-c1ccccc1 65383895 QFLCBMOWKCIYHR-LLVKDONJSA-N 307.375 2.542 0 50 DFAA CC[C@@H](c1ccc(Cl)cc1)N1CCO[C@@H](c2nncn2C)C1 328656694 ZOSIPSUECTYBME-LSDHHAIUSA-N 320.824 2.993 0 50 DFAA CC(=O)Nc1cccc(NC(=O)c2n[nH]c3c2CCCCC3)c1 189753797 XINCYFADCSOTCO-UHFFFAOYSA-N 312.373 2.889 0 50 DFAA CCn1cccc(CNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1=O 434411638 LQEVDOPIVTZGMI-HIFRSBDPSA-N 319.449 2.882 0 50 DFAA COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)CO)c1 363754049 ANMLWIGFPRDZND-PKOBYXMFSA-N 311.381 2.745 0 50 DFAA COCCn1ccnc1CN1CC[C@H](c2ccc(F)cc2)C1 215217785 CXSROKNZOQAZSG-HNNXBMFYSA-N 303.381 2.658 0 50 DFAA Cc1ccc2oc(C(=O)N3CCNC[C@H]3c3cccnc3)cc2c1 261732074 LZONDZQKSSAPSO-INIZCTEOSA-N 321.380 2.923 0 50 DFAA CC(C)c1cc(NCc2csc(N(C)C)n2)n2nccc2n1 72421190 FZPCARZSZZBVCR-UHFFFAOYSA-N 316.434 2.987 0 50 DFAA N[C@@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C1 132529177 SSKXBOLYLQWMBG-MRXNPFEDSA-N 310.397 2.682 0 50 DFAA C[C@H](Cc1cccnc1)NC(=O)CCN1Cc2ccccc2C1 215477912 YJHWQXFKFGFVSP-OAHLLOKOSA-N 309.413 2.535 0 50 DFAA Cc1ccc2cccc(C(=O)N3C[C@@H](C)C[C@H](C(=O)O)C3)c2n1 263104776 BFXXSEARGNFPGG-FZMZJTMJSA-N 312.369 2.726 0 50 DFAA Cc1cc(N[C@@H](C)c2nc(-c3cccnc3)no2)n2nccc2n1 72453970 LJWYCRFQFJPPOX-NSHDSACASA-N 321.344 2.656 0 50 DFAA O[C@@H](c1cc2n(n1)CCCN(Cc1ccoc1)C2)C1CCC1 220492551 RTDKMAHQEUELSR-QGZVFWFLSA-N 301.390 2.716 0 50 DFAA Cc1ccccc1N1CCN(C(=O)c2sccc2C)CC1=O 82125448 KMXVBCQBNFHBRF-UHFFFAOYSA-N 314.410 2.854 0 50 DFAA Cc1c(Br)c(=O)n2c([nH]c3ccccc32)c1C#N 137120307 ZQSXVJPMRHWNLQ-UHFFFAOYSA-N 302.131 2.723 0 50 DFAA CN1CCCN(C(=O)c2cn(C)nc2C2CC2)c2ccccc21 291468252 KDRSBQPGGLYUGG-UHFFFAOYSA-N 310.401 2.784 0 50 DFAA CC(=O)c1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)s1 220550443 UMYNWBIGQFVVGG-UHFFFAOYSA-N 317.414 2.873 0 50 DFAA O=C(CC1=CCCC1)NCc1ccccc1CN1CCCC1=O 426599609 NKPQLVMPNCZLQO-UHFFFAOYSA-N 312.413 2.926 0 50 DFAA Cc1nn(CCNC(=O)CCc2ccc(F)cc2F)c(C)c1C 222534461 GKTATAZXQFBCHO-UHFFFAOYSA-N 321.371 2.836 0 50 DFAA CCc1c(C)nc(N)nc1NCc1csc(CSC)n1 95382849 GNIBXCODKWXVQM-UHFFFAOYSA-N 309.464 2.861 0 50 DFAA C[C@@H](O)c1cccc(N(C)Cc2cnn(-c3ccccc3)c2)n1 96164188 PQMGPUIKRMFAEO-CQSZACIVSA-N 308.385 2.957 0 50 DFAA CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)CC2(Cl)Cl 97463435 CGDUVACRUCVRSO-WRWORJQWSA-N 310.177 2.644 0 50 DFAA CN1CC2(CCC1=O)CCN(CCOc1ccc(F)cc1)CC2 91411691 DMZKZGFDOFCASD-UHFFFAOYSA-N 320.408 2.539 0 50 DFAA CN1CCCC[C@@H]1CCC(=O)N1CC(OCc2ccccc2)C1 95375744 KKEVOPMVKUOGHX-QGZVFWFLSA-N 316.445 2.679 0 50 DFAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)O)cc2)C1(C)C 236967905 MIIDGSVYRCBXCH-KGLIPLIRSA-N 305.374 2.660 0 50 DFAA O=C(CCc1ccncc1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244900222 ZYECGLSGGWDCRN-FHWLQOOXSA-N 324.424 2.513 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)ccc1F 299343608 HUEIBQDESXYGNK-FZQKWOKYSA-N 309.312 2.823 0 50 DFAA CCCn1cc(CN[C@H]2CCCO[C@@H]2c2ccncc2)cn1 299745626 RMJKYYVJXSTRKF-DLBZAZTESA-N 300.406 2.698 0 50 DFAA CNc1nccnc1-c1ccc(C(=O)N[C@H](C)C(F)(F)F)cc1 534655151 USENJYMSXKFGIW-SECBINFHSA-N 324.306 2.866 0 50 DFAA Cc1nn(C)c2nc3c(c(N)c12)C(=O)C[C@@H](c1ccc(F)cc1)C3 618257168 TULJWYLIYQXOQQ-NSHDSACASA-N 324.359 2.911 0 50 DFAA O=C(NCc1ccccn1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299764027 QSUHVDMYMAKVAX-OTWHNJEPSA-N 321.424 2.923 0 50 DFAA Cc1ccc(NCCCNC(=O)Cc2sc(C)nc2C)nc1 827861276 AUXWSICAIVUOEW-UHFFFAOYSA-N 318.446 2.624 0 50 DFAA c1cnc(-n2cccn2)c(CNC2C[C@@H]3CC[C@H](C2)N3C2CC2)c1 903066010 JVAMECPSKDUPCS-ZNXRZULTSA-N 323.444 2.515 0 50 DFAA CNC(=O)C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 670468384 RFMYCWGOMCONBU-LLVKDONJSA-N 318.314 2.803 0 50 DFAA Cc1ocnc1C(=O)NCCN1CCC[C@@H](c2ccccc2)C1 670458287 LCJBZPBZFXFVSO-MRXNPFEDSA-N 313.401 2.592 0 50 DFAA CCCCn1cc(C(=O)N[C@@H](C)c2nccnc2C)c(C)n1 874657212 AHHUECZMCPQCKE-ZDUSSCGKSA-N 301.394 2.581 0 50 DFAA COc1ccc(OC)c(/C=C/C(=O)Nc2nc(C)ccc2O)c1 1875252312 NNSYAXSMBMJERU-WEVVVXLNSA-N 314.341 2.765 0 50 DFAA Cn1cc(C[N@]2C[C@H]2COc2ccc(Cl)c(Cl)c2)cn1 1875378920 KZQIBBANNLTWMU-JEOXALJRSA-N 312.200 2.990 0 50 DFAA CCCNS(=O)(=O)c1cc(Br)c(C)cc1C 1875357934 CAONXYGZYHZISU-UHFFFAOYSA-N 306.225 2.754 0 50 DFAA Cc1noc(COC2CN([C@H](C)CCc3ccccc3F)C2)n1 886097096 NLAKJWHOMPPMBX-GFCCVEGCSA-N 319.380 2.739 0 50 DFAA CCn1nc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1C1CC1 893777475 HGGYNXMJPICFJD-UHFFFAOYSA-N 322.372 2.818 0 50 DFAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)oc1C 1565525194 KVWTUFGBDBTPCX-HOTGVXAUSA-N 307.390 2.767 0 50 DFAA FC(F)(F)c1cc(NCc2cc[nH]n2)nc(-c2cccnc2)n1 169988346 QYPNHBMNURHDGX-UHFFFAOYSA-N 320.278 2.893 0 50 DFAA COC(=O)Cn1ncc(NC(=O)CC2CCCCCC2)c1C 170600600 QSGMCUXJAKVFDK-UHFFFAOYSA-N 307.394 2.664 0 50 DFAA C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccn1 170613067 BCGOPUIBGHLSPU-LBPRGKRZSA-N 310.332 2.897 0 50 DFAA O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 225355023 GKRNLBDCAXEKTB-HHARLNAUSA-N 318.392 2.938 0 50 DFAA Cc1c(CNC(=O)Nc2cc(Cl)c(Cl)cn2)cnn1C 225525365 XGYRKPSAKONXAW-UHFFFAOYSA-N 314.176 2.752 0 50 DFAA c1ccc(CCCN2CCN(CCc3ccncc3)CC2)cc1 585133300 FBALUUITRGIHQT-UHFFFAOYSA-N 309.457 2.875 0 50 DFAA CC(C)c1nc([C@H](CO)NC(=O)c2ccc(O)c(F)c2)cs1 585126573 BZIVEHQLNYFAKC-NSHDSACASA-N 324.377 2.575 0 50 DFAA CCNC(=O)[C@H]1CCN(c2cc(C)c3cc(F)ccc3n2)C1 1506402638 ZPIVMFKSQRHFOB-LBPRGKRZSA-N 301.365 2.645 0 50 DFAA Cc1[nH][nH]c(=NCc2ccc3c(c2)COCC3)c1Br 1857531496 GCMPLDHGKZCPFZ-UHFFFAOYSA-N 322.206 2.587 0 50 DFAA CCOC(=O)[C@@H](Sc1nnc(N(C)C)s1)C(C)(C)C 600525157 HKWXNBOTEPRWBS-MRVPVSSYSA-N 303.453 2.674 0 50 DFAA Cc1cc(C)c2c(CC(=O)N3CC[C@@H]4CNC[C@@H]43)coc2c1C 213401260 GRQKSJXZVNOCBU-ZBFHGGJFSA-N 312.413 2.721 0 50 DFAA CC(=O)N(CCn1ccnc1)Cc1ccccc1Br 339219031 UUNCJJRSCVJRSI-UHFFFAOYSA-N 322.206 2.694 0 50 DFAA COc1ccc(C2(C(=O)Nc3ccncc3)CCOCC2)cc1 5423495 PNMXLZSNZMWDEE-UHFFFAOYSA-N 312.369 2.777 0 50 DFAA CCCCNC(=O)c1nnn(-c2ccccc2OCC)c1C 11690235 YGLGVLPPIOOPID-UHFFFAOYSA-N 302.378 2.504 0 50 DFAA CC1(C)Cc2ccccc2-c2nc(CN3CCCC3)[nH]c(=O)c21 17016788 MSWINDUUBLLOTM-UHFFFAOYSA-N 309.413 2.866 0 50 DFAA O=C(Nc1ccc(F)cc1)N1CCN(c2ccccn2)CC1 18175153 UBNTUCHRKBCPOS-UHFFFAOYSA-N 300.337 2.575 0 50 DFAA CC(C)N1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO 19781551 XJASGSRPOBPEFD-AWEZNQCLSA-N 319.474 2.573 0 50 DFAA Cc1nc(CCN2CCN(C(=O)c3cccs3)CC2)cs1 163406069 CPGSQIDLXCAQRS-UHFFFAOYSA-N 321.471 2.514 0 50 DFAA Cc1cc([C@@H]2CCCN2Cc2ccccc2CC(=O)O)no1 846236366 SBKCGRANFMLKFA-INIZCTEOSA-N 300.358 2.947 0 50 DFAA COc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc1 1056813 XQIFLVAOUNFAAK-INIZCTEOSA-N 310.353 2.748 0 50 DFAA aggregator CCC(CC)(CN)C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 423788343 DFWCXUPKGAORND-OAHLLOKOSA-N 314.433 2.575 0 50 DFAA CC(=O)Nc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 12379671 AHJVZYLHBBRVNJ-UHFFFAOYSA-N 321.336 2.739 0 50 DFAA CC(C)[C@H]1OCC[C@H]1C(=O)NCc1nccn1-c1ccccc1 252478065 ABXWTJBOWOQDCZ-NVXWUHKLSA-N 313.401 2.550 0 50 DFAA Cc1cc(C)c(NC(=O)CN2CCN(C3CCC3)CC2)c(C)c1 265142688 QRLUBYQSGRIWRP-UHFFFAOYSA-N 315.461 2.720 0 50 DFAA CC1(C)C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 164076818 UQDFZYUNZINJSZ-OAHLLOKOSA-N 318.392 2.546 0 50 DFAA CC(=O)N1CCC[C@@H](c2nnc(NC3CCCCC3)o2)[C@H]1C 901414462 FNRHIGOGKBRWAF-BXUZGUMPSA-N 306.410 2.929 0 50 DFAA CC(C)[C@H](NC(=O)Nc1cncc(Cl)c1)C(=O)N1CCCC1 932117617 UPMBZNPTVMWLGL-ZDUSSCGKSA-N 324.812 2.504 0 50 DFAA O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(C(F)F)ncn1 932451686 ZXOUNXBHBUMUGZ-SNVBAGLBSA-N 323.274 2.807 0 50 DFAA Cn1ccnc1[C@@H]1CCN(C(=O)c2ccnc(-c3ccco3)c2)C1 935088708 FTJPDRLLILWKHY-CQSZACIVSA-N 322.368 2.705 0 50 DFAA Cc1ccncc1[C@H](C)NC(=O)c1c(F)ccc2c1OCO2 935209495 FUZNDNMTFIEOPF-JTQLQIEISA-N 302.305 2.749 0 50 DFAA CCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1 69334 LOVUOSXBVPBMOM-UHFFFAOYSA-N 319.415 2.708 0 50 DFAA CC(C)(C)c1cc(C(=O)N[C@@]23CCCCC[C@@H]2NCC3)on1 2325775038 TZPFOHZDUMBVPA-SUMWQHHRSA-N 305.422 2.767 0 50 DFAA O=C(NC[C@H]1C[C@@H]2CC[C@H](C1)N2)c1cncc2ccsc12 2325780333 ZDOAWRALEVKTIE-UOJUARBOSA-N 301.415 2.557 0 50 DFAA Cc1cccc2c1[C@@H](C)C[C@H]2NC[C@H]1C[C@H](S(C)(=O)=O)C1 2325807289 OFQIXGUXRHFRHC-RZLSGREXSA-N 307.459 2.956 0 50 DFAA O=C(Cc1c[nH]c2ncccc12)Nc1ccc2ccnc(O)c2c1 2325864945 GMMTZHIHKGZVCO-UHFFFAOYSA-N 318.336 2.998 0 50 DFAA CC(C)(C)c1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)no1 245289925 GBGQTHYRFVSCJH-ZWKOPEQDSA-N 307.394 2.907 0 50 DFAA CCOC(=O)Cn1nc(C(F)(F)F)c(Br)c1C 27595 RQQFMFUIFOHFDO-UHFFFAOYSA-N 315.089 2.536 0 50 DFAA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)NC(=O)N1 178331 CRDQPJJTWWFHIE-CQSZACIVSA-N 306.337 2.653 0 50 DFAA Cc1cccc(NC(=S)NC(=O)C[C@@H]2CC(C)(C)OC2=O)c1 376793 OWDHSBIMZJZYGA-LLVKDONJSA-N 320.414 2.540 0 50 DFAA COc1ccc(OC)c(NC(=O)CN(C)C2CCCCC2)c1 3348245 RSGHUNQPZXVGSW-UHFFFAOYSA-N 306.406 2.907 0 50 DFAA CC(=O)c1ccc(NC(=O)[C@@H]2CC=C(C)C[C@@H]2C(=O)O)cc1 4713583 ONZVRWITVUPGIP-CABCVRRESA-N 301.342 2.885 0 50 DFAA COc1ccccc1CC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 6741696 HTUJHQHSCJPCEL-LBPRGKRZSA-N 313.353 2.844 0 50 DFAA CC(C)N(C(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CC1 172742938 XZHWDUTUDSGFQP-UHFFFAOYSA-N 314.429 2.938 0 50 DFAA O=C(CSc1nc2ccccc2[nH]1)N[C@@H]1C[C@H]2CC[C@H]1C2 101331616 HCPVRENOBXLPIP-COPLHBTASA-N 301.415 2.960 0 50 DFAA COc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)c1 20400071 SLTYEBSDXTXYBC-SNVBAGLBSA-N 304.371 2.514 0 50 DFAA CN(Cc1nc(Cc2ccccc2Cl)no1)C1CCOCC1 12387051 YEWKKBHXKDHRMS-UHFFFAOYSA-N 321.808 2.925 0 50 DFAA Cc1nnc(SCCCNC(=O)CCC(F)(F)F)s1 55053231 NYOATBPGSLFTAH-UHFFFAOYSA-N 313.370 2.787 0 50 DFAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21843601 FFJJJIZDSXBDGT-DZGCQCFKSA-N 320.408 2.983 0 50 DFAA CC1=CN2C(=O)NC(C(F)(F)F)(C(F)(F)F)N=C2S1 3619195 DLMHMCVBEOEYGV-UHFFFAOYSA-N 305.203 2.797 0 50 DFAA COCCNc1cc(C)nc2c(-c3ccc(F)cc3)cnn12 21798978 OTZARQDWGHIZSG-UHFFFAOYSA-N 300.337 2.902 0 50 DFAA COc1ccccc1[C@H](NC(=O)c1cnnc(C)c1)c1ccco1 348812504 FZCIATXGJNYMQT-KRWDZBQOSA-N 323.352 2.906 0 50 DFAA COc1c(F)ccc(C(=O)N(C)Cc2nc(C3CC3)no2)c1F 67847797 PIEOZFYRTLBDHN-UHFFFAOYSA-N 323.299 2.506 0 50 DFAA Cc1nc(-c2ncccc2C)n(-c2ccc3c(c2)OCCO3)n1 63882603 CFIUWVCJGHUJRI-UHFFFAOYSA-N 308.341 2.717 0 50 DFAA CC(C)(C)c1ccc(CCC(=O)NCCSCC(=O)O)cc1 236744499 UWZCZUIFLMLLIU-UHFFFAOYSA-N 323.458 2.851 0 50 DFAA CCc1nc(C)c(C(=O)N(C)Cc2noc(CC(C)C)n2)s1 65465306 CFBUVHUWEUVYDJ-UHFFFAOYSA-N 322.434 2.868 0 50 DFAA c1cn([C@H]2CCCN(Cc3cnc(C4CCC4)s3)C2)nn1 425351976 OCFVKJOSJSMHRS-ZDUSSCGKSA-N 303.435 2.839 0 50 DFAA C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)C1CCN(C(C)=O)CC1 67673718 VIXYSQDKDLOUJV-QZTJIDSGSA-N 316.445 2.923 0 50 DFAA CC(=O)N1CCN(c2nc(C)nc(C)c2C)CC12CCCCC2 328586856 CORPGMPZPJCSTK-UHFFFAOYSA-N 316.449 2.773 0 50 DFAA C[C@H]1C[C@@H](NC(=O)NCCc2cccc(Cl)c2)CN1C1CC1 154553173 PDUGHXGKEOXHGW-SWLSCSKDSA-N 321.852 2.807 0 50 DFAA Cc1ncoc1C(=O)N1CCC[C@H]1CC(=O)c1cccs1 333295713 GOLBHWNAIHGWLB-NSHDSACASA-N 304.371 2.922 0 50 DFAA COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H]1C(=O)O 237257818 NNDDYOYJSURCQJ-XJKSGUPXSA-N 317.385 2.581 0 50 DFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2ccon2)C1 343732376 BLYVGIVBSANHCL-SNVBAGLBSA-N 314.311 2.807 0 50 DFAA Cc1nnnn1CCCN1CCC[C@H](CCc2ccccc2)C1 72163357 DKSITDPRAPFUML-GOSISDBHSA-N 313.449 2.716 0 50 DFAA Cc1[nH]c2c(C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)cccc2c1C 374030768 HDLVEGISDGMOJR-CYBMUJFWSA-N 323.400 2.923 0 50 DFAA CC[C@](NC(=O)c1scnc1C)(C(=O)O)c1ccccc1 262434752 MYPWHTSAFQJDIG-OAHLLOKOSA-N 304.371 2.571 0 50 DFAA CCOc1ccc(C(=O)NCCCn2ccnc2)cc1Cl 72446919 UDUVQHSJOYDZHF-UHFFFAOYSA-N 307.781 2.755 0 50 DFAA OCCOc1cccc(CN2CCC[C@H]2c2nccs2)c1 215311421 ZGFRFKFOPMLKAC-HNNXBMFYSA-N 304.415 2.851 0 50 DFAA CCOC1(C)CCN(Cc2cnn(C)c2C(F)(F)F)CC1 336848069 HFPYWCLEKZOHLV-UHFFFAOYSA-N 305.344 2.830 0 50 DFAA COC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C 242324458 ZBLQSLWDMWGYKS-GIPNMCIBSA-N 306.406 2.973 0 50 DFAA Cc1c(CN[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cnn1C 131437291 YZRVJEKHEANQNJ-HUUCEWRRSA-N 322.453 2.654 0 50 DFAA CN(C)C(=O)Cc1ccccc1-n1ccnc1-c1cccc(O)c1 77379257 RQJNKDYMEYXFJB-UHFFFAOYSA-N 321.380 2.876 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cccc(N(C)C)c1 216010462 HFWGGXHXVHIPOA-CYBMUJFWSA-N 300.406 2.926 0 50 DFAA COCc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2[nH]1 44903413 SOKXNGUEAGZVAZ-UHFFFAOYSA-N 317.370 2.510 0 50 DFAA C[C@H]1C[C@@H](NCC2CCN(Cc3ccccc3)CC2)CCN1C 178634575 PYJONMFCDLNGBD-PXNSSMCTSA-N 315.505 2.971 0 50 DFAA CC1=CCN(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)CC1 426599026 WNGHQNHWUGJWTJ-GOSISDBHSA-N 313.445 2.838 0 50 DFAA CNc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12 41146743 METCEOLBANAETJ-UHFFFAOYSA-N 319.412 2.998 0 50 DFAA O=C(Cc1cccnc1)N[C@@H](C[C@H]1CCOC1)c1ccccc1 179093931 SJLCXRVROVNWMG-AEFFLSMTSA-N 310.397 2.908 0 50 DFAA C[C@H](O)c1ccc(CNC(=O)[C@H](O)c2ccccc2Cl)cc1 179265941 CJNFHDBEGXAILO-MEDUHNTESA-N 319.788 2.743 0 50 DFAA Cc1cc(NC(=O)NCc2ccc(Cn3cccn3)cc2)ccn1 179830752 WUVAVCWZQJRABR-UHFFFAOYSA-N 321.384 2.957 0 50 DFAA CCC(=O)Nc1cccc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 229819438 XIVCEMANHFOOHI-XJKSGUPXSA-N 317.433 2.590 0 50 DFAA Cc1cc([C@H](C)NCCC(=O)N(C)C)ccc1Br 180355931 XAYZJZDSXRGCPE-NSHDSACASA-N 313.239 2.886 0 50 DFAA C[C@H](c1ccncn1)N(C)C(=O)c1conc1-c1ccccc1 426604230 FIZGQRJUPCIVGR-GFCCVEGCSA-N 308.341 2.965 0 50 DFAA CC[C@H](c1cccnc1)N(C)C(=O)NCc1nc(C(C)C)no1 426526836 GSMJPKHFUDLJIJ-CYBMUJFWSA-N 317.393 2.881 0 50 DFAA C[C@@H]1CN(Cc2ccccc2C(=O)O)CC[C@@]1(O)C1CCC1 91536491 JPADCBLBKAVRPV-ACJLOTCBSA-N 303.402 2.758 0 50 DFAA CCOc1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(C)=O)C2 91756870 KFAXBBIQMLIBNO-DOTOQJQBSA-N 302.418 2.528 0 50 DFAA CC[C@H](Nc1cc(C(C)C)nc(N)n1)c1cn2cccnc2n1 95372664 LMLUHAHQVFTQET-NSHDSACASA-N 311.393 2.788 0 50 DFAA COc1ccccc1N1CC[C@H](CNC(=O)N[C@H](C)C2CC2)C1 296165764 AESRXVHIMOZYDQ-ZIAGYGMSSA-N 317.433 2.619 0 50 DFAA Cc1ccc2nc(CCn3cc([C@@H]4CCOC4)nn3)[nH]c2c1C 92028780 LONMRMYHDIBCED-CYBMUJFWSA-N 311.389 2.518 0 50 DFAA O=C(c1ccnc(-n2cnnc2)c1)N1CCC[C@@H]1c1ccccc1 97173212 HKWJISCCTBLOLQ-MRXNPFEDSA-N 319.368 2.640 0 50 DFAA CCn1nc(C)c(NC(=O)CN2CCC(CSC)CC2)c1C 244795425 RGESWDSZJUYHEY-UHFFFAOYSA-N 324.494 2.533 0 50 DFAA CN1CCc2ccc(NC(=O)c3cccc(-c4ncn[nH]4)c3)cc21 183059118 MSKGPSZWRACKHG-UHFFFAOYSA-N 319.368 2.716 0 50 DFAA Cn1nc(C(F)F)cc1C(=O)NCCCOC1CCCCC1 534635597 HLSUNOXIJICOBC-UHFFFAOYSA-N 315.364 2.827 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)[C@@H]2CCC[C@@H]12 630275877 UYXSZYJZOZQUKI-BFHYXJOUSA-N 309.312 2.680 0 50 DFAA Nc1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)[nH]n1 827545330 HRMWDHADPJHZJJ-ZDUSSCGKSA-N 310.357 2.537 0 50 DFAA CCCn1nc(Cc2cccc(Cl)c2)nc1CCC(=O)NC 823033093 LHNQHPHMUPDWCO-UHFFFAOYSA-N 320.824 2.611 0 50 DFAA Cc1n[nH]c(C)c1CN1CC(O)(c2cccc3ccccc23)C1 848920190 AUZJMHUISIEVGD-UHFFFAOYSA-N 307.397 2.883 0 50 DFAA COc1ccc(Cc2noc(C(C)(C)n3cnc(C)c3)n2)cc1 685943410 MZEFCGJLJOURLD-UHFFFAOYSA-N 312.373 2.957 0 50 DFAA Oc1n[nH]c([C@@H]2[C@@H](C3CC3)CCN2c2ccncc2Cl)n1 1875400090 QLXHNYLDZLSRDC-SKDRFNHKSA-N 305.769 2.536 0 50 DFAA Cc1ccc(NCc2cccnc2O)cc1-c1nnnn1C1CC1 1875284608 BEWPZYOKVNBORI-UHFFFAOYSA-N 322.372 2.696 0 50 DFAA CC(C)Oc1cnc(C(=O)N2CC[C@@H](c3ccccc3)C2)cn1 1875259027 IULISVFCNKFZIX-OAHLLOKOSA-N 311.385 2.894 0 50 DFAA CCc1nc(C)c(C(=O)Nc2c(C)c(C)cc3nc(O)[nH]c23)o1 952967304 LFTPOIBYOVOCCA-UHFFFAOYSA-N 314.345 2.996 0 50 DFAA Cc1cccc(Cl)c1CNCCCN1CCC[C@H](CO)C1 952967906 FFZWTAPZOOWQBN-HNNXBMFYSA-N 310.869 2.832 0 50 DFAA CC1(C)CCC(=CC(=O)NC[C@@H](C(=O)O)C2CCOCC2)CC1 888093664 JVJMEJIIUYFDJL-OAHLLOKOSA-N 323.433 2.757 0 50 DFAA O=C(Nc1ccnc(N2CCCCC2)c1)c1cccn2nccc12 888577424 FEDOHWVUDPNOSQ-UHFFFAOYSA-N 321.384 2.972 0 50 DFAA Cc1c(C(=O)N[C@H](C)CCCC(C)(C)O)nc2ccccn12 1149274141 DSXKUAYOCVNKQF-GFCCVEGCSA-N 303.406 2.702 0 50 DFAA COCc1cc(C2CN(C[C@@H](O)c3ccccc3Cl)C2)no1 1775959446 XJMUFAVBXYKZCP-MRXNPFEDSA-N 322.792 2.607 0 50 DFAA Cc1ccc([C@H](C)NCc2cn(C[C@H]3CCOC3)nn2)cc1C 631056288 MHVOFOZGTGUQJZ-JKSUJKDBSA-N 314.433 2.782 0 50 DFAA OCc1cccc(I)c1Br 81991190 PRQUJNCOMDYCMC-UHFFFAOYSA-N 312.932 2.546 0 50 DFAA in-vitro Cc1noc(C)c1CN1CCC(Oc2ncccc2F)CC1 278356464 QYBZEVNIYZMXRD-UHFFFAOYSA-N 305.353 2.869 0 50 DFAA COc1cc(-c2noc(C[C@H](C)c3c(C)n[nH]c3C)n2)ccn1 170606777 QANUSRXPRZZYGP-VIFPVBQESA-N 313.361 2.826 0 50 DFAA COc1ccc(CCC(=O)N2CCCc3n[nH]cc32)cc1Cl 280211240 WADXNMRNGYZQJB-UHFFFAOYSA-N 319.792 2.984 0 50 DFAA Cc1ccc([C@@H](C)CNC(=O)Cn2nnc3ccccc32)cc1 172463656 SUXJENXGKDHVMN-AWEZNQCLSA-N 308.385 2.660 0 50 DFAA Cc1ccc(CN2CC[C@H](NC(=O)c3cc(C)[nH]c3C)C2)cc1 634456138 WRXOUJRQGKUILF-KRWDZBQOSA-N 311.429 2.944 0 50 DFAA CCC1(CC)CN(Cc2ccc3cn[nH]c3c2)CC[S@@]1=O 187553053 BPBMTRWLNRVGKV-NRFANRHFSA-N 305.447 2.686 0 50 DFAA Cc1nsc(N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 408524266 ZCZAGGFQYAJSFI-LLVKDONJSA-N 312.439 2.586 0 50 DFAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C2CC=CC2)C1 190540245 LXRYZVQRSWVDQJ-CQSZACIVSA-N 319.474 2.698 0 50 DFAA O=C1CCCC[C@@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)N1 193794417 PVBITEGSWPYJTG-LBPRGKRZSA-N 313.357 2.703 0 50 DFAA Cc1ccc(N2CCC(N3[C@H]4CC[C@@H]3C[C@H](O)C4)CC2)cc1 1506428347 PIQZORXDYHUDMR-BWTSREIZSA-N 300.446 2.952 0 50 DFAA COC(=O)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 58379 OWDXJHGXQNRJKT-PTNGSMBKSA-N 307.305 2.818 0 50 DFAA CCc1cc(N[C@@H](C)COc2cccc(F)c2)n2ncnc2n1 139450894 OEYFEYQEJGRCIO-NSHDSACASA-N 315.352 2.705 0 50 DFAA O=C(O)CC1(Cn2cnc3ccccc3c2=O)CCCCC1 1772715893 RBKCLEMYKHJOIF-UHFFFAOYSA-N 300.358 2.822 0 50 DFAA CC1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 11775516 CGCINTWJQUXFDA-IBGZPJMESA-N 322.493 2.652 0 50 DFAA CSCC(=O)N1CCO[C@H](Cc2cccc3ccccc23)C1 12298317 ROOPYFWSEBWJBC-MRXNPFEDSA-N 315.438 2.973 0 50 DFAA Cc1cccc(OCCCSc2nc(N)cc(=O)[nH]2)c1C 16489932 RQAQFQKWSYIEEO-UHFFFAOYSA-N 305.403 2.530 0 50 DFAA Cc1ncc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c(C)n1 19791308 XOVGUDQNKSGURS-GFCCVEGCSA-N 310.279 2.522 0 50 DFAA O=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccccc1F 4498276 BZZCYJLFNYBIEG-MDWZMJQESA-N 302.330 2.980 0 50 DFAA Cc1cccnc1CN1CCN(c2cnc3ccccc3n2)CC1 1857678791 AQRAZWMMKNPAQE-UHFFFAOYSA-N 319.412 2.655 0 50 DFAA CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 57605 ZHKQIADIIYMFOZ-UHFFFAOYSA-N 311.337 2.952 0 50 DFAA biogenic,in-vitro COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl 194927 UPVGHMMSSMAUAA-NSHDSACASA-N 315.156 2.794 0 50 DFAA Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H]2C(F)F)c1C 633230257 LCFTXIZNXJQCKE-CQSZACIVSA-N 305.328 2.969 0 50 DFAA COc1c(Cl)cccc1-c1noc([C@@]2(C)CCN(C)C2=O)n1 904186527 OYZDCJRDEJPHSU-OAHLLOKOSA-N 321.764 2.518 0 50 DFAA Cc1cc(Cc2nc(-c3ncccc3OC(C)C)no2)no1 904105566 AQUAUNOEWDBTEV-UHFFFAOYSA-N 300.318 2.806 0 50 DFAA Cc1cc(Cc2nc([C@@]3(C)COc4ccccc4O3)no2)no1 904130934 RQKWGAGYHOGZNC-MRXNPFEDSA-N 313.313 2.643 0 50 DFAA CN1CCC(C)(CNCc2ccc(C3OCCO3)cc2)CC1 406017115 XZHVXSARUDDYJB-UHFFFAOYSA-N 304.434 2.554 0 50 DFAA Cc1nc2ccccc2cc1Cn1cc([C@@H]2CCN(C)C2)nn1 2325800651 ZZRLDZOGSANCDD-OAHLLOKOSA-N 307.401 2.602 0 50 DFAA CN(C)c1noc(C2CN(Cc3ccc4sccc4c3)C2)n1 2325808756 NHBZXLSWVOSNSE-UHFFFAOYSA-N 314.414 2.950 0 50 DFAA O=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 68403 APDUHUACEWATDP-UHFFFAOYSA-N 301.685 2.839 0 50 DFAA CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2ccccc21 465980 ISGZVFSIUHUHEP-MRXNPFEDSA-N 301.367 2.575 0 50 DFAA Cc1nn(C)c(C)c1NC(=S)Nc1ccc2c(c1)OCO2 611924 WCLYARFXGDZEIY-UHFFFAOYSA-N 304.375 2.575 0 50 DFAA O=C(NCc1ccccc1)c1ccc(NC(=O)[C@H]2CCCO2)cc1 1422633 LLMGZBNYYLIRLS-QGZVFWFLSA-N 324.380 2.734 0 50 DFAA COCCNCCOCCOc1c(C)cccc1C(C)(C)C 3000520 MVXVLBNLEYOROZ-UHFFFAOYSA-N 309.450 2.924 0 50 DFAA C[C@H]1C(=O)N(Cc2ccccc2Cl)Cc2nnc(C3CC3)n21 2356156835 STSNBTFRLCLTEU-JTQLQIEISA-N 316.792 2.912 0 50 DFAA CC(C)Oc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 4842529 JPNPUCAXKQJDLS-UHFFFAOYSA-N 311.341 2.896 0 50 DFAA COCC(=O)Nc1cccc(C(=O)Nc2cccc(OC)c2)c1 55060888 KLDPTZQMDBWGTN-UHFFFAOYSA-N 314.341 2.532 0 50 DFAA CCCN1C(=O)[C@@H](NC(C)=O)c2cccc(C(F)(F)F)c21 101387307 LZOYUYUVFFEYLW-NSHDSACASA-N 300.280 2.639 0 50 DFAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cnn2ccn(C)c12 65376356 AMJMGARPNACPAJ-MRXNPFEDSA-N 308.385 2.959 0 50 DFAA O[C@@H]1CN(C2CCCCC2)CC[C@H]1c1ccc2c(c1)OCO2 67872532 JMVVHTQYVLHRCG-JKSUJKDBSA-N 303.402 2.898 0 50 DFAA C[C@H]1CN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 229778121 MXYRZEWGJXLLQF-BLLLJJGKSA-N 320.408 2.645 0 50 DFAA CC(C)c1nc(CNC(=O)c2ccc(-c3ccoc3)nc2)no1 67675754 KTSIYHLOFOBRLY-UHFFFAOYSA-N 312.329 2.778 0 50 DFAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3nonc3C)C2)cc1C 12317953 ZRNXLCFKHFQCLP-OAHLLOKOSA-N 314.389 2.712 0 50 DFAA Cc1cc(CN2CCN(Cc3ccccc3Cl)CC2)ncn1 428383256 UWCVYRUDCFOPRJ-UHFFFAOYSA-N 316.836 2.756 0 50 DFAA COC[C@@H](C)N1CCC(CO)(Cc2ccccc2Cl)CC1 11814479 CALPXTFPUPXIAK-CQSZACIVSA-N 311.853 2.992 0 50 DFAA c1cn2c(n1)CC[C@@H](CNC1CCN(C3CCCCC3)CC1)C2 328631905 KXRXPVSPFOZWSQ-INIZCTEOSA-N 316.493 2.832 0 50 DFAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1OCCc2ccccc21 152090291 VPKAIGQTIXDFMT-DIFFPNOSSA-N 314.385 2.825 0 50 DFAA Cn1nnc(CN[C@@H]2CCCc3c(Cl)sc(Cl)c32)n1 330260665 OMHICWBFRSNKPI-SSDOTTSWSA-N 318.233 2.746 0 50 DFAA COc1ccc(CN2CCCOc3c(cccc3OC)C2)cn1 215381596 NURZDHAJZFQNID-UHFFFAOYSA-N 314.385 2.884 0 50 DFAA O=C(O)[C@H](CNCc1c(F)cccc1Cl)C1CCOCC1 863740769 ACPDESJEHIPUQC-LLVKDONJSA-N 315.772 2.696 0 50 DFAA Cc1nn(CC(=O)Nc2c(C(F)F)n[nH]c2C)c(C)c1Cl 330624506 RLHKUVBDVJJSEE-UHFFFAOYSA-N 317.727 2.761 0 50 DFAA CCC1=NO[C@H](CNc2nccc(CCC(F)(F)F)n2)C1 71575301 LNSXLVFBQJPUAP-NSHDSACASA-N 302.300 2.938 0 50 DFAA Cc1nn2cc(CNC(=O)c3nc(C(C)C)cs3)nc2s1 215994252 PRGMNXDXZUDQLV-UHFFFAOYSA-N 321.431 2.609 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)nn1 332253548 CQQYMJVOEGQXDD-LBPRGKRZSA-N 302.403 2.570 0 50 DFAA O=C(CCCn1cccn1)NCc1cc(C2CC2)ccc1F 452303694 JMLMYWMGSMPVQR-UHFFFAOYSA-N 301.365 2.996 0 50 DFAA O=C(NCC(F)F)NCC1CCN(Cc2cccs2)CC1 174455175 APUDIJUYEJAWGJ-UHFFFAOYSA-N 317.405 2.524 0 50 DFAA O=C(c1conc1-c1ccccc1)N1CC(c2cccnc2)C1 72160926 ZFLZYSOYIKJUSY-UHFFFAOYSA-N 305.337 2.976 0 50 DFAA Cn1ccc2c(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cccc21 120543354 URWJCGCNIGCCJV-IFXJQAMLSA-N 312.413 2.946 0 50 DFAA biogenic O=C(Nc1cccc2c1OCCO2)N1CCC[C@H]1[C@@H]1CCCO1 375368066 RMXPRBUNFRSUAI-KBPBESRZSA-N 318.373 2.633 0 50 DFAA C[C@H](c1cccc(-c2cc(N(C)C)nc(N)n2)c1)N1CCCC1 215904365 VLZCASFANNVUTH-CYBMUJFWSA-N 311.433 2.949 0 50 DFAA COc1ccc(N(C)C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 607485400 ISPHMULIONDRAZ-HNAYVOBHSA-N 324.380 2.793 0 50 DFAA O=C1CCCc2ccc(NS(=O)(=O)C[C@H]3CCCCO3)cc21 175007869 COEBRGHWUPNIEC-CQSZACIVSA-N 323.414 2.516 0 50 DFAA O=C([C@H]1CCCN1Cc1ccccc1)N1CC(c2ccncc2)C1 72132007 UZTGAIMLVJPPCP-LJQANCHMSA-N 321.424 2.672 0 50 DFAA C[C@H]1CCCN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)C1 175540569 DMSPUFJBZKNPSX-ZDUSSCGKSA-N 321.490 2.712 0 50 DFAA CC(C)c1nsc(NCCN2C(=O)Cc3ccccc32)n1 176902348 VBAQIXGGFKRIAZ-UHFFFAOYSA-N 302.403 2.663 0 50 DFAA CCOc1ccc(NC(=O)C[C@@H]2CCCC(=O)N2)cc1Cl 289009091 ZVUWJEBFIIZGRO-JTQLQIEISA-N 310.781 2.736 0 50 DFAA CON1CCC(CC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 614369660 UTJZJQWRIBCVRR-JKSUJKDBSA-N 322.836 2.976 0 50 DFAA Cc1ccccc1[C@H](C(=O)N(C)CCC1CCOCC1)N(C)C 221218249 ODJRBNKQHUHIJP-GOSISDBHSA-N 318.461 2.873 0 50 DFAA O=c1ccc(C(F)(F)F)nn1Cc1cc(-c2ccccc2)on1 178867479 JXVPNDHFYXEZGT-UHFFFAOYSA-N 321.258 2.965 0 50 DFAA Cc1nccn1[C@@H](C)C(=O)NCC1(COc2ccccc2)CC1 426633973 PNFYATRRXHFIAL-AWEZNQCLSA-N 313.401 2.728 0 50 DFAA Clc1cnc(NCCn2ccnc2)c(Br)c1 162781313 CYXWOBLXGVEJOU-UHFFFAOYSA-N 301.575 2.806 0 50 DFAA Cc1cc(N2CCN(C[C@@H]3CCOC(C)(C)C3)CC2)ccn1 97743155 LEPLFPPLLXOUBG-MRXNPFEDSA-N 303.450 2.717 0 50 DFAA CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cncc(N)c2)cc1 426388005 SGNWUZAADZDOOS-SFHVURJKSA-N 324.428 2.545 0 50 DFAA Cc1cnccc1N1CCCN(Cc2n[nH]c(C)c2Cl)CC1 97601159 SYSKIHBNMHWKBM-UHFFFAOYSA-N 319.840 2.787 0 50 DFAA Cc1nc2c(c(NC[C@H]3CCOC3)n1)Cc1ccccc1OC2 97370256 YXUMVPKBVLTGSG-CYBMUJFWSA-N 311.385 2.717 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCc2[nH]cnc2C1 96167232 VNCWYHBNETXTPO-UHFFFAOYSA-N 308.341 2.572 0 50 DFAA CC(=O)c1cc(CC(=O)N2CCC[C@]3(CCOC3)C2)cs1 91595809 ITWKVEYQVRDCLP-INIZCTEOSA-N 307.415 2.522 0 50 DFAA Cc1ccccc1-c1ncc(CN(C)Cc2cnccn2)cn1 97759176 JMZUNXGLDYCLHJ-UHFFFAOYSA-N 305.385 2.874 0 50 DFAA CC(C)(C)OC(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 91301998 LWJUTDROJPEMKB-UHFFFAOYSA-N 316.401 2.975 0 50 DFAA O=C(O)[C@@H]1CCCN(CCCc2nc(-c3cccs3)no2)C1 299742803 KNTOAPSQTDANCK-LLVKDONJSA-N 321.402 2.527 0 50 DFAA CCO[C@@H](CCNC(=O)N1CCC(=O)[C@@H](C)C1)C1CCCC1 864094111 FZBQRDBQXZKYFM-BBRMVZONSA-N 310.438 2.592 0 50 DFAA COc1ccc(F)c(F)c1C(=O)NCc1nccn1C(C)C 534575288 JVVPPPJKWPJARF-UHFFFAOYSA-N 309.316 2.681 0 50 DFAA Cn1ccc(NC(=O)CN(Cc2ccc3[nH]ccc3c2)C2CC2)n1 299774415 CXTZLUKFJDFHKE-UHFFFAOYSA-N 323.400 2.505 0 50 DFAA CCCCn1nc(Cc2ccc(OC)c(OC)c2)nc1[C@@H](C)O 822888926 ZGVXXEGYVMNLQA-GFCCVEGCSA-N 319.405 2.740 0 50 DFAA C[C@@H](c1nc(-c2cccc3c2ccn3C)n[nH]1)N1CCCC1=O 828264858 JJXJHHHGYIQWOF-NSHDSACASA-N 309.373 2.647 0 50 DFAA COc1ccc2[nH]c(CNS(=O)(=O)CC3CCCC3)cc2c1 670468164 MTRGEODTQBAICG-UHFFFAOYSA-N 322.430 2.786 0 50 DFAA Cn1cc(C[N@@]2C[C@H]2COc2ccc(-c3ccncc3)cc2)cn1 1875384337 FKTGLTXBINZPCU-MBSDFSHPSA-N 320.396 2.745 0 50 DFAA CCO[C@H]1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)C1 885351575 OJICXIYCHNDGJD-LBPRGKRZSA-N 320.414 2.891 0 50 DFAA COC[C@H](O)CN[C@@H](c1ccccc1)c1cccc2[nH]ccc12 888099049 ULHRLVAMAHXDJN-BEFAXECRSA-N 310.397 2.854 0 50 DFAA CN1C(=O)N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)[C@@H]1Cc1ccccc1 1336937592 XYPTUMAURGKRKZ-QAETUUGQSA-N 310.397 2.704 0 50 DFAA Cc1cc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)no1 275909309 JAZMUPKGODBQIV-MRXNPFEDSA-N 300.406 2.932 0 50 DFAA CCO[C@H]1C[C@H](NC(=O)NCc2ncoc2C)C12CCCCC2 170591734 LUPUFTJVWSBVOU-GJZGRUSLSA-N 321.421 2.910 0 50 DFAA CCOc1cnc(-c2nc(-c3ccc4c(c3)CCO4)no2)cn1 186961680 UZBCYTFYVKLMAP-UHFFFAOYSA-N 310.313 2.527 0 50 DFAA CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)C3CC=CC3)[C@H]2C1 585089677 AZHHJNNBXDSHGT-CABCVRRESA-N 320.433 2.811 0 50 DFAA CC[C@H](Nc1cccnc1Cl)C(=O)NCc1cc(C)on1 585122399 ZKEVUWWMHXQFIA-NSHDSACASA-N 308.769 2.538 0 50 DFAA O[C@H](c1ccc(F)cc1)c1nccn1Cc1nccn1C(F)F 189497291 RZYWTJNEZYXFOT-CYBMUJFWSA-N 322.290 2.744 0 50 DFAA Cc1cc(Br)ccc1CN(C)C(=O)c1cn[nH]c1 408514483 IRRQICGFQUKPSG-UHFFFAOYSA-N 308.179 2.753 0 50 DFAA Cc1nscc1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190265987 JRFVKEHJIIIVDQ-ZFWWWQNUSA-N 302.399 2.959 0 50 DFAA C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(-n3cccn3)nc2)[nH]n1 192220350 NCCWVUVZUTWBDN-CMPLNLGQSA-N 323.360 2.758 0 50 DFAA Cc1cc(F)ccc1N1CCC(NCCc2cnc[nH]2)CC1 1506400775 GCSDQXNWPAAKEO-UHFFFAOYSA-N 302.397 2.658 0 50 DFAA Cc1nccn1CC(=O)Nc1ccnn1[C@H](C)c1ccccc1 1529105941 KZINVAUPUQCFHZ-CYBMUJFWSA-N 309.373 2.636 0 50 DFAA O[C@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1Cc1ccncc1 1704300101 UJEAAMVYTJOGQZ-OCCSQVGLSA-N 323.318 2.535 0 50 DFAA CCCCCc1nc(-c2cncc(F)c2)n(-c2ccnn2C)n1 1772804998 FWVGQMSBRCQXNO-UHFFFAOYSA-N 314.368 2.935 0 50 DFAA CC(C)c1ocnc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775982455 LQXOMEROUWTUCW-KRWDZBQOSA-N 314.389 2.641 0 50 DFAA COC(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 5556253 YIRPVEILUUVDNH-UHFFFAOYSA-N 312.325 2.684 0 50 DFAA O=C(NCCc1ccncc1)c1coc(COc2ccccc2)n1 12300322 KDMZTQPAHVTAEX-UHFFFAOYSA-N 323.352 2.621 0 50 DFAA CCSc1nnc(N)n1[C@H](CC)C(=O)Nc1ccccc1C 16648978 VBCCOKPTOSZUMD-GFCCVEGCSA-N 319.434 2.871 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@@H](C=Cc2ccccc2)NC(=O)N1 1857528709 IXHONPOIKWETGP-CQSZACIVSA-N 300.358 2.607 0 50 DFAA CC(C)[C@H](NCc1cncn1C)c1ccc2c(c1)OCCO2 236794193 AXBDGJHPRWWEGX-KRWDZBQOSA-N 301.390 2.678 0 50 DFAA CO[C@@H]1C[C@@H]2C[C@@H](Nc3ccc4c(c3)N(C(N)=O)CC4)C[C@@H]2C1 333385071 BZQGAWRGNZBPBT-WBIXOSHYSA-N 315.417 2.743 0 50 DFAA 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C[C@H](CC(=O)N1CCC(c2ccnn2C)CC1)n1cccc1 606385054 GKNLGENDRLFFST-CQSZACIVSA-N 300.406 2.579 0 50 DFAA O[C@]1(CNCc2csc3ccc(Cl)cc23)CCCNC1 72424611 ULBFBWTWQICVRD-OAHLLOKOSA-N 310.850 2.759 0 50 DFAA Cc1ccc2oc(-c3nccn3CCS(C)(=O)=O)c(C)c2c1 72447878 GIOYYGFUEXJQSE-UHFFFAOYSA-N 318.398 2.958 0 50 DFAA COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)CO)c1 363754040 ANMLWIGFPRDZND-IEBWSBKVSA-N 311.381 2.745 0 50 DFAA O=C(c1cc[nH]c1C1CC1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 285197831 WKZFOLAOKQELHW-GDBMZVCRSA-N 314.360 2.979 0 50 DFAA c1cnn(CC[C@@H]2CCCCN2Cc2nnc(C3CC3)o2)c1 77436659 TYQJMEAZWSECDJ-AWEZNQCLSA-N 301.394 2.588 0 50 DFAA O=C(NC1CCN(c2ccccc2)CC1)c1ccn(C(F)F)n1 218936090 DHQNOWSZSYACCZ-UHFFFAOYSA-N 320.343 2.677 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2C[C@H]2C)c1C 245851075 LTARPXCUFRASJX-ZLDLUXBVSA-N 318.442 2.799 0 50 DFAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[C@H](N)C1 237161440 BHTRAIWDDROFTJ-WBVHZDCISA-N 315.461 2.763 0 50 DFAA O=C(c1ccc2ncsc2c1)N1CCC[C@H]([C@@H]2CCNC2)C1 449193098 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DFAA COc1ccccc1OC[C@H](C)Nc1ncc(C)c(N(C)C)n1 1529120550 AWMBJAMLWKEDDQ-ZDUSSCGKSA-N 316.405 2.739 0 50 DFAA O[C@H]1CCCN(Cc2cnn(CC(F)F)c2)c2ccccc21 1616016648 YTQJVOMWWLLIPL-HNNXBMFYSA-N 307.344 2.982 0 50 DFAA Cc1cnc(N2CCOc3cc(Br)ccc3C2)nc1 1616044013 MSPOMITYENNGNX-UHFFFAOYSA-N 320.190 2.947 0 50 DFAA Cc1ncc(CN(CC(=O)O)Cc2c(C)cccc2Cl)[nH]1 1772710477 AOSMAVOYMUHGAL-UHFFFAOYSA-N 307.781 2.767 0 50 DFAA COc1cccc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1 12381979 WFTZAHFPCOIGBP-OAHLLOKOSA-N 316.357 2.681 0 50 DFAA OC[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 12589031 NBDIFIUVSWJKSI-LLVKDONJSA-N 307.781 2.594 0 50 DFAA CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 12653241 PYLFIQHIDBRCDS-FQEVSTJZSA-N 317.392 2.924 0 50 DFAA biogenic Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 19822954 GLVPLWRRRYYGLH-UHFFFAOYSA-N 308.425 2.882 0 50 DFAA COc1ccccc1Cn1nc(C)nc1-c1cccnc1N(C)C 1857678389 XEPKBSKYDZDEPB-UHFFFAOYSA-N 323.400 2.771 0 50 DFAA CC[C@@]12COC(=O)N1CCN(c1nc3ccccc3s1)C2 1857690268 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Cc1ccc2sc(C(=O)N3CCNC(=O)[C@H]3C(C)C)cc2c1 353866659 JZQBNIQZXLXJMZ-OAHLLOKOSA-N 316.426 2.806 0 50 DFAA CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H]1CC12CCNCC2 368385637 PKHHMQOYMUYYKB-HNNXBMFYSA-N 322.836 2.999 0 50 DFAA Cc1cc(Cl)cc(C)c1CN1CCC(N2CCNC2=O)CC1 156616182 BBXLBDYHGWFKRD-UHFFFAOYSA-N 321.852 2.946 0 50 DFAA COc1ccccc1-c1nc(CN[C@H]2CCNC23CCC3)co1 903471636 LLUOSSZAPIEPKL-INIZCTEOSA-N 313.401 2.724 0 50 DFAA CCCOc1cc(F)ccc1NC(=O)[C@H]1CCCC(=O)N1C 906991053 DIQAVNGZAZXPMQ-CYBMUJFWSA-N 308.353 2.564 0 50 DFAA CC(C)(C)[C@H](NC(=O)N1C[C@H](O)CC2(CCC2)C1)C(F)(F)F 2325769478 HZQFAEQSDIHMLT-MNOVXSKESA-N 322.371 2.910 0 50 DFAA N[C@@H]1CCCN(Cc2ccc(-c3ccc4c(c3)CCCC4)nn2)C1 2325796755 JBDIJQPTQUZEPO-GOSISDBHSA-N 322.456 2.946 0 50 DFAA COc1ccc2ccnc([C@@H](C)NCc3cnc(C)[nH]c3=N)c2c1 2325809716 BJZHKBKCJRZCHX-LLVKDONJSA-N 323.400 2.605 0 50 DFAA CNc1nc(NC(C)(C)C)nc(Oc2ccc(C=O)cc2)n1 472882 JGDKBNIGYNUVJH-UHFFFAOYSA-N 301.350 2.729 0 50 DFAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3ncc[nH]3)C2=O)cc1 2356169718 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Cc1ccc(CN(Cc2ccccn2)[C@H]2CCCNCC2)nc1 328627201 FVIDOGNTRITGSY-IBGZPJMESA-N 310.445 2.929 0 50 DFAA Cc1ccc(F)c(OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 123430485 FNNLHNBORLZPFA-LSDHHAIUSA-N 307.365 2.683 0 50 DFAA Cc1cc2cc(C(=O)OC[C@H]3CCCN3C(N)=O)oc2cc1C 124294932 GCHDBWUFCJCFJU-CYBMUJFWSA-N 316.357 2.750 0 50 DFAA CCn1cnnc1-c1ccc(C(=O)N(C)c2cccc(C)n2)cc1 124491619 MFZTYBIJHYAXFR-UHFFFAOYSA-N 321.384 2.945 0 50 DFAA CCn1cccc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)c1=O 333849107 WWDXYYTWWRXUTF-ZQDZILKHSA-N 313.401 2.544 0 50 DFAA Cc1noc([C@@H]2CCCCN2Cc2ccc(N(C)C)nc2)n1 215731360 BTSGHAKXYLYOFW-AWEZNQCLSA-N 301.394 2.566 0 50 DFAA CC(=O)N1CC[C@H](NCc2ncc(Cl)n2C)c2ccccc21 367261321 YPDBDUNDCHBSNG-ZDUSSCGKSA-N 318.808 2.661 0 50 DFAA CN(CC[C@H](O)c1ccccc1)C(=O)c1cccc2ccnn12 72409489 YLIUNHDMTHNBFI-KRWDZBQOSA-N 309.369 2.530 0 50 DFAA c1cc(-n2cnnc2)ccc1OC[C@@H]1CCCN2CCCC[C@H]12 72428609 NALICXXRARWFFJ-MAUKXSAKSA-N 312.417 2.911 0 50 DFAA Cc1nc(CN(Cc2scnc2C)C[C@@H]2CCNC2)cs1 262075722 DFGFMIKTNXGLQV-CYBMUJFWSA-N 322.503 2.828 0 50 DFAA C[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1nnc(N)s1 71746563 DJSFRENDQCEYIG-ZCFIWIBFSA-N 318.328 2.578 0 50 DFAA COC1(C(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)CCOCC1 285157258 YYLKLUIOJFGYIP-MRXNPFEDSA-N 317.429 2.815 0 50 DFAA O=C(Nc1cnn(-c2ncccc2F)c1)c1cc(C2CC2)no1 374137478 WEJTZVSLAXTVCM-UHFFFAOYSA-N 313.292 2.524 0 50 DFAA Cc1cc(CNC(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)n(C)n1 215727136 WPKMJWAOMKEHPH-SFHVURJKSA-N 315.392 2.852 0 50 DFAA CCNc1nc(C)c(C(=O)N[C@@H]2COc3ccccc3C2)s1 215113326 OBIJNNLAWQJNGL-LBPRGKRZSA-N 317.414 2.617 0 50 DFAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCCC2)c1 72117474 DTYONTMSCHVAAX-INIZCTEOSA-N 304.434 2.673 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)CCc2ccoc2)c1 337522545 WKDZBCGFHSZIJT-RDJZCZTQSA-N 315.369 2.555 0 50 DFAA O=C(NCCc1ccncc1)N[C@H]1COc2cccc(Cl)c21 378121806 XNTFVCYVTCHEMH-ZDUSSCGKSA-N 317.776 2.710 0 50 DFAA Cc1nc(CN2[C@H]3C[C@H]4CC[C@@]3(CS2(=O)=O)C4(C)C)oc1C 179114418 UEKYBHCHDLAIQC-WWGRRREGSA-N 324.446 2.632 0 50 DFAA CSc1cc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)ccn1 177900618 QQKWXSLUUMFMPU-ZFWWWQNUSA-N 308.447 2.985 0 50 DFAA CC(C)n1nc(-c2ccco2)cc1NC(=O)Cc1cncnc1 290940230 TWNQFDGSWBSDTK-UHFFFAOYSA-N 311.345 2.695 0 50 DFAA COc1ccccc1C1CCN(C(=O)[C@H](C)n2cccn2)CC1 426571665 SKXSOSUZUGZOTG-AWEZNQCLSA-N 313.401 2.859 0 50 DFAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1Cc2ccccc2O[C@@H](C)C1 293630182 FEZRQWPQUPPFIS-NWDGAFQWSA-N 313.401 2.940 0 50 DFAA CC(C)N1CCC[C@@H](C(=O)NCCc2nc3ccccc3o2)C1 426410712 NWPJPIDXAMGQQW-CQSZACIVSA-N 315.417 2.607 0 50 DFAA O=C(CN1CCC[C@@H](c2ccccc2)C1)NCCc1ccncc1 95357565 VKWXKTQCOHWDIS-LJQANCHMSA-N 323.440 2.620 0 50 DFAA CCCSCCNC(=O)Nc1cc(-n2cnnc2)ccc1F 96165349 MSJMVVQPXGTCJA-UHFFFAOYSA-N 323.397 2.671 0 50 DFAA CO[C@@H](C(=O)N1CCC2(CCC(O)CC2)CC1)c1ccccc1 295575426 NYJAPXQBPWGESS-QGZVFWFLSA-N 317.429 2.918 0 50 DFAA COCCN(Cc1cccc(OC)c1)C(=O)c1csc(C)n1 96163432 JAGGLDPCJDSLRO-UHFFFAOYSA-N 320.414 2.749 0 50 DFAA CCc1nccn1CCCNC(=O)c1ccc2ccn(C)c2c1 95526231 PTIYJQNTWLFJGJ-UHFFFAOYSA-N 310.401 2.757 0 50 DFAA Cc1csc(NC(=O)NCc2nnc(C(C)(C)C)s2)n1 268170776 GREOIBANBRTRKA-UHFFFAOYSA-N 311.436 2.922 0 50 DFAA CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1COC1 295279951 CWDKSRYASQIRIL-UHFFFAOYSA-N 307.781 2.999 0 50 DFAA Cc1oc(CN(C)C(=O)CC[C@@H]2CC[C@H](C)O2)cc1C(=O)O 268936572 OEVIXZZPWMYGLD-JQWIXIFHSA-N 309.362 2.592 0 50 DFAA CCCCN(Cc1cccnc1)C(=O)Cc1c(C)n[nH]c1C 97654191 FLFXOIGBIINJFJ-UHFFFAOYSA-N 300.406 2.793 0 50 DFAA COc1cc(Cl)ccc1C(=O)N1CC[C@@H](O)CC(C)(C)C1 296745794 AYHDRKIEWCFYLE-GFCCVEGCSA-N 311.809 2.972 0 50 DFAA Cc1nc(CC(=O)N(C)CCc2scnc2C)c(C)s1 252488715 IXKJLHPLXUVDJO-UHFFFAOYSA-N 309.460 2.768 0 50 DFAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)CC1CCNCC1 299739989 UNJFQGGCHQLDJZ-VCBZYWHSSA-N 316.445 2.753 0 50 DFAA COCC1(NC(=O)N(C)CC[C@@H](O)c2ccccc2)CCCC1 534634277 AFRSBYRIMFWZNC-MRXNPFEDSA-N 320.433 2.711 0 50 DFAA Cc1ccnn1CCC(=O)NCC1(COc2ccccc2)CC1 299757396 IZNMJQIWPYHWJJ-UHFFFAOYSA-N 313.401 2.557 0 50 DFAA Cc1occc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 299770985 UANKGSJVGKSDQG-UHFFFAOYSA-N 310.397 2.513 0 50 DFAA CN(C)Cc1ccccc1CN(C)C(=O)CN1CCCCCC1 823712708 BFZBHERYHHXKKO-UHFFFAOYSA-N 317.477 2.583 0 50 DFAA Cc1nc2c([nH]1)CN(C(=O)c1ccccc1N1CCCC1)CC2 584892793 OGCUWZFXLYYPBU-UHFFFAOYSA-N 310.401 2.517 0 50 DFAA CCCCn1cc(C(=O)N[C@H](C)c2nccnc2C)c(C)n1 874657211 AHHUECZMCPQCKE-CYBMUJFWSA-N 301.394 2.581 0 50 DFAA COC(=O)/C=C/CNC(=O)[C@H](OC1CCCC1)c1ccccc1 1875273286 LPKAPUNXBASJFK-SNQZOLJRSA-N 317.385 2.532 0 50 DFAA CC(=O)c1cc(CC(=O)N2CC(c3ccncc3)C2)cs1 952984141 ZYXGAZMTHWRLHT-UHFFFAOYSA-N 300.383 2.514 0 50 DFAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cc(C)sc2C)C1 952970102 BPKAWQWITPTPDD-CYBMUJFWSA-N 317.476 2.945 0 50 DFAA CCSc1ccccc1NC(=O)[C@H]1CCN(CCOC)C1 952872387 NKONPCOKHZAQIS-ZDUSSCGKSA-N 308.447 2.705 0 50 DFAA CCC[C@]1(CO)CCN(Cc2ccc(Cl)cc2C)C[C@H]1O 1529181364 NCDSUUXRLUXZCA-IAGOWNOFSA-N 311.853 2.994 0 50 DFAA CCn1nccc1CN1CC[C@@H](n2c(C)nc3c2CCCC3)C1 275732956 UURNDPBGDZCTRY-MRXNPFEDSA-N 313.449 2.734 0 50 DFAA C[C@@]12CCCN1C(=O)N(CCOc1ccc(Cl)cc1)C2=O 170592422 QBCGBSINDXNVLQ-HNNXBMFYSA-N 308.765 2.536 0 50 DFAA C[C@@H](C(=O)NCC1CCCCC1)N1CCOCC2(CCC2)C1 170595230 BZVPLPMXNUEAIJ-HNNXBMFYSA-N 308.466 2.574 0 50 DFAA C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1c2ccccc2C[C@H]1C 170639666 SHYCBPRQOBAZDO-GWUXDMCLSA-N 324.428 2.666 0 50 DFAA Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]1C(N)=O 633681793 GSQYLZDQARSCPB-CJNGLKHVSA-N 317.433 2.541 0 50 DFAA O=C(c1ccncc1F)N1CCC[C@H]1C[C@@H](O)c1ccccc1 304310334 KFVFZPUIUWIRSF-WMLDXEAASA-N 314.360 2.949 0 50 DFAA CCCCc1ccc(N(C)C(=O)NCC(=O)NCC2CC2)cc1 225526382 BKRMFHCTQOMKOH-UHFFFAOYSA-N 317.433 2.701 0 50 DFAA CCn1ncnc1CNc1ccc(C(=O)NC(C)(C)CC)cc1 225828322 FLOJMBRLUGYZKR-UHFFFAOYSA-N 315.421 2.829 0 50 DFAA Cc1cccc([C@H](C)N2CCC[C@@H](CN3CC[C@H](O)C3)C2)c1 585133561 MFPIZPUQHCDZOF-LNLFQRSKSA-N 302.462 2.835 0 50 DFAA OCCCN1CCC2(CC1)CCN(Cc1ccccc1)CC2 585116200 KYUYNFVYVAFCQR-UHFFFAOYSA-N 302.462 2.747 0 50 DFAA CCOC[C@H]1CCN(Cc2cccn2CC(=O)OC(C)(C)C)C1 585117746 VNLIXKACYUICTH-HNNXBMFYSA-N 322.449 2.688 0 50 DFAA CCc1cnccc1[C@H](C)NC(=O)N1CC[C@@H](n2cccn2)C1 643414844 ZHSNVZNVGHQTQL-DZGCQCFKSA-N 313.405 2.558 0 50 DFAA Fc1ccc(CCN2CCN3CC(F)(F)C[C@H]3C2)cc1F 645937583 MNMJPYSKDVOLRS-LBPRGKRZSA-N 302.315 2.533 0 50 DFAA Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1nc(C)n2ccccc12 759460717 UBIMJKBASYLOQN-HNNXBMFYSA-N 323.400 2.662 0 50 DFAA CCc1nnc(NC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)s1 211059039 PPIQBOFQXLUNKF-DCAQKATOSA-N 304.419 2.824 0 50 DFAA Cc1cnc([C@@H](C)NC(=O)c2cc(Br)cn2C)o1 226613279 WNTKJKGODQMVRJ-MRVPVSSYSA-N 312.167 2.575 0 50 DFAA C1CCC(C(NCc2nnc3n2CCOCC3)C2CCCC2)C1 1614994771 LKADJZIWJORPMZ-UHFFFAOYSA-N 318.465 2.689 0 50 DFAA Cc1cccc(Cl)c1NC(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1615701432 JNVPNWZLCBNQPB-JQWIXIFHSA-N 307.781 2.590 0 50 DFAA CC(C)C(=O)Nc1cc(Cl)ncc1I 1616031892 FYELSRKERRNXBQ-UHFFFAOYSA-N 324.549 2.934 0 50 DFAA O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](C2(O)CC2)C1 1772813527 FRHIEBWAUPJAHS-CQSZACIVSA-N 312.369 2.719 0 50 DFAA COc1ccc(N[C@H]2CCCN(Cc3ccc(CO)o3)C2)cc1 12442973 JCWPCBUWTSHXCQ-HNNXBMFYSA-N 316.401 2.857 0 50 DFAA CC(C)[C@@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)O 206413036 ALNNPXQRJCSIOQ-OAHLLOKOSA-N 322.792 2.910 0 50 DFAA COc1ccc2[nH]c3c(c2c1)CN(Cc1cn(C)c(C)n1)CC3 1857682596 WXRQJLBTEWEQQJ-UHFFFAOYSA-N 310.401 2.777 0 50 DFAA O=C(CN1C[C@H]2CCC[C@@H](C2)C1)NCCc1ccc(F)cc1 511799185 FLSZVRHTRCPIKW-HOTGVXAUSA-N 304.409 2.606 0 50 DFAA C[C@H](O)CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 225392940 RCFVZAQFZFESKX-CABCVRRESA-N 318.461 2.511 0 50 DFAA COc1cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1 5998758 ALFNTRJPGFNJQV-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA endogenous,in-man c1ccc2c(c1)OC[C@H](c1noc(C[C@H]3C[C@H]4CC[C@H]3O4)n1)O2 333846458 OKSUNOYAFJLHKG-RTWAVKEYSA-N 314.341 2.692 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 237951342 CTTNSLCKDHHCSO-ZJUUUORDSA-N 314.168 2.830 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C1 238088939 AEGAXPPGALMSBU-HOCLYGCPSA-N 317.385 2.620 0 50 DFAA Cc1ccc(C[C@@H](C)NC(=O)N2CC[C@H](N3CCCC3)C2)s1 162121088 MESQGDJIJRDHKA-HIFRSBDPSA-N 321.490 2.867 0 50 DFAA C[C@H](N[C@H](C)c1nccn1C)c1ccc(Br)cn1 359080809 KBGNYIHRXOZDGN-VHSXEESVSA-N 309.211 2.989 0 50 DFAA CCCc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1 66873 KSQTWSGKNRZXHB-UHFFFAOYSA-N 323.447 2.628 0 50 DFAA O=C(O)[C@@H]1CN(Cc2cccn3nccc23)C[C@H]1c1ccccc1 2325773374 QKNOJHMAKPUTQY-DLBZAZTESA-N 321.380 2.635 0 50 DFAA C[C@@]1(C(=O)NC[C@H](C(=O)O)c2cc(F)ccc2F)C=CCCC1 2325812944 WWZRGRLDKDGOED-SUMWQHHRSA-N 323.339 2.996 0 50 DFAA Cc1ccc(CNC(=O)c2cnc3ccnn3c2C)c(Cl)c1 2325819337 BDIIVXPHXHENPC-UHFFFAOYSA-N 314.776 2.930 0 50 DFAA C[C@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1 2025303 JYIZIPDLLGKGTA-LBPRGKRZSA-N 316.788 2.834 0 50 DFAA CC(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 68002 DRMQTOGNRQUZKE-UHFFFAOYSA-N 323.396 2.607 0 50 DFAA CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)NC(=O)N1 178981 NLJKGRUBOHZKHG-OAHLLOKOSA-N 318.373 2.666 0 50 DFAA Cc1ccc(S(=O)(=O)CNC(=S)c2ccccc2)cc1 433573 JMKDSSRJTUNUSN-UHFFFAOYSA-N 305.424 2.692 0 50 DFAA O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(F)cc1 620348 KYEORFRICSVDFG-UHFFFAOYSA-N 311.316 2.564 0 50 DFAA O=C(N1CCCCCC1)N1CCN(c2ccc(F)cc2)CC1 1068879 MSCQWHQYZPEPDL-UHFFFAOYSA-N 305.397 2.944 0 50 DFAA CCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1 2837647 LVAXNHDJAUCCHF-UHFFFAOYSA-N 317.393 2.532 0 50 DFAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1CCCCC1 4840946 RDLXFEKKGATSTF-UHFFFAOYSA-N 316.401 2.678 0 50 DFAA COC(=O)CN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 4872268 YQSFOMMRSVDIJV-YRNVUSSQSA-N 323.395 2.618 0 50 DFAA CC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 6726355 UIDUQRFZSDBXLU-JKSUJKDBSA-N 308.466 2.966 0 50 DFAA C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 59740367 SICPVCWKJOFKHT-RBSFLKMASA-N 308.466 2.776 0 50 DFAA CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccccc1F 248082487 CXVSZUFYTHSHQC-BPUTZDHNSA-N 304.409 2.872 0 50 DFAA Cn1c(CN[C@@H]2CCN(c3ccccc3)C2)nc2ccccc21 106475174 QSMUXJHKQIZTAE-OAHLLOKOSA-N 306.413 2.942 0 50 DFAA O=C(Cc1ccc(F)cc1)NCc1cccc(-n2cccn2)c1 20869293 WWHXTSRKGPDYOM-UHFFFAOYSA-N 309.344 2.870 0 50 DFAA CCc1ccc(CN2CCC[C@H](CNC(=O)C3CCC3)C2)nc1 67727133 GSVLLUUKXPFGKP-MRXNPFEDSA-N 315.461 2.772 0 50 DFAA O=C(NCc1cccc(F)c1)c1ccccc1N1CCOCC1 61138824 CAEOJHPJMUMBTA-UHFFFAOYSA-N 314.360 2.592 0 50 DFAA Cc1ccc(C)c(CC(=O)N2CC3(CCNCC3)C[C@H]2C)c1 424226298 RMAAMPZSNRPMHM-MRXNPFEDSA-N 300.446 2.837 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)c1cnc(-c2ccncc2)nc1 67841717 FARXRFUQARJJND-CYBMUJFWSA-N 319.368 2.767 0 50 DFAA Cn1cccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c1=O 173500782 RWERKTHUIDPSDS-OAHLLOKOSA-N 311.385 2.624 0 50 DFAA COCc1cccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 363411102 LPNCFMIQJFANLW-UHFFFAOYSA-N 308.341 2.870 0 50 DFAA Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72422503 OFPHFQDXLIWKRQ-CYBMUJFWSA-N 323.400 2.625 0 50 DFAA COc1ccccc1CC1CCN(C(=O)[C@H]2CCC[C@@H]2N)CC1 237144227 YMHSTHXANKUDGV-IRXDYDNUSA-N 316.445 2.604 0 50 DFAA COC(=O)c1n[nH]cc1CN1CCC[C@@H]1c1ccc(F)cc1 72145540 QULZVMTWMNCOOZ-CQSZACIVSA-N 303.337 2.673 0 50 DFAA Cc1cc(C(=O)NCc2ccsc2)cc(C)c1OCC(=O)O 237747177 RSSJSJIUQMXLEK-UHFFFAOYSA-N 319.382 2.758 0 50 DFAA COC(=O)c1cc(N2CCC[C@@H](c3ccccc3C)C2)ncn1 77408030 GBDCFKXDVNSVDH-CQSZACIVSA-N 311.385 2.956 0 50 DFAA c1nc(CN2CCC[C@H](c3nncn3C3CC3)C2)oc1C1CC1 378434733 LTGOQXPUAKWHGB-ZDUSSCGKSA-N 313.405 2.858 0 50 DFAA C[C@H](c1nnc(O)[nH]1)n1ccnc1-c1cc(-c2ccccc2)no1 71753249 JJUHYSKYPQPUGC-SNVBAGLBSA-N 322.328 2.638 0 50 DFAA CNc1ncccc1C(=O)N1CCO[C@@H](CC2CCCCC2)C1 71761009 MFLXKSKEADKKRT-HNNXBMFYSA-N 317.433 2.935 0 50 DFAA CN(C)c1cc(C(=O)O[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccn1 241897123 TVUIDSIKXUTVNL-FVQBIDKESA-N 316.401 2.652 0 50 DFAA Cc1cc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)nc(N)n1 71736403 LAPCSQQNPFRPIH-OAHLLOKOSA-N 312.417 2.815 0 50 DFAA COc1ccc2[nH]c(C(=O)N(C)[C@H](C)Cc3cnccn3)cc2c1 223686221 FGIJVFMDTHBEKQ-GFCCVEGCSA-N 324.384 2.670 0 50 DFAA C[C@H](NS(=O)(=O)C1CCOCC1)c1c(F)cccc1Cl 177581742 PMEOJGMHLXXSFH-VIFPVBQESA-N 321.801 2.639 0 50 DFAA CCc1ccc(CN2CCCN(C)C3(CCNCC3)C2)s1 426409582 YJFDXGIAFZDZIT-UHFFFAOYSA-N 307.507 2.570 0 50 DFAA COC(=O)C[C@H](C)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 196922390 XZVSCLBFKZVCAY-WDEREUQCSA-N 301.383 2.558 0 50 DFAA CN(CCC1CCOCC1)C(=O)c1c[nH]c(C(F)(F)F)c1 292893758 UMEOWZHWIYVAID-UHFFFAOYSA-N 304.312 2.922 0 50 DFAA Nc1nccc(C2CCN(C(=O)[C@H]3CC34CCCCC4)CC2)n1 426435241 ASYPETLGDJDJFZ-CQSZACIVSA-N 314.433 2.735 0 50 DFAA CN(C[C@H]1COCCO1)C(=O)c1ccc(-c2cccs2)cc1 426429756 HGSUVFNXBIFNQS-HNNXBMFYSA-N 317.410 2.903 0 50 DFAA CCCc1nc(C)c(CN2C[C@@]3(CCOC3)CCC2=O)s1 91694576 ZNXMBUXQALABAG-INIZCTEOSA-N 308.447 2.933 0 50 DFAA CC(=O)c1ccc(N2CCOCC2)c(C[C@H]2CCCCO2)c1 91860425 YEDQFLBFKQDGBQ-QGZVFWFLSA-N 303.402 2.837 0 50 DFAA Cn1ccc(CC(=O)Nc2nnc(CC3CCCCC3)s2)n1 181352726 JMTYKZVLQVQEQE-UHFFFAOYSA-N 319.434 2.576 0 50 DFAA COCCC[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1 91586589 WTRXLFKJZKEYDC-KRWDZBQOSA-N 304.434 2.931 0 50 DFAA COc1cccc2c1OC[C@@H](CNC(=O)CCC(F)(F)F)C2 95378849 GHPYGEVLMVIEEA-SNVBAGLBSA-N 317.307 2.705 0 50 DFAA CSCC(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 95511530 ZFCIQQGQAGEUQP-QGZVFWFLSA-N 321.442 2.950 0 50 DFAA CCc1nc(CNC(=O)N2CCCCC[C@H]2c2ccco2)n[nH]1 297281251 GIOPKEXAHIWEOH-LBPRGKRZSA-N 317.393 2.787 0 50 DFAA CSc1ncc(CNC(=O)C[C@H]2CCc3ccccc32)n1C 91915054 XRVMPKRLUZRTQJ-CYBMUJFWSA-N 315.442 2.878 0 50 DFAA NCc1ccc(-c2nc([C@@H]3CCOC3)nn2-c2ccccc2)cc1 97602205 YSDGSCLVWJUOTI-MRXNPFEDSA-N 320.396 2.897 0 50 DFAA CCN(CC)[C@H]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C1 97578822 ZKVSKZRNVDWGCI-AWEZNQCLSA-N 312.417 2.633 0 50 DFAA Cc1cc([C@@H]2CCCN2C(=O)CCCN2CCCCC2)on1 95355355 FEZJBVPTEPHDBY-HNNXBMFYSA-N 305.422 2.913 0 50 DFAA CCN1CCC(CC(=O)N2CCCC[C@H]2c2nc(C)no2)CC1 95353427 ZFDPXRWIUQMPKI-HNNXBMFYSA-N 320.437 2.554 0 50 DFAA CC(C)=CC[C@]1(CO)CCCN(C(=O)C2CCC(CO)CC2)C1 91548003 IXQLETVXJKXQGB-FAFZWHIHSA-N 323.477 2.743 0 50 DFAA COc1ccc2c(c1)OC[C@H](C(=O)NCC1=CCCCC1)C2 95508554 NCTKWNJINUQPLR-OAHLLOKOSA-N 301.386 2.863 0 50 DFAA c1cc(-c2noc(CN(Cc3nccs3)C3CC3)n2)ccn1 244811708 SJQJUEXZDKZRHU-UHFFFAOYSA-N 313.386 2.753 0 50 DFAA Cc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccco2)on1 252467325 CSZPVVSVAAAJSY-OLZOCXBDSA-N 303.362 2.590 0 50 DFAA CC1(C)CC(CC(=O)NCC2(CO)CCCC2)CC(C)(C)N1 534584167 XEVJFAXOLLQYLB-UHFFFAOYSA-N 310.482 2.602 0 50 DFAA CCCn1cc(CNC(=O)N(CC)Cc2ccc(C)o2)cn1 534647985 ODWGWAHOXXITJE-UHFFFAOYSA-N 304.394 2.926 0 50 DFAA O=C(Nc1cnc2ccccn2c1=O)c1c(F)cccc1Cl 1940196952 HIOZTDKOFWDCAL-UHFFFAOYSA-N 317.707 2.739 0 50 DFAA CCOCCC(=O)N(C)CCc1nc2cc(Cl)ccc2[nH]1 299774680 IRERIYMWDDCYMH-UHFFFAOYSA-N 309.797 2.644 0 50 DFAA O=C(CCN1CCCCCC1=O)N[C@@H]1CCc2ccccc21 828015031 KUKPMVRDAHQCOH-MRXNPFEDSA-N 300.402 2.583 0 50 DFAA COc1ccc(-c2nc(C)nn2CC(F)(F)F)c(OC)c1 670439033 JGUQXSZINQVASO-UHFFFAOYSA-N 301.268 2.833 0 50 DFAA Cc1ccc(-c2cccc(CN3CCN4C(=O)OC[C@H]4C3)c2)o1 670462962 RETFXQQGIGNLMZ-MRXNPFEDSA-N 312.369 2.891 0 50 DFAA C[C@@H](NC(=O)c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(F)cc1 271014564 FGJJEXSKYSNKIE-SJKOYZFVSA-N 316.376 2.744 0 50 DFAA C[C@@H](NC1CCN(c2cccc(Cl)c2)CC1)c1ncnn1C 670448954 JHUNLBYKJPQTRE-GFCCVEGCSA-N 319.840 2.788 0 50 DFAA CC1=CC[C@H](C(=O)N2CCC[C@@H](c3ocnc3C(=O)O)C2)CC1 1875315743 GEOGTDSJWMVWRY-QWHCGFSZSA-N 318.373 2.825 0 50 DFAA Cc1cc(C)n(C[C@H](C)N2CCN(c3ccccc3F)CC2)n1 952989448 MJUYIQQKCFAKCP-INIZCTEOSA-N 316.424 2.850 0 50 DFAA Cc1c(C(=O)N2CCOC[C@]2(C)C2CC2)oc2c1C(=O)CCC2 890581172 JNUYXQCKGDNMCT-GOSISDBHSA-N 317.385 2.748 0 50 DFAA O=C(NC[C@H]1CC12CCOCC2)N(Cc1ccoc1)C1CC1 894321130 DJYYPDGDAUARPG-CQSZACIVSA-N 304.390 2.770 0 50 DFAA COC(=O)c1cnn(-c2ccc(Br)cn2)c1C1CC1 38537323 FJOSEQIDAWCAQV-UHFFFAOYSA-N 322.162 2.694 0 50 DFAA in-vitro Clc1ccccc1N1CCC(N2CC[C@@H]3CNC[C@@H]32)CC1 1565515667 AWCVQQRCYIIDRH-DYVFJYSZSA-N 305.853 2.603 0 50 DFAA Cc1ccc(N(C)C(=O)Cn2cc(-c3ccccc3)c(C)n2)nn1 1435250338 VYSDNYBSELNNAD-UHFFFAOYSA-N 321.384 2.620 0 50 DFAA COc1cc(NC(=O)N2CCc3c(C)cc(C)cc3C2)ncn1 187371115 RLBBNAYPCGFWCY-UHFFFAOYSA-N 312.373 2.692 0 50 DFAA CC(C)CN1CCO[C@H](CNc2nc3cc(F)ccc3o2)C1 172238095 DZUKYPVVDIKFOH-CYBMUJFWSA-N 307.369 2.736 0 50 DFAA O=C(CCc1ccncn1)N[C@H](c1ccccc1)c1cccnc1 191599161 KTNYGYDFBPNPTJ-LJQANCHMSA-N 318.380 2.710 0 50 DFAA C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(CC(=O)O)c1 653644521 RIRWCSPDQZNDPC-CYBMUJFWSA-N 309.365 2.901 0 50 DFAA O=C(CCN1CCC[C@H]1c1ncccn1)Nc1cccc(F)c1 585116275 OKDPWBJOJDRDHZ-HNNXBMFYSA-N 314.364 2.781 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)c1cccn1C1CC1)C1CC1 1506420934 DRBYEFCERASXJN-UHFFFAOYSA-N 312.417 2.978 0 50 DFAA O=C(Nc1cncc(Br)c1O)C1[C@H]2CCCC[C@H]12 129838536 FVODFSDYWKYBKX-YUMQZZPRSA-N 311.179 2.924 0 50 DFAA CCc1ccc(NC(=O)C[C@H]2CNN(c3ccccc3)C2=O)cc1 1740818298 ZKTCZHZPCSIHDL-HNNXBMFYSA-N 323.396 2.745 0 50 DFAA CCOc1ccccc1N1CCN(C(=O)c2ccoc2C)CC1 5928644 VKLSJDQFKKGSHE-UHFFFAOYSA-N 314.385 2.949 0 50 DFAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cc[nH]n3)C2)cc1F 11663914 QAOAIBQZOPDEIR-ZDUSSCGKSA-N 317.364 2.652 0 50 DFAA O=C1CCN(Cc2c[nH]nc2-c2ccccc2)CCN1CC1CC1 12149403 HELLYESSPKXKHU-UHFFFAOYSA-N 324.428 2.521 0 50 DFAA COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 113886729 UFMYRJFDIJRVTN-MRXNPFEDSA-N 315.373 2.794 0 50 DFAA O=C(c1ccc(Cl)c2cccnc12)N1CCC[C@@H](CO)C1 303044488 DOGCVLYXMYSTPO-LLVKDONJSA-N 304.777 2.733 0 50 DFAA CSc1ccccc1[C@@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 252499917 SJADGTLFZCHCKU-FRRDWIJNSA-N 306.431 2.706 0 50 DFAA CCS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 253369662 GLKORGBKYOZXPG-XQLPTFJDSA-N 312.479 2.917 0 50 DFAA CCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC 25425418 LZYZIYPOFBSJPM-ZFWWWQNUSA-N 306.406 2.854 0 50 DFAA in-vitro O=C(O)[C@@H]1CCCCCN1C(=O)c1coc2cc(O)ccc12 907720368 ZRNMUBSDJALGIY-ZDUSSCGKSA-N 303.314 2.608 0 50 DFAA CC(C)Oc1ncc(Cl)cc1NC(=O)[C@H](C(=O)O)C(C)C 911666470 ZPGWAZDENWBEKZ-LLVKDONJSA-N 314.769 2.818 0 50 DFAA CC(C)[C@H](NC(=O)Nc1ccnn1C(C)(C)C)c1cnn(C)c1 930925601 BFEFTGRIYAMVOL-AWEZNQCLSA-N 318.425 2.890 0 50 DFAA Cc1cc(N2CC(Oc3ccc4cccnc4c3)C2)nc(C)n1 2325802669 SLXFIIWBPDGMKV-UHFFFAOYSA-N 306.369 2.909 0 50 DFAA O=C(Nc1ccc2n[nH]cc2c1Cl)c1nccn2nccc12 2325861223 JRGUUPUINGLFGG-UHFFFAOYSA-N 312.720 2.511 0 50 DFAA COc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 187753 PVTSPWQHECKMLA-IRXDYDNUSA-N 322.364 2.865 0 50 DFAA biogenic COc1cc(C=O)ccc1OCOc1ccc(C=O)cc1OC 284071 MVBCDXPZOABQBA-UHFFFAOYSA-N 316.309 2.744 0 50 DFAA CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1CC 433820 PRWMHMFXTAFRLZ-NSHDSACASA-N 311.403 2.913 0 50 DFAA O=C(Nc1nc2ccccc2s1)[C@H]1CC=CC[C@H]1C(=O)O 475375 SIZYDADBBWKEHI-VHSXEESVSA-N 302.355 2.902 0 50 DFAA CCOCCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 2336254 LVHTUQJRKRPWSK-UHFFFAOYSA-N 310.354 2.900 0 50 DFAA CNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl 8723099 MRUBPUBOHPBBFP-UHFFFAOYSA-N 318.760 2.717 0 50 DFAA O=C(CCN1CCCCO1)N1CCCC[C@H]1c1cccnc1 55415040 BTAXBXXTRGHXEH-INIZCTEOSA-N 303.406 2.553 0 50 DFAA CCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21 100512467 YVGJTXCNSBEFAL-UHFFFAOYSA-N 322.364 2.657 0 50 DFAA COCCN1C[C@@H](c2nc(-c3ccc(Cl)cc3)c[nH]2)CC1=O 20878192 OXBQLHKSKRNDNW-LBPRGKRZSA-N 319.792 2.692 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCCN1CCC[C@@H](Cn2cncn2)C1 229478012 JIZRGXDBWPBNNF-ZACQAIPSSA-N 306.454 2.585 0 50 DFAA Cc1ccc(N2CCC(N3[C@H]4CC[C@@H]3[C@@H]3CNC[C@@H]34)CC2)cc1 1506427109 KLBBTAAKKYGRKC-FGYAAKKASA-N 311.473 2.646 0 50 DFAA CCO[C@H](C)c1nc(Cn2ccc3ccn(C)c3c2=O)cs1 120067021 HGNVBYJANJFZKY-LLVKDONJSA-N 317.414 2.942 0 50 DFAA CCN(CC)Cc1nnc2sc(-c3cccc(OC)c3)nn12 61722169 WVFMWPHHGGAZEN-UHFFFAOYSA-N 317.418 2.703 0 50 DFAA O=C(Nc1ccc(F)cn1)N1CCN(C2CCCCC2)CC1 123431278 FKKGODCWPTYDFK-UHFFFAOYSA-N 306.385 2.703 0 50 DFAA Cc1ccccc1[C@@H](C)CC(=O)N1CCC2(CC1)CNC(=O)C2 253432272 XPHDHVZZXFMWPD-HNNXBMFYSA-N 314.429 2.617 0 50 DFAA COc1ccc(-n2ccnc2SCC2(O)CCOCC2)cc1 152827098 CXJRHIDQMHGGFR-UHFFFAOYSA-N 320.414 2.515 0 50 DFAA CSc1ccccc1CN1CCC[C@@H](CS(C)(=O)=O)C1 215989094 XSRUXPZJGKDKMQ-CYBMUJFWSA-N 313.488 2.665 0 50 DFAA Cc1csc(-c2ccc(C(=O)N3CC[C@@H](C(=O)O)C3)cc2)n1 237662697 PFZFOVABUWYOOY-CYBMUJFWSA-N 316.382 2.665 0 50 DFAA COc1ccc(OC)c(-c2cc(F)cc3c2O[C@H](CN)C3)c1 34442690 LWGMIKVAAADCSE-ZDUSSCGKSA-N 303.333 2.772 0 50 DFAA NCC1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 237804853 FAXBFBLYTQDSOB-NWDGAFQWSA-N 310.800 2.780 0 50 DFAA Cc1nc(C(=O)N2Cc3ccccc3C[C@H]2C)ccc1C(=O)O 450529787 APWHLRWQSXANSA-LLVKDONJSA-N 310.353 2.675 0 50 DFAA c1ccc(-c2ncc(CN3CCC4(CCCO4)CC3)cn2)nc1 71775768 ZQERQKGVOJJXFO-UHFFFAOYSA-N 310.401 2.684 0 50 DFAA Cc1ccc(N2C(=O)C[C@H](N[C@H]3CCCC[C@@H]3C)C2=O)cc1 36047205 YZOPMRBEEJYGBQ-BPUTZDHNSA-N 300.402 2.795 0 50 DFAA Cc1cc(C)cc(O[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2O)c1 72117484 QYNDLZFKOMCRBM-OIISXLGYSA-N 305.418 2.833 0 50 DFAA CN(C)C(=O)Cc1ccc(Nc2ccc3c(cnn3C)c2)cc1 1175423667 AHBOBQAGPGXEGD-UHFFFAOYSA-N 308.385 2.948 0 50 DFAA O=C(O)Cc1ccc(NC(=O)CCC2CCOCC2)cc1F 263269958 VVSHNZPUGOUQID-UHFFFAOYSA-N 309.337 2.598 0 50 DFAA CC[C@H]1CN(Cc2n[nH]c3cc(OC)ccc23)CCN1C(C)C 72147957 SYRYJXSPMOEYHU-AWEZNQCLSA-N 316.449 2.876 0 50 DFAA CC(C)(C)c1ccc(C(=O)NCC2(CS(C)(=O)=O)CC2)cc1 177247631 UVXOZZRNKBNJKY-UHFFFAOYSA-N 323.458 2.539 0 50 DFAA COCc1n[nH]c([C@H]2CCCCN2Cc2cccc(F)c2F)n1 289157945 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CCOc1cccc([C@H]2N=C(N)Nc3nc4ccccc4n32)c1 6664172 MMXWODAPXGPOLP-HNNXBMFYSA-N 307.357 2.722 0 50 DFAA C[C@@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccccc1 10474222 FDOWVJBZNLLJDK-CQSZACIVSA-N 308.381 2.784 0 50 DFAA Cc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 10544026 OHEKQWQDALYFDT-HZPDHXFCSA-N 324.490 2.641 0 50 DFAA Cc1nn(C)cc1CN1CCCN(CC2CC2)[C@@H](C(C)C)C1 107032197 QAMRHWNTUGGAFN-GOSISDBHSA-N 304.482 2.671 0 50 DFAA CCn1c(C[C@@H]2C(=O)Nc3ccccc32)nc2ccccc2c1=O 101373729 WCBBWJXRDSFYOP-AWEZNQCLSA-N 319.364 2.695 0 50 DFAA COc1cccc(CN2CCCC[C@H]2CN2CCOCC2)c1F 65388103 WQMFDXGSCOANJR-INIZCTEOSA-N 322.424 2.521 0 50 DFAA O=C(Nc1cccc2ncccc12)[C@H]1CC(c2ccncc2)=NO1 252480150 BWUTZJZERLTQPP-QGZVFWFLSA-N 318.336 2.762 0 50 DFAA COc1cccc2ccn(CCC(=O)Nc3nnc(C)s3)c12 170622229 MFCGXOOXVDTLSH-UHFFFAOYSA-N 316.386 2.839 0 50 DFAA CCc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)cc1 67630438 FSWVEBORIOCCLJ-NSHDSACASA-N 324.380 2.955 0 50 DFAA Cc1c(O)cc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)cc1O 67983431 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Cc1cccnc1CN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 376150979 PLUZYAQLFUQIBQ-MRXNPFEDSA-N 324.428 2.944 0 50 DFAA COc1ccc2c(c1)oc(=O)n2CN1CCc2ccccc2C1 16183416 LKBPQFRXSGAMLX-UHFFFAOYSA-N 310.353 2.619 0 50 DFAA CC(C)C[C@@H](C)n1nccc1NC(=O)NCCC1(O)CCC1 241719936 QQWPESJKKPFRER-CYBMUJFWSA-N 308.426 2.917 0 50 DFAA Cc1cc(C)c(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(C)c2)o1 263203331 YUIAWMNFEXPWAN-CYBMUJFWSA-N 305.305 2.900 0 50 DFAA CCCc1nnc(C(=O)N2CC(Oc3c(C)cccc3C)C2)o1 71753759 KOYZRUBYQJPCQM-UHFFFAOYSA-N 315.373 2.542 0 50 DFAA COc1cc2c(cc1CNC(=O)c1cnn(C(C)C)c1)CCC2 77519987 ZEAVYWWQKDBNOE-UHFFFAOYSA-N 313.401 2.891 0 50 DFAA CCN1CCC[C@H]1CNC(=O)c1cccc(CCC(C)(C)O)c1 72478459 JHJWOMQWJAHXNL-KRWDZBQOSA-N 318.461 2.604 0 50 DFAA CC(=O)c1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)ccc1C 263422083 LIZNRVWGYFHZKA-AWEZNQCLSA-N 317.385 2.915 0 50 DFAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)C=C1CCC(C)(C)CC1 286491512 SZDOAALWIGHXFN-YOEHRIQHSA-N 317.433 2.893 0 50 DFAA Cc1cc(C)c(C(=O)Nc2ccc3nc(S)oc3c2)c(=O)[nH]1 160760312 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DFAA CNCC[C@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 12217767 LZQDFWJPWKJXAZ-GFCCVEGCSA-N 316.323 2.686 0 50 DFAA Cc1ccc(-c2noc(COc3ccccc3C(N)=O)n2)cc1 15671109 WLDDPCTXYQYCLL-UHFFFAOYSA-N 309.325 2.723 0 50 DFAA Cc1noc(C)c1CCCNC(=O)c1nc2ccccn2c1C 1857670545 TYJHBTAIOUDBSO-UHFFFAOYSA-N 312.373 2.610 0 50 DFAA C[C@H](c1ccccc1)c1nccn1CC1(CO)CCOCC1 1857693108 IMBSMKBJOXGRLK-OAHLLOKOSA-N 300.402 2.824 0 50 DFAA Cc1nscc1C(=O)N1CC[C@@H](C(=O)O)c2ccccc21 669434060 HGPPZCDFLDUEBQ-LLVKDONJSA-N 302.355 2.670 0 50 DFAA COCCCOC1CN(c2nc(C)nc3scc(C)c23)C1 126790978 LRBCZXLEKFZSTK-UHFFFAOYSA-N 307.419 2.550 0 50 DFAA CO[C@@H](C(=O)N1CCC(n2cncc2C)CC1)c1ccccc1 364367488 CXMXYJVCBLRQLT-QGZVFWFLSA-N 313.401 2.743 0 50 DFAA Cc1csc(-c2noc([C@@H]3NCCOc4ccccc43)n2)n1 904603500 HGKPULQIBCCLLN-GFCCVEGCSA-N 314.370 2.573 0 50 DFAA CN1C[C@H]2COC[C@@H]1CN(c1ccnc3ccc(Cl)cc13)C2 1704306606 VRMDPRBDSUXQKS-OCCSQVGLSA-N 317.820 2.655 0 50 DFAA CC1=C(C(=O)N2CC[C@@H](O)[C@H]2c2cccc(F)c2)CCCO1 2325798620 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O=C(O)[C@H]1CCCCN1C(=O)Cc1cccc(C(F)(F)F)c1 238043307 VPCGKHUXYYJFHJ-GFCCVEGCSA-N 315.291 2.714 0 50 DFAA COCCN(CC1CC1)C(=O)c1ccc([C@H]2CCCNC2)cc1 95354536 WWWCGIXRIJTZJX-SFHVURJKSA-N 316.445 2.652 0 50 DFAA Nc1nccc(C2CCN(c3ncnc4cc(F)ccc34)CC2)n1 95389431 BRTAJDZLXBCALJ-UHFFFAOYSA-N 324.363 2.525 0 50 DFAA Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cs1 332131251 NLVOYVJAVAWYHI-VIFPVBQESA-N 304.371 2.714 0 50 DFAA Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCCCCN1C 91988279 OOLZKOMBVFRIJK-GOSISDBHSA-N 313.445 2.940 0 50 DFAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 237645601 IDEAASKEHUAKSB-RDTXWAMCSA-N 301.386 2.820 0 50 DFAA CN1CCCC[C@@H]1CCc1ncnn1-c1ccc(F)cc1F 91417029 WRNUPVWLUOWZBV-CYBMUJFWSA-N 306.360 2.962 0 50 DFAA CCCn1cc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)c(C)n1 91562937 JGZYDZUBJAKZJX-OAHLLOKOSA-N 318.421 2.536 0 50 DFAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1ccsc1)C2 95363783 IRZHOOLRVGRQPG-NVXWUHKLSA-N 301.411 2.719 0 50 DFAA CCOc1ncccc1CNc1nc2c(s1)c(C)nn2C 96136119 KUANOXGMRPMFBC-UHFFFAOYSA-N 303.391 2.744 0 50 DFAA Cn1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)n2)n1 634667729 XKFHUIXGPUTAJS-VXGBXAGGSA-N 324.340 2.512 0 50 DFAA COc1ccc(-n2cccn2)c(CN(C)Cc2cscn2)c1 824629382 NURIKSWWTRAISA-UHFFFAOYSA-N 314.414 2.969 0 50 DFAA OCCn1nc(Cc2cccnc2)nc1[C@@H]1C[C@H]1c1ccccc1 828778235 ANCQAYJEIYVMFA-DLBZAZTESA-N 320.396 2.527 0 50 DFAA CN1CCCC[C@@H]1CNC1CCN(c2ccc(F)cc2)CC1 584888322 ARAKIDSLJYOHQT-GOSISDBHSA-N 305.441 2.868 0 50 DFAA CCN(Cc1ccc(SC)cc1)C(=O)NCC[C@H](C)CO 670464767 IXHUVJJTNIZTAA-ZDUSSCGKSA-N 310.463 2.959 0 50 DFAA O=C([C@@H]1CCc2ccccc2O1)N1CCCC[C@@H]1c1cncnc1 1875312687 PWHWDLPXGFUOEC-AEFFLSMTSA-N 323.396 2.924 0 50 DFAA c1ccc(CN2CCC[C@H]3CN(CCn4ccnc4)CC[C@H]32)cc1 245791771 XKMMBROULDIIDK-VQTJNVASSA-N 324.472 2.870 0 50 DFAA CCCN(c1nc2c(s1)c(C)nn2C)[C@H]1CCCC[C@@H]1O 1565508844 BLPZZLZBHSBPIZ-RYUDHWBXSA-N 308.451 2.858 0 50 DFAA FC(F)(F)c1cnc(N2CCC(Cn3ccnn3)CC2)s1 276695258 HPYSEYMSJCGTQB-UHFFFAOYSA-N 317.340 2.670 0 50 DFAA COC(=O)C[C@@H]1CCCN1C(=O)c1ccccc1-c1ccncc1 585129740 UNQSATTTZXUSHL-HNNXBMFYSA-N 324.380 2.916 0 50 DFAA Cc1cnc2c(c1)N(C(=O)Cn1nc(C(F)(F)F)cc1C)CC2 585122558 ZOYBMVWIKNHCOM-UHFFFAOYSA-N 324.306 2.503 0 50 DFAA O[C@H](CN1CCC(Oc2ncccc2F)CC1)c1ccccc1 278356604 RAIRJUYGYZKAIG-QGZVFWFLSA-N 316.376 2.798 0 50 DFAA FC(F)(F)c1cnc([C@@H]2CCCN(Cc3cncnc3)C2)[nH]1 278819499 ZGHKVLPJYCIQGM-LLVKDONJSA-N 311.311 2.598 0 50 DFAA CC[C@@H]1C[C@H]1NC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 170627012 MDCSCDFTVJCYDX-FVQBIDKESA-N 302.418 2.664 0 50 DFAA CC[C@H](CSc1ccccc1)NC(=O)N1C[C@@H](C)[C@H](CO)C1 189659035 WRKQEUYVIAYXDD-QLFBSQMISA-N 322.474 2.827 0 50 DFAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)sc1C 408505300 WNMPPUSBNRRTCR-IJLUTSLNSA-N 313.444 2.606 0 50 DFAA C[C@@H](NC[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccncc1Cl 643349205 RWUYTBWZWUCWGK-BFQNTYOBSA-N 320.824 2.897 0 50 DFAA CC[C@@H](C(=O)O)N1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 191437085 NAJZZPMUBGBHRF-WFASDCNBSA-N 310.825 2.882 0 50 DFAA Cc1cnc(NC(=O)[C@@H]2CCCO[C@@H]2C)c(Br)c1 191934175 QUSJUHWVMVFWFG-NXEZZACHSA-N 313.195 2.906 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCC2(CCN(C)CC2)C1 647723439 FFDBXSSRTXMCEN-UHFFFAOYSA-N 318.465 2.504 0 50 DFAA CC(C)n1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)n1 653330573 HFXDLGSAEVGHKA-HIFRSBDPSA-N 313.357 2.507 0 50 DFAA COc1cc(F)ccc1N1CCN(Cc2nc(C)oc2C)CC1 659931680 SRHHSVJHQAJDHJ-UHFFFAOYSA-N 319.380 2.761 0 50 DFAA Cc1cc(CS(=O)(=O)N(Cc2ccco2)C2CCCC2)on1 674052062 OOZBUTQOCXBFGP-UHFFFAOYSA-N 324.402 2.851 0 50 DFAA CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 213171506 HPGMRYGMNSGNHC-ROUUACIJSA-N 316.445 2.536 0 50 DFAA Cc1cnc(NC[C@@H](c2sccc2C)N(C)C)nc1N(C)C 1529152471 TWRPUFCZLWAZED-ZDUSSCGKSA-N 319.478 2.936 0 50 DFAA O=C1CCCC[C@H](C(=O)Nc2cscc2Br)N1 408522666 LIWNMSYHYSRNKH-MRVPVSSYSA-N 317.208 2.508 0 50 DFAA C[C@@H]1CN(Cc2cncn2C)c2ccc(Br)cc2O1 1616044327 HLYNGFLUSGRVAT-SNVBAGLBSA-N 322.206 2.970 0 50 DFAA CC[C@H](Oc1ccccc1C)c1nnc([C@@H]2CC(=O)N(C)C2)o1 1616025812 XQYPFUAMSLSPNK-OLZOCXBDSA-N 315.373 2.854 0 50 DFAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1ccc(-c2ccccn2)cc1 1772705390 MMQOZOYVCBZWKN-YJBOKZPZSA-N 321.424 2.944 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)Nc2ncccc2C)c1 12420534 CGXCMBPZJMTHNE-UHFFFAOYSA-N 306.387 2.762 0 50 DFAA CN1CCC[C@@]2(CCN(Cc3cccc4ncccc34)C2)C1=O 12430930 CUOBIGQLENYZMK-IBGZPJMESA-N 309.413 2.679 0 50 DFAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN(C)C 13322975 GQYMVRPPNFZUGK-UHFFFAOYSA-N 318.398 2.702 0 50 DFAA Clc1ccccc1CNCc1cccnc1N1CCOCC1 14976532 DBKXOGBZCWWDFP-UHFFFAOYSA-N 317.820 2.861 0 50 DFAA O=C1CCN(C(=O)c2cc3ccccc3o2)CCN1CC1CC1 14997264 WKBGZFGBHJTNJS-UHFFFAOYSA-N 312.369 2.517 0 50 DFAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCc1ccncn1 19811457 UCVFFPOGTSPSBB-UHFFFAOYSA-N 317.458 2.795 0 50 DFAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cc[nH]c1)CC2 1857671430 RWSBLQAXRLPUHH-UHFFFAOYSA-N 320.396 2.656 0 50 DFAA COC[C@@H]1CCCCN(C(=O)Cc2cc(F)ccc2OC)C1 363711974 INRSOTCMTMRMGD-CYBMUJFWSA-N 309.381 2.652 0 50 DFAA O=C1C[C@H](c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)CN1 1875243295 ZRSRAYVGJBVLHU-KRWDZBQOSA-N 318.380 2.597 0 50 DFAA COc1ccc(CNC(=O)[C@@H]2CCC[C@H](C)C2)cc1C(=O)O 237297725 AJACRCFPSJLABV-WCQYABFASA-N 305.374 2.836 0 50 DFAA O[C@@H](CCc1ccccc1)CNc1ncncc1Br 240707735 HQFCQJHOYBPYMM-LBPRGKRZSA-N 322.206 2.645 0 50 DFAA CCC1(O)CN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C1 656567788 GSTAMFIETKGPBW-UHFFFAOYSA-N 320.780 2.514 0 50 DFAA CCn1cc(C(=O)NCC2CCN(c3ccccc3)CC2)cn1 366748450 NEPCIQIFIHNEKR-UHFFFAOYSA-N 312.417 2.549 0 50 DFAA Cc1cc(C)n(-c2ccccc2NC(=O)CC[C@H]2CCNC2)n1 261779623 BDCDYXPXEMSFFS-HNNXBMFYSA-N 312.417 2.817 0 50 DFAA CC(C)[C@H]1CCO[C@H]1C(=O)NCc1cccc(-c2ncc[nH]2)c1 585083074 BVZBJTUSLZAYAF-HZPDHXFCSA-N 313.401 2.754 0 50 DFAA C[C@@H](NC(=O)N1CCN2CCCC[C@H]2C1)c1c(F)cccc1F 264330618 WKSDGJOJAYDMLD-OLZOCXBDSA-N 323.387 2.906 0 50 DFAA O=C(NCc1cc(F)ccc1F)c1cc(-c2ccoc2)[nH]n1 591308690 ZIAMXVHPOGGBFF-UHFFFAOYSA-N 303.268 2.878 0 50 DFAA O=C(O)[C@H]1c2ccccc2OCCN1Cc1ncc(C2CC2)o1 903931023 MTOOPNIZFJSHSD-MRXNPFEDSA-N 314.341 2.572 0 50 DFAA C=CC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 1120459830 NTJWWMRVDMXFBF-UHFFFAOYSA-N 300.337 2.935 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CC(Oc3ccccc3)C2)c1 1443398327 MLODEIAZWBJVAG-UHFFFAOYSA-N 322.364 2.715 0 50 DFAA Cc1cc(C)n2nc(SCc3nc4ccccc4[nH]3)nc2n1 108019 CZXLOYVISAFDST-UHFFFAOYSA-N 310.386 2.910 0 50 DFAA CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 443214 BEEMOEYYUQMTBR-UHFFFAOYSA-N 307.371 2.895 0 50 DFAA C[C@@H]1OCCN(C(=O)c2coc3c2CCCC3)[C@@H]1C(F)(F)F 2325767740 OPECIPUSEYZESD-ZANVPECISA-N 317.307 2.950 0 50 DFAA OC[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H]1C1CCOCC1 2325789075 KBNJZPVEXKBJIR-ROUUACIJSA-N 314.429 2.635 0 50 DFAA CC(C)n1ncc2cc(NC(=O)Cc3ccnc(CN)c3)ccc21 2325801338 CKCFSOGMQDWJIV-UHFFFAOYSA-N 323.400 2.652 0 50 DFAA Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 38409 LVZIWVBBYSSGRR-UHFFFAOYSA-N 318.398 2.790 0 50 DFAA CCOC(=O)n1c(=O)sc2cc(Br)ccc21 39982 WGHSBITZWYYFFB-UHFFFAOYSA-N 302.149 2.830 0 50 DFAA Cc1cccc(C)c1OCC(=O)NCCc1nc2ccccc2[nH]1 118056 NFASPNPYMDEAHF-UHFFFAOYSA-N 323.396 2.917 0 50 DFAA O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(O)cc12 290473 QXPSOWPOHSZKEK-UHFFFAOYSA-N 306.321 2.712 0 50 DFAA biogenic CCOC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 436219 GGFPFBNRESJPTF-GFCCVEGCSA-N 302.252 2.504 0 50 DFAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 1167476 IPDBSUZSHWFZDN-FJJYHAOUSA-N 324.163 2.826 0 50 DFAA Cc1cc(NCCN(C)C)n2nc(C)c(-c3ccccc3)c2n1 2193924 WERQTMMVUGLYEW-UHFFFAOYSA-N 309.417 2.987 0 50 DFAA CCOC(=O)CC(=O)CSc1nc(C)c2ccc(C)cc2n1 2289347 JIYDEMGNMPRTHD-UHFFFAOYSA-N 318.398 2.861 0 50 DFAA CCCN1Cc2nnc(-c3cccc(Cl)c3)n2[C@@H](C)C1=O 2356153744 SSZZUYKINIPTMK-JTQLQIEISA-N 304.781 2.912 0 50 DFAA O=C(c1cc(-c2ccco2)on1)N1CCN(c2ccccc2)CC1 3908373 XLQWPNMDRBECHV-UHFFFAOYSA-N 323.352 2.897 0 50 DFAA COc1ccc2[nH]nc(NC(=O)Cc3ccccc3OC)c2c1 344751134 VRJRAPSWJPSKQQ-UHFFFAOYSA-N 311.341 2.761 0 50 DFAA CCOc1ccc(NC(=O)C(=O)NC2CCC(C)CC2)cc1 4839573 RRWWRWDIAFMJBD-UHFFFAOYSA-N 304.390 2.719 0 50 DFAA c1ccc(OCc2nnc3sc(-c4ccncc4)nn23)cc1 4857406 NVSLXRAUTXNQHM-UHFFFAOYSA-N 309.354 2.827 0 50 DFAA CCC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 4857543 VHNYFVZEFDTVPA-CYBMUJFWSA-N 304.390 2.534 0 50 DFAA Cn1ccc(-c2noc([C@@H](c3ccccc3)C3CC3)n2)cc1=O 351254893 CWAGTURTZHGCPR-INIZCTEOSA-N 307.353 2.977 0 50 DFAA Cc1nc(N2CCOC[C@@H]2Cc2ccccc2)c2nc(C)oc2n1 63857271 XMLBMGGGIQALMI-HNNXBMFYSA-N 324.384 2.683 0 50 DFAA COc1ccc(F)c(-c2nc(Cn3cnc(C)n3)c(C)o2)c1 67841026 MQYAHNNNQPAWBH-UHFFFAOYSA-N 302.309 2.746 0 50 DFAA CCc1ocnc1C(=O)N(C)CCc1nc2c(C)cccc2[nH]1 67714394 FWBVYDGCGMKYBI-UHFFFAOYSA-N 312.373 2.736 0 50 DFAA C[C@H](CS(=O)(=O)N1CCc2cnccc21)c1ccccc1 151678738 ZOHCHINKDXVJML-CYBMUJFWSA-N 302.399 2.578 0 50 DFAA Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1OCCc2ccccc21 152090425 VPKAIGQTIXDFMT-PIGZYNQJSA-N 314.385 2.825 0 50 DFAA O=Cc1c(Cl)c(I)nc2[nH]ccc12 66054293 BTGXUNBNODWXNY-UHFFFAOYSA-N 306.490 2.633 0 50 DFAA CN(C/C=C/c1ccccc1)c1nccc(N2CCC(O)CC2)n1 65488401 JNOOVYMEPNVYGH-VMPITWQZSA-N 324.428 2.587 0 50 DFAA O=C(c1ccc(-c2nnc(S)o2)cc1)N1C[C@H]2CC[C@H]1C2 123603480 LNMFDILFVIRXEZ-CABZTGNLSA-N 301.371 2.650 0 50 DFAA CC(C)(C)C1=Nc2c(c3c(c4cc(F)ccc24)C(=O)N=CC=3)=N1 38665600 AGPVXQHWCUGWNS-UHFFFAOYSA-N 307.328 2.693 0 50 DFAA Cc1cc(C)c2c(CC(=O)N3CC[C@H]4CNC[C@H]43)coc2c1C 77425799 GRQKSJXZVNOCBU-GOEBONIOSA-N 312.413 2.721 0 50 DFAA CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(-c2nnc(S)o2)cc1 127509251 POWYAEJLOFXWNA-NEPJUHHUSA-N 303.387 2.944 0 50 DFAA COC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCOCC1 154843108 UOCNWQZXNORHRF-NEPJUHHUSA-N 323.355 2.667 0 50 DFAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 367391825 ILSFDJYASXKFFH-APPDUMDISA-N 307.353 2.744 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 128592868 NIIUFRAOAAKVMG-MISXGVKJSA-N 309.312 2.534 0 50 DFAA CN[C@H](C)CNC(=O)COc1ccc(Cl)c2ccccc12 261873268 ZYEMRHOTUILNQJ-LLVKDONJSA-N 306.793 2.596 0 50 DFAA Cc1cccnc1C(=O)N1CCNC[C@H]1c1cccc(Cl)c1 262113235 VUNPPGZFSORKPT-HNNXBMFYSA-N 315.804 2.830 0 50 DFAA COc1cccc([C@@H]2CCN(C(=O)CCSC)C2)c1OC 219233923 RFEYJOAQCHBFGN-GFCCVEGCSA-N 309.431 2.773 0 50 DFAA CCOc1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 13784723 BMYQVWZEIWXQKL-UHFFFAOYSA-N 322.430 2.621 0 50 DFAA COC1(c2ccccc2)CN(C(=O)Nc2cncc(F)c2)C1 376591893 GJWBCOXZCMVNLN-UHFFFAOYSA-N 301.321 2.610 0 50 DFAA Cc1ccccc1-c1noc(-c2ccc(N[C@H](C)CO)nc2)n1 72428991 IVXLBNGFYHCNFI-GFCCVEGCSA-N 310.357 2.900 0 50 DFAA COc1c(C)cnc(CN2CCCC[C@H]2CCNC(C)=O)c1C 72141744 JESQOPZJYBWVMY-INIZCTEOSA-N 319.449 2.588 0 50 DFAA O=C(CCn1cnc2ccccc21)N1CCC[C@H](c2ncc[nH]2)C1 75554219 KXZAZEKCJAAEFQ-AWEZNQCLSA-N 323.400 2.556 0 50 DFAA CNC[C@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 178968871 OKYAZZBGRSTUFW-CQSZACIVSA-N 311.385 2.555 0 50 DFAA CN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@@H]1CCNC1 179080094 SKQVLQZZTLKVBN-CYBMUJFWSA-N 316.376 2.839 0 50 DFAA CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](CNC)C1 178983765 RJATYYXGALODIX-DMGQIGSTSA-N 316.445 2.945 0 50 DFAA Cc1nnc(CCNC(=O)N2CCc3ccc(Cl)cc32)s1 292269639 IRQXTSLCJYMVBV-UHFFFAOYSA-N 322.821 2.815 0 50 DFAA Cc1c(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)ccn1C 195040418 KUQAVPBPNGUKQE-INIZCTEOSA-N 302.349 2.686 0 50 DFAA C[C@@H](C1CCN(C(=O)c2sccc2N)CC1)N1CCCC1 82171031 RHJZTRHOKILXOJ-LBPRGKRZSA-N 307.463 2.667 0 50 DFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc2c(=O)[nH]ccc2c1 617836266 UKWJPSYLMCUOQI-SNVBAGLBSA-N 324.384 2.621 0 50 DFAA CN(C)C(=O)c1ccc(C[C@H]2CCOc3ccccc3C2)nc1 95501851 IEGFHYFBQIYOOT-AWEZNQCLSA-N 310.397 2.967 0 50 DFAA Cc1ccc(-c2ccc(CN3CCOC[C@H]3CC(=O)O)cc2)o1 97632043 YAFXZHHOIZNGGG-MRXNPFEDSA-N 315.369 2.931 0 50 DFAA C[C@@H](CO)CNC(=O)Nc1ncccc1OCC1CCCCC1 163148308 YHQKWDAHUHVCFX-CYBMUJFWSA-N 321.421 2.791 0 50 DFAA O=C(O)C[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1ccco1 95504744 MUOYTIHEXUUBQX-ZDUSSCGKSA-N 317.316 2.783 0 50 DFAA Cc1nc(CN(C)C(=O)Nc2cccc3c2CCCC3)no1 95523331 KCHSUBHODHUNLA-UHFFFAOYSA-N 300.362 2.921 0 50 DFAA Cc1oc(-c2ccccc2F)nc1Cn1ncn2cccc2c1=O 95379296 KTYGGMXTZSQGCX-UHFFFAOYSA-N 324.315 2.647 0 50 DFAA Cc1ccccc1[C@H](C(=O)NCCc1ccc(O)cc1)N(C)C 95361831 YYBMORDTWNYJLV-GOSISDBHSA-N 312.413 2.662 0 50 DFAA Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)nc1 91625030 WIWYLOKAWWGWGG-GFCCVEGCSA-N 322.368 2.977 0 50 DFAA COCCN(CCn1cc(Cl)cn1)Cc1ccccc1C 244601888 DTSHDGNGBJVTEO-UHFFFAOYSA-N 307.825 2.994 0 50 DFAA c1cc(-c2cc(CN3CCC[C@@H](c4cc[nH]n4)C3)on2)ccn1 240128303 IPLUXIUXQKAWOI-CQSZACIVSA-N 309.373 2.839 0 50 DFAA CN1CCN(Cc2cccc3nonc23)C[C@H]1c1ccccc1 243901533 BCGDDNSXEFCWTN-KRWDZBQOSA-N 308.385 2.712 0 50 DFAA C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@H]1[C@H]2CC[C@]2(C)C[C@H](O)C[C@H]12 257346113 REVXZRCVOUBLKK-PXXKSMHFSA-N 306.446 2.930 0 50 DFAA CCc1cccc(C)c1NC(=O)CCN1CCC(OC)CC1 252496971 PWTVYZZWHIFUFY-UHFFFAOYSA-N 304.434 2.997 0 50 DFAA COc1ccc2[nH]c(C(=O)Nc3n[nH]c(C(C)C)n3)c(C)c2c1 253408857 LDNYUJCWBMQDOA-UHFFFAOYSA-N 313.361 2.979 0 50 DFAA COc1cnc(CN(C)[C@@H](C)Cc2ccccc2OC)cc1O 252495931 PDPOWWUQENHQSH-ZDUSSCGKSA-N 316.401 2.867 0 50 DFAA Cc1ccc(F)c2[nH]c(C(=O)N3CC[C@@](C)(C(=O)O)C3)cc12 864124284 MKXUZVHKQAJIJA-MRXNPFEDSA-N 304.321 2.552 0 50 DFAA COc1ccc(-c2nc(C(=O)N3C[C@H]4C[C@@H]4C3)cs2)cc1 628501563 XHMFNLVELQRZQC-VXGBXAGGSA-N 300.383 2.911 0 50 DFAA Cc1cc(=O)c(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)cn1C 621219641 HVFCOWPSDLQVDI-FQEVSTJZSA-N 324.424 2.791 0 50 DFAA COCCN(Cc1ccccc1F)C(=O)N[C@H](C)C(F)(F)F 824400781 WFRRFPLKORUTBU-SNVBAGLBSA-N 322.302 2.935 0 50 DFAA Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](CC(C)C)CN(C)C 874192764 UDJUCRNQGOSPIA-ZDUSSCGKSA-N 302.422 2.577 0 50 DFAA COC1(c2nccn2C)CCN(C(=O)O[C@@H](C)CC(C)C)CC1 952993618 IBKPWVIJEGTVBF-AWEZNQCLSA-N 323.437 2.929 0 50 DFAA Cc1nccc([C@@H](C)NC(=O)Nc2c(C)noc2C2CC2)n1 1875277827 HSFVHEOFFAGINX-MRVPVSSYSA-N 301.350 2.842 0 50 DFAA CCc1cccc(NC(=S)NCc2ncc(N(C)C)cn2)c1 1875269632 MDOBKRFMAJWYAA-UHFFFAOYSA-N 315.446 2.592 0 50 DFAA Cc1cnc(C2(NC(=O)Nc3ccc4c(n3)CCC4)CCC2)[nH]1 1875279124 MNYBCLAMPIWLQL-UHFFFAOYSA-N 311.389 2.803 0 50 DFAA CC[C@@H](C(=O)N(CC)CCOc1ccc(C)cc1)N(C)CC 952974170 QORWCPKHDDILCE-KRWDZBQOSA-N 306.450 2.953 0 50 DFAA COc1ccc(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)nn1 885236453 CHCDYSMYUZPXGU-CQSZACIVSA-N 311.385 2.894 0 50 DFAA CC(C)NC(=O)CNC(=O)Nc1ccc2c(Cl)nccc2c1 1775991088 PGADKAZQILJISW-UHFFFAOYSA-N 320.780 2.534 0 50 DFAA Cc1cccc(-n2ccnc2SCC2(C)CS(=O)(=O)C2)c1 1775999010 OHXYDUMBKDPBAY-UHFFFAOYSA-N 322.455 2.708 0 50 DFAA CS(=O)(=O)CCN[C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 585086701 DUWOBUUCJUNBHW-DZGCQCFKSA-N 315.866 2.685 0 50 DFAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3cccnn3)C2)cc1 279072984 RDFINVSXMKQNSW-HOCLYGCPSA-N 310.401 2.873 0 50 DFAA CC(C)[C@H](Nc1ccnc(CSc2ccccc2)n1)C(N)=O 585132881 CZYNLYVBHQMLKI-HNNXBMFYSA-N 316.430 2.691 0 50 DFAA O=C(c1c[nH]ccc1=Nc1ccccc1)N1CCCSCC1 585121255 KGVDJIJRCSXYGM-UHFFFAOYSA-N 313.426 2.826 0 50 DFAA CC[C@@]1(CO)CCCN(C(=O)Nc2cn(C)nc2C(C)C)C1 280883193 ZTCRTXXZACXWHB-MRXNPFEDSA-N 308.426 2.560 0 50 DFAA COC(=O)[C@H]1CCc2nnc(-c3cn(C)c4ccccc34)n2CC1 601045321 VBSTUKMSUJTYQE-LBPRGKRZSA-N 324.384 2.562 0 50 DFAA CCc1occc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(OC)c1 282413528 IEXNXQVXTGQSEM-BBRMVZONSA-N 315.369 2.799 0 50 DFAA COC[C@H]1[C@@H](NC(=O)Nc2ccccc2SC)[C@H]2CCO[C@H]21 1074518023 ULUFOCKNRDSCIG-FDRIWYBQSA-N 322.430 2.580 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ccncn2)C[C@H](c2ccsc2)O1 190689423 NORJVBZHCNSBIE-ZYHUDNBSSA-N 304.375 2.532 0 50 DFAA CS(=O)(=O)N(CCSc1ccccn1)Cc1ccccc1 191485999 WVITYCIAEFKEEO-UHFFFAOYSA-N 322.455 2.636 0 50 DFAA COC[C@@H](NC(=O)Nc1cnn(C)c1)c1ccc(Cl)cc1 193311192 ILFYMDNMCLLZNW-CYBMUJFWSA-N 308.769 2.583 0 50 DFAA O=C(C[C@@H]1OCc2cc(Cl)ccc21)N[C@H]1CC[C@@H](C(=O)O)C1 655547419 NCEYHYAGBWJVLH-LQJRIPTKSA-N 323.776 2.671 0 50 DFAA Cc1cc(N[C@@H](C)c2cc(F)ccc2N(C)C)nc(CO)n1 1646641219 IUABELJVWRUVGF-NSHDSACASA-N 304.369 2.656 0 50 DFAA COc1ccc(NC(=O)c2ccc(OC(C)=O)cc2)cc1O 5378866 DZZRTTIKKSFXRZ-UHFFFAOYSA-N 301.298 2.578 0 50 DFAA CS(=O)(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 11949470 ZCMDIVVZGNAEGA-LLVKDONJSA-N 303.374 2.569 0 50 DFAA COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1 18167798 JRNBZRFZOCTWSP-UHFFFAOYSA-N 302.359 2.533 0 50 DFAA aggregator,biogenic Cc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc1 19839359 REKGHGWPVXXAJH-IBGZPJMESA-N 304.478 2.910 0 50 DFAA Cn1cc(CCn2ccnc2-c2ccc(-n3ccnc3)cc2)cn1 1857715685 CRIYPICXLDPTIV-UHFFFAOYSA-N 318.384 2.712 0 50 DFAA CCCn1c(C)nnc1CN(CCO)[C@@H](C)C1CCCCC1 225535686 RAVJTYYTWVECTO-AWEZNQCLSA-N 308.470 2.760 0 50 DFAA C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2560795 QJYMOTAFFJDTAG-AAEUAGOBSA-N 309.362 2.570 0 50 DFAA in-vitro C[C@H](CNC(=O)NC[C@H]1CC[C@@H](O)C1)c1ccc(F)cc1F 230246536 ZUSQGTBHHBGVOA-NTZNESFSSA-N 312.360 2.529 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc3ccccc3cn2)C1 1875275140 FZZUJZPQQXLXNE-CYBMUJFWSA-N 312.369 2.952 0 50 DFAA Cc1ccc(C(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)c(C)n1 909860928 FONBZDHHZTYQDK-LJQANCHMSA-N 324.380 2.567 0 50 DFAA CNCc1cccc(NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)c1 911691883 IBMZFOZLGDLDKR-CQSZACIVSA-N 323.396 2.861 0 50 DFAA Cn1nc(N)cc1C(=O)N1CCC[C@H]1c1ccccc1Cl 912395843 VEOYBUNXIUKTGU-LBPRGKRZSA-N 304.781 2.633 0 50 DFAA CCn1nccc1CNC(=O)c1c(OC)cccc1C(F)F 912765226 XNYSMRONYIYRIH-UHFFFAOYSA-N 309.316 2.779 0 50 DFAA CN1CC[C@@](C)(c2nc(-c3ccc(C(C)(F)F)cc3)no2)C1=O 924075695 HRFYMPGEDAMGQR-HNNXBMFYSA-N 321.327 2.968 0 50 DFAA Cc1nc(CC2CCN(C(=O)[C@H]3CC[C@H]4C[C@H]4CC3)CC2)no1 830097850 UJCMLWXPLOQRMI-PHZGNYQRSA-N 317.433 2.985 0 50 DFAA C=CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 1120553099 UJBKLPULHFTNAY-HNNXBMFYSA-N 316.401 2.993 0 50 DFAA CCCC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1 34508 ZBYXAQUIWWKMOB-UHFFFAOYSA-N 306.381 2.785 0 50 DFAA O=C(CCOc1ccccc1)Nc1nc2ccc(Cl)cn2n1 2325701274 UVHJQLZHUKRQKT-UHFFFAOYSA-N 316.748 2.790 0 50 DFAA C/C(=C\C(=O)N1CCOC[C@H]1c1cc[nH]n1)c1cccc(F)c1 2325810573 SBESOJOMHBZXIZ-YHVDPYDOSA-N 315.348 2.552 0 50 DFAA COc1cccc2c(=NC[C@@H]3c4ccccc4CN3C)[nH]cnc12 2325857049 NFZBSWWTKSUMJE-MRXNPFEDSA-N 320.396 2.659 0 50 DFAA CCc1cc(=NCc2ccc(-n3ccnc3)c(C)c2)[nH]c(C)n1 2325858696 XMHXQKJZCYHAKO-UHFFFAOYSA-N 307.401 2.876 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(Br)c2cccnc12 203009 KMHQKWLYTLTVQO-UHFFFAOYSA-N 323.146 2.801 0 50 DFAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 294305 MMJJVODPBHNFCY-UHFFFAOYSA-N 305.355 2.582 0 50 DFAA COc1cc(-c2n[nH]c(-c3ccccn3)n2)cc(OC)c1OC 505340 XBELGZGYROVGCO-UHFFFAOYSA-N 312.329 2.560 0 50 DFAA CCc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 3958726 RUMWFWKHEUJFHK-GFCCVEGCSA-N 322.364 2.872 0 50 DFAA COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(OC)c1 4832361 DHVLSHYTAWWGDZ-UHFFFAOYSA-N 301.298 2.654 0 50 DFAA C[C@@H](O)c1nc2ccccc2n1C[C@@H](O)COc1ccccc1 4942739 UIKCJBGQQFMWLO-ZIAGYGMSSA-N 312.369 2.530 0 50 DFAA O=C(Nc1ccccc1CN1CCOCC1)[C@H]1CC=CCC1 55815906 WIVQUWFMVFOZIS-HNNXBMFYSA-N 300.402 2.814 0 50 DFAA C[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1 55564249 DSGOOQHKJYYYLU-MRXNPFEDSA-N 309.413 2.836 0 50 DFAA C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(c3cnccn3)C2)[C@@H]1C 248167970 STLHQXKOWRWKGX-WCVJEAGWSA-N 316.449 2.634 0 50 DFAA C/C(=C\c1ccco1)CN1CC[C@@H](CNC(=O)NC(C)C)C1 67841153 AWTOEVJAUFHRES-HNRFISLBSA-N 305.422 2.712 0 50 DFAA C[C@@H](NC(=O)CCN1CCCCCC1=O)c1ccc(O)c(F)c1 67851543 SSJJEKCYPCALGC-GFCCVEGCSA-N 322.380 2.501 0 50 DFAA O=C1C[C@@H](c2ccccc2C(=O)O)c2cc3cn[nH]c3cc2N1 67909096 OXTDXADUCPQDHT-LBPRGKRZSA-N 307.309 2.735 0 50 DFAA CC[C@H](NC1CSCCSC1)c1cn2cccnc2n1 1506402896 QDEABTKLXFMUDC-LBPRGKRZSA-N 308.476 2.619 0 50 DFAA C[C@@H]1CC(C(=O)Nc2ccc3nc(S)[nH]c3c2)C[C@@H](C)O1 121717646 WVWZYIIEPDBTIL-RKDXNWHRSA-N 305.403 2.994 0 50 DFAA CC(C)Cn1ncc(C(=O)NCc2cccnc2)c1C(F)F 121738110 DPPTXVXQKPOCFI-UHFFFAOYSA-N 308.332 2.802 0 50 DFAA Cc1nc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cs1 68418219 ULZDWMCWXYOHLJ-AWEZNQCLSA-N 319.430 2.540 0 50 DFAA CCN(CC)CCN1CCC[C@@H]1c1nc2c(n1C)CCCC2 328626487 FCTZGQSPVJBASV-QGZVFWFLSA-N 304.482 2.778 0 50 DFAA CC(C)OCCCn1nnc(-c2ccc(Br)o2)n1 356580460 PMPWMPHWHPRYBT-UHFFFAOYSA-N 315.171 2.511 0 50 DFAA O=C(Cn1cnc2ccccc21)N(Cc1ccccn1)C1CC1 253417456 AEGSBTQFBZZNOL-UHFFFAOYSA-N 306.369 2.623 0 50 DFAA Cc1nc(C(=O)NCCc2cc(C(F)(F)F)ccn2)c(C)o1 356617688 AEHKKXUVILQRNL-UHFFFAOYSA-N 313.279 2.678 0 50 DFAA CCN(CC)c1ccc2cc(C(=O)NC(C)C)c(=N)oc2c1 6517572 IABOOEQXGLXGMZ-UHFFFAOYSA-N 301.390 2.897 0 50 DFAA CC[C@](NC(=O)Cc1cccc(F)c1)(C(=O)O)c1ccccc1 362345828 IPAXYTJVINVGEG-GOSISDBHSA-N 315.344 2.875 0 50 DFAA CC(C)(O)CN1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 365280781 PKKRHFXWJQQOSG-KRWDZBQOSA-N 322.493 2.651 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)Cc2ccccc21 261769789 QUYYOGRXUQPAJO-DLBZAZTESA-N 307.349 2.537 0 50 DFAA Cc1noc(C)c1C[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237468864 XNACWYCOWKBZBK-RISCZKNCSA-N 322.405 2.573 0 50 DFAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)C1CCCCCC1 218895724 AFXWLQBWPQBNGY-HZPDHXFCSA-N 318.417 2.705 0 50 DFAA COC(=O)C[C@H]1CCCN(CCOc2ccccc2OC)CC1 239672647 BULGDVFXEXRYFW-HNNXBMFYSA-N 321.417 2.739 0 50 DFAA O=C(NC[C@H](CO)CC1CCCCC1)c1ccc2c(c1)OCO2 241644546 PRQASMHEUVGYTQ-CQSZACIVSA-N 319.401 2.724 0 50 DFAA C[C@H]1OCCN(C(=O)NCCOc2cccc(Cl)c2)[C@@H]1C 178511885 OXBCFRMCBIBUMN-VXGBXAGGSA-N 312.797 2.538 0 50 DFAA COc1ccc(CN2CCC[C@@H](c3nnc4ccccn34)C2)cn1 131787076 TZNANIOUDXLYBX-OAHLLOKOSA-N 323.400 2.513 0 50 DFAA O=C1[C@H]2[C@H]([C@H]3C=C[C@H]2C3)[C@@H](O)N1c1ccc(Br)cc1 222446939 BYHFUTIYFNBRMP-XXINRUCKSA-N 320.186 2.552 0 50 DFAA CC(C)n1nc(C2CCOCC2)nc1[C@@H]1CC12CCNCC2 97413182 XWRBTORXOFKBHQ-AWEZNQCLSA-N 304.438 2.610 0 50 DFAA COc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1F 96162428 VJQUBWRSIQTSFD-SJCJKPOMSA-N 322.380 2.993 0 50 DFAA Cc1n[nH]c(C)c1CCn1cc([C@@H]2CCOC(C)(C)C2)nn1 91651205 BMVGIVVEECAJAU-CYBMUJFWSA-N 303.410 2.533 0 50 DFAA CC1(C)C[C@H](NC(=O)c2cc(F)cc3[nH]cnc23)C(C)(C)O1 183092422 JVGGYJFZEOSFGE-LBPRGKRZSA-N 305.353 2.778 0 50 DFAA Cc1ncc(CNc2ccccc2CN2CCC(CO)CC2)o1 628193797 RDDPNDXDPAVNBY-UHFFFAOYSA-N 315.417 2.799 0 50 DFAA CCOCC(C)(C)NC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 534581946 VTCXHBUTUIIYHH-CQSZACIVSA-N 307.438 2.778 0 50 DFAA CN1CCN(CCn2cc(Cl)cn2)[C@@H](c2ccccc2)C1 459388249 KLXZYAFCOCMNOR-MRXNPFEDSA-N 304.825 2.525 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccccc2Cc2ccccc2)C1 269218896 ZJMOIPMSUBGPSM-MRXNPFEDSA-N 309.365 2.824 0 50 DFAA CCC(=O)N1CCC(C(=O)N[C@@H](CC)c2ccccc2)CC1 823441428 WGKKDWYCOQSUNV-INIZCTEOSA-N 302.418 2.903 0 50 DFAA CCOc1ccccc1CN(C(=O)N[C@@H](CC)C(=O)O)C1CC1 823396077 UWZXADHXVYGRTD-AWEZNQCLSA-N 320.389 2.623 0 50 DFAA CC(=O)NCCCc1ncnn1-c1ccc(C(C)(C)C)cc1 820581352 YYIVDBDKSOHJRK-UHFFFAOYSA-N 300.406 2.634 0 50 DFAA CN(Cc1ccoc1)C(=O)NCc1ccc2c(c1)CCCO2 584888926 YRVQMLUPLTXAGH-UHFFFAOYSA-N 300.358 2.946 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccc(CN)cc1 1875315376 RKTKRQQUJZXNFY-AWEZNQCLSA-N 315.442 2.647 0 50 DFAA O=C(C[C@]12CCC[C@@H]1C2)N[C@H]1CNCC[C@H]1c1ccc(F)cc1 1875404832 XLFIGAAZZDRANT-QSOKESPWSA-N 316.420 2.968 0 50 DFAA CN1CCN(Cc2cccc(-c3cccc4nc(O)[nH]c34)c2)CC1 1875270783 ZSACUFRRWAWDQS-UHFFFAOYSA-N 322.412 2.683 0 50 DFAA O=C(NC[C@H]1Cc2ccccc21)c1cnc2c(c1)C(=O)CCC2 1875271398 CLAYISKBXCBTKD-CYBMUJFWSA-N 306.365 2.670 0 50 DFAA CCN(CCc1nc2ccccc2[nH]1)C(=O)c1[nH]c(C)nc1C 952862992 TYPXYLOXWUYUHX-UHFFFAOYSA-N 311.389 2.608 0 50 DFAA O=C(N[C@H]1CCCC(F)(F)C1)c1c[nH]nc1C1CCOCC1 888076223 JWHZSQHYYXHYIU-NSHDSACASA-N 313.348 2.611 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2 1565508243 OIUNQMCNEXGWSN-GJZGRUSLSA-N 322.399 2.840 0 50 DFAA Cc1nccc2c(NC(=O)N[C@H](C(N)=O)C(C)(C)C)cccc12 1365081599 LNPWLIFZSRHCQG-CQSZACIVSA-N 314.389 2.565 0 50 DFAA CCc1cnc(O)c(C(=O)N2C[C@H]3CCCN3c3ccccc32)c1 668560323 XJSDABYZVKZJPU-CQSZACIVSA-N 323.396 2.979 0 50 DFAA COCCC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 186138126 PPXBSOIYKAPQBO-UHFFFAOYSA-N 315.757 2.973 0 50 DFAA O=C(c1ccc(Cl)nc1OC1CCC1)N1CCC[C@@H](CO)C1 170595915 QSTFTWHSXATZIC-LLVKDONJSA-N 324.808 2.511 0 50 DFAA COc1ccc(C(=O)N(C)[C@@H](C)C(=O)O)cc1-c1ccccc1 170671784 NTMRCKRXZAVRPT-LBPRGKRZSA-N 313.353 2.907 0 50 DFAA Cc1cnc(CCNC(=O)N[C@@H]2CCCc3occc32)s1 408513035 TXQQFHKTPMTNPG-GFCCVEGCSA-N 305.403 2.964 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)C2C=CC=CC=C2)c1 225490415 RQWUUCOSPWAVRN-FUHWJXTLSA-N 311.381 2.628 0 50 DFAA Cc1noc(C)c1[C@H](C)Nc1cc(N2CCSCC2)ncn1 225479129 SDVHASQUJPHLOP-JTQLQIEISA-N 319.434 2.808 0 50 DFAA Cc1cc(NC(=O)N2CCO[C@]3(C[C@H]4CC[C@H]3C4)C2)ccn1 225656772 DUFFWXOJPNVODR-GRDNDAEWSA-N 301.390 2.813 0 50 DFAA Fc1cccc(Cl)c1Cn1ccnc1CN1CCOCC1 585123127 WRXBTBPYBFFPDU-UHFFFAOYSA-N 309.772 2.556 0 50 DFAA Cc1cc(F)cc(NC(=O)[C@@H]2COCCN2C2CCCC2)c1 193608079 HZDBASHCTSIDFM-INIZCTEOSA-N 306.381 2.716 0 50 DFAA Cc1csc(-c2cccc(C(=O)NCCCC(=O)O)c2)n1 195541406 DSPNJFBXOYQSQV-UHFFFAOYSA-N 304.371 2.713 0 50 DFAA C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(C(F)F)nc1 658031072 JBQKALVERZJLHJ-VHRBIJSZSA-N 309.360 2.823 0 50 DFAA C[C@H](NC(=O)c1cccc(OCC(=O)O)c1)C1CCC(F)CC1 659224007 BHSCFQRODICTHN-DCBWTQNWSA-N 323.364 2.797 0 50 DFAA COc1ccccc1-n1nnc(C(=O)Nc2ccccc2)c1C 5033401 GOHOJAPDPLDLDT-UHFFFAOYSA-N 308.341 2.837 0 50 DFAA Cc1cc(C)cc(CN2CCC(=O)N(Cc3ccncc3)CC2)c1 12152471 KPVZJSMVRCFMKC-UHFFFAOYSA-N 323.440 2.933 0 50 DFAA CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 12280924 VJVQHODMZODNGB-SWLSCSKDSA-N 311.385 2.609 0 50 DFAA CC(C)(C)OC(=O)N1CCN(Cc2cccc(C=O)c2)CC1 19850903 YIKZZJRCKPEHGU-UHFFFAOYSA-N 304.390 2.552 0 50 DFAA Cc1cccc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)n1 1857730284 PNSQPMIKGJAIPW-QZTJIDSGSA-N 309.413 2.652 0 50 DFAA O=C(NCCCN1CCCCCC1=O)c1sccc1Cl 239619609 BFSTTZUYWQPIJM-UHFFFAOYSA-N 314.838 2.924 0 50 DFAA CN(Cc1ccc([S@](C)=O)cc1)[C@H](C(=O)O)c1ccsc1 593742800 YQLIUXGOTTVXND-QKKBWIMNSA-N 323.439 2.743 0 50 DFAA CC(C)(CN1CCC2(CC1)C[C@@](C)(O)CCO2)N1CCCCC1 1704335219 LWCNFLVUIURLFE-SFHVURJKSA-N 324.509 2.647 0 50 DFAA CCc1ncc(NC(=O)NCC[C@@H]2CCC3(CCC3)O2)cn1 930494499 ZHEWHBCHKJNLCL-ZDUSSCGKSA-N 304.394 2.652 0 50 DFAA COc1cc2c(cc1-c1ccc(N3CCNCC3)cc1)OCO2 2100541087 VJKOAOTWGVANJD-UHFFFAOYSA-N 312.369 2.501 0 50 DFAA O=C(O)c1ccccc1SCc1nc2ccccc2c(=O)[nH]1 4251151 WZUFPMZPYJZNCZ-UHFFFAOYSA-N 312.350 2.914 0 50 DFAA Cc1nc(C2(NCc3csc([C@H]4CCCO4)n3)CCC2)no1 120314929 MDTXVADBXSXRCO-GFCCVEGCSA-N 320.418 2.855 0 50 DFAA COc1c(C)cccc1C(=O)NC(=S)Nc1cccnc1 386320 QWSTUFGJQWBHHW-UHFFFAOYSA-N 301.371 2.525 0 50 DFAA CCCc1nnc2n1N=C(c1ccc(OC)c(OC)c1)CS2 503767 MWEBTRAFRKXWQA-UHFFFAOYSA-N 318.402 2.606 0 50 DFAA O=C1CCCc2nc3nc(SCc4ccccc4)nn3cc21 2219150 DRRITIYSIFAUSP-UHFFFAOYSA-N 310.382 2.936 0 50 DFAA Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 2880864 VHTRUZRQSNJULC-UHFFFAOYSA-N 324.380 2.720 0 50 DFAA C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 10314714 YELCZJBWHICDMY-GFCCVEGCSA-N 318.398 2.549 0 50 DFAA CCCNC(=O)c1ccc(OCCOC)c(Br)c1 8723125 LGVUCJOQXLSHJW-UHFFFAOYSA-N 316.195 2.614 0 50 DFAA COc1ccc(OCCn2c(CCO)nc3ccccc32)cc1 8786117 UHHHACITTJCCMB-UHFFFAOYSA-N 312.369 2.659 0 50 DFAA CN(c1ncccc1F)S(=O)(=O)c1cccc2c1N=S=N2 135582326 SGUAIXCJINDRLV-UHFFFAOYSA-N 324.362 2.772 0 50 DFAA Cc1ccsc1[C@@H](CN1Cc2ncccc2C1=O)N(C)C 65405698 UVQYOIBKPZMBCO-CQSZACIVSA-N 301.415 2.710 0 50 DFAA COc1ccc(CN2CCN(C(C)C)C[C@@H]2CCO)c(C)c1C 23358322 ZHYROUIVUOFKEY-SFHVURJKSA-N 320.477 2.589 0 50 DFAA O=C(NCC[C@@H]1CCCN(C/C=C/c2ccco2)C1)C(F)F 67867536 JQIKIYSPIOEABP-NDRDAGNVSA-N 312.360 2.776 0 50 DFAA COc1ccc(C2(C(=O)NCC[C@H]3CCCN(C)C3)CC2)cc1 67883479 HKFUDJZFBVXRSY-OAHLLOKOSA-N 316.445 2.575 0 50 DFAA CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 33359625 PLGKFDGLBJZMLJ-UHFFFAOYSA-N 324.789 2.500 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 237491416 YDGNZQSAOYJEFG-FMVNMVDZSA-N 308.372 2.654 0 50 DFAA COCCN1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 72438027 OJPRKOBTOPOBHX-LJQANCHMSA-N 316.445 2.538 0 50 DFAA CN(C)c1ncccc1N(C)C(=O)c1noc2c1CCCCC2 155706487 IVFCQUUDPLOEFU-UHFFFAOYSA-N 314.389 2.681 0 50 DFAA Cc1cc(C)n(C[C@@H](C)Nc2ccnc(C(=O)NC(C)C)c2)n1 72158812 SNSKCCDHXVMPIF-CYBMUJFWSA-N 315.421 2.534 0 50 DFAA COc1cccc(CCNC(=O)CCc2scnc2C)c1 72154241 MVFXWGFEKPCPQH-UHFFFAOYSA-N 304.415 2.752 0 50 DFAA Cc1ccn2c(NC(=O)c3cnc(C)nc3C(C)C)nnc2c1 176312505 KICCUZXEOOAWHQ-UHFFFAOYSA-N 310.361 2.512 0 50 DFAA CCc1nccc(CN2CCN(Cc3cccc(C)c3)CC2)n1 72150137 UPJXSAORURDATE-UHFFFAOYSA-N 310.445 2.665 0 50 DFAA COC(=O)c1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)nc1C 242273573 YEAAVAOEWCWALW-OAGGEKHMSA-N 318.417 2.697 0 50 DFAA CCc1noc([C@H](C)N2CCOc3cc(OC)ccc3C2)n1 374776993 MBKNRSCVPZLZJS-NSHDSACASA-N 303.362 2.596 0 50 DFAA Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccccn2)s1 215046717 JFBYXSQHSRBGHM-GFCCVEGCSA-N 320.443 2.697 0 50 DFAA O=C(NC[C@]1(O)CCc2ccccc21)c1ccc2[nH]ccc2c1 158923991 PUUPVXNVIXBUEC-LJQANCHMSA-N 306.365 2.732 0 50 DFAA COc1cccc(O[C@H](C)C(=O)N(C)CCc2ccncc2)c1 41292855 WRAYCXBCNZOKPL-CQSZACIVSA-N 314.385 2.559 0 50 DFAA Cc1onc(-c2ccccn2)c1C(=O)N[C@@H]1CCOC(C)(C)C1 178968913 DXCHCQZZWKKZPM-GFCCVEGCSA-N 315.373 2.732 0 50 DFAA CC(C)[C@H](NC1CCC2(CC1)OCCO2)c1nc(C2CC2)no1 161794794 AXCONUVZMDQTKP-AWEZNQCLSA-N 321.421 2.919 0 50 DFAA COc1ccsc1C(=O)N1C[C@@H](C(=O)O)c2ccccc21 161951665 RBQYODKLWOYNDX-SNVBAGLBSA-N 303.339 2.585 0 50 DFAA CCCc1cc(C(=O)NCCOc2ccccc2Cl)[nH]n1 91486978 AEXLUXWXAHJFFO-UHFFFAOYSA-N 307.781 2.824 0 50 DFAA CSc1cccc(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 91943196 GBSGPSRGJHWFHZ-ZDUSSCGKSA-N 320.458 2.672 0 50 DFAA CN(CC1CCOCC1)[C@@H](C(=O)O)c1cc2ccccc2o1 95392784 FXMVVDKVCGRUNV-MRXNPFEDSA-N 303.358 2.917 0 50 DFAA CNC(=O)[C@H]1CCN(C(=O)Nc2ccc(C)c(C(C)C)c2)C1 96164160 FWDCLJWXXWBNLN-ZDUSSCGKSA-N 303.406 2.718 0 50 DFAA COC[C@H](c1ccccn1)N(C)Cc1cc(-c2cccnc2)no1 244872881 WGCZLUFCQYSWQZ-GOSISDBHSA-N 324.384 2.951 0 50 DFAA COc1ncc(Cl)c(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 253396721 QGNYFLLYCLUIGI-RTXFEEFZSA-N 311.813 2.659 0 50 DFAA COc1cccc2c1CN(CC(=O)NC1CCC(C)CC1)C2 626021156 QKVLWXCKQJAUEZ-UHFFFAOYSA-N 302.418 2.706 0 50 DFAA CCc1cc(N2CCN(c3ccnc4ccccc34)CC2)ncn1 651360855 XXQOTNGCMXVOME-UHFFFAOYSA-N 319.412 2.914 0 50 DFAA Cc1ccccc1C1(NC(=O)CN(C)Cc2ccncc2)CC1 584899433 FQGCOUVUGSKYEC-UHFFFAOYSA-N 309.413 2.627 0 50 DFAA Cc1nncn1CCN1CCC[C@H](COc2ccccc2F)C1 670445273 DBRSRLJEJJNIEF-HNNXBMFYSA-N 318.396 2.517 0 50 DFAA CCc1ccc(CC(=O)N(CC)CCN2CCCCCC2)nc1 1875267871 JMDCVBCMLZUKFM-UHFFFAOYSA-N 317.477 2.911 0 50 DFAA c1ccc(CCc2noc(-c3cnc4c(c3)CCNC4)n2)cc1 1875324409 XMDCPENHMBODFW-UHFFFAOYSA-N 306.369 2.563 0 50 DFAA C[C@]1(c2noc(CC3CCC4(CC3)OCCO4)n2)CCCCO1 1875392816 VNUDMUFAZQZSLR-MRXNPFEDSA-N 322.405 2.961 0 50 DFAA COc1cccc([C@@H](CNC(=O)[C@@H]2CC[C@@H]3CC[C@@H]32)N(C)C)c1 1875310036 ANPRHQLTHQLJFR-VIBAHUMZSA-N 316.445 2.850 0 50 DFAA CSc1cccc(CN(C(=O)CCn2cnnc2)C(C)C)c1 952973091 FNNXJPWCFHAOEI-UHFFFAOYSA-N 318.446 2.827 0 50 DFAA O=C(/C=C/c1nc2ccccc2s1)N1C[C@@H]2CC[C@H]1CNC2 952985602 BUJKNOFEHJAZFW-NAISLTENSA-N 313.426 2.520 0 50 DFAA COc1nsc(CN[C@@H]2CCN(c3ccccn3)C2)c1Cl 1364887244 LDBLVGLDZFENRD-SNVBAGLBSA-N 324.837 2.569 0 50 DFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(Cl)o2)cn1 275286367 AFAKLWOQGWDWFP-IINYFYTJSA-N 322.748 2.597 0 50 DFAA COC(=O)c1cc(CNc2nnc(-c3cc(C)oc3C)o2)c[nH]1 170594999 SUINNOUMPJTVIZ-UHFFFAOYSA-N 316.317 2.673 0 50 DFAA C/C(=C\C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1)C1CC1 222159980 SLWTZYWYGSSMJG-BUHFOSPRSA-N 313.397 2.988 0 50 DFAA Cc1nc(CC(C)C)oc1C(=O)N[C@H]1COc2ccccc2C1 190124852 LNZQFTGKHJRKSP-CQSZACIVSA-N 314.385 2.915 0 50 DFAA CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CCCC12CCCCC2 661267575 ZZCPFDRLFLNPKH-ARFHVFGLSA-N 324.465 2.840 0 50 DFAA COc1cc(C(=O)N[C@H]2CCCOc3ccccc32)sn1 585089489 RAQBGDYTDYDIAJ-NSHDSACASA-N 304.371 2.795 0 50 DFAA CCN(C)C[C@H](C)C(=O)Nc1c(C)c(-c2ccccc2)nn1C 1506412922 FYIHHKASMDWEAE-ZDUSSCGKSA-N 314.433 2.922 0 50 DFAA Cc1cc(NC2(C(=O)O)CCCC2)nc(N2CCCCC2)n1 1704309966 UHOIFQWEAXTCEJ-UHFFFAOYSA-N 304.394 2.585 0 50 DFAA c1cc2c(cc1CN1CCC[C@@]3(CCc4c[nH]nc43)C1)CCO2 1800413447 HUJCJMTUNDQBPJ-LJQANCHMSA-N 309.413 2.825 0 50 DFAA O=C1C[C@H](c2nnc3n2CCCCC3)CN1Cc1ccccc1 1772819900 XBSDYJSTBFDZJR-HNNXBMFYSA-N 310.401 2.521 0 50 DFAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C[C@H]1CCC(=O)N(C)C1 1775979202 GQQROUIXDVTLHR-LLVKDONJSA-N 320.824 2.517 0 50 DFAA c1ccc2nc(N3CCC[C@]4(CCc5c[nH]nc54)C3)cnc2c1 1775979225 YUMWOWKDMIIMOG-SFHVURJKSA-N 305.385 2.837 0 50 DFAA COCCC(=O)N1CCO[C@H](Cc2cccc3ccccc23)C1 11818660 FAGMDLGRQVRXMZ-QGZVFWFLSA-N 313.397 2.646 0 50 DFAA c1cncc(COC2CCN(Cc3cccc4ccnn34)CC2)c1 1857677851 OWFCEOMAJLTZMK-UHFFFAOYSA-N 322.412 2.911 0 50 DFAA CN(C[C@@H]1CCC(=O)N1)c1nc2cc(C(C)(C)C)ccc2o1 1857679275 RJUVZCUXGAHDAD-LBPRGKRZSA-N 301.390 2.840 0 50 DFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C(C)(C)C)cc1 48773 VKVARPMNHYIHFA-AWEZNQCLSA-N 318.442 2.950 0 50 DFAA COCC[C@@H]1COCCN1Cc1oc(-c2ccccc2)nc1C 639652748 VAKJLBLZVQSIDC-MRXNPFEDSA-N 316.401 2.887 0 50 DFAA CC(C)(C)c1cnc(CNC(=O)c2ccc(C(=O)O)cc2)o1 236619656 YHUCATPASVVAFY-UHFFFAOYSA-N 302.330 2.600 0 50 DFAA O[C@H](COC[C@H]1C[C@H]2CC[C@H]1C2)CN1CCc2ccccc2C1 239846306 LBKQAOZQTPAMGS-UUXHPUJUSA-N 315.457 2.858 0 50 DFAA biogenic CCC(C)(C)OCC(=O)N1CCC(Oc2cc(C)ccn2)CC1 457700441 PJWAVDXTONZTBM-UHFFFAOYSA-N 320.433 2.965 0 50 DFAA CC[C@]1(NC(=O)c2ccn(-c3ccc(F)cc3C)n2)CCOC1 682981685 MJPYEOPRMVKKDL-KRWDZBQOSA-N 317.364 2.619 0 50 DFAA Cc1nn(C(C)C)cc1CNC[C@@H]1CC(=O)Nc2ccccc21 374196912 DHNWTTMSSUPAGR-AWEZNQCLSA-N 312.417 2.988 0 50 DFAA CCN(CC)[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C1 161567227 BOWRSJJRZMOPPF-AWEZNQCLSA-N 307.442 2.586 0 50 DFAA Cc1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1Cl 930485025 WFYKXNBRHIJRHR-NSHDSACASA-N 318.808 2.606 0 50 DFAA COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc(C)c(C)cn1 933498258 LAZCRDSVQVATOJ-HNNXBMFYSA-N 312.369 2.961 0 50 DFAA CC[C@@H](C)c1nccc(=NC[C@@H]2CC(=O)Nc3ccccc32)[nH]1 2325775182 HWQADYLLUPDMIM-OLZOCXBDSA-N 310.401 2.950 0 50 DFAA Cc1nc2n(n1)C[C@H](NC1CC(c3ccc(F)cc3)C1)CC2 127377461 FZVNCQQGQOSGRA-OGVSOVDVSA-N 300.381 2.576 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 246882470 IFERJDJJRRXUOX-XDTLVQLUSA-N 313.228 2.904 0 50 DFAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc(Cl)s2)S1 89940 JGNDUWAOYZTXLC-LLVKDONJSA-N 317.823 2.577 0 50 DFAA aggregator CCOC(=O)c1cn(CC)c2cc(F)c(OCC)cc2c1=O 185505 BZOBQKLCIJHVQP-UHFFFAOYSA-N 307.321 2.736 0 50 DFAA COc1cccc(C(=O)CN2C3=NCCCN3c3ccccc32)c1 310574 UIMJTGBOHVOXFF-UHFFFAOYSA-N 321.380 2.964 0 50 DFAA COc1ccccc1CNC(=O)C(=O)Nc1cccc(C)c1C 2812230 BARUHMZPKYVGST-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA Cc1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 3446416 JMJUHSVFYMCJIT-UHFFFAOYSA-N 322.286 2.781 0 50 DFAA COc1ccc2c(ccn2CC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 101631366 DJPMZRBXISOHDD-DZKIICNBSA-N 310.397 2.978 0 50 DFAA O[C@@H](CN1CCCC[C@H]1Cn1cncn1)c1ccccc1Cl 247793202 PPKDNZKIKQPUHJ-BBRMVZONSA-N 320.824 2.520 0 50 DFAA O=c1cc(-c2ccccc2)[nH]c2nc(CCc3ccccc3)nn12 101187566 NBMMXEKCPQMHBN-UHFFFAOYSA-N 316.364 2.870 0 50 DFAA Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)s1 9642554 YCTYFWITDUJOKZ-SNVBAGLBSA-N 319.361 2.582 0 50 DFAA Cc1ccc(OCc2cc(C(=O)N3CCC[C@H](C)C3)no2)cn1 11937785 MTOPCIJBXXEEIA-LBPRGKRZSA-N 315.373 2.829 0 50 DFAA COc1ccccc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348260201 NIBUNRRIBLBRAZ-GDBMZVCRSA-N 315.344 2.782 0 50 DFAA CCOc1ccc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)o1 67688529 LOQFMIVNCCPXRH-CYBMUJFWSA-N 303.362 2.579 0 50 DFAA C[C@H]1C[C@H]1c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)o1 252487120 RVFYIHXXOZTXQE-KNCOVGOOSA-N 317.433 2.781 0 50 DFAA Cc1oc(-c2ccccc2)nc1CN1CC[S@](=O)[C@@H](C)[C@H]1C 230183504 ICDLKTYSUIOFNY-BWFKNJDFSA-N 318.442 2.991 0 50 DFAA OCC1(O)CCN(CC(c2ccccc2)c2ccccc2)CC1 67947786 GOZNNJSTRDOGPG-UHFFFAOYSA-N 311.425 2.638 0 50 DFAA NC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1Cl 122332731 HYKBNNCFVLXAEG-VIFPVBQESA-N 317.614 2.666 0 50 DFAA C[C@H]1Cc2cc(CNCCC(=O)Nc3nccs3)ccc2O1 65380269 POMCCWJQMKLYJB-NSHDSACASA-N 317.414 2.585 0 50 DFAA CCOC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)nn1C 2743669 HUGZOIRBFBKZBX-UHFFFAOYSA-N 321.764 2.811 0 50 DFAA COC1(C(=O)N2CC[C@H](c3ccc(C)cc3C)C2)CCOCC1 285157255 YYLKLUIOJFGYIP-INIZCTEOSA-N 317.429 2.815 0 50 DFAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccon2)C1 77459755 XKOFAAHCJHNKAE-OAHLLOKOSA-N 312.369 2.729 0 50 DFAA COc1cccc2ncn(C[C@@H](OC)c3cccs3)c(=O)c12 32534786 AGWLAVMSNSOEAH-CYBMUJFWSA-N 316.382 2.854 0 50 DFAA Cc1ccc(CN2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)c(C)c1 371472037 XVPLBMQGHBMZMW-GBESFXJTSA-N 302.462 2.987 0 50 DFAA CC(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 377830968 ISOOHDQVHFNDCR-AWEZNQCLSA-N 315.348 2.992 0 50 DFAA C[C@H](Cc1cnccn1)Nc1nc(C2CCCC2)nc2c1CNC2 72163880 RQBCISMXEGGPNC-GFCCVEGCSA-N 324.432 2.571 0 50 DFAA COc1nc(C)cc(C)c1CN[C@@H]1CCOC2(CCOCC2)C1 77524175 IAXYPAKHKODXQN-OAHLLOKOSA-N 320.433 2.525 0 50 DFAA Cc1[nH]ccc1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 239761235 CJFQUWDSYXTDFV-GFCCVEGCSA-N 303.337 2.541 0 50 DFAA C[C@H](CN1CCS(=O)CC1)c1ccc(C(F)(F)F)cc1 337261026 XMUQPZAAVCCWJF-LLVKDONJSA-N 305.365 2.873 0 50 DFAA Cc1c[nH]nc1C1CCN(C(=O)COc2ccc(F)cc2)CC1 220107260 NHHHUBCFFVIBOK-UHFFFAOYSA-N 317.364 2.642 0 50 DFAA C[C@H]1[C@@H](C)OCCN1C(=O)NCCOc1cccc(Cl)c1 178511897 OXBCFRMCBIBUMN-NWDGAFQWSA-N 312.797 2.538 0 50 DFAA Cc1n[nH]c(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 293272435 SPQSOWCWHNYBJS-CABCVRRESA-N 304.369 2.604 0 50 DFAA Cc1ccc(C(=O)N(C2CCC2)C2CCC2)cc1S(C)(=O)=O 292536751 LAADZHFKMWVPPD-UHFFFAOYSA-N 321.442 2.946 0 50 DFAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1C 180148265 CBOZJSGLGKLNQE-LRDDRELGSA-N 320.339 2.560 0 50 DFAA COCC(C)(C)C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 97514312 ZAHNMIAGYQRZSR-INIZCTEOSA-N 322.424 2.751 0 50 DFAA O=C([C@@H]1CCCN1)N1CCC[C@H](COc2ccccc2Cl)C1 182740049 UOIATKBDSZZDJD-ZFWWWQNUSA-N 322.836 2.709 0 50 DFAA C[C@]1(c2ccccc2)CCCN(c2nc(C(N)=O)cs2)C1 95384236 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CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(C)nnc1C 680860849 VUCFDQFRMLZDOM-MRXNPFEDSA-N 324.428 2.834 0 50 DFAA CN(C)C[C@H]1[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)C[C@H]12 1506425879 SHSPIOUOSUMVJP-ZSOGYDGISA-N 303.356 2.757 0 50 DFAA CCc1nccn1C[C@@H](C)N(C)Cc1nc2ccccc2n1C 1506406921 HMLQAPNXMWNDGO-CQSZACIVSA-N 311.433 2.853 0 50 DFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1cccnc1 1506398584 FJWVASJCEMBRLS-UHFFFAOYSA-N 323.356 2.516 0 50 DFAA Cc1cc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)oc1C 1615633348 MICAFCBPOFGRAA-ROUUACIJSA-N 306.450 2.708 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(-c3oc4ccccc4c3C)n2C1 1616040590 URKYZPCWKTWVLW-LLVKDONJSA-N 311.341 2.735 0 50 DFAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@H](C2(O)CC2)C1 1772818220 ANXCMNGXLCVQDP-NSHDSACASA-N 317.414 2.515 0 50 DFAA CC(C)CN1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(F)cc1 12093316 DUWHUNFVMSOTBJ-JKSUJKDBSA-N 306.381 2.529 0 50 DFAA c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)nc1 12195547 OQSXMKIUXFLYBI-INIZCTEOSA-N 305.385 2.830 0 50 DFAA CCCN1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 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COc1cc(CC(=O)N2CCc3c(Cl)cccc32)ccn1 612282111 KBWCONNKLSTKFA-UHFFFAOYSA-N 302.761 2.875 0 50 DFAA O=C(N1CCC[C@]2(CCNC2)C1)C1(c2ccc(Cl)cc2)CC1 289284671 QMVOZOGWYHACRJ-QGZVFWFLSA-N 318.848 2.974 0 50 DFAA CO[C@]1(C)CCCN(C(=O)CCc2ccccc2C(=O)O)CC1 263583406 ZWGZBLLOTZHMQH-GOSISDBHSA-N 319.401 2.735 0 50 DFAA C[C@H](NC(=O)c1cnn(C)c1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 614492975 TYVOWHXXMCQXCS-NAKRPEOUSA-N 315.339 2.993 0 50 DFAA CC(C)c1scnc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 291170988 NFQTUQXDYRHVIC-UHFFFAOYSA-N 324.427 2.922 0 50 DFAA O=C(Nc1nnc(COc2ccccc2)s1)c1ccccn1 49551050 ODHNVFUWXFLNSQ-UHFFFAOYSA-N 312.354 2.764 0 50 DFAA C[C@H]1CCC[C@]1(O)CNc1nc(-c2cccnc2)nc2c1CCC2 294035421 LLOLHOBLSFKYAV-DJJJIMSYSA-N 324.428 2.990 0 50 DFAA Cc1ccc2ncnc(N3CCC([C@H]4NC(=O)C4(C)C)CC3)c2c1 294172875 SCLSGBDAXKAOJK-MRXNPFEDSA-N 324.428 2.679 0 50 DFAA CCCN(Cc1ccncc1)C(=O)NCc1nc(C)cc(C)n1 426545451 SIFLKJZVBHWFSB-UHFFFAOYSA-N 313.405 2.610 0 50 DFAA Cc1cc(OC(F)F)ccc1NC(=O)NCC1(C)COC1 97514401 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2.800 0 50 DFAA Cc1occc1C(=O)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 12203027 YKYXCTJNNYIVEK-GOSISDBHSA-N 302.418 2.926 0 50 DFAA CCCOc1cc(C)ccc1S(=O)(=O)Nc1cccnc1 12560766 KVXVUGAZMBWWIH-UHFFFAOYSA-N 306.387 2.980 0 50 DFAA Cc1ccc(CN2CC[C@H](N3CCSCC3)CCC2=O)cc1 14978569 VHQOCNAUOCKGSG-QGZVFWFLSA-N 318.486 2.925 0 50 DFAA O=C(CCC1CCCC1)N1CCN(Cc2cccnc2)CC1 19339188 AJZXGGYIJIKVKT-UHFFFAOYSA-N 301.434 2.696 0 50 DFAA CC=CC[S@@](=O)CC(=O)NCCc1c(C)cc(C)cc1C 1857532328 DJSFVLPYVMOWPW-OAQYLSRUSA-N 307.459 2.595 0 50 DFAA Cc1cccc(C)c1OCCNC(=O)N[C@H]1CCO[C@@H](C)C1 332641190 VCRRSGIPFDOPHT-GJZGRUSLSA-N 306.406 2.549 0 50 DFAA Cc1cccc([C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C)c1 612014877 QIQQIEHNIZSMEF-MRXNPFEDSA-N 300.406 2.868 0 50 DFAA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C[C@H]2CC=CCC2)o1 328633410 LYNRLRCQSRFFEW-KKUMJFAQSA-N 308.401 2.583 0 50 DFAA Oc1cccc(CN2CCN(Cc3ccc4cn[nH]c4c3)CC2)c1 128016710 RGSBSWQMECNEHZ-UHFFFAOYSA-N 322.412 2.586 0 50 DFAA O=C(O)c1cccc(OCCN2CCC[C@H]2[C@H]2CCCOC2)c1 652448369 KHIJHYKLZHEYOB-RDJZCZTQSA-N 319.401 2.655 0 50 DFAA Cc1nscc1C(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434061 HGPPZCDFLDUEBQ-NSHDSACASA-N 302.355 2.670 0 50 DFAA CCc1ncnc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1F 253395281 RSSPULHJDABVEK-YGRLFVJLSA-N 323.318 2.769 0 50 DFAA C[C@H]1CCCC[C@H]1CC(=O)N1CCC(NC2CCOCC2)CC1 904217471 HDLWSUFKGUFATA-HOTGVXAUSA-N 322.493 2.962 0 50 DFAA CC[C@H](C)CONC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 816977319 XARAFIYYKKKIOZ-FZMZJTMJSA-N 324.808 2.787 0 50 DFAA O=C(O)Cc1cccc(-c2ccc(C(=O)N3CCCC3)cn2)c1 1242262397 QQMFLXPYEHLRTP-UHFFFAOYSA-N 310.353 2.612 0 50 DFAA Cc1ncccc1CN[C@H](C)c1ccc(N2CCNC2=O)cc1 829757586 FXTMLBSNUBYECD-CYBMUJFWSA-N 310.401 2.770 0 50 DFAA CCC1(NC(=O)C[C@@H]2CC(=O)Nc3ccccc32)CCOCC1 935139073 FFTUEBZBLPXBFH-ZDUSSCGKSA-N 316.401 2.578 0 50 DFAA Cc1cc(N)c(NS(=O)(=O)c2cc(C(C)(C)C)no2)cc1C 2325801830 XXQABDWNAMGBDW-UHFFFAOYSA-N 323.418 2.972 0 50 DFAA CC(C)(C)OC[C@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 895657901 RPADJNNHMQNJIF-CYBMUJFWSA-N 315.421 2.786 0 50 DFAA CCc1sc(NC(=O)COc2ccccc2)c(C(N)=O)c1C 437589 BILLZXCXJGLCDX-UHFFFAOYSA-N 318.398 2.735 0 50 DFAA CC(C)=CCCc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 2356144429 XHYWYSBNKKWXNA-UHFFFAOYSA-N 324.428 2.683 0 50 DFAA C[C@]1(C(=O)N=c2[nH][nH]cc2-c2ccc(F)cc2)CCCCO1 2356167992 LFNHDKQNJHDHAB-MRXNPFEDSA-N 303.337 2.535 0 50 DFAA C[C@H](OC(=O)c1ccco1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248379034 LKQAPZPUMIOBHZ-IKOXMDCHSA-N 305.374 2.766 0 50 DFAA CCOc1cc(CNCc2ncc[nH]2)cc(Cl)c1OC(C)=O 55327575 UJZUUZOSJWSDTQ-UHFFFAOYSA-N 323.780 2.677 0 50 DFAA Cc1onc(C(=O)N2CCN(C)CC2)c1-c1ccccc1Cl 59030459 RPJMZJFIYQZILE-UHFFFAOYSA-N 319.792 2.691 0 50 DFAA O[C@@H](CNCCc1ccccc1)COc1ccccc1Cl 23549942 JYPOQEQKDSDCGO-HNNXBMFYSA-N 305.805 2.912 0 50 DFAA Cc1nc(CN(C)Cc2ccncc2)n(-c2ccc(F)cc2)n1 65465486 UAPUUHBHTYRBGI-UHFFFAOYSA-N 311.364 2.742 0 50 DFAA Cc1ccc2[nH]c(=O)c(CN(Cc3cnn(C)c3)C(C)C)cc2c1 67840057 NMYXKSDPJLZEIL-UHFFFAOYSA-N 324.428 2.981 0 50 DFAA CC[C@@H](CO)N(Cc1cccs1)C(=O)Cc1ccc(O)cc1 63834799 GDJSREVSCBMZPA-AWEZNQCLSA-N 319.426 2.796 0 50 DFAA COc1cc(-c2noc([C@H]3CCC(=O)c4cccn43)n2)cnc1C 351166623 QTFNDKSOQAWCHS-CYBMUJFWSA-N 324.340 2.816 0 50 DFAA O[C@H](COc1ccccc1)CN1CCC[C@@H](C(F)(F)F)C1 229104960 NMRBFYXVCQTHCZ-OLZOCXBDSA-N 303.324 2.701 0 50 DFAA C[C@@H]1CN(Cc2ccc(F)c(Br)c2)C[C@H]1N(C)C 251682609 HWYOPNGNAHWWMD-QMTHXVAHSA-N 315.230 2.970 0 50 DFAA NC(=O)N1CCC[C@@H]1COC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 229352737 FQBSWYQFSUKGNR-MGPQQGTHSA-N 322.792 2.530 0 50 DFAA CCN(CC(=O)NC[C@]1(C)CCCC[C@H]1O)c1ccccc1 252669921 IZKDTPFMRFGQDE-AEFFLSMTSA-N 304.434 2.570 0 50 DFAA CC(C)(C(=O)NC1CCC(C(=O)O)CC1)c1cccc(F)c1 236700247 YZSVKQAMIOLEQT-UHFFFAOYSA-N 307.365 2.863 0 50 DFAA COc1ccc(/C=C/CN2CCC[C@@]3(C2)CN(C)C(=O)O3)cc1 72419388 FAPHIUIXYJOJHV-YZTRRJNXSA-N 316.401 2.625 0 50 DFAA C[C@H]1CCCc2nc(S(=O)(=O)N[C@H](C3CCC3)C3CC3)cn21 333111271 DZWABGFJHUTXJL-MEDUHNTESA-N 323.462 2.637 0 50 DFAA CCS[C@H](C)C(=O)N1CCN(Cc2cccc(C)c2)CC1 72478435 WNMHBSZXJAKJCS-OAHLLOKOSA-N 306.475 2.781 0 50 DFAA Cc1ccnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1 253420584 MZWZVWLQUQBBAH-INIZCTEOSA-N 303.793 2.622 0 50 DFAA C[C@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)C[C@@H](C)N1 153746635 MCPRZLZCUXQEMN-YFHYCDLPSA-N 323.234 2.671 0 50 DFAA CN1C[C@@]2(CCCN(Cc3nc4ccccc4s3)C2)OC1=O 72134420 LZZPNMHYDXOBGP-MRXNPFEDSA-N 317.414 2.713 0 50 DFAA O=C(Cc1cc(-c2ccccc2)on1)N1CC[C@]2(CCOC2)C1 155001432 CTSGTZBJVPVAKD-SFHVURJKSA-N 312.369 2.523 0 50 DFAA COC(=O)c1nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)[nH]c1C 218916516 YRCHVVUDLJUQQQ-JTQLQIEISA-N 311.382 2.727 0 50 DFAA Cn1nccc1S(=O)(=O)N1CCC[C@@H]1CC1CCCCC1 372513998 QLZYSSAFHQVRGI-CQSZACIVSA-N 311.451 2.544 0 50 DFAA Cc1ncccc1C(=O)N1CCCN(CC2CC2)[C@H](C(C)C)C1 71746894 UWPIBSXGAJHWRE-SFHVURJKSA-N 315.461 2.973 0 50 DFAA CC(C)(CO)Cn1cnc2sc3c(c2c1=O)CCCCC3 32529628 WDHVVFCRDBDNBQ-UHFFFAOYSA-N 306.431 2.745 0 50 DFAA CCc1nc(NCCCc2scnc2C)c2cnn(C)c2n1 72121816 NQIHOQVKCVVCOI-UHFFFAOYSA-N 316.434 2.735 0 50 DFAA Cc1cc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)c(C)o1 262856224 IGYKSBXTTMTCPC-HOTGVXAUSA-N 313.353 2.837 0 50 DFAA Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H]1CCN(c2cnn(C)c2)C1=O 241447081 NRALELWMRHYNTC-COXVUDFISA-N 324.428 2.672 0 50 DFAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c1C 42851384 LOZSGLICBIRVGC-ZDUSSCGKSA-N 312.369 2.808 0 50 DFAA CCc1[nH]c2ccc(CNC(=O)Cn3ccccc3=O)cc2c1C 71761329 ATWDJAWIZLRTRG-UHFFFAOYSA-N 323.396 2.517 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1C 47976840 PUBKRGVJMJPPDP-CQSZACIVSA-N 303.406 2.636 0 50 DFAA COc1ccc(-c2cnc3ncnn3c2)c(-n2nc(C)cc2C)c1 426690546 HEECHHROBXTVGD-UHFFFAOYSA-N 320.356 2.602 0 50 DFAA C[C@@H]1C[C@@H](CCNc2ncnc3c2ncn3C2CC2)CCO1 292611007 CRDZKWOPXFXIHJ-NEPJUHHUSA-N 301.394 2.778 0 50 DFAA COc1cccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c1 426623118 VZFZBAOWUWFRSW-IBGZPJMESA-N 313.397 2.728 0 50 DFAA CNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(C)c(C(C)C)c2)C1 96164161 FWDCLJWXXWBNLN-CYBMUJFWSA-N 303.406 2.718 0 50 DFAA Fc1cnc(I)c(Br)c1 238583117 CWWQFJQUFJTUGG-UHFFFAOYSA-N 301.884 2.588 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCCn3ccnn3)c2c1 95524162 XADGVFLSPLPPGP-UHFFFAOYSA-N 323.400 2.572 0 50 DFAA CCN(CCOc1ccccc1Cl)C(=O)N[C@@H](C)COC 426527713 HDKRJEVCYWGWMA-LBPRGKRZSA-N 314.813 2.785 0 50 DFAA CCC(=O)Nc1cc(NC(=O)N2CC[C@H](OC)C2)ccc1C 97632118 XWECJFNFPZRXHI-ZDUSSCGKSA-N 305.378 2.596 0 50 DFAA CCN(C)c1cc(C[C@@H]2COc3cc(OC)ccc3C2)ncn1 91587424 LQHRGBYYUWMZDX-CYBMUJFWSA-N 313.401 2.735 0 50 DFAA O=C(O)Cc1cccc(-c2cc(C(=O)N3CCCC3)ccn2)c1 1242261889 KZDNWJIQTYRJLO-UHFFFAOYSA-N 310.353 2.612 0 50 DFAA c1ccc2sc(CCc3nc([C@H]4CCOC4)no3)nc2c1 96149058 VXKZFJKBLUSIEF-JTQLQIEISA-N 301.371 2.968 0 50 DFAA CSCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95382546 FPWROVQNUNWPDB-CQSZACIVSA-N 307.463 2.752 0 50 DFAA CCN1CCC(CC(=O)N2CC(OCc3ccccc3)C2)CC1 95511553 YABOTSPGMQYWOF-UHFFFAOYSA-N 316.445 2.536 0 50 DFAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2nnc(C)o2)n1 95378663 DADGUJDBUBKQON-SSDOTTSWSA-N 303.288 2.650 0 50 DFAA Cc1cccc(CC(=O)N[C@@H](C)c2ncc(C(=O)O)s2)c1 621609383 KRALKEXFDRNYRL-JTQLQIEISA-N 304.371 2.570 0 50 DFAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)COc2cccnc2)C1 244673611 HSLVBRGKAPKVOH-INIZCTEOSA-N 324.380 2.582 0 50 DFAA CC1=CC[C@@H]2CN(Cc3cc(=O)n4cc(C)sc4n3)C[C@@H]2C1 243893569 ASGWMSFSJNCGPQ-KGLIPLIRSA-N 315.442 2.853 0 50 DFAA CC(C)(O)c1ccc(CNC(=O)[C@@H]2COc3ccccc32)cc1 184688856 NCNRTHTUKJEHAS-MRXNPFEDSA-N 311.381 2.706 0 50 DFAA Cc1ccccc1[C@]1(O)CCN(C(=O)NCCSC(C)C)C1 534663337 WFCLMYRVBNWZPA-KRWDZBQOSA-N 322.474 2.740 0 50 DFAA COc1nc(NC[C@@H]2CCN(C3CCCCC3)C2)ncc1F 534666893 MFBWWMIBCBCQIH-LBPRGKRZSA-N 308.401 2.691 0 50 DFAA COCC1(C(=O)NCc2cc(-c3cccc(F)c3)no2)CC1 299791364 DNJIAEMZIWNCJR-UHFFFAOYSA-N 304.321 2.524 0 50 DFAA CC(C)[C@H](NC(=O)c1cccc2c1NCCC2)c1nccn1C 299766411 ODPCRXFUQYORGP-HNNXBMFYSA-N 312.417 2.905 0 50 DFAA COc1cccc(SCC(=O)N(C)[C@H](C)c2nc(C)no2)c1 568187981 UMGNGFUNSAYMDW-SNVBAGLBSA-N 321.402 2.698 0 50 DFAA CNC(=O)[C@H]1CC[C@H](CNc2nc(C)ncc2C(C)C)CC1 823830639 AZHCEVZTQCFSBN-HDJSIYSDSA-N 304.438 2.873 0 50 DFAA CC[C@@H](O)c1nc(-c2ccc(SC)cc2)nn1CC(C)(C)O 822663255 AVQNEQSRYIKMLN-CYBMUJFWSA-N 321.446 2.881 0 50 DFAA COC(=O)[C@H](C)[C@@H](C)SCc1ccc2oc(=O)n(C)c2c1 1875272334 QGSYRAUQUJSIOH-NXEZZACHSA-N 309.387 2.562 0 50 DFAA CC(C)(C)NC(C)(C)c1cn(Cc2c(F)cncc2F)nn1 1875281939 GBLFPSLFZAJADX-UHFFFAOYSA-N 309.364 2.623 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C3CCC3)C3CC3)nn(C)c21 1875299983 FUQBSUOMNCKYQH-MNOVXSKESA-N 303.406 2.599 0 50 DFAA CC1(C)C[C@@H](Nc2ncc3c(n2)CCCCC3)CCS1(=O)=O 1875306630 AGSNOBWDYUQFOS-ZDUSSCGKSA-N 323.462 2.513 0 50 DFAA O=C(N[C@H]1CCCC2(C1)N=N2)c1cnn(-c2ccccc2F)c1 1875396592 OBBUBVPFEHFJLL-LBPRGKRZSA-N 313.336 2.846 0 50 DFAA Fc1cccc2oc(N3CCC[C@H](n4ccnn4)CC3)nc12 895106432 WOSYEZQBWGMSKR-NSHDSACASA-N 301.325 2.790 0 50 DFAA O=C(CCn1ccnc1)N1CCCC[C@@H]1CC1(O)CCCCC1 899749778 ADXKTDQAFMFYEK-MRXNPFEDSA-N 319.449 2.740 0 50 DFAA COc1c(Cl)cccc1-c1noc(CCc2ccn(C)n2)n1 1345149158 LZPXYTYAXSUBMD-UHFFFAOYSA-N 318.764 2.917 0 50 DFAA COc1nscc1NC(=O)N1CCC([C@H]2CCCO2)CC1 1366624076 RUBVRITXRZXPDB-GFCCVEGCSA-N 311.407 2.575 0 50 DFAA O=C([C@@H]1CCc2n[nH]cc2C1)N1CCC[C@@H]1c1ccc(O)cc1 677436653 AJYLKFFQSVFWTC-CXAGYDPISA-N 311.385 2.584 0 50 DFAA Fc1ccc([C@H]2CN(CCn3ccnc3)CCO2)c(Cl)c1 187861981 RXTKMEUYPUTNRB-OAHLLOKOSA-N 309.772 2.749 0 50 DFAA Cc1ccn(C)c1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 189107167 AJRAILPMUNMBFE-UHFFFAOYSA-N 312.348 2.588 0 50 DFAA COc1ccccc1CCC(=O)Nc1nnc([C@@H](C)OC)s1 1506406722 FVLCDBTUGVJUIV-SNVBAGLBSA-N 321.402 2.825 0 50 DFAA CCn1ncc(C)c1NC(=O)[C@H](c1ccccc1F)N(C)C 1529179750 DHQVCPJOPAIHLO-AWEZNQCLSA-N 304.369 2.592 0 50 DFAA Cc1cc(N2CCC[C@@H]2c2ccc(CN(C)C)cc2)nc(N)n1 1529197485 QTYOUWSDJAWKPF-MRXNPFEDSA-N 311.433 2.770 0 50 DFAA C[C@H](NC(=O)N(C)C[C@H]1CCOC1)[C@H](C)Oc1ccccc1 110666105 WCLWGNGUAAJTJY-SOUVJXGZSA-N 306.406 2.520 0 50 DFAA Cc1csc(C(C)(C)NC(=O)c2ccn(C(F)F)n2)n1 678844734 DBIURVVMPKLXPC-UHFFFAOYSA-N 300.334 2.708 0 50 DFAA COc1cc2nc(-c3ccccc3OC)oc(=O)c2cc1OC 1065018 ICQOTTCZROPSAH-UHFFFAOYSA-N 313.309 2.881 0 50 DFAA O=C(Nc1nccs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1072552 NPXWBXCPDGMRLF-VIFPVBQESA-N 321.789 2.788 0 50 DFAA COc1ccc([C@@H]2CCCN2CCN2CCCOCC2)cc1C 1614997983 UBUIIFXNXNFVHZ-SFHVURJKSA-N 318.461 2.863 0 50 DFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(N)=O 473510 AZLQVFKPWBRAML-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA CC(C)/C=C/C(=O)N1CCC(=O)N(Cc2cccc(F)c2)CC1 14995280 OOBNSXAKGIUPEP-VOTSOKGWSA-N 318.392 2.599 0 50 DFAA O=C(Nc1cccc(Cl)c1Cl)C(=O)NC1CCCC1 2341162 CYBDSRQOKDTDQT-UHFFFAOYSA-N 301.173 2.991 0 50 DFAA Cc1cc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)on1 1857676284 DUZYVLLXQWHWEZ-UHOSZYNNSA-N 312.413 2.941 0 50 DFAA Cc1cc(Cl)cc2c(N3C[C@@H]4CNC(=O)C[C@@H]4C3)ccnc12 1857685833 WKOZXNBCQIMQLD-NEPJUHHUSA-N 315.804 2.769 0 50 DFAA COCCN1CCC(Nc2ncccc2C(F)(F)F)CC1 301127960 RKRLAPKZZGOUJZ-UHFFFAOYSA-N 303.328 2.623 0 50 DFAA O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1C[C@@H]2CCC[C@H](C1)C2O 225399185 PNLJWRQHWLTZRH-LADIWZGKSA-N 306.450 2.758 0 50 DFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NS(=O)(=O)C1(C)CC1)CC3 333436696 OSYPHDVCWUMKDU-GFCCVEGCSA-N 318.442 2.806 0 50 DFAA Cc1nc(CNC(=O)N2CCC[C@H](Cc3ccccc3)C2)no1 363424109 ORIHPCSIRFYEAG-OAHLLOKOSA-N 314.389 2.542 0 50 DFAA O=C(c1cc(Oc2ccccc2)ccn1)N1CC([C@@H]2CCOC2)C1 377412417 MHVVRSYUMWSNKA-CQSZACIVSA-N 324.380 2.982 0 50 DFAA CC[C@H]1CCCC[C@@H]1NCc1nn2c(=O)cc(C)nc2s1 163324162 GOWWOWQLEGUWDW-RYUDHWBXSA-N 306.435 2.518 0 50 DFAA CNC(=O)Cn1nc(Nc2nc3cc(C)ccc3s2)cc1C 1655340898 IVHQATLAKMQLRO-UHFFFAOYSA-N 315.402 2.599 0 50 DFAA CCc1onc(C)c1CN1CCOc2ccccc2[C@H]1C(=O)O 903931952 ZODVYLVZJVXAFP-INIZCTEOSA-N 316.357 2.566 0 50 DFAA O=C(O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)n2)CC1 2325788216 TUGKQKACHQBRME-JTQLQIEISA-N 302.296 2.787 0 50 DFAA CCCn1c(=O)n(Cc2cc(Cl)n(C)n2)c2ccccc21 863453079 CIJNNBRTPIQXIN-UHFFFAOYSA-N 304.781 2.648 0 50 DFAA Cc1cc(C)n2ncc(C(=O)NCc3ccc(Cl)cc3)c2n1 820989 MXEPVTJXONEJLT-UHFFFAOYSA-N 314.776 2.930 0 50 DFAA Nc1nc(-c2cc3c(cc2Br)OCCO3)cs1 3722603 NRXHZNFSHAOLSS-UHFFFAOYSA-N 313.176 2.926 0 50 DFAA CC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 6701153 YQWWDIBKMRMPII-UHFFFAOYSA-N 312.354 2.723 0 50 DFAA Cc1ccc(-c2nnc3sc(-c4cccnc4)nn3c2=O)cc1 10312522 BONVWKSYBXVXQL-UHFFFAOYSA-N 321.365 2.583 0 50 DFAA CCOC(=O)[C@H]1CCCCN1Cc1coc2ccccc2c1=O 22591156 GTVVDLJQNNQQQL-OAHLLOKOSA-N 315.369 2.711 0 50 DFAA COc1ccc(-c2ncccc2C(=O)N2C[C@H]3CC[C@@H]2C3)cn1 67695850 MZZIBPKWVAQESB-GXTWGEPZSA-N 309.369 2.777 0 50 DFAA CCCCCCc1cccc(NC(=O)CNCCC(=O)O)c1 95704993 JXZQHAWCGSVWRW-UHFFFAOYSA-N 306.406 2.812 0 50 DFAA in-vitro Cc1ccc(NC(C)(C)C(=O)N2CCC[C@]3(CCNC3)C2)cc1 67690339 QUIHLAYGOGBOHK-LJQANCHMSA-N 315.461 2.788 0 50 DFAA O=C(Nc1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1 20427214 NFSHDMANERMFLS-UHFFFAOYSA-N 322.353 2.524 0 50 DFAA CCOC(=O)[C@H](F)Sc1nccn1-c1cccc(OC)c1 253426529 WONPOEFQLAATLJ-GFCCVEGCSA-N 310.350 2.832 0 50 DFAA OCc1cc(Br)ccc1I 34537255 LBMPOOHWJBYWPY-UHFFFAOYSA-N 312.932 2.546 0 50 DFAA CCCc1nc(C(=O)N2CCCC[C@@H]2C(=O)OCC)cs1 65431208 COMHJSVPQBIDAY-GFCCVEGCSA-N 310.419 2.653 0 50 DFAA Cc1nc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c[nH]1 65381930 SBECYLHBYZEKEY-UHFFFAOYSA-N 314.477 2.805 0 50 DFAA COc1cc(C)c(CNC[C@@H]2CCc3nccn3C2)cc1OC 328636927 OJJJPNQWNISTES-AWEZNQCLSA-N 315.417 2.561 0 50 DFAA O=C(c1ccnc(N[C@H]2CC[C@@H]3CCC[C@@H]32)c1)N1CCOCC1 77387580 PCUGDDSQMMMDGK-BPUTZDHNSA-N 315.417 2.545 0 50 DFAA CCc1cc(N2CC(Oc3ccccc3OC)C2)n2nccc2n1 72472857 SRRBUGRQYRQBRE-UHFFFAOYSA-N 324.384 2.568 0 50 DFAA Cc1noc([C@H]2C[C@@H](O)CN2CC[C@@H]2C[C@@H](C)C[C@@H](C)C2)n1 370399484 USQYCPKMTWYLDO-XVLPMQGWSA-N 307.438 2.948 0 50 DFAA CCOCCN1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 72479858 XDFBQKIMJCGKEN-MRXNPFEDSA-N 318.465 2.601 0 50 DFAA Cc1nnc([C@@H]2CN(c3ncc(Cl)cc3Cl)CCO2)o1 376490648 ZGDKZIKTCMVGDB-JTQLQIEISA-N 315.160 2.658 0 50 DFAA CCc1cc(NCc2nc3ccc(F)cc3[nH]2)n2nccc2n1 72478129 SAHDNBLBDWIVOP-UHFFFAOYSA-N 310.336 2.919 0 50 DFAA CCCc1nnc2sc(CCCN3CCCCCC3)nn12 71776955 BUKSKEHRNRPKTQ-UHFFFAOYSA-N 307.467 2.947 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCO[C@H](C2CCC2)C1 333990319 JOKNEGGEOISGON-ABAIWWIYSA-N 305.422 2.548 0 50 DFAA Cc1cnc(C(C)(C)NC(=O)c2c(C)coc2CC(=O)O)s1 262977178 PBBFREXNBGCTBZ-UHFFFAOYSA-N 322.386 2.645 0 50 DFAA COc1cccc([C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]c2)c1 77286568 NSYCXAZJJUMIMR-INIZCTEOSA-N 312.369 2.751 0 50 DFAA O=C(CCc1ccc(O)c(Cl)c1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 239366910 AGSCGBBKWGCYNU-APNQJHFZSA-N 323.820 2.501 0 50 DFAA OC[C@H]1CCCN1c1cc(NCC[C@H]2C[C@H]3CC[C@H]2C3)ncn1 241869065 SUDSSAOIMBNPAE-YHUYYLMFSA-N 316.449 2.676 0 50 DFAA C[C@@H]1CCC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)C1 455879697 DGSNZOJGGYWTRP-DJSGYFEHSA-N 317.385 2.690 0 50 DFAA CCN(CCc1nccs1)C(=O)c1cc(C)cc(C(=O)O)c1 263327298 OXVSLSWYPISPKZ-UHFFFAOYSA-N 318.398 2.855 0 50 DFAA Cc1ccc(C(=O)N2CCN(c3cccnc3)CC2)c(F)c1F 220479591 DAAJQRZIOGTEKH-UHFFFAOYSA-N 317.339 2.631 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C(=O)O 196749721 WWLUZVMSTLIAPR-ZIAGYGMSSA-N 305.374 2.939 0 50 DFAA O=C1CCC[C@@H](Cc2nc(Cc3cccc(Cl)c3F)no2)N1 290191256 TWUOXMRVWVYYPG-JTQLQIEISA-N 323.755 2.664 0 50 DFAA COc1cc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)ccc1C 290822440 WHBMKJYZAGDNGE-AWEZNQCLSA-N 319.792 2.941 0 50 DFAA CCCn1ccnc1CNC(=O)[C@@H](c1cccc(C)c1)N(C)C 92037450 FHBFYHBZCPFWOD-QGZVFWFLSA-N 314.433 2.521 0 50 DFAA CCCOCCNC(=O)N(C)Cc1cccc2cccnc12 426428321 WAFNKYHGDUOJPO-UHFFFAOYSA-N 301.390 2.803 0 50 DFAA CSc1ccccc1-c1ccc(N2CCN(C)CC2)nn1 97514259 TULATTSHYPRLJW-UHFFFAOYSA-N 300.431 2.617 0 50 DFAA CC(=O)Nc1ccc2nc(CN(C)Cc3ccon3)ccc2c1 97413197 GINABWOIMPXOIV-UHFFFAOYSA-N 310.357 2.813 0 50 DFAA Cc1noc(C)c1CCC(=O)NCCSc1ccccn1 97506102 IIOZLPOEQLIXQB-UHFFFAOYSA-N 305.403 2.528 0 50 DFAA Cc1nc(N[C@H](C)c2cn3ncsc3n2)c2cccnc2n1 95370119 XFWQKEALCADNCH-MRVPVSSYSA-N 311.374 2.611 0 50 DFAA O=C(NCCc1cccnc1)c1cnc(Nc2ccccc2)nc1 92036832 QJBVTCDNRLZGJP-UHFFFAOYSA-N 319.368 2.588 0 50 DFAA C[C@@H]1CN(c2nccc(C(F)(F)F)n2)CC[C@@]1(O)C1CCC1 91665144 FSBQQBZJNARQSL-YGRLFVJLSA-N 315.339 2.873 0 50 DFAA CC[C@H](NC(=O)c1c(C)c2ccccc2n1C)[C@H]1C[C@H](O)C1 244899847 ZRJZEYMAOCDCIZ-YDHLFZDLSA-N 300.402 2.766 0 50 DFAA CCOc1ccc(C(=O)N2CCC[C@H](CC(=O)O)CC2)cc1 299741447 DWWQCBOJFDFKEZ-ZDUSSCGKSA-N 305.374 2.802 0 50 DFAA COc1cnc(I)cc1C(F)(F)F 263624857 USUMDARLTYIQMU-UHFFFAOYSA-N 303.021 2.714 0 50 DFAA CCCc1nc(C)c(CNC(=O)Cc2c(C)n[nH]c2C)s1 534636995 KRQSEDVEBANRKY-UHFFFAOYSA-N 306.435 2.603 0 50 DFAA O=C(Cn1cccc1)NC[C@@H](c1ccccc1)N1CCCCC1 299773033 CAMLYTRGKVICKA-SFHVURJKSA-N 311.429 2.832 0 50 DFAA Cc1ccccc1NS(=O)(=O)[C@@H]1C(=O)[C@H]2C[C@H]1C(C)(C)[C@@H]2C 584904289 IENVFXXCBDGHFQ-IATRGZMQSA-N 321.442 2.986 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)c1 630134477 XCJLSLORGUQMCF-BRWVUGGUSA-N 307.349 2.587 0 50 DFAA Oc1cc(CSC(=S)N2CCOCC2)c2ccccc2n1 670432997 RSBRINKWEBULGH-UHFFFAOYSA-N 320.439 2.791 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@@]2(C3CC3)CCCO2)[nH]1 1875288279 VMBZWTVRILUUEG-GOSISDBHSA-N 310.401 2.640 0 50 DFAA Cc1cnccc1[C@@H](C)NCc1ccc2c(c1)CCS2(=O)=O 1875285303 JLUYMVRDJZQMLO-CYBMUJFWSA-N 316.426 2.571 0 50 DFAA COc1ccc(-c2cc(C(=O)N[C@@H]3CCCOCC3)no2)cc1 879392771 YVZSUAWEJZQYSI-CYBMUJFWSA-N 316.357 2.649 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)Nc1ccc2c(c1)C[C@@H](C)O2 885608448 PRNSILYTQAEFSE-LLVKDONJSA-N 313.401 2.932 0 50 DFAA Cc1ccc(CNC(=O)C2(c3cccnc3)CC(F)(F)C2)n1C 1776006872 YEAUONDMZWIZHD-UHFFFAOYSA-N 319.355 2.712 0 50 DFAA FC(F)(F)c1ccnc(N2CCN(c3ccncc3)CC2)c1 301582094 NZEXWZKVTFKGQW-UHFFFAOYSA-N 308.307 2.822 0 50 DFAA O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 280955387 KJMPFPCHZKOGHU-XDYICZGBSA-N 324.783 2.571 0 50 DFAA CCc1ncnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1F 281567095 CIMSXGWJSXPNNB-GXTWGEPZSA-N 305.328 2.630 0 50 DFAA COc1cccc2c1CCN(Cc1cn3ccccc3n1)CC2 193713641 XVNACFOWUBXJAV-UHFFFAOYSA-N 307.397 2.944 0 50 DFAA COc1cc(CN2CCC(Nc3nccs3)CC2)ccc1O 194998053 MMSCCMGYFQITHF-UHFFFAOYSA-N 319.430 2.934 0 50 DFAA Cc1sc(CC(=O)NC[C@H]2CCCO2)nc1-c1ccco1 585089364 HMAYVWFOQYFPTA-LLVKDONJSA-N 306.387 2.549 0 50 DFAA CSc1ccc2nc(N[C@H]3CC(=O)N(C)C3)cc(C)c2c1 1506407826 KAWWDRIATKFBSI-NSHDSACASA-N 301.415 2.908 0 50 DFAA CCC(=O)Oc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 619400 MDQAABULQQIJNA-UHFFFAOYSA-N 313.309 2.983 0 50 DFAA CC[C@H](CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)Oc1cccc(F)c1 110672924 CLHXISWRGDYCKP-DMRZNYOFSA-N 307.365 2.667 0 50 DFAA Nc1cccc2cc(S(=O)(=O)N3CCC[C@H]4C[C@H]43)ccc12 1615587124 JDGKYHZZTMKOEJ-BLLLJJGKSA-N 302.399 2.595 0 50 DFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CCCOCC1 363311484 XVRVUFMNTLCQPL-UHFFFAOYSA-N 304.173 2.865 0 50 DFAA Cc1cccc(-n2ncc3c(N4C[C@H](C)O[C@@H](C)C4)ncnc32)c1 426483 BOVRQWUQMXMDLW-KBPBESRZSA-N 323.400 2.738 0 50 DFAA COC(=O)CCCNC(=O)c1ccc2oc(C(C)C)nc2c1 14953512 UKORXPGWDMOGOV-UHFFFAOYSA-N 304.346 2.634 0 50 DFAA COC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 406894 ZWNAXHWQBFOLGY-NSHDSACASA-N 316.353 2.921 0 50 DFAA biogenic Cc1nc(C)c(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328656916 ZUOFSCCZFUOLDV-RDJZCZTQSA-N 316.474 2.938 0 50 DFAA CCCOc1ccc(NC(=O)N2CC[C@@H]3CNC[C@@H]32)cc1Cl 666886828 FYEQUAVFNYGASW-RISCZKNCSA-N 323.824 2.954 0 50 DFAA CC(C)OC[C@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 372186547 MOGYDHQIQKAZIE-MRXNPFEDSA-N 314.385 2.501 0 50 DFAA C=CC(=O)N(C)CC(=O)Nc1cccc(COC(C)(C)C)c1C 859830649 AXWCPAWDFKAESI-UHFFFAOYSA-N 318.417 2.893 0 50 DFAA Cc1ccc2cccnc2c1CN1CCC(n2cncn2)CC1 2325784320 SYJJXXXJEMVREW-UHFFFAOYSA-N 307.401 2.972 0 50 DFAA C[C@H]1CNCC[C@H]1Cn1cc(-c2nc3ccccc3s2)nn1 2325800564 TXYYKNGMTBXAOQ-RYUDHWBXSA-N 313.430 2.800 0 50 DFAA CCn1ccnc1CNC(=O)N[C@H](C)c1cccc2cc[nH]c12 2325807941 LNOIJRDJNYFZMD-GFCCVEGCSA-N 311.389 2.945 0 50 DFAA O=C(O)C1CC2(CCCN2C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 2325808989 NKITXTOFXGFBLA-IVDFIBCBSA-N 303.402 2.835 0 50 DFAA O=C(O)[C@H]1CS[C@@H](c2ccco2)N1C(=O)CC1=CCCC1 2325812837 LQTIWWRKOZAKSM-RISCZKNCSA-N 307.371 2.807 0 50 DFAA Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1 40571840 FYRFKWOBXWAUTL-UHFFFAOYSA-N 300.742 2.862 0 50 DFAA CN(C)CCCn1ccc(-c2cccc(-c3cnccn3)c2)n1 23153670 YWPREMBTLBYPAG-UHFFFAOYSA-N 307.401 2.959 0 50 DFAA COC[C@@]12COC[C@@H]1CN(c1ccnc3cc(Cl)ccc13)C2 2356149777 AYQKJFRMNSLVLJ-SJCJKPOMSA-N 318.804 2.987 0 50 DFAA O[C@H](CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)c1ccc(F)cc1 247031568 YKYQELFZTIEMET-KFKAGJAMSA-N 318.436 2.808 0 50 DFAA Cc1c(C)n(CCN(C)C)c2ncnc(NCc3ccncc3)c12 9422158 DCUQAOPSXVPMRB-UHFFFAOYSA-N 324.432 2.617 0 50 DFAA Cc1ccc(NC(=O)CC(=O)N(C)Cc2cc(C)no2)c(C)c1 55109188 RAFBYLNDUCHXQO-UHFFFAOYSA-N 315.373 2.587 0 50 DFAA Cc1nnc(NC(=O)N2CCCN(c3ccccc3)CC2)s1 55243930 HTUFSFQSHWUKGW-UHFFFAOYSA-N 317.418 2.591 0 50 DFAA Cc1ccc(CCNC(=O)CCc2ccc(N(C)C)cc2)o1 29472873 VOIWQLPGSZINTH-UHFFFAOYSA-N 300.402 2.946 0 50 DFAA CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CCCNC3)C2)cc1 67674696 PWGUWMPVBDDIJT-QGZVFWFLSA-N 322.474 2.574 0 50 DFAA OC1CCN(c2ccnc(NCc3ccc(Cl)cc3)n2)CC1 65399141 NEKZDUWPQRBSCA-UHFFFAOYSA-N 318.808 2.703 0 50 DFAA Cc1cccc2c1nc(COCC(=O)O)n2-c1cccs1 67712583 NOWNOARGCMBAJJ-UHFFFAOYSA-N 302.355 2.997 0 50 DFAA CCc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCO2)s1 62193436 WOCSRVGLFCBWKW-GFCCVEGCSA-N 317.476 2.890 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)no1 252491887 LYJDXAONVGDYMT-JQWIXIFHSA-N 323.393 2.501 0 50 DFAA CN(C(=O)c1ccnc2c1nnn2C)[C@@H]1CCC[C@@H]1C(C)(C)C 333101755 CJRBVCMCFHLQBN-QWHCGFSZSA-N 315.421 2.650 0 50 DFAA CCCOc1c(OC)cccc1-c1nc2c([nH]1)CCCNC2=O 65430940 QISGOIJULHOGTF-UHFFFAOYSA-N 315.373 2.550 0 50 DFAA Cc1ccc2c(c1)c(CN[C@@H](C)Cn1nc(C)cc1C)nn2C 67822118 HLUCEZXLZQHMEO-AWEZNQCLSA-N 311.433 2.873 0 50 DFAA CC(C)C[C@H](C(=O)O)N1C(=O)c2cccc3cccc(c23)C1=O 4294110 QCTRFEAQMSEZIE-CQSZACIVSA-N 311.337 2.935 0 50 DFAA biogenic,in-vitro CCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 236900615 XKLZQYQLIKENOA-ZDUSSCGKSA-N 305.374 2.802 0 50 DFAA Cc1noc(C)c1NC(=O)N1CCC[C@](O)(C(F)(F)F)CC1 331401992 DEIBPFLEBIJVTR-GFCCVEGCSA-N 321.299 2.603 0 50 DFAA CC(=O)N(C)c1ccccc1NC(=O)c1ccc(C(=O)O)cc1 237111605 ZXEYVDAQFDFDSQ-UHFFFAOYSA-N 312.325 2.620 0 50 DFAA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1nc(C(C)(C)C)n[nH]1 331756316 AQQWXJWHGBIHEQ-DOMZBBRYSA-N 314.433 2.926 0 50 DFAA O=C(c1ccc(Cn2cccn2)o1)N1CCC[C@H]1c1ccccn1 77376048 VJEOXZLXXIWZRP-INIZCTEOSA-N 322.368 2.897 0 50 DFAA CCOC(=O)CCN(Cc1ccccc1)[C@H](C)CC(=O)OCC 72193742 IIGVDNNGQSLPPC-OAHLLOKOSA-N 321.417 2.784 0 50 DFAA C[C@H]1CCOCCN1C(=O)c1cc(-c2ccc(F)cc2)on1 362235014 GWHBROFVDUCTDX-NSHDSACASA-N 304.321 2.732 0 50 DFAA O=C(Nc1ccccc1OCC1CC1)N1C[C@@H]2CC[C@H](C1)O2 365710893 JXMYUBLTUPVWNK-OKILXGFUSA-N 302.374 2.871 0 50 DFAA CC(=O)N[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C(C)C 77470419 JKUYPFWALLNABL-QWHCGFSZSA-N 315.339 2.697 0 50 DFAA c1ccc(-c2n[nH]c3c2CN(CCCn2cccn2)CC3)cc1 15066879 ZDXGHIUEMFPJLT-UHFFFAOYSA-N 307.401 2.722 0 50 DFAA CCn1cc(C(=O)N2CCC[C@H]2Cn2cncn2)c2ccccc21 369779577 WVUQOCVNBGWVGK-AWEZNQCLSA-N 323.400 2.558 0 50 DFAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1SC(Cl)(Cl)Cl 13493740 LDVVMCZRFWMZSG-WDSKDSINSA-N 300.594 2.914 0 50 DFAA biogenic,in-vitro CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)c2ccc(F)cc21 174446082 JNHDHKLHLVGFLL-UHFFFAOYSA-N 300.337 2.523 0 50 DFAA O=C(c1ncccc1Oc1ccccc1)N1CC([C@H]2CCOC2)C1 374203455 DAMPNOPXHWPCJO-AWEZNQCLSA-N 324.380 2.982 0 50 DFAA O=S(=O)(N1CCCCCC1)N1CCCC[C@@H]1c1ccccn1 72154698 JJESCEYPXZIKRX-MRXNPFEDSA-N 323.462 2.729 0 50 DFAA O=C(CCc1ccco1)N1CCC[C@H](OCc2ccccn2)C1 82127158 QKFHQCIUZPDPQE-KRWDZBQOSA-N 314.385 2.815 0 50 DFAA O=C1NCCc2c1ccn2Cc1ccc(F)cc1Br 40449976 NINADCQRLPCALD-UHFFFAOYSA-N 323.165 2.724 0 50 DFAA CC(=O)Nc1ccc(-c2cn([C@H](C)Cc3cc(C)n[nH]3)nn2)cc1 82127025 DVSGVSJPCXTQQB-GFCCVEGCSA-N 324.388 2.739 0 50 DFAA Cc1nnc(CN(C)C(=O)NCC2C3CC4CC(C3)CC2C4)o1 426658201 JKNWOKBNFUDMBE-UHFFFAOYSA-N 318.421 2.592 0 50 DFAA Cc1cc(C)c2c(CC(=O)N3CCn4cncc4C3)coc2c1 426689322 UXHWEMRNFWIVSK-UHFFFAOYSA-N 309.369 2.831 0 50 DFAA COc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 239159597 MKLRNASUCHPLJG-NILFDRSVSA-N 305.374 2.763 0 50 DFAA NC(=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1Cl 96150144 MQNUGFWQVGURPG-UHFFFAOYSA-N 316.788 2.943 0 50 DFAA O=C(c1ccsc1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91691417 WLGQVKZPMRZANA-HNNXBMFYSA-N 301.411 2.945 0 50 DFAA C1=C2CCO[C@@H]3CCN4c5ccccc5[C@]56CCN1[C@H]5C[C@H]2[C@@H]3[C@H]46 253588786 SJSSKICDPRUNRW-BXIYESCSSA-N 320.436 2.914 0 50 DFAA CC(C)[C@@H]1C=CCN1C(=O)c1ccc(N2CCOCC2)cc1 252509648 YTAFAUDWXIAERT-KRWDZBQOSA-N 300.402 2.560 0 50 DFAA CCOc1cncc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1 621731913 FXFGDNFHRAPGNQ-JSGCOSHPSA-N 318.339 2.616 0 50 DFAA CCNC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)c(C)c2)C1 299771373 VTSHAFHDUQQYBH-NSHDSACASA-N 309.797 2.638 0 50 DFAA c1ccc2c(c1)CCN(CCNCc1cccc3cn[nH]c13)C2 952845392 IDBBVKPBZMPREK-UHFFFAOYSA-N 306.413 2.711 0 50 DFAA COC(=O)c1ccc(-c2noc(C(C)(C)c3cnc[nH]3)n2)cc1 952882397 LZGMNMHJQYUINK-UHFFFAOYSA-N 312.329 2.572 0 50 DFAA Cc1cc(C)cc(CNC(=O)N2CC[C@]3(C2)OC[C@H]2C[C@H]23)c1 1875303515 BVFQMKZJXUJKCU-JFIYKMOQSA-N 300.402 2.624 0 50 DFAA O=C(C[C@@H]1CC[C@H](C2CC2)O1)NC12CCC(C(=O)O)(CC1)CC2 1875304632 PWRZAXLBSAHBSG-BULQSVBWSA-N 321.417 2.628 0 50 DFAA CCOc1cc(CN2C[C@@H](O)[C@H](F)C2)cc(Cl)c1OCC 952966242 FFGKHMCXMOMQQB-CHWSQXEVSA-N 317.788 2.652 0 50 DFAA COc1ccc(C2CC2)cc1CNC(=O)N[C@H]1CCO[C@@H]1C 883542494 LWBWTKOMLIKMFB-ABAIWWIYSA-N 304.390 2.549 0 50 DFAA C[C@@H](NC(=O)Cn1cnc2ccccc21)c1ccc2c(c1)CCO2 887331795 GSYHZPCUVDRXSX-CYBMUJFWSA-N 321.380 2.849 0 50 DFAA CCOc1cncc(CN2CCOC[C@H]2c2nc(C)cs2)c1 888100668 CZOBJZGHZCVMMR-HNNXBMFYSA-N 319.430 2.819 0 50 DFAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1c[nH]nc1C1CC1 890456726 MWFWKKKAAAKWAC-UHFFFAOYSA-N 321.384 2.949 0 50 DFAA Cc1csc(C(=O)NC2CC(Cn3ccnn3)C2)c1Cl 1776004545 TVVNEYGHNZXPTK-UHFFFAOYSA-N 310.810 2.510 0 50 DFAA COc1cc2c(cc1NC(=O)N1CCC[C@@H]1C)NC(=O)CC2 274495771 RQTOGENNPAKNIH-JTQLQIEISA-N 303.362 2.596 0 50 DFAA Cc1cc(C)c2c(c1)N(CC(=O)NC(=O)NC(C)(C)C)CCC2 170620659 QMTMTUMCJGLNRQ-UHFFFAOYSA-N 317.433 2.680 0 50 DFAA CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074545315 NKLAYJXYTKLRLH-GVDBMIGSSA-N 315.413 2.626 0 50 DFAA COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(Cl)cc1OC 187635738 RZPNEKIVENMALY-OAHLLOKOSA-N 311.765 2.516 0 50 DFAA Cc1c(NC(=O)Cc2ccoc2)c(=O)n(C2CCCCC2)n1C 585130246 LCXFUZIBXSLIOM-UHFFFAOYSA-N 317.389 2.775 0 50 DFAA O=C(c1cc(C2CC2)no1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225667628 WQINDQLQVJDJHY-HIFRSBDPSA-N 316.332 2.639 0 50 DFAA C[S@](=O)c1nncn1CCc1cc(Cl)cc(Cl)c1 194605936 YNQQMKFNOMEXHM-SFHVURJKSA-N 304.202 2.565 0 50 DFAA CC1(C)[C@@H](N=c2nc(-c3ccncc3)[nH]c3ccccc23)C[C@H]1O 777808918 NTMBVHRCAQNZON-JKSUJKDBSA-N 320.396 2.685 0 50 DFAA COc1ccc(NC(=S)N2C[C@H](C)O[C@@H](C)C2)cc1OC 611724 FQWSSOWFPWBKQM-QWRGUYRKSA-N 310.419 2.510 0 50 DFAA COc1cccc(-c2cnc(CN3CCC[C@@H]3CC(=O)O)o2)c1 1615053309 LVWHUUBLOVKMJI-CYBMUJFWSA-N 316.357 2.789 0 50 DFAA FC(F)(F)[C@@H]1[C@H](c2nc(-c3cccnc3)no2)[C@H]2CC[C@H]1O2 1615552240 SPUGBGDXOHBBND-DBIOUOCHSA-N 311.263 2.955 0 50 DFAA O=C(c1ccc2scnc2c1)N1CCC[C@H](C2(O)CC2)C1 1772804431 OWDDPRGGMKFEOY-LBPRGKRZSA-N 302.399 2.673 0 50 DFAA O=C(Cn1c(NCCCO)nc2ccccc21)c1cccs1 2941177 UIYDTFPGWFNLBE-UHFFFAOYSA-N 315.398 2.775 0 50 DFAA aggregator CN(C[C@@H]1CCCCN1C)C(=O)c1cccc(OC(F)F)c1 19143705 CQTIMEWBRHGJDC-ZDUSSCGKSA-N 312.360 2.844 0 50 DFAA O[C@@H](CN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 19801786 GCQXUSARUMZBOU-IBGZPJMESA-N 314.404 2.677 0 50 DFAA CCOc1cccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)c1 6664170 MMXWODAPXGPOLP-OAHLLOKOSA-N 307.357 2.722 0 50 DFAA CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1CC 4970430 ZWWIYXXWBLIQRI-UHFFFAOYSA-N 306.387 2.844 0 50 DFAA O=C(NC1(c2cc(F)ccc2F)CC1)[C@@H]1CCn2nccc2C1 1857740214 DSVNMQAUFVYVOK-LLVKDONJSA-N 317.339 2.529 0 50 DFAA Cc1cc(N2CCc3nn(C)c(-c4ccccc4)c3CC2)ncn1 1857695269 BWGFHSPLTRGVHN-UHFFFAOYSA-N 319.412 2.791 0 50 DFAA CC[C@@H](C)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)on1 236892376 ZSVGJZANCQTINK-YGRLFVJLSA-N 302.330 2.744 0 50 DFAA COC(=O)[C@H]1CCc2nnc(CCC3CCCCC3)n2CC1 601045399 XQLNVVJSTOJWMO-AWEZNQCLSA-N 305.422 2.917 0 50 DFAA O=C(c1cc(Cl)c[nH]1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225539514 QLXWVACQYJYDAU-GXTWGEPZSA-N 308.740 2.755 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N[C@]3(C)CCO[C@@H]3C)cc2)n1 331675316 QWPOFSVFWRHXIW-RDTXWAMCSA-N 313.401 2.786 0 50 DFAA Cc1cscc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 373271197 CUXXXFDIJNNMCW-ZBFHGGJFSA-N 308.447 2.893 0 50 DFAA OC[C@H](O)C1CCN(Cc2cc(F)c(Cl)cc2Cl)CC1 1772815970 FKFXVWGDTQSBMD-AWEZNQCLSA-N 322.207 2.698 0 50 DFAA CC[C@H](C)C[C@@H](NCc1ccc(N(C)C(C)C)nc1)C(=O)O 901683517 RPOVLPNHBNCJCH-DZGCQCFKSA-N 307.438 2.905 0 50 DFAA Cc1nc(N)c2c(C)c(C(=O)N3CCC[C@@H]4C[C@H]43)sc2n1 804293133 KGXSDDMBVSCVIL-NXEZZACHSA-N 302.403 2.515 0 50 DFAA O=C(CC1CCCCCC1)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910619555 JPQXIBBTCZTIPW-CSLYMUCUSA-N 323.433 2.876 0 50 DFAA CC1=NO[C@H](CNc2nc(-c3cccnc3)nc3c2CCC3)C1 853661407 UZIKSMGNTLFLEC-ZDUSSCGKSA-N 309.373 2.604 0 50 DFAA Cc1nc(NC(=O)[C@@H](c2ccccc2F)N(C)C)nc(C)c1C 2100534317 CKRBBQKIVSFKBR-OAHLLOKOSA-N 316.380 2.782 0 50 DFAA Cc1cnc(Nc2ccccc2N2CCOC2=O)nc1N(C)C 2100537579 QLPUNRGCJZGIHB-UHFFFAOYSA-N 313.361 2.551 0 50 DFAA CC[C@@H](C)Cc1nc(-c2ccnn2C(C)C)n(CCCO)n1 2100545462 WMTMVFBTTRHORF-CYBMUJFWSA-N 305.426 2.694 0 50 DFAA O=C(Nc1c2n(cnc1=S)CCN2)c1ccc(Cl)cc1 2050024983 LOPNIKIHDBHTSK-UHFFFAOYSA-N 306.778 2.944 0 50 DFAA Cc1cc([C@@H]2CCCCN2C(=O)c2ccc3cncn3c2)n[nH]1 2325774312 HRDANFTYDYFECK-INIZCTEOSA-N 309.373 2.733 0 50 DFAA O[C@@]1(C(F)(F)F)CC[C@H](CNCc2ccnc3[nH]ccc23)C1 2325789900 VSRNZVXTCGYVRJ-HZMBPMFUSA-N 313.323 2.746 0 50 DFAA Cc1c(C(=O)Nc2ccc3occc3c2)cnn1CCN(C)C 2325804773 OPPWEFJYEPQRRT-UHFFFAOYSA-N 312.373 2.752 0 50 DFAA O=S(=O)(Nc1cccc2nonc12)c1sccc1C1CC1 2325866391 JHDCZQFCUCBDOS-UHFFFAOYSA-N 321.383 2.963 0 50 DFAA Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C(=O)O)cc1F 2325873714 QUCRZFSYUZHHSI-ZBFHGGJFSA-N 313.328 2.862 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 864917407 IRSAMZMANPBBKZ-JKSUJKDBSA-N 314.385 2.595 0 50 DFAA c1ccc(-n2ncc3c(N[C@@H]4C[C@H]5CC[C@H]4O5)ncnc32)cc1 110680695 OUFVUHRKTXUPRH-BPLDGKMQSA-N 307.357 2.547 0 50 DFAA CC(C)c1cc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc(O)n1 121543262 CNJADAPHRFICKT-WQVCFCJDSA-N 318.417 2.796 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 93305 QVPXGCCMUGUITN-LBPRGKRZSA-N 303.358 2.900 0 50 DFAA O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccc(F)cc1 9060992 LEIGFPDMVUOBIE-ZDUSSCGKSA-N 300.289 2.554 0 50 DFAA COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 248268675 UPQFLISLJSPBBE-WCFLWFBJSA-N 321.348 2.679 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)N3C[C@@H](F)C[C@H]3CO)oc12 347408040 IOPDTMGQWJUTOC-STQMWFEESA-N 305.349 2.903 0 50 DFAA Cc1ccnc(-n2nccc2NC(=O)[C@H](C)Oc2ccccc2)c1 135702967 VTWVSASGWNYABC-AWEZNQCLSA-N 322.368 2.982 0 50 DFAA CN(C(=O)c1ccccc1NC(=O)C(C)(C)C)C1CCOCC1 20878063 OJJSDYAXICLNRW-UHFFFAOYSA-N 318.417 2.922 0 50 DFAA COc1ccccc1CN1CCN(CCC(C)C)[C@@H](CCO)C1 20452800 LVYLQYWJRJCXLR-SFHVURJKSA-N 320.477 2.610 0 50 DFAA Cc1ccc(Cn2cc(C=O)cc(Br)c2=O)cc1 12336583 INPBOLWUAJEPLC-UHFFFAOYSA-N 306.159 2.780 0 50 DFAA CN(Cc1ccncn1)C(=O)[C@]1(c2ccccc2F)CC1(C)C 20387919 BZLZODUCJPYFCP-GOSISDBHSA-N 313.376 2.942 0 50 DFAA O=C(c1cc(C2CC2)on1)N1CCC([C@H]2CCCOC2)CC1 252537066 KFHDETVKIMOLLU-AWEZNQCLSA-N 304.390 2.831 0 50 DFAA O=c1[nH]c2cc3c(cc2cc1CN1Cc2ccccc2C1)OCO3 67834241 WLLBTBXREQTABV-UHFFFAOYSA-N 320.348 2.773 0 50 DFAA C[C@H](CC1CCOCC1)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 328647563 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308.179 2.950 0 50 DFAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2oc(C)cc2C)c1 282497811 MXCXXACZSOWTDR-GOEBONIOSA-N 315.369 2.853 0 50 DFAA C[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)C[C@H]1CO 189097717 GOXQLNUUVOIPAS-MXWKQRLJSA-N 314.788 2.810 0 50 DFAA O=C(CCN1C[C@H]2CCC[C@@H](C2)C1)NCc1ccccc1F 1076070779 QXUZCVKKIDJULH-GJZGRUSLSA-N 304.409 2.954 0 50 DFAA Cn1cccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1 585131119 MFAXAWSLXSFAOS-UHFFFAOYSA-N 301.346 2.628 0 50 DFAA CC(C)(C)c1nc2cc(NC(=O)N[C@H]3CCOC3=O)ccc2o1 585120073 OMCGFOPCNIGMLH-JTQLQIEISA-N 317.345 2.562 0 50 DFAA CC(C)[C@H]1CN(c2nc(-c3ccccn3)nc3c2CCC3)CCO1 679194572 WPJRABNSCFTXRQ-QGZVFWFLSA-N 324.428 2.889 0 50 DFAA CC(C)N1CCN(CCCN2CCc3sccc3C2)CC1 191402779 ZECDSLHIODAWPF-UHFFFAOYSA-N 307.507 2.522 0 50 DFAA Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@@H]2CCN[C@@H]2C1 647534973 ZMMWMOHBDTWJCF-KBXCAEBGSA-N 314.408 2.504 0 50 DFAA COc1cccc([C@H](NC(=O)c2csc(C)c2C)C(=O)O)c1 659175248 MCRXFEJOUMQSOS-AWEZNQCLSA-N 319.382 2.929 0 50 DFAA 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CC1(C)CN[C@H]1C1CCN(CCC(=O)Nc2ccccc2)CC1 952877085 LNEVWBVRNYJWBF-SFHVURJKSA-N 315.461 2.725 0 50 DFAA Cc1ccccc1[C@H]1C[C@H](N=c2nc(C3CCOCC3)[nH][nH]2)C1 1875280693 WUVPHMSLUHJUCH-SHTZXODSSA-N 312.417 2.787 0 50 DFAA O=C(O)c1cn(CC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c2ccccc12 1875270936 OKERWERXMPBJEY-LFPKGMGHSA-N 324.380 2.596 0 50 DFAA COc1ccc2sc(CN3CCO[C@@H](CC(=O)O)C3)cc2c1 1875283199 JKNQULXZYIDMOG-ZDUSSCGKSA-N 321.398 2.585 0 50 DFAA O=C(/C=C/c1cc(CO)cs1)N1CCc2sccc2C1 952980585 PYOJDPKFOUTCCP-OWOJBTEDSA-N 305.424 2.900 0 50 DFAA Cc1ccc(Cl)c(CNCCN2CCC[C@H](CO)C2)c1F 952982097 ZHXANQGUQYNVJV-ZDUSSCGKSA-N 314.832 2.581 0 50 DFAA CC(=O)N[C@@H](C)Cc1nc(-c2ccco2)nn1-c1ccccc1C 952985083 TVPDQSCRCFNRMY-ZDUSSCGKSA-N 324.384 2.903 0 50 DFAA Cc1ccnc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)n1 887791001 ZBYZDYDPDVVRLL-IBGZPJMESA-N 321.380 2.866 0 50 DFAA Cc1cnn(C[C@H](C)NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 888094250 BGWDTYXBTFHYRO-JKSUJKDBSA-N 316.449 2.966 0 50 DFAA CC(C)c1nc(C2(NC(=O)CCCCCCN)CCCC2)no1 888096028 HPPVSAYCYQTZJW-UHFFFAOYSA-N 322.453 2.988 0 50 DFAA COc1cccnc1CC(=O)N1COCC[C@H]1c1ccccc1 888192448 MOOHKDDOFSUMFT-INIZCTEOSA-N 312.369 2.580 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)n[nH]1 1775999046 NBFFQSAUPWVFFW-ZDUSSCGKSA-N 304.781 2.673 0 50 DFAA CC(C)(C)c1nccn1CC(=O)N[C@H]1CCOc2ccccc21 1775991396 KXKFTJDMXRRRPB-AWEZNQCLSA-N 313.401 2.821 0 50 DFAA CC(=O)c1c(F)cccc1N1CCC(Cn2cncn2)CC1 274977824 BDTDZWNBFZEENG-UHFFFAOYSA-N 302.353 2.536 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H](C)c1cccs1 275370800 PJYWKMBYRXKCMR-DYEKYZERSA-N 319.430 2.714 0 50 DFAA CCOCCONC(=O)c1ccc(C2SCCS2)cc1 170598903 FBXUSPABDZQMNZ-UHFFFAOYSA-N 313.444 2.863 0 50 DFAA CN(CC(=O)O)[C@H]1CCCN(C(=O)C2CCCCCCC2)CC1 186668354 USJOQTCKNWAQRX-INIZCTEOSA-N 324.465 2.744 0 50 DFAA Cc1ncc([C@H](C)NC(=O)NCc2cccc(C(=O)O)c2)s1 635518521 DJCXXMOPEVXTKD-VIFPVBQESA-N 319.386 2.710 0 50 DFAA CCSc1cc(CNC(=O)N2C[C@H](C)O[C@H](C)C2)ccn1 188375334 GFGNVOJAHCQNLP-TXEJJXNPSA-N 309.435 2.512 0 50 DFAA C[C@@H]1CCCC[C@H]1CN1CCC([C@@H](O)c2nccn2C)CC1 221802405 FXJNKQRFNIKYOJ-HYVNUMGLSA-N 305.466 2.992 0 50 DFAA O=C(c1cc(Cl)c[nH]1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225682706 VHCOKALUPWIREG-TZMCWYRMSA-N 308.740 2.755 0 50 DFAA CCN1CC[C@H](CN(CC)C(=O)Cc2nc3ccccc3o2)C1 1506406578 FBBWKHNZVREYND-AWEZNQCLSA-N 315.417 2.561 0 50 DFAA CN(C)c1nc(NCc2nc3ccc(Cl)cc3[nH]2)ncc1F 1529091817 RDDQDBMDBIDRNY-UHFFFAOYSA-N 320.759 2.824 0 50 DFAA CC[S@](=O)[C@@H]1CCC[C@H](NCc2cnccc2Cl)C1 1616034534 IDKOSUYPSOBSSI-QUJCMNEKSA-N 300.855 2.904 0 50 DFAA CCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)n1 12552652 ZVORNDANCGKYPJ-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA CCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)nc2C)cc1 13533814 WGHVJWQIEALZAF-LLVKDONJSA-N 302.378 2.883 0 50 DFAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1 4970393 SXLOXVGSMMFQBV-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA COc1cc(S(=O)(=O)Nc2cccc(C)n2)c(OC)cc1C 4970520 ZBTISTFNBCDLIX-UHFFFAOYSA-N 322.386 2.516 0 50 DFAA COc1cc(-c2nccn2CC[C@@H]2CCOC2)cc(OC)c1O 1857720830 MQRIBSJJTLJLEK-GFCCVEGCSA-N 318.373 2.700 0 50 DFAA CC(C)n1cnnc1CNC(=O)Nc1nc2ccccc2s1 133852001 HTMGPHYJTFIOHR-UHFFFAOYSA-N 316.390 2.790 0 50 DFAA CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 221968827 YGTGNUDSKJTOEB-SQWLQELKSA-N 322.405 2.629 0 50 DFAA COc1ccc(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)nn1 416099086 JEEBFJZYOOHCSX-UHFFFAOYSA-N 318.402 2.709 0 50 DFAA O=C(N[C@@H]1CCNC1)c1csc(-c2ccccc2Cl)n1 126639034 UGIBTCOOAYTQHG-SECBINFHSA-N 307.806 2.555 0 50 DFAA Cc1ccccc1-c1cnnc(N(C)CC2CCN(C)CC2)n1 12717925 YSRVVOCPQGWLJH-UHFFFAOYSA-N 311.433 2.625 0 50 DFAA COc1ccc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc1Cl 247916470 WCSLOFXSTSPZLA-OLZOCXBDSA-N 309.793 2.891 0 50 DFAA O=C(c1ccc(C(F)(F)F)cn1)N1CCC[C@@H](c2ncc[nH]2)C1 263943719 KLNHSQJVKIVIOM-SNVBAGLBSA-N 324.306 2.843 0 50 DFAA FC(F)(F)c1cncc(CN2CC[C@@H](Nc3ncccn3)C2)c1 903023276 NRIYHVBKBXXVLT-CYBMUJFWSA-N 323.322 2.577 0 50 DFAA O=C(c1ccccc1C1CCC1)N1CCO[C@@H](c2ncon2)C1 935330157 GZXNRACJNVWMEJ-OAHLLOKOSA-N 313.357 2.551 0 50 DFAA CNC[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 237296710 IJGUCNHKHLOLHD-LLVKDONJSA-N 315.244 2.994 0 50 DFAA Cc1cc(CNC2(CNC(=O)OC(C)(C)C)CCCC2)nn1C 767898235 DHHBLESVBGTIAE-UHFFFAOYSA-N 322.453 2.656 0 50 DFAA C[C@@H](CN1CCO[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1 215602055 AWCBWNKABFQCRC-GUYCJALGSA-N 303.381 2.736 0 50 DFAA OCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 2840047 VBWTXRISKRSIFJ-UHFFFAOYSA-N 322.372 2.763 0 50 DFAA COC(=O)c1cc(C)c2cc(C(=O)N3CCCCC3)[nH]c2c1 2325772301 USUGBOOMVKBDDV-UHFFFAOYSA-N 300.358 2.889 0 50 DFAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 262475 AQCMBTCAMDCXQW-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA COc1cccc(NS(=O)(=O)c2ccc3nsnc3c2)c1 302920 MNZASNTVAVLMIN-UHFFFAOYSA-N 321.383 2.501 0 50 DFAA COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccccc1 583249 OCZIPGGXLKNVJE-UHFFFAOYSA-N 305.399 2.824 0 50 DFAA COc1cccc(CNCCc2ccc3c(c2)OCO3)c1OC 2470881 JLTFAWOGGLXAFU-UHFFFAOYSA-N 315.369 2.765 0 50 DFAA biogenic O=C(c1cccc2c1COC2)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356165502 BRVNJXFTPQFHFA-QFBILLFUSA-N 323.392 2.707 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)cc1 4600622 VLSIQIOHIRWTTR-GFCCVEGCSA-N 315.325 2.556 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1 134561097 NGNZYPSEFIQGNN-KGLIPLIRSA-N 314.414 2.849 0 50 DFAA CNC(=O)c1cccc(NC(=O)C[C@H]2OCCc3ccccc32)c1 115007164 RVFLWBMJQAJICP-QGZVFWFLSA-N 324.380 2.689 0 50 DFAA COc1cc(OC)c(C(=O)Nc2ncc(C)s2)cc1OC 9496818 FHNIHGWTMPWMPH-UHFFFAOYSA-N 308.359 2.730 0 50 DFAA COCCN(Cc1ccc(C)cc1)Cc1cnc2nccn2c1 55403978 MTCBWFOZTOWPTO-UHFFFAOYSA-N 310.401 2.686 0 50 DFAA Cc1nc2ccccc2n1[C@H]1CC(=O)N(Cc2ccccc2)C1=O 101411271 HEUFLGWGDPJSCB-KRWDZBQOSA-N 319.364 2.845 0 50 DFAA COCCCCCC(=O)N1CCN(Cc2cccc(F)c2)CC1 55226876 KZSOADQPZDZLHD-UHFFFAOYSA-N 322.424 2.677 0 50 DFAA COc1cccc2c1OC[C@H](C(=O)N1CCc3ccccc3C1)C2 65372121 SMHOQAZNCQVPOC-QGZVFWFLSA-N 323.392 2.831 0 50 DFAA Cc1cc(-c2nccn2CCN2CCCC[C@H]2CO)oc1C 67856162 IIHBQPHXFJHMSN-HNNXBMFYSA-N 303.406 2.607 0 50 DFAA Cn1cncc1-c1nccn1-c1ccccc1OC[C@H]1CCCO1 67847405 IVWVONOKFVCMAE-CQSZACIVSA-N 324.384 2.831 0 50 DFAA CCOC[C@H]1CCCN(C(=O)CCc2ccc(C(=O)O)cc2)C1 236977296 CISLFJIFGPIMJK-HNNXBMFYSA-N 319.401 2.593 0 50 DFAA COc1ccc(F)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1 237168569 QAKZMUNJUYWUCV-LLVKDONJSA-N 309.337 2.551 0 50 DFAA COc1ccc(-n2cccn2)c(CN(C)CCc2ccccn2)c1 216071942 SYQMMQHWPJYTDZ-UHFFFAOYSA-N 322.412 2.950 0 50 DFAA CCn1c(NC(=O)[C@@](C)(O)C2CCC2)nc2cc(C)ccc21 362981821 YSYRVLRHDZWVAS-KRWDZBQOSA-N 301.390 2.854 0 50 DFAA CC(C)Nc1ncccc1C(=O)N1CCC[C@H](OCC2CC2)C1 364462703 PTZKDRUECVEEEI-HNNXBMFYSA-N 317.433 2.933 0 50 DFAA COc1ccc(N(C)C(=O)c2csc([C@@H]3CCCO3)n2)cn1 123187907 NYPBVNCPEXQFDD-LBPRGKRZSA-N 319.386 2.675 0 50 DFAA Cc1n[nH]cc1C(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 373750836 IEPSNWDPIHCQOO-CQSZACIVSA-N 323.400 2.620 0 50 DFAA C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)Cc1ccoc1 130401947 ZGOBAQACHSLFMS-JSGCOSHPSA-N 322.405 2.726 0 50 DFAA COc1ccccc1CCCNc1nc(C)nc2c1cnn2C 72127323 PGPNWEPNUWOCNO-UHFFFAOYSA-N 311.389 2.725 0 50 DFAA O=S(=O)(N1CCC[C@@H]1c1ccco1)N1CCC[C@@H]2CCC[C@H]21 241132744 JLIZSUQLJXKLCR-RRFJBIMHSA-N 324.446 2.926 0 50 DFAA Cn1cc(C(=O)N2CCC[C@@H](CO)CC2)c2cc(F)ccc21 340998950 STAKRKNVVZNYLG-GFCCVEGCSA-N 304.365 2.552 0 50 DFAA c1ccc(-c2nc(=NCC34CCCN3CCC4)s[nH]2)cc1 343097565 UYOXNTYNZXXGGX-UHFFFAOYSA-N 300.431 2.667 0 50 DFAA Cc1ccccc1-n1c(CN)nnc1SC[C@H]1CCCOC1 426658478 PMSPGWMPCXSHEI-ZDUSSCGKSA-N 318.446 2.553 0 50 DFAA CCN(Cc1nccn1C)C(=O)c1ccccc1OC(F)F 220415193 MFAYGUYROSIGDC-UHFFFAOYSA-N 309.316 2.684 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCn2cccc2[C@H]1C 179399766 ALNHJFUUAWYSCM-BXUZGUMPSA-N 300.406 2.925 0 50 DFAA O=C(O)c1cc(C(=O)O)c(Br)cc1Br 25490549 UDCSURCKPULYEL-UHFFFAOYSA-N 323.924 2.608 0 50 DFAA CN(C)C(=O)c1cccnc1C[C@H]1CCOc2ccccc2C1 95523112 GFMQUBHCTGVGKD-AWEZNQCLSA-N 310.397 2.967 0 50 DFAA COCc1ccc(C(=O)N2CCc3ccc(OC)cc3CC2)o1 95392819 LNSJKDVMUNOYBG-UHFFFAOYSA-N 315.369 2.676 0 50 DFAA CCN(CC)[C@@H]1CCN(C(=O)c2cc(CC(C)C)nn2CC)C1 91794318 PVWMYPARQHYPHK-MRXNPFEDSA-N 320.481 2.658 0 50 DFAA O=C(c1cnc2c(c1)CCCC2)N1CCN[C@H](c2ccccc2)C1 97784794 GNMBGOYUTVHCCH-IBGZPJMESA-N 321.424 2.747 0 50 DFAA O=C(NCCn1cccc1)C1CCN(C2CCCCC2)CC1 95353274 KZZGLQMSKABVJA-UHFFFAOYSA-N 303.450 2.649 0 50 DFAA COCCN1CC2(CCC1=O)CCN(C[C@@H]1CC=CCC1)CC2 91594867 LQDJCDPAXCQERS-QGZVFWFLSA-N 320.477 2.694 0 50 DFAA C[C@H](c1nc(C2(c3ccc(F)cc3)CCC2)no1)n1cncn1 621809646 GTEBANRCHKKNRQ-LLVKDONJSA-N 313.336 2.880 0 50 DFAA CC[C@H](C)[C@H](CO)NC(=O)CCn1ccc2cccc(OC)c21 230216807 YOJQUJWSDLYHCD-ZFWWWQNUSA-N 318.417 2.563 0 50 DFAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(C)ccc2O)C1 91997269 XHABJMLAKVJSHK-KRWDZBQOSA-N 305.374 2.808 0 50 DFAA COc1ccc(Cn2c(C)cc(=O)c(C(=O)O)c2C2CC2)cc1 299800255 WHBQASBNWAWWCD-UHFFFAOYSA-N 313.353 2.789 0 50 DFAA CCCc1cc(CNS(=O)(=O)Cc2ccc(C)cc2)on1 823020315 YVMDQFWRQCHTGG-UHFFFAOYSA-N 308.403 2.555 0 50 DFAA O=c1c2ccncc2ncn1[C@H]1CCCN(Cc2ccccc2)C1 584891071 RJWVYPWYPMEFRR-INIZCTEOSA-N 320.396 2.629 0 50 DFAA CCCn1cnnc1[C@H](C)NC(=O)c1cc(F)cc(Cl)c1 584888776 BLPQZJGYHBWWKB-VIFPVBQESA-N 310.760 2.972 0 50 DFAA CC(C)C[C@H](CNC(=O)[C@@H]1CCCc2c(O)cccc21)C(=O)O 585134135 FTKPVZUBDIOUJW-IUODEOHRSA-N 319.401 2.675 0 50 DFAA CO[C@@H]1CCC[C@H]1S(=O)(=O)Nc1ccc2scnc2c1 1875362863 WUYHTDUOYFHAPL-DGCLKSJQSA-N 312.416 2.606 0 50 DFAA Cc1n[nH]c(C)c1CN(Cc1ccccn1)C[C@@H]1CCCO1 952863042 ARGZYPDOBWTLPZ-INIZCTEOSA-N 300.406 2.603 0 50 DFAA Brc1ccc(OCCOCCN2CCCC2)cc1 16666942 KMBOUDJWGDXNEF-UHFFFAOYSA-N 314.223 2.940 0 50 DFAA CC(C)(C)c1ncc(CN2C[C@H](C(=O)O)C3(CCCC3)C2)cn1 1776282725 USHMCTNYVMIPLV-CQSZACIVSA-N 317.433 2.851 0 50 DFAA Cc1cc(C)c(CNC(=O)NCC[C@H](C)[S@](C)=O)c(C)c1 165700357 XQBIGDIEHWWWRN-LHSJRXKWSA-N 310.463 2.568 0 50 DFAA C[C@H]1C[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)CCO1 630328022 DTQUBKFVGLWBNH-HQRZJTNHSA-N 303.358 2.628 0 50 DFAA Cc1cc(F)c(C(=O)N[C@H](CO)Cc2ccccc2C)cc1F 170088282 UNCOTKNWSKJRHE-AWEZNQCLSA-N 319.351 2.915 0 50 DFAA CCN(CC)[C@@H](CNC(=O)c1c(C)cnn1C)c1ccsc1 411398590 CQDQWMSIUVWCTA-AWEZNQCLSA-N 320.462 2.603 0 50 DFAA Cc1nnc(NC(=O)c2cccc([C@@H]3CCCN(C)C3)c2)s1 585114088 XMXRTHXXGTYQCG-CQSZACIVSA-N 316.430 2.908 0 50 DFAA CCO[C@H](CNC(=O)N1CCCO[C@H](C)C1)c1ccccc1 195187420 NNFBBWGQKNGGHX-GDBMZVCRSA-N 306.406 2.585 0 50 DFAA O=C(c1cccnc1NCc1cnc2ccccn12)N1CCCC1 1529094766 MEWSIQAMEWUQFH-UHFFFAOYSA-N 321.384 2.577 0 50 DFAA O=C1CSC(SCC(=O)Nc2ccccc2Cl)=N1 460000 AQNWBWCTUDOPLY-UHFFFAOYSA-N 300.792 2.641 0 50 DFAA O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1nc[nH]n1 5731758 OZOAIZICPKSUNS-UHFFFAOYSA-N 321.296 2.571 0 50 DFAA COCCN(C)Cc1nc(-c2cc(OC)ccc2F)oc1C 12091194 IWSCGBJCEOBLGX-UHFFFAOYSA-N 308.353 2.876 0 50 DFAA CSCCNC(=O)[C@H]1CC(Cc2cccc(Cl)c2)=NO1 12244275 YUBQRHUMGMLWBD-CYBMUJFWSA-N 312.822 2.507 0 50 DFAA Cc1c(O)cc2oc3c(c(=O)c2c1O)-c1ccccc1O[C@@H]3O 13378574 YVVDYYFGAWQOGB-KRWDZBQOSA-N 312.277 2.563 0 50 DFAA biogenic,in-vitro CCCCSc1nc(C)c(I)c(=O)[nH]1 13601757 CWJFMWRECLNDPO-UHFFFAOYSA-N 324.187 2.575 0 50 DFAA CC(C)c1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 13616038 QNIGLMISXJYUPM-UXLLHSPISA-N 307.434 2.659 0 50 DFAA CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1C 2812291 GNTDBYOEQAOMTD-UHFFFAOYSA-N 312.369 2.649 0 50 DFAA COC[C@H](NC(=O)c1nccnc1C)c1cccc(Cl)c1 614955409 ITEGTMVNMOLBOW-ZDUSSCGKSA-N 305.765 2.556 0 50 DFAA CCN(C(=O)NC1CCN(C2CC2)CC1)[C@H](C)c1cccnc1 115648070 GZYSTNDBTXGRJR-CQSZACIVSA-N 316.449 2.801 0 50 DFAA OC1(CNCc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 238133816 JYMJCGHMANQBMQ-UHFFFAOYSA-N 323.742 2.990 0 50 DFAA CO[C@@H]1C[C@@H](CC(=O)O)N(C(=O)c2ccc3sccc3c2)C1 263065856 OVOFOGIHZFJQOD-QWHCGFSZSA-N 319.382 2.606 0 50 DFAA CN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 265559130 XVHQGSSBMWZGBQ-KRWDZBQOSA-N 309.413 2.957 0 50 DFAA CNC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39433156 RZNJETZNBTYBEE-UHFFFAOYSA-N 301.186 2.849 0 50 DFAA C[C@@H](Sc1nnnn1[C@@H]1CCOC1)c1nc2ccccc2o1 2325772602 DWZJUNWPUAHLEJ-NXEZZACHSA-N 317.374 2.629 0 50 DFAA CCc1cnc(CN(C)C(=O)[C@@H]2CCCc3c2ncn3C)s1 2325779548 NMHNXAPROGILQT-GFCCVEGCSA-N 318.446 2.518 0 50 DFAA CC(C)(C)c1ncc(CN2CC[C@@H](C(=O)O)CC23CCC3)cn1 2325788206 SIQGRPLACASSLG-CQSZACIVSA-N 317.433 2.993 0 50 DFAA C[C@@]1(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)CCCCO1 2325811248 IIYLLPUVIAECSR-KRWDZBQOSA-N 317.364 2.905 0 50 DFAA CCc1[nH]nc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1C 109894870 QANXFIWJAHBYED-LBPRGKRZSA-N 320.437 2.504 0 50 DFAA O=C(COc1ccccc1Br)Nc1nccs1 104193 WIBGNGPZQYEWCQ-UHFFFAOYSA-N 313.176 2.923 0 50 DFAA O=C(COc1ccc(Cl)cc1CO)Nc1ccc(F)cc1 615156 YZGMHSQBMHJCIX-UHFFFAOYSA-N 309.724 2.989 0 50 DFAA Cc1cc2c(cc1CN1[C@H]3CCC[C@@H]1C[C@H](O)C3)OCCO2 2356145876 WUYQKSDVSQCHGA-ZSHCYNCHSA-N 303.402 2.644 0 50 DFAA COC[C@@H]1C[C@@H](OC)CN1Cc1cc(-c2ccc(C)cc2)no1 344377062 XKVWQYBWXJXTRM-JKSUJKDBSA-N 316.401 2.886 0 50 DFAA CCc1ccc[n+](CCc2c(CC(=O)OC)[nH]c3ccccc23)c1 4566083 AAJGBNBJDVNFCT-UHFFFAOYSA-N 323.416 2.976 0 50 DFAA Cc1cccc(C)c1NC(=O)c1nn(C)c(=O)c2ccccc12 7406908 ZASUBJKDABXFQO-UHFFFAOYSA-N 307.353 2.803 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc(C2CC2)n1 247113119 PGTLACIYEXAUPR-UHTWSYAYSA-N 320.414 2.878 0 50 DFAA COc1ccc(OCCCC(=O)Nc2nnc(C)s2)cc1 9087342 FCCNOYIKOQZBGJ-UHFFFAOYSA-N 307.375 2.653 0 50 DFAA CC(C)Cc1cc(C(=O)NCCSc2ccccn2)n(C)n1 102544821 SIJGZDAQRLUSNM-UHFFFAOYSA-N 318.446 2.536 0 50 DFAA COC[C@@H](C)N(Cc1ccccc1OC)C(=O)c1ccncc1 55393067 XTGPJXIWGDBBAG-CQSZACIVSA-N 314.385 2.768 0 50 DFAA Cc1ccc(CN(CCCO)C(=O)c2ccc(F)c(O)c2)s1 55131648 SJHOOTCOBPFSLY-UHFFFAOYSA-N 323.389 2.926 0 50 DFAA Cc1cc(CN2CC[C@H](CNC(=O)C3CCCCCC3)C2)n[nH]1 67560089 IDBGRGHGCBBTLO-OAHLLOKOSA-N 318.465 2.627 0 50 DFAA COCCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 20100364 ICWBBOGWMNWEQZ-UHFFFAOYSA-N 324.852 2.705 0 50 DFAA C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 136360526 WSSWVVAWUNCACH-RYUDHWBXSA-N 301.390 2.719 0 50 DFAA C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCCCC1 10279880 SDAZUXLBGVGQSY-CQSZACIVSA-N 308.397 2.585 0 50 DFAA Cc1cc(CNc2cc(F)c(N3CCOCC3)cc2F)no1 349712677 YVKVITABIKKXAK-UHFFFAOYSA-N 309.316 2.710 0 50 DFAA O=C(NC[C@H]1CCN(Cc2ccccc2F)C1)c1cncs1 67726156 PVOOJZUBEZXTCL-GFCCVEGCSA-N 319.405 2.534 0 50 DFAA CC(C)Oc1ccc(-c2ccccc2CN2CCOCC2)nn1 65492248 NAHVQZZRCRWXGO-UHFFFAOYSA-N 313.401 2.763 0 50 DFAA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1ccccc1 67674730 AVBKHPSQQNIPPW-AWEZNQCLSA-N 308.381 2.656 0 50 DFAA O=C(Nc1cnc2n1CCCC2)c1ccccc1-n1cccn1 67872992 SGVJLVBUMFQTBQ-UHFFFAOYSA-N 307.357 2.657 0 50 DFAA Cc1oc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc1C(=O)O 324473695 DVWOTYFGBGTYPQ-CQSZACIVSA-N 313.353 2.708 0 50 DFAA C[C@@H](CNC(=O)c1c[nH]nc1-c1ccccc1)Oc1cccnc1 67473174 NRMQJYSCVIYLQE-ZDUSSCGKSA-N 322.368 2.669 0 50 DFAA CC[C@H]1COCCN1C(=O)Nc1ccc(N2CCCC2)nc1C 122817307 VEPPFUHCMRNJJG-AWEZNQCLSA-N 318.421 2.633 0 50 DFAA Cc1nc(C)c(CN(C)C[C@H]2CC(=O)N(C3CCCC3)C2)s1 67688918 MFLSJCBCBNGUHO-CQSZACIVSA-N 321.490 2.983 0 50 DFAA COc1ccccc1N1C(=O)[C@H]2Cc3ccccc3CN2C1=S 2788981 UOGASUCVRRHCNM-OAHLLOKOSA-N 324.405 2.754 0 50 DFAA COc1ccc(OC)c(NC(=O)c2c(Cl)c(C)nn2C)c1 2761734 HHCZETMKZGMEQI-UHFFFAOYSA-N 309.753 2.651 0 50 DFAA O=C(O)[C@@H](CNCc1c(F)cccc1Cl)C1CCOCC1 863740770 ACPDESJEHIPUQC-NSHDSACASA-N 315.772 2.696 0 50 DFAA O=C(Nc1csc(-c2ccccn2)n1)N[C@H]1CCCC[C@H]1O 332839171 LLEKEESWOZZVNF-CMPLNLGQSA-N 318.402 2.630 0 50 DFAA CCc1ccc(CN2CCN(c3nc(C)cnc3C)CC2)o1 216361524 OUVNNHPOJGLUNX-UHFFFAOYSA-N 300.406 2.571 0 50 DFAA Cc1ccccc1[C@@H]1CN(C(=O)CC[C@@H]2CCNC2)[C@@H](C)CO1 261829138 JAYUVCMGTUZFFQ-JZXOWHBKSA-N 316.445 2.673 0 50 DFAA COc1ccccc1N1CCN(Cc2ccc3cn[nH]c3c2)CC1 157394664 FEKXIFHRVVQMID-UHFFFAOYSA-N 322.412 2.894 0 50 DFAA CC(C)N1C[C@H](C(=O)NCc2ccc3sccc3c2)CC1=O 77298403 HFNYGCLLCWTUHG-CQSZACIVSA-N 316.426 2.774 0 50 DFAA CC(C)N1CCCC[C@H]1C(=O)N1CCC2(CCOCC2)CC1 375923657 XVGLSXAEMSOQME-INIZCTEOSA-N 308.466 2.669 0 50 DFAA CC(C)c1occc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 262919635 GCIGQHLJGDWJBA-CYBMUJFWSA-N 319.279 2.882 0 50 DFAA CCc1nc(Cn2ccnc2-c2cc(CN(C)C)cs2)no1 72154975 JJMHMMDCDYUFON-UHFFFAOYSA-N 317.418 2.667 0 50 DFAA COc1cccc([C@@H]2CCCCN2C(=O)N2CCN(C)CC2)c1 72170574 FLRBJLHIJOPKOC-KRWDZBQOSA-N 317.433 2.590 0 50 DFAA CCN(CC)[C@H](Cn1ccnc1-c1nccn1C)c1ccco1 72435942 VAOSCMZBDHBDBE-CQSZACIVSA-N 313.405 2.960 0 50 DFAA CC(C)n1ncc2cc(CN[C@@H](CO)C3CCCC3)cnc21 289550917 OGHMFQAVLRFVHG-INIZCTEOSA-N 302.422 2.653 0 50 DFAA Cc1csc([C@@H]2CN(C[C@@H](O)c3ccccc3F)CCO2)n1 222187930 BOAFBMKFZLHXCT-CABCVRRESA-N 322.405 2.698 0 50 DFAA CC[C@H](NC(=O)Cc1ccccc1Cl)c1ncnn1CC 220522354 JSXRHVVKTRYAIW-ZDUSSCGKSA-N 306.797 2.761 0 50 DFAA O=C(CCC(F)(F)F)N1CCC[C@H](OCc2cccnc2)C1 82096699 CICMIPATSCHZKN-ZDUSSCGKSA-N 316.323 2.932 0 50 DFAA C1CN(C2CSCCSC2)CCC2(C1)CCNCC2 426409561 WMHJMMAHAWHMIH-UHFFFAOYSA-N 300.537 2.691 0 50 DFAA CCCn1nc(C)c(C(=O)N2C[C@H](CO)c3ccccc32)c1C 293776840 BEGAZZXLZMSINB-CQSZACIVSA-N 313.401 2.646 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 237955916 ICWSGAHFTRIZKS-ZDUSSCGKSA-N 319.376 2.961 0 50 DFAA CCCSc1ccccc1NC(=O)N1CCC(=O)NC[C@H]1C 96132323 KYACYUVQCFSUDY-GFCCVEGCSA-N 321.446 2.931 0 50 DFAA Cc1nn(CC(=O)NCCn2ccc3ccccc32)c(C)c1C 97480357 TUVACTOTRGPKNR-UHFFFAOYSA-N 310.401 2.579 0 50 DFAA CCn1ccnc1C1CCN(C(=O)c2ccc(O)c(C)c2)CC1 91625615 PXFWVHALBSMZLA-UHFFFAOYSA-N 313.401 2.937 0 50 DFAA Cc1cc(NCC2CCN(Cc3ccc(C)o3)CC2)nc(N)n1 91964645 TVMORGKMMOMXKU-UHFFFAOYSA-N 315.421 2.593 0 50 DFAA CCOC[C@@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)cc1 95502370 GRVVWPPIYCNHIU-INIZCTEOSA-N 314.389 2.905 0 50 DFAA CC(=O)c1cc(CN2CCO[C@H](c3cccnc3)C2)cs1 97480201 GBPLDAPJIHODOX-HNNXBMFYSA-N 302.399 2.919 0 50 DFAA CCc1ccc(CNC(=O)[C@@H](c2ccccc2C)N(C)C)nc1 95383486 YRXQDCOIWLLQAW-GOSISDBHSA-N 311.429 2.872 0 50 DFAA O=C1CC2(CCCC2)CC(=O)N1CC[C@@H](O)c1ccccc1 95497360 LNIDKMYFMLMUEI-OAHLLOKOSA-N 301.386 2.820 0 50 DFAA Cc1ccccc1[C@H](O)CNC(=O)CC1CCN(C(C)C)CC1 95518202 MTEPVEXCSKLPPU-GOSISDBHSA-N 318.461 2.655 0 50 DFAA CC(=O)N[C@H]1C[C@@H](c2cc(NCc3ccsc3)nc(C)n2)C1 244659886 HKNQPSFIUXXUCU-OKILXGFUSA-N 316.430 2.841 0 50 DFAA CN(CCC(=O)Nc1nccs1)CC[C@H](O)c1ccccc1 244882636 XVNJJJDIWMQEEY-AWEZNQCLSA-N 319.430 2.527 0 50 DFAA O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H]1Cn1cccn1 299796561 OUOSLFVPEFHFPX-JTQLQIEISA-N 324.306 2.997 0 50 DFAA Cc1cc(=O)cc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)n1C 299774656 FTAHYRBAESZOFF-FQEVSTJZSA-N 324.424 2.888 0 50 DFAA Cc1ccnc(SCC(=O)N[C@@H](C)c2nc(C)sc2C)n1 299762889 CUUNIFCZEZREJY-VIFPVBQESA-N 322.459 2.828 0 50 DFAA CCC(C)(C)CC(=O)N[C@H](Cc1ccccc1)c1nc(O)n[nH]1 585134519 XSIHDVMXVSLTSG-CYBMUJFWSA-N 316.405 2.737 0 50 DFAA CCCc1cnc(C)nc1N1CCC[C@@H](c2cc(O)ncn2)C1 670441951 KJTWBBHVKHJJDK-CQSZACIVSA-N 313.405 2.617 0 50 DFAA CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 271186414 NJROCVVUHSTVRE-ULQSSITMSA-N 321.368 2.987 0 50 DFAA O=S(=O)(c1ccc(Cl)s1)N1CC[C@H](c2ccon2)C1 1875297966 JZSNFJHYDAQAON-QMMMGPOBSA-N 318.807 2.568 0 50 DFAA CCc1ccccc1S(=O)(=O)Nc1c[nH]nc1C(F)(F)F 1875279114 HZXGSNWWAGPGIE-UHFFFAOYSA-N 319.308 2.792 0 50 DFAA C[C@]1(C(=O)NCCc2c[nH]c3cc(F)cc(F)c23)CCC[C@@H]1N 1875292231 AQOXPMWRANLDPF-YOEHRIQHSA-N 321.371 2.622 0 50 DFAA C=CC(=O)N(C)CC(=O)N[C@@H](c1cc(C)sc1C)C(C)C 1875366237 XGPGEXFOBSPXPL-MRXNPFEDSA-N 308.447 2.823 0 50 DFAA CC(C)(C)OC(=O)[C@](C)(O)CNC1CCC2(CC1)CC2(F)F 952995308 HYSNQVXWCMQKKC-XGTXGMFGSA-N 319.392 2.637 0 50 DFAA O=C(NCC1(C2(O)CCC2)CC1)[C@@H]1CCCc2c(O)cccc21 887533573 ZEVKNIOJOKKFRL-OAHLLOKOSA-N 315.413 2.624 0 50 DFAA CCn1cnnc1SCC1(C)COc2cscc2OC1 1775993621 SNGFWECJNGVEDK-UHFFFAOYSA-N 311.432 2.929 0 50 DFAA CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(-c2cc[nH]n2)s1 277229139 MQCBTCWPPOIGSM-LBPRGKRZSA-N 320.462 2.844 0 50 DFAA Cc1c(C(=O)NC(C)(C)CCC(=O)O)cnn1-c1ccccc1 170044553 RSEYYJOIZKHYMZ-UHFFFAOYSA-N 315.373 2.554 0 50 DFAA C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1cncs1 170617765 ICXIIDUZMDZWAW-LBPRGKRZSA-N 312.398 2.749 0 50 DFAA Cc1cc(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)c(C)s1 170601188 YBGFWMGEYOCSCT-LBPRGKRZSA-N 308.447 2.694 0 50 DFAA CC1(c2cccc(Cl)c2)CCN(CCS(C)(=O)=O)CC1 280519126 OAUVTDGTCOVCOG-UHFFFAOYSA-N 315.866 2.738 0 50 DFAA Cc1nc(C2CC2)ccc1C(=O)N1CCC[C@@H]([C@@H]2CCNC2)C1 638263965 XFKLVYUCWRSQQO-HZPDHXFCSA-N 313.445 2.729 0 50 DFAA CCCOc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C)c1 190727708 RRVNWZVYRSGATK-ZACQAIPSSA-N 318.417 2.903 0 50 DFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)C1CCOCC1 191522977 CNHIPVSCIWQTDX-UHFFFAOYSA-N 305.765 2.891 0 50 DFAA CC(C)N(CCc1nccs1)C(=O)c1ccc(C(=O)O)cc1 191628404 CKBFPEVGGQMXDN-UHFFFAOYSA-N 318.398 2.935 0 50 DFAA CC[C@@H](c1nc(-c2ccc(OC)cc2)no1)N1CCCC1=O 585133865 XZHIYXJYURDKAM-ZDUSSCGKSA-N 301.346 2.819 0 50 DFAA O=C(N[C@H]1CCO[C@H](C2CC2)C1)N[C@@H]1C[C@H]1c1ccc(F)cc1 195077884 IQLPKAZSOLXFAM-NXOAAHMSSA-N 318.392 2.938 0 50 DFAA Cc1noc([C@H]2CCCN2C(=O)c2nc3c(s2)CCCC3)n1 1506425806 GLVKBHASIUJVKB-LLVKDONJSA-N 318.402 2.691 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 1506421556 INUCLSJSCJHNDB-NSHDSACASA-N 321.402 2.880 0 50 DFAA CC[C@H](Nc1ncccc1C(=O)N1CCCC1)c1ccnn1C 1529158406 CBTCYJMUCBGRPI-AWEZNQCLSA-N 313.405 2.614 0 50 DFAA CCC[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 373218 OIWHTYPTRNREOF-JTQLQIEISA-N 307.346 2.635 0 50 DFAA Cc1cccc(F)c1S(=O)(=O)N[C@@H](C)c1cncs1 253393278 YGKHBADWKSWEAY-VIFPVBQESA-N 300.380 2.630 0 50 DFAA 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304.415 2.865 0 50 DFAA COc1cccc(NS(=O)(=O)c2cc(F)ccc2OC)c1 10301990 WWHUEKIKTLJCRG-UHFFFAOYSA-N 311.334 2.644 0 50 DFAA CC(C)[C@@H](C(=O)NCc1ccco1)N1Cc2ccccc2C1=O 20531322 ZHDXYXBRUVDTAR-INIZCTEOSA-N 312.369 2.576 0 50 DFAA c1ccc([C@H]2CCCN2Cc2cnc(N3CCCC3)nc2)nc1 67867109 AFLBTNNVDUVCNO-QGZVFWFLSA-N 309.417 2.809 0 50 DFAA CC(=O)Nc1ccc(C(=O)N(C)CCC2(O)CCCC2)c(C)c1 67855447 WGCUEFGQQLLGFR-UHFFFAOYSA-N 318.417 2.721 0 50 DFAA C[C@H]1[C@H](OC(=O)C2CCC(C(N)=O)CC2)C[C@H]2C[C@H]1C2(C)C 252516886 XNOUHVRGVWZJNS-QNUFBLNKSA-N 307.434 2.892 0 50 DFAA Cc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 20796180 IARKCSJSOLJWAK-NSHDSACASA-N 312.760 2.999 0 50 DFAA Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c(C)c1 64982949 UQKMMLYPJNXHKE-ZDUSSCGKSA-N 312.369 2.808 0 50 DFAA O=C(c1noc2c1CCCC2)N1CCOc2c1ccc(F)c2F 333378546 VYDMYKREZJGRII-UHFFFAOYSA-N 320.295 2.871 0 50 DFAA CC(C)c1ccoc1C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 284461033 WPOJVBWTSTXFEI-CHWSQXEVSA-N 306.406 2.780 0 50 DFAA 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COc1ccc([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cc1 239235798 WSYPDCZGUZHFBG-AKCLSAJKSA-N 317.385 2.619 0 50 DFAA CC(C)N1CCC(CC(=O)N2CC(c3cccnc3)C2)CC1 95519718 QFDMJIYKLMILIY-UHFFFAOYSA-N 301.434 2.518 0 50 DFAA CCN(C[C@H]1CCN(c2nc(C)cc(C)n2)C1)CC(F)(F)F 269337062 JNJUFWJMISUYON-CYBMUJFWSA-N 316.371 2.804 0 50 DFAA CN(C)CCCn1ccnc1C1CCN(c2ccncc2)CC1 95385941 ARADJSAJJXHAMX-UHFFFAOYSA-N 313.449 2.614 0 50 DFAA CCOC(=O)c1[nH]c2c(c1N)C(=O)C[C@@H](c1ccc(C)o1)C2 95117766 QIKPSKZWYCGLSL-VIFPVBQESA-N 302.330 2.588 0 50 DFAA COc1cc(-c2nc(N3CCCCC3)n(C)n2)c(Cl)cn1 96161955 VLQJZHMYPHQGCP-UHFFFAOYSA-N 307.785 2.529 0 50 DFAA CC1(NC(=O)c2ccc(C(F)(F)F)cc2O)CCOCC1 182074545 HIBQFGCTQTYERP-UHFFFAOYSA-N 303.280 2.710 0 50 DFAA CCCN(Cc1ccc(OC)c(C(=O)O)c1)[C@@H]1CCCC[C@H]1O 244718973 LULQOWOAQAXVJJ-HZPDHXFCSA-N 321.417 2.909 0 50 DFAA CC1(C)C[C@H](NC(=O)Cc2noc3ccccc23)C(C)(C)O1 183032444 RRBQKYXSNLADNI-AWEZNQCLSA-N 302.374 2.833 0 50 DFAA O=C1CCc2c1cccc2C(=O)N1CCOc2ccccc2C1 584888662 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Cc1nc(C)c([C@H](C)N(C)C(=O)NCC2CCOCC2)s1 171729405 FBPQXVOIYZTESV-NSHDSACASA-N 311.451 2.889 0 50 DFAA COc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](OC)C2)cc1F 187235363 KSHBIXOLPMCRPK-MQIPJXDCSA-N 324.396 2.962 0 50 DFAA O=C(O)[C@@H]1CCC[C@@H](C(=O)Nc2cnn(-c3ccccc3)c2)C1 585089134 ARAFIJHMJCVMPB-CHWSQXEVSA-N 313.357 2.702 0 50 DFAA C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)CC(C)(C)C1 585131398 UTHJEROCXYCTHY-JHJVBQTASA-N 320.437 2.820 0 50 DFAA CC1(NC(=O)Cc2n[nH]c3c2CCCC3)Cc2ccccc2C1 188738947 XIPHXIPNUBVZKS-UHFFFAOYSA-N 309.413 2.505 0 50 DFAA O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 190357415 CHSFMNWQTSGWHX-CHWSQXEVSA-N 316.792 2.757 0 50 DFAA Cn1nc(-c2cccs2)nc1NC(=O)Cc1cccs1 193242618 MTMIGANQQKHXSC-UHFFFAOYSA-N 304.400 2.786 0 50 DFAA C[C@H](NC(=O)N1CCC(C)(C(=O)O)CC1)C1CCC(F)CC1 659412484 JDHZRYKWYPGKSV-HIFPTAJRSA-N 314.401 2.800 0 50 DFAA Cc1cc(C)nc(N2CCCN(Cc3cccs3)CC2)n1 1506427836 TYUNQKHFZGDWGK-UHFFFAOYSA-N 302.447 2.867 0 50 DFAA COc1cccc(OCCN(C)C2CSCCSC2)c1 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COc1ccc2cccc(CC(=O)N[C@H]3CCNC3(C)C)c2c1 423744654 WIWMYWAYNBVRST-KRWDZBQOSA-N 312.413 2.648 0 50 DFAA O=C(NCCOC1CCCCCC1)N[C@@H]1CCO[C@@H](C2CC2)C1 124261300 KSCWOGCUELUREN-NVXWUHKLSA-N 324.465 2.983 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 237505924 SASQHJLXXZMWSI-GOEBONIOSA-N 311.429 2.892 0 50 DFAA CN(C)C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(Cl)cc1 252504010 VHVGRZFXXQEOCZ-CABCVRRESA-N 310.825 2.628 0 50 DFAA CC[C@H]1CN(C(=O)c2occ(C)c2C)CCN1CC(F)F 585082031 RXCYMOSKUDMBCW-LBPRGKRZSA-N 300.349 2.698 0 50 DFAA COC1(C(=O)N2CC(=O)Nc3ccccc3C2)CCCCCC1 824322977 JMFBXZNHLBNMKS-UHFFFAOYSA-N 316.401 2.707 0 50 DFAA Cn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F 2741318 UBWLQIWFVGUHBI-UHFFFAOYSA-N 316.105 2.713 0 50 DFAA Cn1cc(CN2C[C@@H](CC(=O)O)C(C)(C)C2)c(C2CCC2)n1 2325787923 BYSPMRWDQFPVTJ-CQSZACIVSA-N 305.422 2.620 0 50 DFAA NCCn1cc(NC(=O)c2cc(-c3ccccc3)cs2)cn1 2325857366 ZECOSIQWMGCDJB-UHFFFAOYSA-N 312.398 2.823 0 50 DFAA c1cnn(-c2ccc(CCN[C@@H]3CCCn4ccnc43)cc2)c1 888094149 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Cc1nc(CC2CC2)sc1C(=O)NCCC(C)(C)C(=O)O 424236240 SWXAQLBWMYXJPB-UHFFFAOYSA-N 310.419 2.635 0 50 DFAA CC(C)C1=NO[C@H](CNC(=O)c2c[nH]nc2C2CCCCC2)C1 67878476 PMKIJBMNKYMJIH-ZDUSSCGKSA-N 318.421 2.988 0 50 DFAA O=C(NCc1ccc2nonc2c1)c1ccccc1-c1ncc[nH]1 67850960 SZOHAKZRZJVKAE-UHFFFAOYSA-N 319.324 2.543 0 50 DFAA COc1ccc2[nH]c(-c3nc4c([nH]3)CC(C)(C)CNC4=O)cc2c1 67785609 BAXAQMATPMIBCR-UHFFFAOYSA-N 324.384 2.879 0 50 DFAA COc1ccc(NC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)c(C)c1 252517211 BYSLFSDESAQTQU-GMZLATJGSA-N 304.390 2.532 0 50 DFAA C[C@H](c1ccccn1)N(C)c1cc(N[C@@H]2CCCOC2)ncn1 328656400 ZHNPKWJGBRPMFC-ZIAGYGMSSA-N 313.405 2.660 0 50 DFAA Cc1ccc(-c2cc(C(=O)NC3(C(=O)O)CCCC3)on2)cc1 237703896 LXKJYKMKPJRROY-UHFFFAOYSA-N 314.341 2.777 0 50 DFAA C[C@H]1CN(Cc2ncnn2C(C)(C)C)[C@H](c2ccccc2)CO1 253392769 UZNMJCIOAZVOPJ-HOCLYGCPSA-N 314.433 2.995 0 50 DFAA COc1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=S)c1 2789482 BKHCPUVJWWXZFQ-INIZCTEOSA-N 324.405 2.754 0 50 DFAA COc1cccc(C2=NO[C@@H](C(=O)NC3CCCCC3)C2)c1 4110868 GOKNYOHQPLPAOF-MRXNPFEDSA-N 302.374 2.637 0 50 DFAA CC[C@]1(C)COCCN1C(=O)c1cc(O)nc2ccc(F)cc12 332182604 AHQXHUYPQYSSMN-QGZVFWFLSA-N 318.348 2.721 0 50 DFAA Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)n1C 215085595 SGRMDNKXGRIDTK-KRWDZBQOSA-N 311.429 2.728 0 50 DFAA CC(C)[C@@H](CO)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 32507898 QBCQNCNIQUXKHE-ZYHUDNBSSA-N 306.431 2.772 0 50 DFAA CCc1cccc(C(=O)N(C)Cc2ccc(OC)cc2OC)n1 449054899 RXJYGKVEIUTDBL-UHFFFAOYSA-N 314.385 2.933 0 50 DFAA C[C@H]1CN(CC(F)(F)F)CCN(c2ccnc3ccncc23)C1 450871335 NAKGICWUGJPRQE-LBPRGKRZSA-N 324.350 2.950 0 50 DFAA CCc1c(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)csc1C 77516466 IZCRCLLCXSFLTL-UHFFFAOYSA-N 322.430 2.676 0 50 DFAA Cc1nnc([C@@H]2CC23CCN(Cc2ccc(CO)cc2)CC3)o1 370367189 ODIXNSCIXLSDAX-INIZCTEOSA-N 313.401 2.640 0 50 DFAA Cc1c(Cl)cccc1C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 337158932 RLBGINKTJOQOJI-FVQBIDKESA-N 323.820 2.650 0 50 DFAA CCOCCN1CCN(C[C@H]2CCC3(CCCC3)O2)C[C@@H]1CC 242140819 WPMAOFVNNNTQQJ-ZWKOTPCHSA-N 324.509 2.911 0 50 DFAA O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1[C@H]2CCC[C@H]21 242389250 ZVMDFRCUJJXRNT-UUIJZJDISA-N 306.356 2.706 0 50 DFAA CCN(c1ccc(O)cc1)S(=O)(=O)c1cncc(Cl)c1 242339084 ZETUZXXXKHLNOA-UHFFFAOYSA-N 312.778 2.656 0 50 DFAA O=C(c1ccc(Cl)nc1)N1CC[C@@H](CN2CCCCC2)C1 174521591 XSWNPCJMRCTNQU-ZDUSSCGKSA-N 307.825 2.683 0 50 DFAA CCNc1nc(C)c(C(=O)N(C)CCC[C@H]2CCCO2)s1 218966607 ANYJSDMTOZKWSI-LBPRGKRZSA-N 311.451 2.915 0 50 DFAA CCc1nc(C)sc1C(=O)N1CC(N2CCCC[C@H]2C)C1 215006002 RVBCGHCVPOQIPK-LLVKDONJSA-N 307.463 2.713 0 50 DFAA C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](C2CC2)C1 343136834 HKJCYAOFMCIMJB-SMDDNHRTSA-N 320.820 2.717 0 50 DFAA CN(Cc1csc(Br)c1)Cc1cncn1C 177265122 SHGFRQQWWPCMGG-UHFFFAOYSA-N 300.225 2.876 0 50 DFAA Cc1cnn(-c2ccncc2NC(=O)[C@@H](C)n2nc(C)cc2C)c1 179278485 UOOGQKXNWZOIKC-CQSZACIVSA-N 324.388 2.589 0 50 DFAA COc1ccc(CN(C)C(=O)N[C@@H](CC(=O)O)CC(C)C)cc1 426715835 HLENQSXFSQMRQA-CQSZACIVSA-N 322.405 2.726 0 50 DFAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cnccc3C)CC2=O)cc1 82108004 IGWIAEHZJRDRCK-HNNXBMFYSA-N 323.396 2.576 0 50 DFAA CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(F)ccc1C)CC2 180193800 FGAXHXUIWLSKIJ-SJORKVTESA-N 307.409 2.886 0 50 DFAA CCc1nnc(CN(CC)C(=O)C2(c3ccc(F)cc3)CC2)o1 91624831 ZZLMIGKLSJNEDQ-UHFFFAOYSA-N 317.364 2.851 0 50 DFAA Cc1cc(C)c(NC(=O)NCCc2nnc(C)s2)c(C)n1 95502934 SXTMJRNDIXBZQC-UHFFFAOYSA-N 305.407 2.531 0 50 DFAA Cc1cccc(-c2n[nH]cc2C(=O)NCCNc2cccnc2)c1 97805671 LLOQLSJDIVVOBO-UHFFFAOYSA-N 321.384 2.622 0 50 DFAA CCc1ncc(C(=O)N[C@@H]2CCCc3sc(C)nc32)cn1 95353403 ZCJZSFYWUFLFFK-LLVKDONJSA-N 302.403 2.611 0 50 DFAA Cc1ccc(F)cc1C(=O)NCCC(=O)N1CCCCCC1 299585195 RUNKWQJLRGKJNV-UHFFFAOYSA-N 306.381 2.657 0 50 DFAA O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C2CC2)[nH]c(=O)c1 184147106 HKFAKENBPNALDQ-UHFFFAOYSA-N 312.413 2.807 0 50 DFAA CC(C)n1cnnc1[C@H](C)NC(=O)CCCN1CCCCCC1 299793563 IZEICPZPDHOYGO-HNNXBMFYSA-N 321.469 2.692 0 50 DFAA O=C([C@H]1CCCCO1)N(Cc1cncs1)Cc1cncs1 952883116 XUUDAWVXCBCSMU-CYBMUJFWSA-N 323.443 2.698 0 50 DFAA C[C@H]1OCC[C@@H]1Cc1noc(-c2ccc(-c3cnn(C)c3)o2)n1 1875299077 YCQJAZRGOSGCAN-GHMZBOCLSA-N 314.345 2.698 0 50 DFAA CC(C)(C)C(=O)N[C@@H]1CCCN(c2nc3ccccc3[nH]2)C1 1875297401 OLSXPMOLCZVCNN-GFCCVEGCSA-N 300.406 2.694 0 50 DFAA O=C(O)[C@H]1c2ccc(F)c(F)c2CCN1Cc1cscn1 1875283095 FZAPJGBTOFZOHR-CYBMUJFWSA-N 310.325 2.605 0 50 DFAA Cc1cc(C(=O)NC(C)(C)c2c(C)noc2C)c(O)nc1C 1875294096 MPBBAUMUUYUCRA-UHFFFAOYSA-N 303.362 2.674 0 50 DFAA COc1ccc(CNC2(C(C)(C)C(=O)O)CCC2)cc1OC 1875340457 BYIFAGAARNOAQD-UHFFFAOYSA-N 307.390 2.827 0 50 DFAA FC(F)(F)c1ccc(N2CC[C@H](N3CCOCC3)C2)cc1 1875365899 GXJRHKVYLPHMNM-AWEZNQCLSA-N 300.324 2.616 0 50 DFAA C[C@H](CC(=O)N1CC2(CCC2)[C@H]1C(=O)O)c1ccc(F)cc1F 1875320843 MPRHLJSXEWRMOW-MEBBXXQBSA-N 323.339 2.924 0 50 DFAA CCN(Cc1cccc(OC)c1)C(=O)CSc1nnc(C)o1 952989058 SDNVRPPWSBSPBB-UHFFFAOYSA-N 321.402 2.527 0 50 DFAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2cnc[nH]2)cc1 888098898 QHMHQXXUDYBLFI-HNNXBMFYSA-N 316.449 2.981 0 50 DFAA O=C1Cc2cccc(-c3ccc(CN4CCOCC4)cc3)c2N1 630494144 BFPKLAHBNDMTDY-UHFFFAOYSA-N 308.381 2.680 0 50 DFAA Cc1ccc(CNc2ccc(N3CCOCC3)cn2)c(F)c1 630952225 AVKNWWIPQQYNKA-UHFFFAOYSA-N 301.365 2.978 0 50 DFAA CC(C)(CC(=O)O)CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 169978161 AVVSJPXBXDKQEZ-UHFFFAOYSA-N 318.373 2.791 0 50 DFAA CN(CCN1CCCC1)C(=O)c1ccc(F)c(Cl)c1F 170592847 HNPJBXJFTFHUFS-UHFFFAOYSA-N 302.752 2.786 0 50 DFAA CNC(=O)CCCCC(=O)Nc1nc(-c2ccco2)cs1 170602045 GVGJAKGDDGMGHW-UHFFFAOYSA-N 307.375 2.648 0 50 DFAA CCOC(=O)c1cc(CN2CCC[C@@H]2c2ccccn2)on1 600840379 FKEOTJXJALXXFB-OAHLLOKOSA-N 301.346 2.583 0 50 DFAA COc1cccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c1F 666465476 CQRHTEOIKUXSDE-OAHLLOKOSA-N 320.408 2.811 0 50 DFAA CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)Cc2ccc(F)cc2C1 91691639 VDDIYHUEZRTSPT-QGZVFWFLSA-N 323.364 2.751 0 50 DFAA in-vitro Cc1cc(NC(=O)Nc2cn[nH]c2)ccc1OC1CCOCC1 172336222 BDBQNROAEOXTNJ-UHFFFAOYSA-N 316.361 2.920 0 50 DFAA CC[C@@H]1CN(c2ccccc2)CCN1c1cc(Cl)nc(N)n1 302175586 WFLAUKHXUBSOSJ-GFCCVEGCSA-N 317.824 2.817 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)o1 639579145 BMMJPCXVRLTFNW-MLGOLLRUSA-N 300.358 2.514 0 50 DFAA Cn1nccc1[C@H]1CCCCN1c1nccc(C(F)(F)F)n1 225578734 AIZJCRRDPIMDQA-LLVKDONJSA-N 311.311 2.961 0 50 DFAA C[C@H](CNc1ncnc2c1cnn2C)c1nc2ccccc2o1 584907262 HBSBEUGJYJLBST-SNVBAGLBSA-N 308.345 2.720 0 50 DFAA C1=CO[C@H](CN2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 193854514 SUBSBFNXBNYMJO-LSDHHAIUSA-N 302.422 2.834 0 50 DFAA CC(C)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc1 655603472 XZPZJVVQVFCASS-INIZCTEOSA-N 312.369 2.631 0 50 DFAA Cc1cc(=NC[C@@H]2CCO[C@H]2c2nccn2C)c2ccccc2[nH]1 664508954 OZQBKXPHLVCBAS-KBXCAEBGSA-N 322.412 2.888 0 50 DFAA CC(C)c1csc(CNC(=O)c2csc3cncn23)n1 764190534 RGFCMILVHVPRAU-UHFFFAOYSA-N 306.416 2.906 0 50 DFAA CCCC[C@@H]1C=CCN1C(=O)CCNC(=O)c1ccc(F)cc1 1506421077 DUUSEAQGHAZKKP-MRXNPFEDSA-N 318.392 2.903 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1sccc1Br 111533896 XBMGEWXQAMKCSS-WPRPVWTQSA-N 317.252 2.853 0 50 DFAA Cc1cc(Br)ccc1C(=O)N1CC[C@H](N)C[C@H]1C 124782795 HKZSWPJUICZRBF-PWSUYJOCSA-N 311.223 2.709 0 50 DFAA CC[C@@H](C)n1nc(NC(=O)N2CCC3(CCNCC3)C2)cc1C 1614994010 FDVNEVJQTCFEIB-CYBMUJFWSA-N 319.453 2.770 0 50 DFAA CC(C)c1nc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)co1 1772811445 UFMXCHAZQCURDY-UHFFFAOYSA-N 322.368 2.937 0 50 DFAA CC[C@]12C[C@@H]1CN(C(=O)c1cnc(-c3cccnc3)nc1C)C2 1772818355 QVSRBJLYKBBTBE-RDTXWAMCSA-N 308.385 2.719 0 50 DFAA CC(C)c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2 12508417 SEYBLFSSWRROBG-UHFFFAOYSA-N 304.438 2.757 0 50 DFAA CN(Cc1cnn(C)c1)c1nncc(-c2cccc(Cl)c2)n1 12711207 WQJJZKXGAWDXRX-UHFFFAOYSA-N 314.780 2.562 0 50 DFAA CNc1ncnc2sc(C(=O)NCc3ccco3)c(C)c12 15008921 SHNKHBDSAQSQGU-UHFFFAOYSA-N 302.359 2.564 0 50 DFAA O=C1CS[C@@H](c2ccc(F)cc2)N1CCN1CCCCC1 15659704 XTZXUYTXFQFHPB-INIZCTEOSA-N 308.422 2.886 0 50 DFAA O=C(c1ccc2nccnc2c1)N1CCN(c2ccccc2)CC1 4821032 UUTOUSXRSANDCT-UHFFFAOYSA-N 318.380 2.592 0 50 DFAA Cc1ccccc1N1C[C@H](C(=O)N2CCCCCC2)CC1=O 4975546 CTZDQUXZTSRHBQ-OAHLLOKOSA-N 300.402 2.751 0 50 DFAA CCN(Cc1ccoc1)C(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857528602 REQOPCVVHHYHEA-MNOVXSKESA-N 303.362 2.687 0 50 DFAA Oc1ccc(CC2CCN(Cc3cccc4ccnn34)CC2)cn1 1857676453 SZHYZOUKYBBPDV-UHFFFAOYSA-N 322.412 2.890 0 50 DFAA Cc1ccc2nc(O)c(-c3nccn3-c3cnn(C)c3)cc2c1 1857682241 SUOZHUONJAUVLR-UHFFFAOYSA-N 305.341 2.835 0 50 DFAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 408474441 XFVCAXLENMOMIZ-DOTOQJQBSA-N 319.449 2.577 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 225538724 PSZJGLYCPRMPKQ-DOTOQJQBSA-N 315.344 2.782 0 50 DFAA CC(C)(C)c1csc([C@@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)n1 239672739 BUYYGKOBSLURMR-RYUDHWBXSA-N 324.446 2.520 0 50 DFAA c1ccc(N2Cc3cccc(NCCn4cccn4)c3C2)nc1 241795498 RZQXEGAPHTVPLU-UHFFFAOYSA-N 305.385 2.910 0 50 DFAA NC(=O)c1cccc(CCNC(=O)[C@H]2CCCc3ccccc32)c1 338684634 QPXVZJUCWJGFLR-SFHVURJKSA-N 322.408 2.564 0 50 DFAA Cc1ccnc(N2CCN(C(=O)NC3CCCCC3)CC2)c1 151309210 DIHQQURZRPERPE-UHFFFAOYSA-N 302.422 2.554 0 50 DFAA CCCCc1ccc(N(C)C(=O)c2cnc(C(=O)O)cn2)cc1 263246167 GFNAQCBDDYPJAD-UHFFFAOYSA-N 313.357 2.794 0 50 DFAA Cc1cnc(Br)c(NC(=O)CCOCC(F)F)c1 311057225 YHWZODCAANFGHL-UHFFFAOYSA-N 323.137 2.763 0 50 DFAA CO[C@H](CNC(=O)c1nc(C)ccc1Br)C(C)C 933901063 BZGHGGGQKFLALV-LLVKDONJSA-N 315.211 2.553 0 50 DFAA COc1cc(C(=O)Nc2ccc(O)c(C)c2)cc(OC)c1OC 92267 MECBOWVAQYSEGG-UHFFFAOYSA-N 317.341 2.979 0 50 DFAA NCC12CC(CN3CCC[C@@H](C[C@@H](N)C4CCCC4)C3)(C1)C2 2325761500 DDZZFYBLSFCULY-XMZVIZOASA-N 305.510 2.735 0 50 DFAA O=C(Cc1ccccc1)c1ccccc1C(=O)N1CCOCC1 31600 ZIQYSRRHIMGJSI-UHFFFAOYSA-N 309.365 2.584 0 50 DFAA COc1cccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c1 240325 TWWIVCBPXLHKHS-ZBFHGGJFSA-N 301.386 2.786 0 50 DFAA Cc1ccc(S(=O)(=O)N2C(=S)SCC2(C)C)cc1 293730 UXLGNVZUNJHQMF-UHFFFAOYSA-N 301.458 2.796 0 50 DFAA Cc1c(CN2C[C@@H](C)C[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C 757526 FFCTTZRYHAYDSQ-GASCZTMLSA-N 313.445 2.962 0 50 DFAA COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(O)c3)oc2c1 6018559 UDBHJDTXPDRDNS-UHFFFAOYSA-N 314.293 2.888 0 50 DFAA biogenic,in-vitro Cc1ccc(CN2CC[C@@H](CNC(=O)c3ccc[nH]3)C2)cc1C 67741672 VHAHLWGITYBYBE-KRWDZBQOSA-N 311.429 2.883 0 50 DFAA COc1cccc(CN(C)C(=O)CCN2CCC[C@H](C)C2)c1 20998463 MWAXQNPJIFVOMG-HNNXBMFYSA-N 304.434 2.776 0 50 DFAA C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 252516850 XFXAMONAPFYOLM-CTASWTNQSA-N 306.450 2.718 0 50 DFAA Cn1ccc2c(C(=O)N3CCC[C@@H](c4cn[nH]c4)C3)cccc21 119784006 UHVRBMJEUMQQEV-CYBMUJFWSA-N 308.385 2.921 0 50 DFAA Cc1csc(N2CCN(C(=O)c3ccccc3)C[C@H]2C)n1 605685407 VKYGQTNZHSELNO-CYBMUJFWSA-N 301.415 2.802 0 50 DFAA CO[C@]1(C)CCCN(C(=O)NCc2cnc(C)cc2C)CC1 332291864 JGICFRGYUHXBGV-QGZVFWFLSA-N 305.422 2.799 0 50 DFAA CO[C@]1(C)CCCN(C(=O)NCc2cc(C)nc(C)c2)CC1 332377968 UEURYPQUIWYZKG-QGZVFWFLSA-N 305.422 2.799 0 50 DFAA Cc1nc(CNC(=O)[C@@](C)(O)CCc2ccccc2)sc1C 253392895 DTDKHNFEUNKWDL-KRWDZBQOSA-N 318.442 2.760 0 50 DFAA COc1ccc(C2=NO[C@@H](C(=O)N3CCCC[C@H]3C)C2)cc1 5029113 DLXDGXBQNRIGHE-MLGOLLRUSA-N 302.374 2.589 0 50 DFAA Cc1cnc(CN(Cc2nccs2)[C@@H]2CC23CCNCC3)o1 328607790 XDTVHEUJNOEWFF-CYBMUJFWSA-N 318.446 2.584 0 50 DFAA Nc1nc(N)nc(CSCCCc2ccc(Cl)cc2)n1 122823757 ILMQHWYSAYYIBU-UHFFFAOYSA-N 309.826 2.555 0 50 DFAA CCOc1ccc(C(F)(F)F)cc1NC(=O)CNC1CC1 154296230 RCUKYRMHSKAXCW-UHFFFAOYSA-N 302.296 2.795 0 50 DFAA COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C(=O)O)o1 261658510 GBJKEKWVXPDDPB-LLVKDONJSA-N 317.341 2.690 0 50 DFAA COc1ccccc1C/C(C)=C/C(=O)N1CCCC[C@@H]1CN 237114419 CKFTXNQOUUHVLT-WCRPCQDQSA-N 302.418 2.524 0 50 DFAA O=C(CCC1CCNCC1)Nc1nnc(-c2ccco2)s1 263003937 OZFHWVKQKIARPI-UHFFFAOYSA-N 306.391 2.516 0 50 DFAA Cc1cnn([C@H](C)C(=O)N(C)Cc2ccc(-n3cccn3)cc2)c1 72412434 RRFVBCHDFDMXFP-OAHLLOKOSA-N 323.400 2.597 0 50 DFAA O=C(O)C1CCN(C(=O)CCCc2ccc(F)c(F)c2)CC1 238101469 LIAOHNAAUBJTKP-UHFFFAOYSA-N 311.328 2.611 0 50 DFAA Cc1cc(Cl)cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 286234675 KNGOVBLJGCGGPB-XHSDSOJGSA-N 323.820 2.650 0 50 DFAA Cc1cc(NCCc2nc(C)c3c(n2)CCC3)n2nc(C)cc2n1 72476025 QDOOLHDYPUUGOD-UHFFFAOYSA-N 322.416 2.588 0 50 DFAA CSCc1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)o1 77303968 AJFKKFXISVBVLB-LLVKDONJSA-N 305.403 2.886 0 50 DFAA CCOC(=O)CN(C(=O)c1oc(C)nc1C)c1ccccc1F 175657271 PDPOOVHFFGOUAR-UHFFFAOYSA-N 320.320 2.640 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)Nc2ccc3c4c(cccc24)CC3)C1 263505980 VPMPYIBOVFMDOS-ZDUSSCGKSA-N 310.353 2.877 0 50 DFAA Cc1nc(CCN[C@@H]2COc3ccccc3C2)nc2c1CCCC2 199292738 IFZBLOWOVUVEDW-INIZCTEOSA-N 323.440 2.800 0 50 DFAA Cc1ccccc1CC(=O)Nc1sc2c(c1C(N)=O)CCC2 41107555 AIIJHRRWARJHMW-UHFFFAOYSA-N 314.410 2.825 0 50 DFAA CCC[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1nccn1C 223452694 BXEXZJPIMFEFEU-HNNXBMFYSA-N 318.465 2.786 0 50 DFAA O=C(c1cnoc1-c1ccccc1)N1CCC[C@H]1Cn1cccn1 426689141 ICDIEIMCCMMGLI-HNNXBMFYSA-N 322.368 2.843 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)Cc2nc3ccccc3[nH]2)on1 426504136 XTRFHICWCJTXTN-CQSZACIVSA-N 310.357 2.766 0 50 DFAA Cc1ccccc1N1CCCN(C(=O)[C@]2(C)CCCCO2)CC1 91305816 JXEHIPMJBAXSTE-IBGZPJMESA-N 316.445 2.993 0 50 DFAA Cc1nnc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c2ccccc12 244719077 LWKOADWKDBXYRL-HACGYAERSA-N 323.400 2.596 0 50 DFAA Cc1ccn2c(=O)cc(CN3CCC[C@@H]3c3ccco3)nc2c1 243901465 BBRQFGGCYDSMCY-OAHLLOKOSA-N 309.369 2.933 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](CN)C2)cc1-c1ccccc1 299738935 IQRRTTJXVOEJIC-CQSZACIVSA-N 310.397 2.783 0 50 DFAA Cc1cc(CC(=O)N[C@H](C)c2ccccc2-n2cccn2)on1 828000467 LHZPLEFOHVWBEM-CYBMUJFWSA-N 310.357 2.589 0 50 DFAA CCCN1CCC[C@@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)C1 670441585 FDCZDYRIYTTXNK-MRXNPFEDSA-N 312.417 2.681 0 50 DFAA Cc1cc(C)n(C[C@H](C)NCc2ccc(-c3ncon3)cc2)n1 670471438 CMWVLZXPIZIWEJ-ZDUSSCGKSA-N 311.389 2.728 0 50 DFAA CC1(C(=O)n2nc(N)nc2Cc2cccc(F)c2)CCCC1 952963082 CSFMJDDBZPBNMO-UHFFFAOYSA-N 302.353 2.811 0 50 DFAA OCCCN1CCC(COc2ccc(C(F)(F)F)cn2)CC1 1875273859 WRZQGUVVLPIENK-UHFFFAOYSA-N 318.339 2.574 0 50 DFAA CCOC(=O)Cc1nc(-c2cn(C)nc2C2CC2)sc1C 1875291820 MQBFXCAGRBFRSQ-UHFFFAOYSA-N 305.403 2.835 0 50 DFAA CCc1ccccc1NC(=O)C(=O)NCc1cc(Cl)ccn1 170603771 VXJVHPXQLOZPQB-UHFFFAOYSA-N 317.776 2.552 0 50 DFAA COCCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C 408518937 LIKIJZPRQLTNAV-MRXNPFEDSA-N 304.434 2.713 0 50 DFAA Cc1nc(C(=O)N2CCOC[C@]2(C)c2ccccc2)c(C)o1 408522270 GPJOIYFYCFNRTA-QGZVFWFLSA-N 300.358 2.679 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)c(F)c1F 633687746 FCHGAUAAQXSEEG-GFCCVEGCSA-N 319.311 2.746 0 50 DFAA Cc1nc(C)c(COC(=O)Cc2ccc([S@](C)=O)cc2)s1 225492975 ZFOUJSYHDCRYOF-NRFANRHFSA-N 323.439 2.783 0 50 DFAA CN(C[C@@H](O)CC(F)(F)F)C(C)(C)c1ccc2c(c1)OCO2 189626283 KYSYKPJPQIJMDN-NSHDSACASA-N 319.323 2.896 0 50 DFAA O=C(CCc1ccon1)N1CCO[C@H](c2ccccc2Cl)C1 646799153 IBYKNJVDTZSFMI-HNNXBMFYSA-N 320.776 2.861 0 50 DFAA C[C@@](CNC(=O)c1cccc2c1CCC2)(C(=O)O)c1ccccc1 193065660 HLABOMPHJSPYJX-FQEVSTJZSA-N 323.392 2.948 0 50 DFAA Cc1ccccc1-c1noc([C@H](C)Sc2nnc(O)[nH]2)n1 194628669 AFAAPCQHXYDUET-QMMMGPOBSA-N 303.347 2.722 0 50 DFAA CO[C@@H](CNC(=O)NCC1(SC)CC1)c1ccc(F)cc1 195004061 SLIVORMOQDAATJ-ZDUSSCGKSA-N 312.410 2.708 0 50 DFAA Cc1cccc([C@H](C(=O)O)N2CCN(CC3CCCC3)CC2)c1 1506414330 YCTABMSPELMQQA-GOSISDBHSA-N 316.445 2.929 0 50 DFAA CCC(C)(C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 373211 PBVKBMWRZDDYQH-UHFFFAOYSA-N 307.346 2.635 0 50 DFAA CCc1cccc(C)c1NC(=O)Cn1cnc2ccccc2c1=O 389211 ZIFLNZJZUQFFBU-UHFFFAOYSA-N 321.380 2.906 0 50 DFAA O=C(Cc1cccs1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775977017 CVASWKGPAHXMEX-MRXNPFEDSA-N 301.415 2.520 0 50 DFAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc[nH]n3)C2)cc1F 11663913 QAOAIBQZOPDEIR-CYBMUJFWSA-N 317.364 2.652 0 50 DFAA CCCN1CCN([C@@H](C)Cc2ccc(OC)cc2)CCC1=O 12150806 JECWPPYGEJILHS-HNNXBMFYSA-N 304.434 2.571 0 50 DFAA O=C1[C@H]2CCCN2C(=O)c2ccccc2N1Cc1ccccc1 12296793 MSMQFUOLWJINDH-QGZVFWFLSA-N 306.365 2.838 0 50 DFAA biogenic OCc1ccc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)o1 12387784 VCCHOTVWPLJFML-MRXNPFEDSA-N 324.384 2.520 0 50 DFAA COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C 13945967 QNDRLAVYGOOUDL-UHFFFAOYSA-N 310.397 2.966 0 50 DFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C(C)C)cc1 17729161 STMGOBCLEKBNFQ-CQSZACIVSA-N 304.415 2.776 0 50 DFAA O=C(Cn1ccc2ccccc21)N1CCN(c2ccccc2)CC1 4676075 QIRCEIRTYGBFNQ-UHFFFAOYSA-N 319.408 2.990 0 50 DFAA COc1ccc(-c2nccn2[C@@H]2CCOC2)c(OC)c1OC 1857698195 HOAWLBUAJXYGFT-LLVKDONJSA-N 304.346 2.537 0 50 DFAA O=C(O)[C@H]1CCCN1Cc1cccc(OCC(F)(F)F)c1 238100570 COYOXQUMCRMVNL-GFCCVEGCSA-N 303.280 2.677 0 50 DFAA Cc1cc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(C)c1 253397413 UJQYBNFWKVKRTM-GVDBMIGSSA-N 317.429 2.614 0 50 DFAA COCc1ccc(C(=O)N[C@H](C(=O)O)c2cccc(C)c2C)o1 263176187 WOZCZKLBGRKXAD-HNNXBMFYSA-N 317.341 2.599 0 50 DFAA O=C(Cc1c[nH]ccc1=O)N1CCC[C@@H]1c1cccc(Cl)c1 2325797259 SZSZEHRCIRHLLZ-OAHLLOKOSA-N 316.788 2.935 0 50 DFAA Cc1cnc(N[C@H](C)Cc2nccn2C)nc1-c1cccnc1 2325802430 GWWKPDUMJYQDNR-CYBMUJFWSA-N 308.389 2.624 0 50 DFAA Cc1c(NC(=O)c2ccc3c(c2)C[C@@H](N)C3)c[nH]c2nccc1-2 2325856831 DVSNDBANCIYTOC-AWEZNQCLSA-N 306.369 2.501 0 50 DFAA Cn1cc(-c2nc(-c3c[nH]c4cccnc34)n(C3CCC3)n2)cn1 2325862838 KKFQGGHYUSISLC-UHFFFAOYSA-N 319.372 2.947 0 50 DFAA COc1cc([C@@H]2OC(=O)c3c2ccc(OC)c3OC)ccc1O 1506475 GGLIVZOPFCLGSH-HNNXBMFYSA-N 316.309 2.678 0 50 DFAA O=C([C@H]1CCCOC1)N1CCC2(CC1)OCCc1sccc12 2356136584 ACQZCZLFIFTVKH-ZDUSSCGKSA-N 321.442 2.565 0 50 DFAA CN(C)Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)c(CO)c1 2356146172 VKECRRRBLPDYDQ-UHFFFAOYSA-N 312.413 2.609 0 50 DFAA Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H]3C=CCN3)c2)cc1 55154152 AEAQHRQYGZTQAJ-QGZVFWFLSA-N 321.380 2.714 0 50 DFAA CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59745654 PKRGVEZVSSYLMJ-CQSZACIVSA-N 306.381 2.594 0 50 DFAA Clc1ccc(-c2noc(-c3cncc(-n4ccnn4)c3)n2)o1 347116386 QQBAUPSUGLAMJV-UHFFFAOYSA-N 314.692 2.626 0 50 DFAA CCCc1noc(CN(C)Cc2nc3ccc(F)cc3[nH]2)n1 20541411 LNNSRACOMXMNQH-UHFFFAOYSA-N 303.341 2.670 0 50 DFAA COc1cccc(OC[C@H]2CCCN(Cc3ncc[nH]3)C2)c1 65527391 MZAGFUBFOPZHRX-AWEZNQCLSA-N 301.390 2.709 0 50 DFAA C[C@@H]1SCCN(C(=O)C[C@@H](N)C2CC2)[C@@H]1c1ccccc1 328593460 YGSKOZWFBPDHCZ-MJEQTWJJSA-N 304.459 2.819 0 50 DFAA CCn1cc(Cl)c(C(=O)Nc2ccsc2C(=O)OC)n1 355948 ZEQNBOVLQXPPLN-UHFFFAOYSA-N 313.766 2.657 0 50 DFAA C[C@H](CCc1ccc(O)cc1)N1CCN(c2ccccn2)CC1 757732 JBBUQGKAJRZPQP-MRXNPFEDSA-N 311.429 2.931 0 50 DFAA Cn1cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 123422605 OPQBSOWJMAZJGR-UHFFFAOYSA-N 322.412 2.850 0 50 DFAA COc1cccc2c(N3CC[C@H](n4cncn4)C3)c(C)cnc12 365294536 QTMQBNADDYAMQJ-ZDUSSCGKSA-N 309.373 2.595 0 50 DFAA OC[C@@H]1Cc2ccccc2N(Cc2ccc(-c3cc[nH]n3)o2)C1 367799600 SEVJVMWFNYQRBI-CYBMUJFWSA-N 309.369 2.841 0 50 DFAA Cc1cc(CN2CCN(C(=O)c3occc3C(C)C)CC2)no1 284631381 WHONKTONLNUFHJ-UHFFFAOYSA-N 317.389 2.657 0 50 DFAA C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1C(N)=O 284818679 LPFQGKFKGDQKBG-CXAGYDPISA-N 308.381 2.547 0 50 DFAA O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1ccc2c(c1)OCO2 13153103 DUKKSZLDZDKYFL-CABCVRRESA-N 317.385 2.837 0 50 DFAA biogenic Cc1cc(NC[C@@H](C)Oc2cccnc2)n2nc(C)c(C)c2n1 72407717 GQUZSVLSUVRDML-GFCCVEGCSA-N 311.389 2.929 0 50 DFAA C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CC[C@H]1C(=O)O 262860481 FIPNXIFQPGHWMA-FKZRYSJHSA-N 305.349 2.798 0 50 DFAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)OCc2ccn(C)n2)o1 378556361 WDHPOTKISGLSEC-YXCITZCRSA-N 300.358 2.983 0 50 DFAA Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)OCCO3)s1 35686440 NPQPGOMWSOAXIG-UHFFFAOYSA-N 304.371 2.712 0 50 DFAA O=C(NC[C@@H](CO)CC1CCCCC1)c1ccc2[nH]ncc2c1 242339027 ZEHVSTOCUJSBCN-AWEZNQCLSA-N 315.417 2.872 0 50 DFAA O=C(Nc1cc2n(n1)CCCC2)c1cccc([C@H]2CCOC2)c1 286570145 LTMANJCKIQTGMX-HNNXBMFYSA-N 311.385 2.976 0 50 DFAA COCCN(CCOc1ccccc1)Cc1c(C)nn(C)c1C 459560170 CLTBZHGJMKAJBF-UHFFFAOYSA-N 317.433 2.564 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)C1 133067600 FXKPZKVPXOXECV-XVJNWHFHSA-N 310.353 2.571 0 50 DFAA COC[C@H](NC(=O)Nc1cccnn1)c1ccc(Cl)cc1 193588510 DVTWYTODQCJHJL-LBPRGKRZSA-N 306.753 2.639 0 50 DFAA CN(C)C(=O)c1cccnc1CC[C@H]1COc2ccccc2O1 222716108 PZZAFDQFRNKJAT-ZDUSSCGKSA-N 312.369 2.556 0 50 DFAA Cc1csc(CN(C)C(=O)[C@H](C)Sc2ccccn2)n1 84977493 ZFTAMXWHTWWPJV-NSHDSACASA-N 307.444 2.986 0 50 DFAA COc1ccc(-c2ccc3[nH]nc(N)c3c2)c(-n2cccn2)c1 426491085 SJDJAZDVZPIUKJ-UHFFFAOYSA-N 305.341 3.006 0 50 DFAA COC(=O)c1cc(-c2ccccc2F)nc2c(Cl)cnn12 20605621 BHNZPOMXGUQCGM-UHFFFAOYSA-N 305.696 2.975 0 50 DFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4ccn(C)n4)CC3)nc12 91713924 KYLNMTNHBKVKKM-UHFFFAOYSA-N 323.400 2.625 0 50 DFAA Cc1ccc(C)c(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)c1 426739733 KILAKKDJXUTFPJ-MRXNPFEDSA-N 304.434 2.996 0 50 DFAA C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C(N)=O 294198858 NTAVBPZTTLRANR-MRVWCRGKSA-N 324.371 2.586 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCc3cn[nH]c3)c2c1 95382633 LBVZCNOMAUBBSN-UHFFFAOYSA-N 308.385 2.856 0 50 DFAA CO[C@@H](C)c1cccc(-c2cc(C)nc(N3CCOCC3)n2)c1 97743414 KFYUAZVNCXSPBM-AWEZNQCLSA-N 313.401 2.996 0 50 DFAA COCc1nsc(N2CCC[C@H]2COc2ccccc2)n1 294974238 LGARRBKCZYGMLO-LBPRGKRZSA-N 305.403 2.732 0 50 DFAA O=C(N[C@H]1CCOc2c(F)cccc21)c1cnc(C2CC2)nc1 295160161 DIWWBMHFBCRDOL-AWEZNQCLSA-N 313.332 2.747 0 50 DFAA CCCc1cc(C(=O)NCc2ccc(-n3ccnc3C)cc2)[nH]n1 91690005 QJQOLHRIKDLIFK-UHFFFAOYSA-N 323.400 2.786 0 50 DFAA CCn1nc(C)cc1C(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 240971701 UBJUHMFMYCDUNB-TYNCELHUSA-N 319.430 2.515 0 50 DFAA O=C(C[C@@H]1CCCOC1)NCC1(COc2ccccc2)CC1 534658118 WNFQCBJVCQGIQC-HNNXBMFYSA-N 303.402 2.779 0 50 DFAA CC(C)SCCNC(=O)c1cccc(-c2nccc(N)n2)c1 534659700 PPMCDERKGQEQJG-UHFFFAOYSA-N 316.430 2.597 0 50 DFAA Cn1ncc2ncc(C(=O)N3CCCC[C@H]3c3ccccn3)cc21 1940197160 WEKQPCCGVLTVQI-INIZCTEOSA-N 321.384 2.731 0 50 DFAA CCc1nccn1CCC(=O)N[C@@H](C)c1c(C)nn(CC)c1C 299775601 KUJCPKNSDPPPSF-LBPRGKRZSA-N 317.437 2.546 0 50 DFAA C[C@@H](c1ccc2c(c1)OCCCO2)n1cnc2cnccc2c1=O 670455629 HJWVLIPFJIVWQQ-LBPRGKRZSA-N 323.352 2.562 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccn(C2CC2)c1=O 865918435 ICBXWJHZDFYIFC-DVOMOZLQSA-N 300.402 2.976 0 50 DFAA CCCC[C@@H](C)[C@H](C)NCc1cn([C@H]2C[C@H](C(=O)O)C2)nn1 1875305791 IOMIDQMWDVIMTB-QVHKTLOISA-N 308.426 2.618 0 50 DFAA C=CC(=O)N(Cc1ccccc1CC)CC1(OC)CCOCC1 1875374522 UWZWPERYPWZIPU-UHFFFAOYSA-N 317.429 2.959 0 50 DFAA 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315.442 2.702 0 50 DFAA C[C@@]1(O)CCCN(C(=O)NCc2csc3ccccc23)C1 408050184 IFQFHHGAARJUBJ-MRXNPFEDSA-N 304.415 2.958 0 50 DFAA N[C@H]1CCc2ccccc2N(Cc2cc(CO)ccc2F)C1 629548128 CYFSLANSXYXPAW-INIZCTEOSA-N 300.377 2.598 0 50 DFAA Cc1nn2c(CN[C@H]3CCOC[C@@H]3C)c(C(C)C)nc2s1 330338362 VHRZNINCPDDAKH-JQWIXIFHSA-N 308.451 2.737 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3cccc(F)c3Cl)C2)n1 332068448 AHUQFQCZBPEPGJ-SECBINFHSA-N 309.728 2.800 0 50 DFAA C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)s2)[C@H]1CN 237495095 RYLJSAAPBJRSHK-PWSUYJOCSA-N 300.855 2.920 0 50 DFAA C[C@@H](C(=O)N1CC[C@@](C)(C(=O)O)C1)c1cc2ccccc2o1 237458078 ZFLLLNPIOPDXRB-PIGZYNQJSA-N 301.342 2.860 0 50 DFAA CO[C@H](C(=O)N1CCC(n2cncc2C)CC1)c1ccccc1 364367487 CXMXYJVCBLRQLT-KRWDZBQOSA-N 313.401 2.743 0 50 DFAA Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c(F)c1F 901576259 YEONZBKNKUUYDL-LLVKDONJSA-N 311.328 2.990 0 50 DFAA O=C(O)[C@H]1C[C@@H]2C[C@H](NC(=O)C3(Cc4ccccc4)CC3)[C@@H]2C1 907937709 BNGPOBOLQKQTBL-QXSJWSMHSA-N 313.397 2.625 0 50 DFAA 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318.323 2.918 0 50 DFAA COc1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2C)cc1 20276193 GZIHRXRYWROTST-ZDUSSCGKSA-N 312.369 2.761 0 50 DFAA O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc2ccccc2s1 229207853 XSMCTAKRUHQLLK-HFAKWTLXSA-N 302.399 2.981 0 50 DFAA COc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 100672014 LYJUWOLHXJASTH-APIJFGDWSA-N 313.353 2.547 0 50 DFAA Cc1ccc(C(C)C)cc1OCCOCCNCCN(C)C 20418767 DEBURXIXNJDTKM-UHFFFAOYSA-N 308.466 2.665 0 50 DFAA COc1cccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(C)=O)c1 22780938 ZNDVEFQIXAWQSS-RCCFBDPRSA-N 303.402 2.910 0 50 DFAA O=C1CC[C@@H](CCNCc2ccccc2)N1Cc1ccncc1 66352121 CKWUNUPUAPMUJA-SFHVURJKSA-N 309.413 2.753 0 50 DFAA CC(C)n1cccc1C(=O)N(C)C[C@@H]1CCc2nccn2C1 328616794 CBANENZLDRFMEV-AWEZNQCLSA-N 300.406 2.600 0 50 DFAA COC(=O)[C@@H](NC1CSCCSC1)c1cccc(C)c1 67820314 KHXPDDNYCPEAFW-AWEZNQCLSA-N 311.472 2.647 0 50 DFAA CC1(C)CCC(=CC(=O)N2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 253396672 QFRCYGKMYNBNJX-BRWVUGGUSA-N 321.461 2.901 0 50 DFAA 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C[C@@H]1[C@H](NC(=O)c2ccncc2)CCCN1C(=O)OC(C)(C)C 170601282 YFYOPCFVIMIOFD-TZMCWYRMSA-N 319.405 2.599 0 50 DFAA CC[C@@H](C(=O)N(C)Cc1ccccc1SC)N1CCCC1=O 279403517 HSKBICNWDMUQLD-AWEZNQCLSA-N 320.458 2.768 0 50 DFAA CCCc1cc(NC(=O)N2C[C@H](CO)c3ccccc32)n(C)n1 585119344 DCGMBYNKZWGSLT-GFCCVEGCSA-N 314.389 2.501 0 50 DFAA CSc1nc(O)cc(CNC(=O)c2ccc(C(C)C)cc2)n1 585125831 HBDBDXSIHJNEHC-UHFFFAOYSA-N 317.414 2.958 0 50 DFAA CSc1nn(CCc2cc(Cl)cc(Cl)c2)c(=O)[nH]1 194578612 LJZUDOGDYBPIGC-UHFFFAOYSA-N 304.202 2.843 0 50 DFAA O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 365154 NCTPHYLTJCJVNE-UHFFFAOYSA-N 321.789 2.695 0 50 DFAA Cc1ccc(N[C@H](C)C[C@@H]2CC(=O)N2)c(OC[C@H]2CCCO2)c1 1615605432 SIWQCVLXAFWFGL-RBSFLKMASA-N 318.417 2.632 0 50 DFAA O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](C2(O)CC2)C1 1772806665 HUCRVNNXKIQWKD-OAHLLOKOSA-N 312.413 2.864 0 50 DFAA O=C(C1CCC1)N1CCN(Cc2ccc(F)cc2Cl)CC1 16604708 WUGQANVVFJIURN-UHFFFAOYSA-N 310.800 2.923 0 50 DFAA CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1 2884831 IYLXGPVFQNMMNI-UHFFFAOYSA-N 304.371 2.515 0 50 DFAA Cc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1C 4842336 XSPQNQNNZQODPK-UHFFFAOYSA-N 310.353 2.668 0 50 DFAA CCOc1cccc2cc([C@H](C)NC[C@]3(O)CCOC3)oc12 225549603 JIJIPGJAPDMTIV-YVEFUNNKSA-N 305.374 2.634 0 50 DFAA O=C(O)C1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 238020613 NDFLTPKHVKECSB-UHFFFAOYSA-N 305.349 2.571 0 50 DFAA C[C@@H]1CCc2sc(C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)cc2C1 248338823 RZFSCUTVPHJGLQ-IJLUTSLNSA-N 320.458 2.599 0 50 DFAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(c2ncc(Cl)cn2)C1 253395594 XUOPIOIFZJAHSR-ZWNOBZJWSA-N 311.719 2.721 0 50 DFAA CN(Cc1ccon1)C(=O)C1CCN(Cc2ccccc2)CC1 265829947 PTQSFPUTTNDFLB-UHFFFAOYSA-N 313.401 2.545 0 50 DFAA CNc1cc(N2CCC[C@@H]2CNc2ccc(Cl)cn2)ncn1 266181304 CNHZFQXVDBMYSM-GFCCVEGCSA-N 318.812 2.648 0 50 DFAA C[C@H]1C[C@@H](N=c2nc[nH]n3cccc23)CCN1Cc1ccccc1 1875288471 GLOPOMQELBBBQD-RDJZCZTQSA-N 321.428 2.616 0 50 DFAA O=C(NCC[C@H]1CCCNC1)c1cc(F)c(F)cc1Cl 170048282 NZQCRAIAOFPBSF-SECBINFHSA-N 302.752 2.738 0 50 DFAA C[C@@H]1c2nccn2CCN1C(=S)NCCCCC(F)(F)F 2325772269 MCQWJRGWJWHWOC-SNVBAGLBSA-N 320.384 2.867 0 50 DFAA CCOc1ccc2cc(C(=O)N[C@@H]3CNC4(CCC4)C3)[nH]c2c1 2325805317 AGNILRVZRHTICJ-ZDUSSCGKSA-N 313.401 2.581 0 50 DFAA Cc1cc(O[C@H]2CCN(Cc3cc4ccccn4n3)C2)ccn1 2325826264 VZMUSNGOTSENEJ-SFHVURJKSA-N 308.385 2.691 0 50 DFAA COC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCC2 138050 VJMSVPJTTIDIPT-UHFFFAOYSA-N 302.355 2.671 0 50 DFAA COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187316 DALGDMAVNXHKCK-IRXDYDNUSA-N 322.364 2.865 0 50 DFAA biogenic C[C@H](NC(=O)CC(C)(C)C(=O)O)c1ccc(-n2ccnc2)cc1 115605677 TXEDADUUDIKQAY-LBPRGKRZSA-N 315.373 2.550 0 50 DFAA COc1cc(F)c(C(=O)Nc2ccc3c(c2)CC(=O)N3)c(F)c1 20515072 STJVJRSHPIAMNP-UHFFFAOYSA-N 318.279 2.720 0 50 DFAA CCc1nc(C)c(C(=O)N[C@H](C)c2cn3ccsc3n2)o1 65508710 YRAQYLQSMRARNB-MRVPVSSYSA-N 304.375 2.746 0 50 DFAA CC1(C)CNC(=O)c2nc(Cn3ccc4ccccc43)[nH]c2C1 65507723 ZGSTWBNPTBAYTC-UHFFFAOYSA-N 308.385 2.725 0 50 DFAA COCc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 252483067 DTWXXRCOLLFQFR-UHFFFAOYSA-N 314.341 2.883 0 50 DFAA O[C@H](CN1C[C@H]2CCCC[C@]21c1ccccc1)Cn1cccn1 252517949 VOUDWAYQPHTEOV-QRVBRYPASA-N 311.429 2.645 0 50 DFAA CN(Cc1cccc(C(=O)O)n1)Cc1cccc2cccnc12 1506411274 PKPFFWIYKJPXLP-UHFFFAOYSA-N 307.353 2.960 0 50 DFAA OCC[C@H]1CN(C2CCC2)CCN1CCCc1ccccc1 20907178 YIUQFTQTVAKFKD-IBGZPJMESA-N 302.462 2.540 0 50 DFAA CNc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1 64033698 MTOIRMODEODTAH-UHFFFAOYSA-N 305.422 2.781 0 50 DFAA COC(=O)c1cc(CNc2nnc(C(F)(F)F)s2)oc1C 153613111 GZAXCDOHIJCFBN-UHFFFAOYSA-N 321.280 2.857 0 50 DFAA C[C@H]1CN(C(=O)CCc2ccc(C(F)(F)F)cc2)C[C@H](C)N1 154020391 WBBXRIGXEHQFJL-RYUDHWBXSA-N 314.351 2.847 0 50 DFAA N[C@@H]1CC[C@@H](Nc2cc(-c3ccccc3F)nc3ccnn23)C1 72480086 ROOGYLIVOAVNJQ-VXGBXAGGSA-N 311.364 2.827 0 50 DFAA CCc1onc(C)c1NC(=O)NCc1ccc(C(=O)O)cc1 263094122 SXELEABVBDYPDP-UHFFFAOYSA-N 303.318 2.565 0 50 DFAA CC[C@](C)(CNC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C)OC 455321572 BBKMJCYHLFIPSN-XJKSGUPXSA-N 308.426 2.688 0 50 DFAA Cc1nsc2ncn(Cc3cc(-c4ccccc4)on3)c(=O)c12 339117679 FTHUPAUECUGZEC-UHFFFAOYSA-N 324.365 2.865 0 50 DFAA C[C@@H](CN1CCC[C@H](N(C)CC(=O)O)CC1)c1ccc(F)cc1 263465899 CQGYXSLQDKSAQU-YOEHRIQHSA-N 322.424 2.800 0 50 DFAA c1ccc(CN2CC[C@@H](CNCc3cnc(C4CC4)nc3)C2)cc1 459524429 KFGBGSVTLNRSPI-KRWDZBQOSA-N 322.456 2.966 0 50 DFAA CCCSc1ncc(CN2CCCn3cncc3C2)cn1 72140500 HYSZUTKRVFCELP-UHFFFAOYSA-N 303.435 2.581 0 50 DFAA Cc1cccc([C@H](NC(=O)c2ccc(C)cc2F)C(=O)O)c1 223951117 VYBWCNLBGVYQCS-HNNXBMFYSA-N 301.317 2.998 0 50 DFAA Cc1ccc(CN(C)C(=O)NC[C@@H](C)Oc2cccnc2)o1 426511998 DMRDIDGVTKGZQH-CYBMUJFWSA-N 303.362 2.592 0 50 DFAA OC[C@@]12CCC[C@@H]1CN(Cc1cc(O)c3cc(F)ccc3n1)C2 91486332 OFPWPXPYCXSFNG-XIKOKIGWSA-N 316.376 2.674 0 50 DFAA CCc1nc(C)sc1C(=O)NC[C@@H]1COc2ccccc2C1 91602414 MGBFFGUDDRGZCF-GFCCVEGCSA-N 316.426 2.995 0 50 DFAA O=C1COc2cccc(OCc3cnn(-c4ccccc4)c3)c2N1 180761705 YMMSJNDJMNLEEX-UHFFFAOYSA-N 321.336 2.782 0 50 DFAA CC(C)(C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1 243892568 AIZLQRCZVLAQHG-QGPMSJSTSA-N 324.424 2.988 0 50 DFAA CC[C@H](NC(=O)CCSCc1ccccc1)[C@H]1C[C@H](O)C1 244633475 GDQGXNVQEHNZSX-JYJNAYRXSA-N 307.459 2.976 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)ccc1F 299343613 HUEIBQDESXYGNK-FZZIBODNSA-N 309.312 2.823 0 50 DFAA Cn1ccnc1[C@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)C1CC1 534582515 PWVNPHXASRMHRT-MRXNPFEDSA-N 321.384 2.691 0 50 DFAA Cc1nc(-c2cccc(NC(=O)Cc3c(C)noc3C)c2)n[nH]1 360552961 MPSXOTXKJLXKMV-UHFFFAOYSA-N 311.345 2.566 0 50 DFAA CC[C@H](NC(=O)CCc1csc(N)n1)c1nc(C)c(C)s1 299775684 MOHJJUYROXHFKZ-NSHDSACASA-N 324.475 2.999 0 50 DFAA CCOc1ccc(Cl)cc1CN(C)C(=O)Nc1cn(C)nn1 299783366 ZZSZTLIUHXDPLF-UHFFFAOYSA-N 323.784 2.531 0 50 DFAA Nc1nc(CCCNC(=O)Nc2ccc3c(c2)CCC3)cs1 299777691 OAWYMMMVHZNUGM-UHFFFAOYSA-N 316.430 2.968 0 50 DFAA CCOC(=O)N1CC[C@@H](NCc2coc(-c3ccccc3)n2)C1 495423991 FTEDTTNWZRDVKC-CQSZACIVSA-N 315.373 2.662 0 50 DFAA CCc1nnc(SCC(=O)NC2CCCCC2)n1C1CC1 670417510 FQHOJQVBASBWCP-UHFFFAOYSA-N 308.451 2.716 0 50 DFAA Cc1cccc(-c2noc([C@H]3CS[C@@]4(C)CCC(=O)N34)n2)n1 952993790 JZLSJLISZSKUJD-ABAIWWIYSA-N 316.386 2.567 0 50 DFAA COc1cccc([C@H](C)C(=O)NCc2ccsc2C(=O)O)c1 1875286089 FRRHZFUOIULRGL-JTQLQIEISA-N 319.382 2.875 0 50 DFAA c1ccc([C@@H](NCc2nnc3n2CCCCC3)c2cnc[nH]2)cc1 1875285062 BQVDIZOXIZJENS-GOSISDBHSA-N 322.416 2.607 0 50 DFAA C[C@@H]1CN(C(=O)N(C)c2ncccc2Br)C[C@H]1C 1875316611 CIOJDKRWYAOHNT-NXEZZACHSA-N 312.211 2.988 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)c2ccsc2)C1 958527572 DDXCQCBDUZKTEG-DOMZBBRYSA-N 312.435 2.510 0 50 DFAA CC(C)[C@H]1OCC[C@H]1C(=O)NC(C)(C)c1ccc2c(c1)OCO2 885721932 UYEBXOSNSMVMKT-CZUORRHYSA-N 319.401 2.828 0 50 DFAA NC(=O)[C@H]1CC[C@H](CNCc2csc(-c3ccco3)n2)CC1 1775986529 MGLRLHYESVPPTH-HAQNSBGRSA-N 319.430 2.784 0 50 DFAA CC(C)OCc1cc(C(=O)N2CCC[C@H]3CNC[C@H]32)ccc1F 1776002598 OJECNKNCAIBGMP-WMLDXEAASA-N 320.408 2.575 0 50 DFAA Cc1cc(NC(=O)N2CCc3cc(F)ccc32)cc(C(N)=O)c1 1365057495 SRFRHIBFTYQGEE-UHFFFAOYSA-N 313.332 2.828 0 50 DFAA O=C(O)c1ccn(-c2ccccc2NC(=O)[C@H]2C[C@@H]2C2CC2)n1 170066403 BCCYWVIZVQYTKM-NEPJUHHUSA-N 311.341 2.555 0 50 DFAA CCC(CC)N1C[C@@H](C(=O)Nc2ccc3[nH]ncc3c2)CC1=O 171422058 PUHZPWHWMWEOQA-LBPRGKRZSA-N 314.389 2.539 0 50 DFAA COc1cc2c(N3CC[S@@](=O)C[C@H](C)C3)ccnc2cc1F 281342776 BSMHNGNMKYGUAW-RKFFSXRUSA-N 322.405 2.587 0 50 DFAA C[C@@]1(CO)CN(Cc2ccc(F)c3ccccc23)C[C@]1(C)CO 639352743 RIYIYIZNKMYCNP-KDURUIRLSA-N 317.404 2.792 0 50 DFAA C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)C1CCC(C)(C)CC1 408274808 OYAUPLGQFOUUQM-ZDUSSCGKSA-N 315.479 2.771 0 50 DFAA O=C(Cc1ccc(O)c(F)c1)N1CCOC2(CCCCC2)C1 408519529 GLLGLMSKROOSGN-UHFFFAOYSA-N 307.365 2.636 0 50 DFAA C[C@@]1(C(=O)NCC2(c3ccc(F)cc3F)CC2)CCCNC1 195554909 GKBDQVFXEXDSSD-MRXNPFEDSA-N 308.372 2.502 0 50 DFAA Cc1ccsc1CN(C)C(=O)c1nc(N)nc2c1CCCC2 1506430916 DNDDDTFOBFHUEL-UHFFFAOYSA-N 316.430 2.580 0 50 DFAA CCc1nccn1C[C@@H](C)N1CC(Oc2ccccc2F)C1 1506410673 WIDOHLNIBQKEEY-CYBMUJFWSA-N 303.381 2.736 0 50 DFAA Cc1nc(N2CCC[C@@H](CN3CCCC3=O)C2)ccc1Cl 1506426737 IZSVFTFUUPGGTH-CYBMUJFWSA-N 307.825 2.882 0 50 DFAA Cc1nc(Cl)c(C(=O)N2CC[C@H](F)C2)cc1Br 1615547548 BJZMBAWNULACED-ZETCQYMHSA-N 321.577 2.990 0 50 DFAA C[C@@H](Oc1ccc([S@](C)(=N)=O)cc1)C(=O)N1CCCCCC1 1615588880 UIKABWFYDFAHQG-MCMMXHMISA-N 324.446 2.892 0 50 DFAA C[C@H]1CN(c2nccc(Sc3ccccn3)n2)C[C@@H](C)O1 1615627320 JQUGVSFWXHSGJL-TXEJJXNPSA-N 302.403 2.636 0 50 DFAA O=C(c1cccc(F)c1)N1CCN(c2ccccc2F)CC1 484419 FTHUMCCNNKEOEE-UHFFFAOYSA-N 302.324 2.927 0 50 DFAA O=C(Cc1ccccc1F)NCc1ccccc1Cn1cccn1 14903429 HNXNZRDWSWMTBM-UHFFFAOYSA-N 323.371 2.929 0 50 DFAA C[C@H]1C[C@@H](C)CN(C(=O)CCC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 16226258 GUBBWOQSMITJTH-GEEKYZPCSA-N 308.466 2.776 0 50 DFAA CCCCNC(=O)N[C@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2 4171544 YSGIOGYRVWQLRA-GNFNDJEDSA-N 322.449 2.844 0 50 DFAA Nc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1 203692125 XXSDLQLNIVFIJI-UHFFFAOYSA-N 319.372 2.607 0 50 DFAA in-vitro CN(C)c1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)cn1 154423803 NOMDWFRRCCDGQZ-UHFFFAOYSA-N 321.384 2.645 0 50 DFAA c1cn(CC[C@H]2CCOC2)c(-c2ccc3c(c2)OCCO3)n1 1857724718 OLDFOKBMIYJYCS-ZDUSSCGKSA-N 300.358 2.748 0 50 DFAA Cc1cc(C(=O)N2CCN[C@@H](c3cccnc3)C2)ccc1Cl 328586267 JHAQRZUGKORZEI-MRXNPFEDSA-N 315.804 2.830 0 50 DFAA Cc1noc(C)c1C(=O)N[C@](C)(CC(=O)O)c1cccc(F)c1 448990990 AHSKRQIYLUYBCH-MRXNPFEDSA-N 320.320 2.550 0 50 DFAA CSc1nc(O)cc(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)n1 630030600 DNYAOUHMOMXXHO-QWRGUYRKSA-N 323.462 2.983 0 50 DFAA O=C(O)C1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CC1 630297906 ROQNUFJDXDOCFJ-UHFFFAOYSA-N 307.777 2.911 0 50 DFAA C[C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)Cc2ccccc2O1 452128501 UQHZFVFQHVNDAC-CYBMUJFWSA-N 311.385 2.643 0 50 DFAA O=C(NC1(C(=O)O)CCSCC1)[C@H]1CCCc2ccccc21 262123948 JCXUZVWJMGPKBI-AWEZNQCLSA-N 319.426 2.573 0 50 DFAA CC(C)(C)c1cc(C(=O)N[C@]23CCCCC[C@@H]2NCC3)on1 2325775037 TZPFOHZDUMBVPA-GUYCJALGSA-N 305.422 2.767 0 50 DFAA c1cc2c(-c3noc(COC[C@H]4CCCOC4)n3)cc[nH]c-2n1 2325788841 KMZARUPJWSADQY-NSHDSACASA-N 314.345 2.508 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)CNCC(C)C)cc2)c1C 2325795655 RSLOBSXHGZILGH-UHFFFAOYSA-N 300.406 2.673 0 50 DFAA O=S(=O)(Cc1cncnc1)Cc1cc(Cl)ccc1Cl 2325850027 JTOIJMLYTQSSFM-UHFFFAOYSA-N 317.197 2.898 0 50 DFAA CCc1ccc2[nH]ccc(=NCc3nnc4ccccn34)c2c1 2325859106 ODZBKIYZGGHBMQ-UHFFFAOYSA-N 303.369 2.874 0 50 DFAA COc1ccccc1N1CCN(C(=O)c2cccc(C)c2)CC1 208016 AOJDUARFBUTVRM-UHFFFAOYSA-N 310.397 2.966 0 50 DFAA Cc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)n(C)n1 427936 AOAAQIPOQIAMQM-UHFFFAOYSA-N 324.413 2.927 0 50 DFAA COc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1Cl 463139 FGSUCPZJQVCDFX-UHFFFAOYSA-N 304.733 2.700 0 50 DFAA Nn1c(Cc2ccccc2)nc2c3c(sc2c1=O)CCCC3 477003 NFNMLBNPFRJABR-UHFFFAOYSA-N 311.410 2.641 0 50 DFAA C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(Cl)cc1 616743 AZUXRFXROWWFJY-ZCFIWIBFSA-N 314.823 2.893 0 50 DFAA O=C(c1ccccc1-c1ncc[nH]1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356154954 QVXGFVCQESSMEY-WDNDVIMCSA-N 311.385 2.595 0 50 DFAA CC(=O)c1cccc(NC(=O)CSc2nccc(C)n2)c1 2848190 ICFINRJNELIQAX-UHFFFAOYSA-N 301.371 2.718 0 50 DFAA COC1(CN(C)C)CCN(Cc2ccc3ccn(C)c3c2)CC1 2356167002 QVCJACYHQAKUIM-UHFFFAOYSA-N 315.461 2.721 0 50 DFAA COc1cc(CO)c(Cl)cc1OCC(=O)Nc1ccccc1 4857260 KEGLEFLGVBRQRF-UHFFFAOYSA-N 321.760 2.858 0 50 DFAA O=C(c1c(F)cccc1F)N1CCN(c2ccccc2)CC1 6124807 MMIPNPPKNJPRJD-UHFFFAOYSA-N 302.324 2.927 0 50 DFAA O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccco1 6660556 PWFHLNJENBMYSL-UHFFFAOYSA-N 303.705 2.913 0 50 DFAA CCc1nnc(SCC(=O)N2CCc3ccccc32)n1CC 6701409 KZCCUNYJKAHGJV-UHFFFAOYSA-N 316.430 2.542 0 50 DFAA O=C(O)CCC1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 315416693 JFJOTLPIKXOZJN-UHFFFAOYSA-N 301.386 2.892 0 50 DFAA O=C(CCc1ccccc1F)NCc1ccc2c(c1)OCO2 8273466 XHAZMCGTJVTIJO-UHFFFAOYSA-N 301.317 2.803 0 50 DFAA O=C(O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 50919423 KVEWKZXDSGFUCL-SNVBAGLBSA-N 301.264 2.529 0 50 DFAA Cc1ncc(Cl)c(C(=O)Nc2ccccc2-n2cccn2)n1 151660079 GBHYLJYMBLXVDV-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA CCOc1cccc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)c1 65436349 ZCZYKOFLZOUAGT-ZWKOTPCHSA-N 305.418 2.508 0 50 DFAA CCOc1cccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)c1 65453890 KILCCCGRGCVMNQ-HNNXBMFYSA-N 321.380 2.885 0 50 DFAA Cc1cc(Br)cnc1NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 333837945 MUXBTVHPQLFSOC-JMJZKYOTSA-N 323.190 2.706 0 50 DFAA Cc1ccc(S(=O)(=O)Oc2ccccc2-c2nnco2)cc1 3181020 FWOOGPFIIVUEPL-UHFFFAOYSA-N 316.338 2.813 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2Cl)C1 237948950 NJRCPPYIFDZWNF-SNVBAGLBSA-N 316.184 2.859 0 50 DFAA COc1ncc(CN2CCOC[C@H]2c2ccc(F)cc2)c(C)n1 451802801 UCOFGFXUTVRXHW-INIZCTEOSA-N 317.364 2.506 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@](F)(c2ccccc2F)C1 367235332 BJBCTDQYRZHZLD-QGZVFWFLSA-N 319.355 2.805 0 50 DFAA Cc1nsc(C)c1C(=O)N1CCC(Cc2ncc[nH]2)CC1 333389870 CVBFIADUVKZJCD-UHFFFAOYSA-N 304.419 2.578 0 50 DFAA COc1cc(C(=O)N2CCC[C@H](C(=O)O)[C@@H]2C)ccc1Cl 263096520 ASDIKVUDNSOQMX-ONGXEEELSA-N 311.765 2.674 0 50 DFAA CC(C)[C@](C)(CC(=O)O)NC(=O)c1cccc([C@H]2CCOC2)c1 263027236 QQOVJFNKBCJNHG-YJBOKZPZSA-N 319.401 2.810 0 50 DFAA CN(C(=O)COc1cccc2c1CCCC2)[C@@H]1CCCC[C@@H]1O 72119407 XYGLVFJUPMUBOD-SJORKVTESA-N 317.429 2.706 0 50 DFAA Cc1ccc(NC(=O)C(=O)Nc2ccc3nccnc3c2)c(C)c1 157039056 BJLAPDQMVSPUDI-UHFFFAOYSA-N 320.352 2.824 0 50 DFAA C[C@H](NC[C@@H]1CCC[C@H]1O)c1ccc(N2CCCC2=O)cc1 242346948 ZKMGESZZBHENLM-JLJPHGGASA-N 302.418 2.625 0 50 DFAA CC(C)N(CCOCCO)C(=O)Nc1cc(Cl)ccc1F 338408841 JTPFFAZRRRPCIN-UHFFFAOYSA-N 318.776 2.730 0 50 DFAA COCCc1noc(CN2Cc3ccccc3SC[C@@H]2C)n1 375406833 WJWOFWMHSCTSCY-LBPRGKRZSA-N 319.430 2.755 0 50 DFAA Cc1ccc(OC[C@@H](O)CN[C@H](C)CC(F)(F)F)c(C)c1 32518050 XKTIWABYXSGJJR-OLZOCXBDSA-N 305.340 2.974 0 50 DFAA CSCC[C@H](NC(=O)CCc1ccc(C)c(C)c1)C(=O)O 426398266 YWFZGTFGDVECAK-AWEZNQCLSA-N 309.431 2.559 0 50 DFAA COc1ccc(-c2ccc(C(=O)N[C@H](C(=O)O)C(C)C)o2)cc1 426651436 WXBBAZVASSKAJT-HNNXBMFYSA-N 317.341 2.794 0 50 DFAA Cc1ccnc(CNC(=O)CC2CC(C)(C)NC(C)(C)C2)c1 97288840 FGUZHYQHRFIHIP-UHFFFAOYSA-N 303.450 2.953 0 50 DFAA C[C@@H](Oc1ccc(F)cc1F)c1nc(-c2cccnn2)no1 91846735 KHVFDIDNIMSVST-MRVPVSSYSA-N 304.256 2.945 0 50 DFAA COC(=O)c1cc(=O)c2cc(OCc3ccccc3)ccc2[nH]1 95628784 ISEUSWBMFAUWGC-UHFFFAOYSA-N 309.321 2.894 0 50 DFAA O=C(c1sc2cccc(F)c2c1Cl)N1C[C@@H]2C[C@H]1CN2 91595489 NFDRGOCLSLHBKF-YUMQZZPRSA-N 310.781 2.880 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cnc(-c2ccsc2)s1 299740463 AWSQPXDTWDBLOZ-VIFPVBQESA-N 308.384 2.561 0 50 DFAA Cc1ccc(C)n1CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 253413778 VQHXPYTYBNLTNQ-WMZOPIPTSA-N 304.434 2.649 0 50 DFAA biogenic c1ccc([C@H]2COCCN2CC2CCC3(CC2)OCCO3)cc1 253427987 BYDCDPIPUKDZEZ-GOSISDBHSA-N 317.429 2.993 0 50 DFAA COC1(C(=O)N(C)C[C@@H]2COc3ccccc3O2)CCCCC1 184790527 WLLAIYCCHPIFKS-CQSZACIVSA-N 319.401 2.634 0 50 DFAA CCOc1ccc([C@H](C)NC(=O)CCc2ccnn2C)cc1F 534635070 CVARNMWQUGHQGM-LBPRGKRZSA-N 319.380 2.768 0 50 DFAA Cn1ncc2ncc(C(=O)N3CC[C@@H]3c3ccc(F)cc3)cc21 1940193737 VADZPOCYXXGUGI-OAHLLOKOSA-N 310.332 2.695 0 50 DFAA O=C(Cn1cccn1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 299767741 JMMUJSCSWUNSPD-CQSZACIVSA-N 303.793 2.943 0 50 DFAA O=C1CC[C@@H](N2CCSCC2)CCN1Cc1ccccc1 299801481 YQQQAJMBDIEGKZ-MRXNPFEDSA-N 304.459 2.617 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)Nc1ccc2ncsc2c1 299763142 ZOFNHEJIFFWUHM-UHFFFAOYSA-N 320.418 2.723 0 50 DFAA CC(C)c1nccn1CCCNC(=O)c1ccncc1Cl 299760767 XEAYCBHEPPNSFD-UHFFFAOYSA-N 306.797 2.875 0 50 DFAA O=C1C[C@H](C(=O)N(CCc2ccccc2)C2CCCCC2)CN1 828302753 ZUNWNRRSFXCYAG-INIZCTEOSA-N 314.429 2.527 0 50 DFAA CCc1cccc2[nH]c(C(=O)NC3CN(c4ccccn4)C3)cc12 1875344115 DTQQDKOXDKXVNI-UHFFFAOYSA-N 320.396 2.744 0 50 DFAA O=C(N=c1nc(C2CC2)[nH]s1)N1CCC[C@@H]1c1cccnc1 1875267667 VNOTWQBISAWIRQ-GFCCVEGCSA-N 315.402 2.601 0 50 DFAA Cc1nnc(CCCC(=O)NCc2ccccc2C(C)C)n1C 1875264600 WJIITQULRDZWIL-UHFFFAOYSA-N 314.433 2.886 0 50 DFAA CCn1ncnc1CN(C)CC1(N2CCCCC2)CCCCC1 952967405 HOCOIOJCMWSTNK-UHFFFAOYSA-N 319.497 2.919 0 50 DFAA CC(C)c1[nH]ccc1C(=O)N1CCc2occc2[C@H]1C(=O)O 1773282994 MOHCQUNXULKNEM-AWEZNQCLSA-N 302.330 2.555 0 50 DFAA Cc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)cnc1F 1349492108 QKLJJVKAOXUWSP-UHFFFAOYSA-N 324.359 2.687 0 50 DFAA O=C1CCCN1c1ccc(OCCO[C@H]2CCCCO2)cc1 170616314 HNQJQFJHBNLHRB-KRWDZBQOSA-N 305.374 2.735 0 50 DFAA CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 171033565 IGGBXLLVRJSSLA-OAHLLOKOSA-N 302.418 2.540 0 50 DFAA O=C(Nc1ccc(N2CCOC2=O)cc1)[C@H](O)C1CCCCC1 187409973 MGTDYKWDSZZJJY-OAHLLOKOSA-N 318.373 2.523 0 50 DFAA Cc1cc(N2CCN(CC[C@@H]3CCCO3)CC2)nc(C(C)C)n1 188693594 UQGWTGKOBUWHHT-INIZCTEOSA-N 318.465 2.600 0 50 DFAA O=C(NCCCCO)Nc1ncc(-c2ccccc2F)s1 585119848 XFPCKAMJXFWJRN-UHFFFAOYSA-N 309.366 2.843 0 50 DFAA CCCOc1cccc(-c2noc(C3(C(=O)NC)CCC3)n2)c1 680732491 VZXMRDWEGIRZDQ-UHFFFAOYSA-N 315.373 2.693 0 50 DFAA Cc1ncc(CC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)o1 639845011 HZOAKXSBRLNIFY-SUMWQHHRSA-N 314.385 2.823 0 50 DFAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1cccnc1Cl 195541857 KABWFTRKGCSZFD-CYBMUJFWSA-N 316.744 2.559 0 50 DFAA CCC[C@]1(CO)CCN(Cc2ccc(Cl)cc2F)C[C@H]1O 1529101678 LGAQNECXALPODF-HZPDHXFCSA-N 315.816 2.825 0 50 DFAA CCOC(=O)CCSCc1ccc(C(=O)OC)cc1OC 1875341137 HTXIXVVQCWPZFZ-UHFFFAOYSA-N 312.387 2.668 0 50 DFAA Cc1cc(C(=O)N2CC[C@](C(=O)O)(c3ccccc3)C2)cc(C)n1 1607571058 WAFHXQMKKOQCEY-LJQANCHMSA-N 324.380 2.567 0 50 DFAA CC1=CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)OCC1 1704337161 XNBYKIZUFIQEPN-UHFFFAOYSA-N 323.396 2.971 0 50 DFAA C[C@H](Oc1ccc(C(=O)NOC[C@@H](C)O)cc1)c1ccccc1 1615586565 OPTHOHULKTUBEU-KGLIPLIRSA-N 315.369 2.869 0 50 DFAA CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1cccc2c1ccn2C 1615571499 JYEPPINOXUNADY-IRXDYDNUSA-N 312.417 2.879 0 50 DFAA COC(=O)c1ccc(Oc2cccc(F)c2CN)c(OC)c1 1582939641 KOZUTFVFCHMZDQ-UHFFFAOYSA-N 305.305 2.872 0 50 DFAA CC(=O)c1cnc(NCc2ccc(N3CCCC3=O)cc2)nc1C 1772701722 MMBJZSAKWWQYRS-UHFFFAOYSA-N 324.384 2.727 0 50 DFAA COc1ccc(Cc2nnc3n2-c2ccccc2COC3)cc1 1772817741 VXKPJQVSIULQQW-UHFFFAOYSA-N 307.353 2.897 0 50 DFAA Cc1cccc(-c2nc(CN3CCCN(C=O)CC3)c(C)o2)c1 19837931 OUTFOWOEGTYLKY-UHFFFAOYSA-N 313.401 2.623 0 50 DFAA CCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 19893856 KJTQTGVXYMUFNC-SAPNQHFASA-N 308.381 2.984 0 50 DFAA CCOC(=O)c1ccnc(Cl)c1I 167801254 HJZMEOYKHZSCFQ-UHFFFAOYSA-N 311.506 2.516 0 50 DFAA Fc1cccc(OC[C@H]2CCCN(CC3COCCOC3)C2)c1 1857685356 SFQIYFDSAMOZCL-HNNXBMFYSA-N 323.408 2.580 0 50 DFAA O=C1OCCN1c1cccc(-n2ccnc2-c2cnsc2)c1 1857696429 ZYEQTWSZQMLIAU-UHFFFAOYSA-N 312.354 2.952 0 50 DFAA c1ccc(-c2n[nH]c3c2CCN(C[C@H]2CCCOC2)CC3)cc1 1857713167 GLPSHRKTHRMVPJ-OAHLLOKOSA-N 311.429 2.904 0 50 DFAA Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 379268 BKBNYLKOGOUJOY-UHFFFAOYSA-N 319.382 2.875 0 50 DFAA CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCSC1 127331251 YWCPJQPKQXWUBY-CYBMUJFWSA-N 306.431 2.542 0 50 DFAA CC[C@H](COc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CO)CC1 245316748 KMWMLPRITFFNBA-OAGGEKHMSA-N 320.433 2.694 0 50 DFAA Cc1cncc(S(=O)(=O)Nc2noc(C(C)(C)C)c2C)c1 1875279945 MDUJXPDVCLKZMV-UHFFFAOYSA-N 309.391 2.785 0 50 DFAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc2ccccc2c1 353197354 YNRPLYOQTPPLGD-ROUUACIJSA-N 313.397 2.693 0 50 DFAA CC(C)Oc1nccnc1N1CCC[C@](O)(C(F)(F)F)CC1 376262471 QSYWMUYCQUEDII-CYBMUJFWSA-N 319.327 2.548 0 50 DFAA O=C(O)CC1(CN2CCC([C@@H](O)c3ccccc3)CC2)CC1 846234682 VVSWJFYGWHALGS-KRWDZBQOSA-N 303.402 2.687 0 50 DFAA CCc1ccc([C@@H]2CCCN2[C@H](C)C(=O)NC[C@H]2CCCO2)o1 265467808 OOGYPDORENBHRZ-BMFZPTHFSA-N 320.433 2.663 0 50 DFAA COc1cn(CN2CCC[C@H]2c2csc(C)n2)c(C)cc1=O 902228555 IVZGXAPFFAMIBW-AWEZNQCLSA-N 319.430 2.725 0 50 DFAA Cc1noc(C(F)F)c1C(=O)N[C@@H](c1ncccn1)C1CC1 906231850 GEYLJLQUVGUSLI-SNVBAGLBSA-N 308.288 2.592 0 50 DFAA Cc1ccc(C(=O)N[C@@H]2CC[C@H](CC(=O)O)C2)c2c1CCC2 908383806 TXGPRSKRBAXZJO-QWHCGFSZSA-N 301.386 2.857 0 50 DFAA COc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 207051 YVFRVCROXKXSAL-UHFFFAOYSA-N 303.265 2.818 0 50 DFAA O=C1C[C@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 100204215 QIGLHWAASGTIIN-HNNXBMFYSA-N 323.348 2.533 0 50 DFAA O=C(O)[C@H]1CN(c2ncnc3[nH]c4ccccc4c23)CC12CCC2 2325755099 GCIZFGPLNCVZMB-GFCCVEGCSA-N 322.368 2.802 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1coc(C2CCCCC2)n1 2325769463 GRLDDSJACITFFY-BZPMIXESSA-N 318.373 2.800 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CNC[C@@H](C)C3)cc2)c1C 2325795510 JKJYSFUTVOLALE-WFASDCNBSA-N 312.417 2.673 0 50 DFAA CSCC(=O)NCc1nc2cc(Cl)c(Cl)cc2[nH]1 2325810662 WPNNYTQWZHAVSG-UHFFFAOYSA-N 304.202 2.849 0 50 DFAA Cn1cc(C(=O)Nc2ccc(CN)c(F)c2)c(-c2ccco2)n1 2325857228 UJSQDDJJGBDSLS-UHFFFAOYSA-N 314.320 2.530 0 50 DFAA C[C@@H](NC(=O)c1conc1CN)c1ccc(-c2ccncc2)cc1 2325858471 OMOBXBZKZOWWRC-GFCCVEGCSA-N 322.368 2.686 0 50 DFAA Cc1nnc(Cc2cccc(-c3cccn4[nH]c(=N)cc34)c2)o1 2325860374 GJFMXOFNBYUMHV-UHFFFAOYSA-N 305.341 2.696 0 50 DFAA CC(C)(C)OC[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 895660428 RPADJNNHMQNJIF-ZDUSSCGKSA-N 315.421 2.786 0 50 DFAA Cc1ccc(C)c(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c1 1072349 AAQWTUUEADRPSD-KRWDZBQOSA-N 322.408 2.973 0 50 DFAA O=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1O 1392021 WVRLXMOLXLRHOE-UHFFFAOYSA-N 303.261 2.639 0 50 DFAA CCC[C@@]1(CO)CN(Cc2cccc3cc[nH]c23)CC[C@@H]1O 2356163234 SZSDHJGCGYJIFA-WMZOPIPTSA-N 302.418 2.513 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)c(C)c1 4385223 YUFDJZKKUOCUST-ZDUSSCGKSA-N 313.357 2.591 0 50 DFAA Cc1ccc(-n2c(CN3CCSCC3)n[nH]c2=S)cc1 4798019 ROQJFQXTYVUONB-UHFFFAOYSA-N 306.460 2.787 0 50 DFAA O=S(=O)(c1ccc2ccccc2c1)n1nnc2ccccc21 4838127 OVVIAVYTCFHRMA-UHFFFAOYSA-N 309.350 2.822 0 50 DFAA COc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1C 4970487 LEZGLKKXEOFTCS-UHFFFAOYSA-N 306.387 2.816 0 50 DFAA CO[C@H](CNC(=O)c1nnn(CC2CCCC2)c1C)CC(C)C 416053783 DZIGYXHRFGBSIB-HNNXBMFYSA-N 322.453 2.568 0 50 DFAA NC(=O)[C@@H]1CC[C@@H](c2ccc(OCc3ccccc3F)cc2)N1 113543589 JESCETIFNOFKEU-IRXDYDNUSA-N 314.360 2.683 0 50 DFAA CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 247929498 FHKYQOFFQUIRDT-DFBGVHRSSA-N 320.820 2.859 0 50 DFAA Cc1cc(F)c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1F 135789398 BJIMMVVIZOWTDI-CYBMUJFWSA-N 318.323 2.962 0 50 DFAA C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](C(=O)O)C1 136167115 UXXGHWIGMAGPRH-OCCSQVGLSA-N 307.365 2.718 0 50 DFAA CC(C)Cc1cc(-c2nc(CCc3ccccc3)n[nH]2)nc(N)n1 65385296 SAEVBSGVOVJYCU-UHFFFAOYSA-N 322.416 2.828 0 50 DFAA CC(=O)N1CCC(NCc2cccc(Br)c2)CC1 23280329 FNHWANNBGKWVMK-UHFFFAOYSA-N 311.223 2.550 0 50 DFAA Cc1nc(CN2CCC[C@H]2c2nc(-c3ccccn3)no2)co1 77406390 YNHWKWADWMDLAD-AWEZNQCLSA-N 311.345 2.765 0 50 DFAA C[C@H](C(=O)Nc1cnc2n1CCCC2)N(C)C1CCCCC1 67908185 KEQWHQYQVXCSLJ-CYBMUJFWSA-N 304.438 2.811 0 50 DFAA CC(C)N1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO 20996203 JCMPIWLFAZATLO-INIZCTEOSA-N 302.418 2.710 0 50 DFAA CC(C)Oc1ncccc1C(=O)N(C(C)C)C1CCOCC1 252511072 ZTBDXRWOKHYBJN-UHFFFAOYSA-N 306.406 2.898 0 50 DFAA Cc1cc(NC(=O)C2CCC(O)CC2)cnc1N1CCCCC1 252505979 VULHWVVQBYPFAK-UHFFFAOYSA-N 317.433 2.870 0 50 DFAA O=C(Nc1cccnc1)C(=O)NC1(c2ccccc2)CCCC1 354467208 KPNHVSOKPMXRSP-UHFFFAOYSA-N 309.369 2.606 0 50 DFAA CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1(C)C 229530205 BUFJIMXFLQPGNB-BRWVUGGUSA-N 322.493 2.698 0 50 DFAA O=C([C@@H]1CCCOC1)N1CCC[C@@H]1COc1ccc(F)cc1 328586417 QDZKHVGGGLPTNG-UKRRQHHQSA-N 307.365 2.622 0 50 DFAA CC(=O)c1ccc(N2CCC(C(=O)NCC3CC3)CC2)cc1 4052227 SZUFHNMPGCHTKP-UHFFFAOYSA-N 300.402 2.632 0 50 DFAA COC[C@H]1CCCN(C(=O)CCc2ccc(N(C)C)cc2)C1 219321276 LAVXXNGHQHJFKP-INIZCTEOSA-N 304.434 2.570 0 50 DFAA Cc1ccc(F)cc1NC(=O)N1CCC[C@@H](Cn2ccnn2)C1 154503075 JKQULZUSBKHNDW-CYBMUJFWSA-N 317.368 2.670 0 50 DFAA C[C@@H]1CCN(C(=O)Nc2ccc(F)cn2)C[C@H]1n1ccnc1 123424179 VFAFKADCDVDWJO-DGCLKSJQSA-N 303.341 2.532 0 50 DFAA Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](N2CCCC2)C1 363991713 IBMLEDGXWJNSKY-QGZVFWFLSA-N 316.445 2.769 0 50 DFAA COC1(CC(=O)N[C@H]2CCCc3cnn(C(C)C)c32)CCC1 364511341 MIAHQQQWMVHUKW-AWEZNQCLSA-N 305.422 2.917 0 50 DFAA CC[C@H](C(=O)Nc1cccc2ccc(O)cc12)N1CCCC1=O 154971697 VRNKKLZUKHPMNT-MRXNPFEDSA-N 312.369 2.885 0 50 DFAA O=C(Cc1ccsc1)N1CCN(c2ccc(Cl)cn2)CC1 77469946 AFSDIPYOHABKKS-UHFFFAOYSA-N 321.833 2.688 0 50 DFAA Cn1cnnc1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 77319327 JQJILUDTWGJUIS-HNNXBMFYSA-N 316.380 2.641 0 50 DFAA CN1CCc2nc3ccccc3c(C(=O)NCCC3CC3)c2C1 443927397 ZMASPKWFNDASKH-UHFFFAOYSA-N 309.413 2.753 0 50 DFAA CC(C)c1cc(NCC[C@@H]2CCCN(C)C2)n2nccc2n1 72408818 VADAVLZFVJOYOR-AWEZNQCLSA-N 301.438 2.997 0 50 DFAA COC(=O)c1coc(CN(C)[C@@H](C)c2nc(C)sc2C)n1 77456367 MEBBFFSHYRCZPN-QMMMGPOBSA-N 309.391 2.728 0 50 DFAA COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2[C@@H](C)N)cc1F 237303719 WSKXZXNFAJYSGS-DERGHVRDSA-N 306.381 2.576 0 50 DFAA C[C@@H]1CCCN(C(=O)/C=C/c2ccc3ccccc3n2)[C@H]1CN 237425036 GXJZYKPZBDYHGR-UTBWHBDQSA-N 309.413 2.834 0 50 DFAA Cc1ccc(CCC(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C)c(C)c1 263275037 WNWFQDMXICQTCG-HOCLYGCPSA-N 303.402 2.948 0 50 DFAA Cc1ccc(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)nc1C 458760595 ZJUQSROPQOBKIT-INIZCTEOSA-N 318.465 2.618 0 50 DFAA Cn1ccnc1-c1nccn1[C@@H]1CCCN(Cc2cccnc2)C1 77354456 USVRFCKIXUENMV-MRXNPFEDSA-N 322.416 2.516 0 50 DFAA CC(=O)c1ccc(-c2cc(NCCN(C)C)nc3[nH]ccc23)nc1 72148699 HQNRDSIXGWBWBP-UHFFFAOYSA-N 323.400 2.801 0 50 DFAA CCO[C@H]1CN(c2nc(-c3ccc(F)cc3)cs2)C[C@@H]1O 220446339 NPHCXUGJQNQXNH-KBPBESRZSA-N 308.378 2.535 0 50 DFAA CC[C@@H](NC(=O)c1ccc(-c2nccn2C)cc1)c1cnn(C)c1 426575028 NHOIMGZZKPZDRV-MRXNPFEDSA-N 323.400 2.702 0 50 DFAA Cc1nnc(CN(C)Cc2cccc(OCc3ccccn3)c2)o1 97610031 HOIHBNRSDWEEPA-UHFFFAOYSA-N 324.384 2.984 0 50 DFAA Cc1cccc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c1 295368946 SLLHDOZHFPUYPT-AWEZNQCLSA-N 319.430 2.500 0 50 DFAA O=C([C@H]1CCOC1)N(CCc1ccccc1)Cc1ccccn1 97156098 KBSFMAZHKQONDK-KRWDZBQOSA-N 310.397 2.689 0 50 DFAA Cc1nc(CN(C)Cc2nc(-c3ccccn3)no2)cs1 244734477 NGGGCVGRSWWUIL-UHFFFAOYSA-N 301.375 2.529 0 50 DFAA CCn1cc(CN(CC(C)C)C(=O)c2cncc(F)c2)cn1 244734401 NEXBOGSQLOXTIH-UHFFFAOYSA-N 304.369 2.736 0 50 DFAA CN(Cc1ccc2nonc2c1)Cc1noc(C2CCCC2)n1 244893996 YXXKYMOEOHANFS-UHFFFAOYSA-N 313.361 2.895 0 50 DFAA C[C@H](Cn1ccnc1)NCCc1csc(-c2ccncc2)n1 534642364 MZTOUUSLSVDOLQ-CYBMUJFWSA-N 313.430 2.622 0 50 DFAA O=C(OCc1ccccc1)N1C[C@H](CO)CC[C@@H]1C(F)(F)F 261507872 NCKZYIHLZZGRGW-CHWSQXEVSA-N 317.307 2.958 0 50 DFAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cncnc1N 185462472 FRDNFUMABNZVLW-JTQLQIEISA-N 319.434 2.780 0 50 DFAA CCCn1ncnc1[C@@H](C)NC(=O)CCc1cccc(F)c1 299799517 SBFXWJSFXFQMLZ-GFCCVEGCSA-N 304.369 2.637 0 50 DFAA COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)cc1 824678961 AYKCUXLBGGECSW-TUVASFSCSA-N 313.353 2.547 0 50 DFAA CCc1nn(C)c2c(=O)n([C@H](C)Cc3ccsc3)cnc12 584894961 YBTFDNKAJQYIIC-SNVBAGLBSA-N 302.403 2.558 0 50 DFAA O=C(Nc1c[nH]nc1C1CC1)c1ccnc2[nH]c(CC3CC3)nc12 1875271726 NEQWKMOFPFUJGL-UHFFFAOYSA-N 322.372 2.763 0 50 DFAA CSCC1CN(C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 1875301205 DLLQATFALMYYLJ-LBPRGKRZSA-N 319.348 2.560 0 50 DFAA CN1CC[C@](C)(C(=O)Nc2ccccc2CN2CCCC2)C1 952965130 RZRHAFRIPLCNAY-SFHVURJKSA-N 301.434 2.563 0 50 DFAA COCC(=O)Nc1ccc(NC(=O)c2cccnc2C)cc1C 952978031 WQNJUBGJLLGAIN-UHFFFAOYSA-N 313.357 2.536 0 50 DFAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)C(C)=C2CCCC2)C1 886077746 DVDYWDQREKOGMD-ZACQAIPSSA-N 306.450 2.635 0 50 DFAA O=C(O)[C@H]1Cc2ccc(O)cc2CN1C(=O)OC1CCCCC1 1774294012 OHXRWPIJIWWVAE-OAHLLOKOSA-N 319.357 2.673 0 50 DFAA O=C(NCc1ccc(CCO)cc1)NC1CCC(F)(F)CC1 893901254 IWOSXULZMOJOGH-UHFFFAOYSA-N 312.360 2.599 0 50 DFAA CC(C)c1nc(CNC(=O)N(C)[C@H](C(=O)O)C(C)C)cs1 95864733 ZPYTXNWBSXDVAG-NSHDSACASA-N 313.423 2.517 0 50 DFAA in-vitro COc1ccc2c(c1)C[C@H](NC[C@H]1CCc3nccn3C1)CC2 275613919 REFIKHXSUACGSU-RHSMWYFYSA-N 311.429 2.601 0 50 DFAA CCc1ccc([C@@H](CO)NC2CCC3(CC2)OCCO3)cc1 170081339 GHWPXXHFOCLHHM-QGZVFWFLSA-N 305.418 2.558 0 50 DFAA O=C(NN1C[C@@H](c2ccc(F)cc2F)OC1=O)c1ccccc1 170619025 QNPWUDNEUNDRFO-AWEZNQCLSA-N 318.279 2.803 0 50 DFAA COc1cc(COC(=O)c2cn(C(C)(C)C)nn2)ccc1F 170611782 OPHSTJVFPBQUJW-UHFFFAOYSA-N 307.325 2.538 0 50 DFAA CCOCCC(=O)N1CCC(CN2CCc3ccccc32)CC1 111107412 DHKKLTYINGLZNW-UHFFFAOYSA-N 316.445 2.714 0 50 DFAA Cc1cc(Cl)c(NC(=O)N[C@@H](C)C(=O)N(C)C)cc1Cl 192357991 GCGCOVVVWSCYSG-QMMMGPOBSA-N 318.204 2.900 0 50 DFAA CC(C)c1[nH]ncc1C(=O)NC[C@@](C)(O)c1cccc(Cl)c1 194013470 ZUWNCCJBUCBIRQ-MRXNPFEDSA-N 321.808 2.824 0 50 DFAA CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCCCO 1615590378 NOASYIXQJJHBQC-CABCVRRESA-N 314.470 2.630 0 50 DFAA CN1C[C@@H](C(=O)Nc2ccc(F)cc2F)[C@@H](C(F)(F)F)C1 1616037595 DOMMJJYFOSJBNP-BDAKNGLRSA-N 308.250 2.643 0 50 DFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 1775979599 KEMXCRKNMRNOLI-SCAQPMJSSA-N 311.429 2.896 0 50 DFAA O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)C(F)(F)F 5512493 XSSQNTJYQBQTJO-UHFFFAOYSA-N 300.158 2.688 0 50 DFAA Sc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1 5687924 NUPVMAUQPHWUKV-UHFFFAOYSA-N 307.382 2.954 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)/C=C\c2ccccc2)n1 12413489 FWNPYSRPJFKXGP-HJWRWDBZSA-N 316.382 2.901 0 50 DFAA CCN(CC)[C@@H]1CCN(c2nncc(-c3cccc(F)c3)n2)C1 12704090 CCAKPNHAJBCESS-OAHLLOKOSA-N 315.396 2.598 0 50 DFAA CCSc1nnc([C@H](C)NC(=O)/C=C/c2cccs2)n1C 14882423 ONMIHCOWAXBHLR-JARNTUPDSA-N 322.459 2.879 0 50 DFAA C[C@H]1CN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 16662252 RPWQXDQJMQKTLU-UXLLHSPISA-N 321.461 2.833 0 50 DFAA COc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1 19773869 HOLVMUKXTWFNRK-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA O=C(Nc1ccc2c(c1)CCC2)[C@H]1[C@H]2C=C[C@@H]([C@H]3C[C@H]32)[C@H]1C(=O)O 169619158 XEWYGWDVCSWDJS-ZCVDQKGDSA-N 323.392 2.883 0 50 DFAA COc1ccc(-c2nccn2CCc2cnn(C)c2)c(F)c1 1857672081 ITPNJFFCJZUBHU-UHFFFAOYSA-N 300.337 2.674 0 50 DFAA CCn1nc(C2CCCC2)nc1[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857717648 RADYXQWACIYBMR-RRFJBIMHSA-N 304.438 2.580 0 50 DFAA OC1CCN(c2ccnc(-c3cnc4cc(F)ccc4c3)n2)CC1 1875243542 LKTIYXDNNXXZMX-UHFFFAOYSA-N 324.359 2.792 0 50 DFAA COC(=O)[C@@H]1CCc2nnc(-c3ccc(Cl)cc3)n2CC1 601045363 WMGVTUBCRXMFDA-LLVKDONJSA-N 305.765 2.724 0 50 DFAA Cc1occc1C(=O)Nc1ccccc1-n1ccc(C(=O)O)n1 225459763 GUSMQVPUFQSQJQ-UHFFFAOYSA-N 311.297 2.724 0 50 DFAA O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)c1ccsn1 451684638 JGIBXNZIBLWMID-HNNXBMFYSA-N 322.817 2.928 0 50 DFAA CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)c1ccc(F)cn1 818997658 HYXWIAWFLNVGKY-DOTOQJQBSA-N 316.376 2.930 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2noc(C)n2)cc1 1252144124 BYNNJLRVCAUKJC-AWEZNQCLSA-N 321.402 2.602 0 50 DFAA COc1ccc(NC(=O)CCSc2nnc(C)s2)cc1 110201 PQBAWRFAQAULHS-UHFFFAOYSA-N 309.416 2.976 0 50 DFAA Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H]1C[C@H](S(C)(=O)=O)C1 2325807288 OFQIXGUXRHFRHC-KQTLUZQSSA-N 307.459 2.956 0 50 DFAA O=C(O)CCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 64841 YFICWXXIIZUJIY-UHFFFAOYSA-N 319.357 2.979 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cc2ccccc2o1 303274 KSWJCIJABFIRIM-GOSISDBHSA-N 307.305 2.846 0 50 DFAA CC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1 615326 HTONHNHALQSHEZ-UHFFFAOYSA-N 313.382 2.772 0 50 DFAA COc1ccc(-c2nnc(NC(=O)c3cc(C)on3)s2)cc1 1054727 HBAKYYPAFFDXGL-UHFFFAOYSA-N 316.342 2.762 0 50 DFAA aggregator Cc1ccc(F)c(-c2cnc3c(N4CCOCC4)nccn23)c1 2356159222 RGPFYLOMCUXSOH-UHFFFAOYSA-N 312.348 2.680 0 50 DFAA C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@H]1CCCCNC1=O 4021834 DPWPMPRNAHEOPT-RISCZKNCSA-N 314.351 2.895 0 50 DFAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nccs1 7276870 DHBZIZPTHFPYRA-JTQLQIEISA-N 309.416 2.598 0 50 DFAA Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccncc3)cc2c1 8782287 OEIZCCZULFMPIZ-UHFFFAOYSA-N 307.353 2.504 0 50 DFAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)CCN1CCCCO1 55036376 CUHBGPMFIOYSQI-CYBMUJFWSA-N 306.410 2.519 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1/C(C)=C/c1ccccc1 9331957 PEONDIBDGXIWFJ-AUECHBEKSA-N 300.358 2.608 0 50 DFAA C[C@H](C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)n1cccc1 137741011 IFTDVTQPVQYXBK-ZIAGYGMSSA-N 321.421 2.565 0 50 DFAA COc1c(F)ccc(-c2nc(CC3CCN(C)CC3)no2)c1F 67804331 MLHMPEPAAUVWIF-UHFFFAOYSA-N 323.343 2.908 0 50 DFAA CC(C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1 67676015 FQVZCSSYXSSRKD-CQSZACIVSA-N 307.413 2.745 0 50 DFAA C[C@@H]1CCN(C(=O)NCc2ccc(F)cc2)C[C@@H]1n1ccnc1 127852528 PDXOZTJVMXTXBV-CJNGLKHVSA-N 316.380 2.815 0 50 DFAA CCN(CC)C(=O)c1cc(CN(C)CCc2ccccc2)on1 67947387 OWHCFXHYWAMXGB-UHFFFAOYSA-N 315.417 2.831 0 50 DFAA c1ccc(CCc2noc([C@H]3OCC[C@H]3Cn3cccn3)n2)cc1 328621956 ICCYZWUWXVJYHC-RDJZCZTQSA-N 324.384 2.829 0 50 DFAA Cc1cccc(-n2nc(CC(C)C)nc2CCC(=O)N(C)C)c1 65386110 JHEYVKHRUIASOE-UHFFFAOYSA-N 314.433 2.795 0 50 DFAA CCc1ccsc1C(=O)N(C)C[C@H]1CCn2ccnc2C1 328636598 VOTXFPCEIIYVSG-LBPRGKRZSA-N 303.431 2.842 0 50 DFAA C[C@H](NC(=O)NOCC(C)(C)O)c1c(F)cccc1Cl 253425191 QKAZWIIZKKHGNM-QMMMGPOBSA-N 304.749 2.542 0 50 DFAA O=S(=O)(CC1CCC1)N[C@H]1CCCOc2ccc(F)cc21 329145176 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CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCC[C@@H]1N 237170737 DQGZKULHGYTRTM-RYUDHWBXSA-N 316.323 2.671 0 50 DFAA CCCC(=O)N1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 35655467 NVADANGCKIMQEL-UHFFFAOYSA-N 310.344 2.942 0 50 DFAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CC1CCNCC1 237530586 UNJFQGGCHQLDJZ-SPYBWZPUSA-N 316.445 2.753 0 50 DFAA CCC1(CO)CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 334108346 ZUHNVLUBCGVRNY-OAHLLOKOSA-N 324.465 2.530 0 50 DFAA CCn1nnc(C)c1CN[C@@H](COC)c1cccc(Cl)c1 449327078 BNVAUEQMFUXPRN-AWEZNQCLSA-N 308.813 2.737 0 50 DFAA O[C@]1(C(F)(F)F)CCCN(Cc2cnn3ccccc23)CC1 289534832 HVGUHYCBCQRKBI-CQSZACIVSA-N 313.323 2.614 0 50 DFAA Cc1ccc(-c2cncc(C(=O)N[C@@H](C)c3nc[nH]n3)c2)cc1 176674883 WBCQZWXIIQWWSW-LBPRGKRZSA-N 307.357 2.666 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)CCc2ccoc2)c1 337522547 WKDZBCGFHSZIJT-WBVHZDCISA-N 315.369 2.555 0 50 DFAA Cc1cc(C(=O)N[C@H](C)c2n[nH]c(C)n2)c2cccc(C)c2n1 82120669 IAIIOTMGQCLETK-LLVKDONJSA-N 309.373 2.769 0 50 DFAA Cc1nccnc1N1CCO[C@H](c2cccc(OC(F)F)c2)C1 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Cc1nc(CC(C)C)sc1C(=O)N1CCC(C(=O)O)CC1 299747667 DQBDHHRYHXZSAT-UHFFFAOYSA-N 310.419 2.587 0 50 DFAA COCC(C)(C)C(=O)N1CCC2(CC1)OCCc1ccsc12 352729746 BYJAEOMQOUXOEE-UHFFFAOYSA-N 323.458 2.811 0 50 DFAA Cc1c(C(=O)O)cnn1-c1ncc2c(n1)-c1ccccc1SC2 299789134 WHFYNNBFCZYKJL-UHFFFAOYSA-N 324.365 2.942 0 50 DFAA COc1ccc(-c2cc(CNC(=O)[C@H]3CCCCO3)no2)cc1 299779702 SKNZDVQCYWBIKC-OAHLLOKOSA-N 316.357 2.536 0 50 DFAA CC(=O)c1cc2c(N(C)C[C@@H]3CCCN(C)C3)nccc2o1 585134663 FCOZUWSTSFSXPY-CYBMUJFWSA-N 301.390 2.808 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 269031738 MYMCLYWSKAGFTM-UGSOOPFHSA-N 301.386 2.505 0 50 DFAA CC(C)(CC(F)(F)F)NC(=O)c1[nH]nnc1-c1ccccc1 1875276157 XMNBWHOYVLNDHN-UHFFFAOYSA-N 312.295 2.933 0 50 DFAA COc1cc2[nH]c(=NCc3ccc(C)nc3C)[nH]c2cc1OC 1875280183 YPENWQKKQXREOG-UHFFFAOYSA-N 312.373 2.626 0 50 DFAA C[C@@](O)(Cn1ncc2nc(Br)ccc21)C(F)(F)F 1875279307 ORMNFWSYLQFKEG-SECBINFHSA-N 324.100 2.507 0 50 DFAA C[C@@H](CCN(C)[C@@H](C(=O)O)C1CCOCC1)c1ccccc1 1875283609 XSKMHGLBEJGFCE-WMLDXEAASA-N 305.418 2.992 0 50 DFAA CN[C@H](CO)c1cccc(-c2ccc3cnn(C(C)=O)c3c2)c1 1875309667 HLLRSCBVPQOYTL-QGZVFWFLSA-N 309.369 2.616 0 50 DFAA C[C@]1(CC2CCCC2)CCCN1S(=O)(=O)c1cncc(N)c1 1875404650 PQBMWESISKWLOK-MRXNPFEDSA-N 323.462 2.787 0 50 DFAA COc1ccc2[nH]cc(CCNC(=O)c3csc(C)n3)c2c1 952968777 NVBUTPYMUCCBJN-UHFFFAOYSA-N 315.398 2.914 0 50 DFAA CC[C@@H](Oc1ccccc1C)C(=O)NCCc1ccns1 881504399 LTXAWRYHNPEDAL-CQSZACIVSA-N 304.415 2.968 0 50 DFAA COc1cc(Cl)cc(CN2C[C@@H](O)[C@H](F)C2)c1OC(C)C 952979993 SZKUZGCZXWHSBG-CHWSQXEVSA-N 317.788 2.650 0 50 DFAA Fc1cccc2nc(NC[C@@H]3CCN3C3CCOCC3)oc12 896525502 LJZYUOTVSPYHSM-LBPRGKRZSA-N 305.353 2.632 0 50 DFAA Cc1cccc2c1CCN(C(=O)[C@H]1CCn3c(cnc3C)C1)C2 1364047393 GDDDPQCZMIFPHY-HNNXBMFYSA-N 309.413 2.647 0 50 DFAA Cc1ccncc1NC(=O)c1ccc(C)c(N2CCOCC2)c1 630929158 SZMSISNRCKWXRW-UHFFFAOYSA-N 311.385 2.787 0 50 DFAA CC1CCC(O)(Cn2cnc3c(NC(C)C)ncnc32)CC1 170003207 HELNBPNYZJGYDC-UHFFFAOYSA-N 303.410 2.588 0 50 DFAA FC(F)CN(Cc1ccc(CN2CCOCC2)cc1)C1CC1 408521882 YEDZXGURQWNLMR-UHFFFAOYSA-N 310.388 2.748 0 50 DFAA Cc1ccn2cc(C(=O)NC[C@H](c3ccccc3)N(C)C)nc2c1 170599817 CBJVEWMJUDUTPI-QGZVFWFLSA-N 322.412 2.675 0 50 DFAA C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc([S@](C)=O)cc1 170657786 RPTDYDVWBQYMLJ-KEQGGVEFSA-N 317.454 2.678 0 50 DFAA CC[C@@H](c1ccccc1)S(=O)(=O)[C@H](C)c1nnnn1C1CC1 191054236 DKLRRBSHXIQVAT-RISCZKNCSA-N 320.418 2.635 0 50 DFAA Cc1nnsc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 191501696 VJERMWFBPFLLEU-GHMZBOCLSA-N 323.443 2.636 0 50 DFAA CO[C@@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)CC[C@H]1C 192620728 XATAUXGIZAWDON-PRHODGIISA-N 301.745 2.682 0 50 DFAA CC[C@H](Nc1cccnc1Cl)C(=O)Nc1nnc(C)s1 585131912 JWBBIZIMTACIOO-QMMMGPOBSA-N 311.798 2.724 0 50 DFAA CO[C@H]1CN(C2Cc3ccccc3C2)C[C@H]1Cc1cc(C)no1 1529119952 OPHFXEWPPWDGMK-APWZRJJASA-N 312.413 2.640 0 50 DFAA CCc1ccc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)s1 1704308435 RLQNVVGHRYVPSH-UHFFFAOYSA-N 320.462 2.546 0 50 DFAA C[C@H](O)C[C@H]1CCCN1C(=O)c1cccc([C@]2(C)CCO2)c1 1615549782 ODMOGDJSXAIADW-XCRHUMRWSA-N 303.402 2.698 0 50 DFAA Cc1ccc(CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 5049935 SMPDXAAYWOCQPC-UHFFFAOYSA-N 316.788 2.581 0 50 DFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2cc(C)cc(C)c2)n1 5154918 YGBJGEIHXRHCFD-UHFFFAOYSA-N 317.414 2.680 0 50 DFAA CN(C(=O)c1ccccc1Br)[C@H]1CCCC[C@@H]1O 16625170 SWJKGITVNAVWEY-STQMWFEESA-N 312.207 2.825 0 50 DFAA CCOc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1OCC 18323576 QKDUZHKFXGTZDF-BETUJISGSA-N 307.390 2.733 0 50 DFAA CCOC(=O)[C@@H](C)c1cn2cc(Br)sc2n1 306127302 FUTSWPJKCJMKIF-LURJTMIESA-N 303.181 2.825 0 50 DFAA in-vitro C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccccc1 2025306 JYIZIPDLLGKGTA-GFCCVEGCSA-N 316.788 2.834 0 50 DFAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 124271839 BLFJHWSTWSHFOW-QWRGUYRKSA-N 308.403 2.674 0 50 DFAA Cn1nccc1[C@@H]1OCCC[C@H]1CNc1nc2ccccc2[nH]1 657465296 YFRQQZSTWHSNDA-BLLLJJGKSA-N 311.389 2.876 0 50 DFAA CN1CCC(Oc2ccc(CNC(=O)c3ccoc3)cc2)CC1 252508319 XJYXEEXAIGLHSM-UHFFFAOYSA-N 314.385 2.683 0 50 DFAA COC(=O)c1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1F 366443971 QLLAEFQKSYFFJI-OAHLLOKOSA-N 321.392 2.861 0 50 DFAA CCc1cnc(NS(=O)(=O)CCc2cccc(F)c2)s1 903605454 NCDBFLFIDOYYRF-UHFFFAOYSA-N 314.407 2.829 0 50 DFAA CC(C)Cc1ncc(-c2nc(Cc3cncn3C)no2)s1 904033853 RRNFZRPMYFJVSO-UHFFFAOYSA-N 303.391 2.716 0 50 DFAA C[C@H](CC(=O)N1CC[C@@H](CC(=O)O)C1)c1c[nH]c2ccccc12 2325769502 KWEHALJEKFJDAW-OLZOCXBDSA-N 314.385 2.985 0 50 DFAA O=C(Nc1c[nH]c2ccccc12)c1c[nH]nc1C1CCNCC1 2325791056 OVJOZAIYECWADR-UHFFFAOYSA-N 309.373 2.610 0 50 DFAA COC(=O)c1cc(NC(=O)NC2[C@@H](C)[C@@H]2C)cc2[nH]ccc12 2325797372 KQRPCMDGGVIIFM-IUCAKERBSA-N 301.346 2.730 0 50 DFAA O=C(O)CSc1nnc(-c2ccco2)n1-c1ccccc1 135357 AHAPZORVJXZWPX-UHFFFAOYSA-N 301.327 2.704 0 50 DFAA CCCn1nnc(C(=O)N2CCCCC2)c1-c1ccccc1O 201592 DZJKURSRJQHEQZ-UHFFFAOYSA-N 314.389 2.687 0 50 DFAA Cc1ccc(NS(=O)(=O)c2ccc3nsnc3c2)cc1 302917 LEPNYJXTSLEVEL-UHFFFAOYSA-N 305.384 2.801 0 50 DFAA CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)NC(=O)N1 432512 WURVCCMXSOTURR-AWEZNQCLSA-N 306.337 2.797 0 50 DFAA O=S1(=O)N=C(Nc2nc3c(s2)CCCC3)c2ccccc21 617118 GCORWAMTSXQCDG-UHFFFAOYSA-N 319.411 2.583 0 50 DFAA O=C(O)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1 4237860 DTVJQXLOBLQNJS-LURJTMIESA-N 307.655 2.796 0 50 DFAA COc1cc(C(=O)Nn2c(C)ccc2C)cc(OC)c1OC 4840555 MXIOBJCLQJZKFP-UHFFFAOYSA-N 304.346 2.515 0 50 DFAA COc1cc(/C=C2/[C@@H](O)C3CCN2CC3)cc(Cl)c1OC 4869951 KBAIITFVWXNVSH-ODDCISTRSA-N 309.793 2.785 0 50 DFAA COc1ccc(-c2noc(CN(C)C(=O)C(C)(C)C)n2)cc1 4943844 UMRZPMYWDJBEOX-UHFFFAOYSA-N 303.362 2.750 0 50 DFAA CCCc1nnc2sc(Cc3ccc(OC)c(OC)c3)nn12 6668947 ZMAUAEPJKRQUDU-UHFFFAOYSA-N 318.402 2.746 0 50 DFAA NC(=O)[C@H](NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccccc1 247748711 RJYIBWBRAMIQPB-OTWHNJEPSA-N 324.424 2.971 0 50 DFAA COCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 10155096 AOMPZGUGHVKHGF-HUUCEWRRSA-N 321.373 2.541 0 50 DFAA CCOc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCC3)cc1 103706057 FCVZNMURXHOFCC-UHFFFAOYSA-N 301.366 2.893 0 50 DFAA COc1cc(Cl)c(Cl)cc1C(=O)N1[C@H]2COC[C@H]1C2 348118402 YOOMYMZUQQUEPJ-HTQZYQBOSA-N 302.157 2.615 0 50 DFAA O=C(NCCCN1CCc2ccccc21)c1cc(Cl)c[nH]1 29522172 SGGPAOUIEUSXGS-UHFFFAOYSA-N 303.793 2.851 0 50 DFAA COCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 26547307 LAWODWHZTNEQSY-UHFFFAOYSA-N 307.371 2.642 0 50 DFAA Cn1ncc2cc(-n3c(CCC(=O)O)nc4ccccc43)ccc21 67833778 SOTJCJUBKQWSLD-UHFFFAOYSA-N 320.352 2.929 0 50 DFAA Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O)o3)ccc12 200926 WSXGFKXUWAEWCJ-UHFFFAOYSA-N 300.266 2.972 0 50 DFAA biogenic COC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 1391122 BJLHALAGRXDHQK-UHFFFAOYSA-N 311.259 2.702 0 50 DFAA CCC(=O)N1CC[C@H](N[C@@H]2CCCc3nc(CC)sc32)C1 126544287 ZYONKOPUOMJUFV-NWDGAFQWSA-N 307.463 2.683 0 50 DFAA CCn1c([C@H](C)Cn2cc(Br)cn2)n[nH]c1=S 8339813 ISEWCZYXWRJINK-SSDOTTSWSA-N 316.228 2.723 0 50 DFAA CO[C@@H]1C[C@@H](CO)N(Cc2ccc(-c3ccc(F)cc3)o2)C1 284673550 XLDHAYOGTKNCGK-GOEBONIOSA-N 305.349 2.667 0 50 DFAA Cn1cccc1[C@H]1CCCCN1C(=O)CNC(=O)CC(C)(C)C 174403147 FSCUMNLJHMQMIJ-OAHLLOKOSA-N 319.449 2.631 0 50 DFAA CC(C)c1noc(-c2ccc(N3CCN4CCC[C@@H]4C3)nc2)n1 39447796 KTTCSAMJMIBZRB-CQSZACIVSA-N 313.405 2.539 0 50 DFAA O=C(O)Cc1ccc(NC(=O)c2cc(C3CC3)no2)cc1F 263109136 DHSFQBNSLWCHBW-UHFFFAOYSA-N 304.277 2.571 0 50 DFAA O=C(Cc1cccs1)N1CCCC[C@H]1CCn1cccn1 77298004 VXEQJZWVYJSBHT-AWEZNQCLSA-N 303.431 2.959 0 50 DFAA O=C(c1cc(F)ccc1-c1ccoc1)N1C[C@H](O)C2(CC2)C1 375676854 WTRLDBAWYIZECM-HNNXBMFYSA-N 301.317 2.683 0 50 DFAA O=C(c1ccon1)N1CCC[C@@H](COc2ccc(F)cc2)C1 77299730 JPMDHGNGDYPUOJ-GFCCVEGCSA-N 304.321 2.745 0 50 DFAA C[C@@H]1CN(c2ncnc3sc4ccccc4c23)CC(=O)N1C 336912805 ZHOULAGPHDMNKW-SNVBAGLBSA-N 312.398 2.511 0 50 DFAA Cc1cnc(Cn2ccnc2-c2ccc(-n3ccnc3)cc2)cn1 71708039 MGOUOGQVIAWWAA-UHFFFAOYSA-N 316.368 2.883 0 50 DFAA OC[C@]1(O)CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 72127415 JZVDBPKXJWSTSX-NRFANRHFSA-N 323.436 2.967 0 50 DFAA CCCn1cnnc1[C@@H](C)NC(=O)c1cccc(OC(F)F)c1 219300810 RQWNOCKVHAOLBX-SNVBAGLBSA-N 324.331 2.781 0 50 DFAA Cc1n[nH]c(C)c1CCNC(=O)CCc1ccc(F)c(F)c1 215497569 UTHMHDRDZVVQPS-UHFFFAOYSA-N 307.344 2.596 0 50 DFAA O=C(c1ccc2ncccc2c1)N1CC[C@@](O)(c2ccccc2)C1 219582524 GXSZDKOLKVYPNY-FQEVSTJZSA-N 318.376 2.969 0 50 DFAA COCCc1cc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)n(C)n1 341519218 DZZDRCVWMBBRBR-HOCLYGCPSA-N 313.401 2.741 0 50 DFAA C[C@@H](C(=O)NCc1ccccn1)n1ccnc1-c1ccccc1 133152546 UXESOXJYPHZWFK-AWEZNQCLSA-N 306.369 2.823 0 50 DFAA Cc1ccc(CN2CCC[C@@H](c3ccn(CCO)n3)C2)s1 426374114 CCQNAENDFYGJKK-CQSZACIVSA-N 305.447 2.625 0 50 DFAA C[C@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@H](C)S1(=O)=O 290800182 OYNBVKFULZDMBY-QWRGUYRKSA-N 324.833 2.900 0 50 DFAA Cc1cc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c(C)n1C 292339514 KLBKROBFPNUTPD-CYBMUJFWSA-N 303.450 2.588 0 50 DFAA CC1(C)C[C@@H](NC(=O)[C@@](C)(O)c2ccc(Cl)cc2)CCO1 293692030 XQIIRPQRALQSOP-BBRMVZONSA-N 311.809 2.621 0 50 DFAA Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC23CCNCC3)s1 237598950 ZPYMDAAVYYAYKH-AAEUAGOBSA-N 307.463 2.669 0 50 DFAA CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 236982210 YLEFKENQIFYOLP-OTYXRUKQSA-N 323.824 2.544 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)cc1Cl 91858818 JVLKCSCDYUCXEO-DIFFPNOSSA-N 323.820 2.972 0 50 DFAA O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1CCCc2[nH]ncc21 180579897 QQOSLTXTLPACOC-SECBINFHSA-N 310.279 2.882 0 50 DFAA CN1CCC[C@H]1CC(=O)N1CCC(c2cccc(O)c2)CC1 97813840 BKCVUOYCFAWLIE-INIZCTEOSA-N 302.418 2.583 0 50 DFAA CCCCn1ccnc1C1CCN(CCC(=O)NC2CC2)CC1 91793154 VJPHQZIAUXLSMW-UHFFFAOYSA-N 318.465 2.531 0 50 DFAA COC(=O)c1ccc2ccn(Cc3ccncc3C)c(=O)c2c1 95392064 VYQHGQQKMQEHOA-UHFFFAOYSA-N 308.337 2.540 0 50 DFAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)nc12 91974253 LKWQAHSQZSDVNL-CYBMUJFWSA-N 323.400 2.625 0 50 DFAA CCCC[C@@H](C)C(=O)Nc1cccc(C2CC(=O)NC(=O)C2)c1 295859646 WYMNSKLOCRKUQS-GFCCVEGCSA-N 316.401 2.972 0 50 DFAA Cc1nc(CCN2CCC[C@@H](C(=O)c3ccccn3)C2)cs1 244700837 JUYHZTAHLADFEP-CQSZACIVSA-N 315.442 2.984 0 50 DFAA C[C@H](C(=O)Nc1nncs1)N(C)C/C=C/c1ccccc1 252500499 SWUXZOQPSHCKGN-UVMWJGKXSA-N 302.403 2.510 0 50 DFAA C[C@@H]1CN(C(=O)Nc2ncn(C3CCCCC3)n2)CC(C)(C)O1 184564156 LPPGVQXGQNRDPE-GFCCVEGCSA-N 321.425 2.815 0 50 DFAA Cc1cccc(N2CCC(NC(=O)Nc3cnn(C)c3)CC2)c1 299789625 ZUSUTHMVANBUGE-UHFFFAOYSA-N 313.405 2.519 0 50 DFAA COc1ccnc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1 269748143 BIKMXUVHXAHZSN-GUYCJALGSA-N 320.339 2.676 0 50 DFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C2(O)CC2)CC1 652670548 VZSFGPGIZBQDLL-GFCCVEGCSA-N 323.820 2.871 0 50 DFAA COc1ccc2[nH]c(CNC(=O)CCCc3cn[nH]c3)cc2c1 824758637 XWMYKOPVIFYEKF-UHFFFAOYSA-N 312.373 2.539 0 50 DFAA Cc1nc([C@@H](C)N2CCN(C)CC2)n(-c2cccc(Cl)c2)n1 823789470 UTYNYGJDJVBLJL-GFCCVEGCSA-N 319.840 2.538 0 50 DFAA O=C1CC[C@@H](CN2CCC(Oc3cccc(Cl)c3)CC2)O1 670458561 DBRRHZJECGUSAG-HNNXBMFYSA-N 309.793 2.889 0 50 DFAA Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cncs2)C1 670471473 USRDAKLIQWQKHA-AWEZNQCLSA-N 315.442 2.671 0 50 DFAA Cc1nc([C@@H]2CCCCCN2C)n(-c2cccc(C(=O)O)c2)n1 670434391 GGLBOZMWJSWTLJ-HNNXBMFYSA-N 314.389 2.821 0 50 DFAA CC(C)c1nc([C@H]2CN(Cc3ccon3)C[C@@H]2C2CC2)n[nH]1 952851853 XPECMZMGBUMINY-KGLIPLIRSA-N 301.394 2.542 0 50 DFAA 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CCNc1nc(C(=O)N2CCC([C@H]3CCCO3)CC2)cs1 276002118 ORXLAPGOBLHOQJ-CYBMUJFWSA-N 309.435 2.606 0 50 DFAA Cn1cncc1[C@@H]1C[C@H](NC(=O)C2=CCCCCC2)CCO1 276365449 SCKXYKXGGVWCHD-ZBFHGGJFSA-N 303.406 2.647 0 50 DFAA O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccccc1O 169531728 GHNYPJSGSRLYPM-UHFFFAOYSA-N 311.190 2.749 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccccc1-n1ccnc1 277419670 USPGDEKTISMNLM-WBVHZDCISA-N 313.401 2.694 0 50 DFAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(OC)c(OC)c1 277759197 KFZYIQHQSAPGTL-UONOGXRCSA-N 307.390 2.525 0 50 DFAA Cc1ccc(CNc2ccc(-n3cc(CO)nn3)cc2)c(C)c1 170594585 RBLOKFMDGAAVAD-UHFFFAOYSA-N 308.385 2.989 0 50 DFAA CC[C@H](N[C@@H]1CCc2nc(COC)nn2C1)c1ccccc1F 170593038 COZATSBHYUTXSO-DOMZBBRYSA-N 318.396 2.619 0 50 DFAA COc1nc(C)cc(C)c1-c1noc(-c2ccc(O)cc2O)n1 170606791 RKEHABLNMQOSFX-UHFFFAOYSA-N 313.313 2.835 0 50 DFAA COc1ccc(CN2CCC[C@H](n3ccnn3)CC2)cc1F 639816836 SWQIAIRQNMAKLD-AWEZNQCLSA-N 304.369 2.653 0 50 DFAA Cn1c(C(F)F)nc2cc(C(=O)N3CC(F)(F)C3)ccc21 684979523 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COc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 13689817 AGNIUXONRFJYLG-UHFFFAOYSA-N 315.354 2.737 0 50 DFAA COc1cc(OC)c(C(=O)Nc2ccc(C)cn2)cc1OC 16605765 JQIDVUQJPLOBBB-UHFFFAOYSA-N 302.330 2.668 0 50 DFAA CN(C(=O)c1ccccc1Br)[C@H]1CCCC[C@H]1O 16625173 SWJKGITVNAVWEY-QWHCGFSZSA-N 312.207 2.825 0 50 DFAA Fc1cccc(NC(=S)N2CCN(c3ccccn3)CC2)c1 18251240 DBLBNXRGLQJJDG-UHFFFAOYSA-N 316.405 2.740 0 50 DFAA Cc1ccc(CN2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)c2cccnc12 1857735780 SYLWCXODNOVSBL-JRBPQWBISA-N 324.424 2.515 0 50 DFAA CC(C)(c1ccccc1)C1(NC(=O)C[C@@H]2COC(=O)C2)CC1 408520523 JXYIGQOJOFVMAM-ZDUSSCGKSA-N 301.386 2.566 0 50 DFAA CCCc1ccc(CN2CCN3[C@@H](CCC)COC[C@H]3C2)o1 1875244933 BCVJVDNMXPQCTE-JKSUJKDBSA-N 306.450 2.917 0 50 DFAA Cc1ncc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c(C)n1 624240205 BQHRIIDNUJKQRQ-HYSWKAIVSA-N 315.421 2.635 0 50 DFAA Cc1cc(N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n2nc(C(F)(F)F)nc2n1 252504983 HEDGOGGRUSNJGC-QFOLPQNPSA-N 323.322 2.686 0 50 DFAA Cc1ccc(-c2nc3sc(=Cc4ccc(C)o4)c(=O)n3n2)cc1 254617463 SUFIKUPRTQMWKB-UHFFFAOYSA-N 323.377 2.576 0 50 DFAA Cc1ccccc1C(C)(C)C(=O)N[C@H]1CCC(=O)NC12CCC2 374638477 FMMDFXKGTVRYAT-HNNXBMFYSA-N 314.429 2.590 0 50 DFAA C[C@H](C(=O)N1CCC[C@H]1CC(=O)O)c1ccc(Cl)s1 262907203 JFSZVNFZDIZTEO-IUCAKERBSA-N 301.795 2.971 0 50 DFAA CC[C@H](C(=O)O)N1CCCN(Cc2ccc(Cl)cc2)CC1 263111174 LCPRNUNDBWXSEY-OAHLLOKOSA-N 310.825 2.711 0 50 DFAA CO[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)O)c1ccccc1 263358485 SPVWWPFXBSTMCS-GOEBONIOSA-N 305.374 2.620 0 50 DFAA O=C(O)[C@H](Cc1ccccc1)Nc1nc(C(F)(F)F)ns1 263469972 DJMRDSXXCBPUMO-QMMMGPOBSA-N 317.292 2.665 0 50 DFAA Cc1cc(O)nc(C(C)(C)NC(=O)c2cc3c(C)cccn3c2)n1 823776230 GMMXBZSIXJCDQE-UHFFFAOYSA-N 324.384 2.717 0 50 DFAA C[C@@H]1Cc2cc(C(=O)NCc3nccn3C(F)F)ccc2O1 824300008 TUBMDYUXZPRAQB-SECBINFHSA-N 307.300 2.532 0 50 DFAA Cc1nc2ccccn2c1CNC(=O)Nc1ccc([C@H](C)N)cc1 2325856857 FZDMEBADPOCICN-LBPRGKRZSA-N 323.400 2.984 0 50 DFAA COc1c(F)cc(I)c(OC)c1F 40571649 QIIGKOYUNPWGJD-UHFFFAOYSA-N 300.042 2.587 0 50 DFAA CCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1Cl 613772 MJOUDEUGLWNRIG-UHFFFAOYSA-N 310.781 2.612 0 50 DFAA Cc1cc(C(=O)N2CCC[C@@]23CCCNC3=O)ccc1Cl 2356148927 AHHIIXPRKVMMFL-MRXNPFEDSA-N 306.793 2.533 0 50 DFAA COc1cc(-c2cc(C)c(C(=O)O)c(C)n2)ccc1C(=O)O 2356150373 YVKNIBNAXRMSQP-UHFFFAOYSA-N 301.298 2.770 0 50 DFAA C[C@H]1C[C@@H](C)CN(C[C@H](O)Cn2cc(C=O)c3ccccc32)C1 4820822 BQTCNQYCRFWEKT-UXLLHSPISA-N 314.429 2.793 0 50 DFAA c1coc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1 8617176 IBCQNRZHNRNQGN-UHFFFAOYSA-N 322.353 2.844 0 50 DFAA O=C(Cc1cn2ccsc2n1)N1CCC[C@@H]1c1ccccn1 55514898 QYWXBDBOIPQIRF-CQSZACIVSA-N 312.398 2.697 0 50 DFAA COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)cc3C)nc2c1 22056179 ZMXZYNHJPJEPAE-JOCHJYFZSA-N 315.398 2.891 0 50 DFAA in-vitro C[C@H](c1ccccc1-n1cccn1)N1Cc2ncccc2C1=O 65454310 AHYXRKVWNTYZEB-CYBMUJFWSA-N 304.353 2.984 0 50 DFAA Cn1nc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2c1=O 170625683 BTGWGLZJEUYUSK-UHFFFAOYSA-N 318.336 2.667 0 50 DFAA CN(Cc1ccc(S(C)(=O)=O)cc1)C1Cc2ccccc2C1 65398270 REJRGZKDHALNGP-UHFFFAOYSA-N 315.438 2.689 0 50 DFAA COc1ccc(-c2cnnc(NCC3CCOCC3)n2)cc1F 12575141 XSAFBBFFIFJHNX-UHFFFAOYSA-N 318.352 2.525 0 50 DFAA CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ccon1 67948129 XSJXLOKTGDHJQD-UHFFFAOYSA-N 322.368 2.636 0 50 DFAA CO[C@H]1CCCCC[C@@H]1NC(=O)N[C@H]1CCCCC[C@H]1OC 252515575 LROUKZASBSIMHF-YHUYYLMFSA-N 312.454 2.981 0 50 DFAA CCO[C@@H]1C[C@H](NCc2nnc(C3CCC3)n2C)C12CCCC2 333632388 ALVWVEHKGKXUJM-LSDHHAIUSA-N 318.465 2.910 0 50 DFAA CC(C)C[C@H]1CN(C(=O)Cc2ccccc2O)CC[C@@]1(C)O 67856032 NOPZLLJWIOYEEK-MAUKXSAKSA-N 305.418 2.580 0 50 DFAA CCc1cc(CCCSc2nnnn2-c2ccccc2)on1 253426511 VWGLKVYWTZXTJE-UHFFFAOYSA-N 315.402 2.938 0 50 DFAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)C(=O)NC(C)C)C1 71524671 IODVJHJKQBSDBQ-INIZCTEOSA-N 316.445 2.691 0 50 DFAA Cc1ccsc1[C@H](Cn1ccnc1-c1nccn1C)N(C)C 77428952 MPEKDVJLWYZGFF-ZDUSSCGKSA-N 315.446 2.956 0 50 DFAA CN(C)[C@@H]1CCCN(Cc2ccc(CCC(C)(C)O)cc2)C1 72453957 ZLWQYVZQOTXHLU-GOSISDBHSA-N 304.478 2.916 0 50 DFAA 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FCAKJGQVXAOZBD-XHSDSOJGSA-N 323.820 2.650 0 50 DFAA Cc1ccc([C@@H]2CCCN2S(=O)(=O)C[C@H]2CCCCO2)o1 240412739 FNXLLSLBJCMINK-KGLIPLIRSA-N 313.419 2.624 0 50 DFAA CCOc1ccc(CN(C)Cc2csc(C)n2)cc1CO 215699883 VSVFPBDMENRDDH-UHFFFAOYSA-N 306.431 2.975 0 50 DFAA COC(=O)[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 241644286 PPRTXYMSLZEEGZ-ZIAGYGMSSA-N 321.417 2.906 0 50 DFAA CCc1cc(N(C)Cc2cnc3ccccc3n2)n2nccc2n1 72431346 JHSPDRYBGYXVBL-UHFFFAOYSA-N 318.384 2.871 0 50 DFAA OCc1cc2n(n1)CCCN(Cc1c(F)cccc1Cl)C2 221194171 LWCWGFZURVHIGY-UHFFFAOYSA-N 309.772 2.574 0 50 DFAA Cc1nc(NCc2ccc(F)c(F)c2)cc([C@@H]2CCOC2)n1 426633833 HFEDMERAENMQDD-GFCCVEGCSA-N 305.328 3.179 0 50 DFAA Cc1cc(C)nc(S[C@@H](C)c2nc(-c3cccnn3)no2)n1 92002428 IIFPWWGQKWYTFT-JTQLQIEISA-N 314.374 2.787 0 50 DFAA Cn1cc(CC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)cn1 181260168 HXNASHGWBCXQQH-UHFFFAOYSA-N 311.429 2.845 0 50 DFAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CCCN(C)CC3)c2c1 91518832 PVANBUFHGXZASD-UHFFFAOYSA-N 313.445 2.800 0 50 DFAA 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RJMOQBWFDDYOGK-UHFFFAOYSA-N 310.309 2.551 0 50 DFAA Cc1ccccc1[C@H]1CCCN(Cc2cnc(C(=O)O)cn2)C1 1772700282 AZIBDNWBKRCMQO-AWEZNQCLSA-N 311.385 2.863 0 50 DFAA O=C1C[C@H](NC2Cc3ccccc3C2)CN1Cc1cccc(F)c1 12458039 DOOZGMSVIGFOIH-IBGZPJMESA-N 324.399 2.684 0 50 DFAA COc1ccc(OCc2cc(C(=O)NC(C)C)n[nH]2)c(Cl)c1 15074828 UOHABZHVURMXCM-UHFFFAOYSA-N 323.780 2.789 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 18241094 HATHUEWNBMABDW-GLQYFDAESA-N 315.369 2.789 0 50 DFAA O=C(NCCCN1CCOCC1)c1ccc(-c2ccccc2)cc1 19720855 RMVNWIIINUJLMQ-UHFFFAOYSA-N 324.424 2.806 0 50 DFAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C[C@@]3(C)CC2=O)c(C)c1 169690401 XEHASGGCKVTPLQ-SAKMYQHLSA-N 311.381 2.798 0 50 DFAA Cc1ccc(CN(C)C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)o1 1857532762 RDGOKROMHIORRT-MNOVXSKESA-N 303.362 2.606 0 50 DFAA CCCc1nnc(NC(=O)c2cn3cc(Cl)ccc3n2)o1 1875251501 PPBXNIAWYUDZOB-UHFFFAOYSA-N 305.725 2.576 0 50 DFAA CN(Cc1ccccn1)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 408518300 ZJQVGQYIYQHVAL-QGZVFWFLSA-N 309.413 2.562 0 50 DFAA CC[C@]1(C)COCCN1C(=O)c1ccc(-c2cnco2)cc1 356715370 AGFBWUSDNWIEAD-QGZVFWFLSA-N 300.358 2.983 0 50 DFAA Cc1ccc(CC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cn1 230114626 KOAKWZNUOKYWRB-BEFAXECRSA-N 323.440 2.569 0 50 DFAA CO[C@@]1(C)C[C@H](NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)C1(C)C 241693969 QJGYFKQKVRISGD-WPAKPSRZSA-N 323.481 2.505 0 50 DFAA C[C@]1(Br)C[C@@H]1C(=O)NCCc1noc2ccccc12 862155830 XOWVEMYNDQFRGG-YGRLFVJLSA-N 323.190 2.660 0 50 DFAA Cc1ncsc1CN[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 888099233 XKWDKDVYCIVWRA-FRRDWIJNSA-N 323.462 2.797 0 50 DFAA CC1(C)CC(N2CN(C3CCCCC3)CC2=O)CC(C)(C)N1 141619 STKNVTPWQBBKIJ-UHFFFAOYSA-N 307.482 2.730 0 50 DFAA O=C(NO[C@H]1CCOC1)N1CCC[C@H]1c1cc(F)ccc1F 2325776066 FGQZGIGQWOBMGQ-FZMZJTMJSA-N 312.316 2.532 0 50 DFAA CC1(C)[C@@H](C(=O)O)CCN1C(=O)c1cccn1C1CCCC1 2325778119 AMINZMJYSJJGQE-CYBMUJFWSA-N 304.390 2.929 0 50 DFAA Cn1nc([C@@H]2CCCN2)cc1C(=O)NCc1cc2ccccc2o1 2325799251 AGYPOFOLFPWFMO-AWEZNQCLSA-N 324.384 2.521 0 50 DFAA Cn1c(=NCc2cnc(C(C)(C)C)[nH]2)[nH]c2cc(F)ccc21 2325809183 MLMMZIAQWAEUPF-UHFFFAOYSA-N 301.369 2.767 0 50 DFAA FC(F)(F)c1cccc(-n2nnnc2Cc2cccnc2)c1 2325822106 DFMWIYMEPZUARZ-UHFFFAOYSA-N 305.263 2.667 0 50 DFAA O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(F)cc1 82151 PCPGFUCJDSXMAF-UHFFFAOYSA-N 300.337 2.858 0 50 DFAA COCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 199445 GSHUUWHTRPCZPF-UHFFFAOYSA-N 313.766 2.599 0 50 DFAA CC(=O)Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 342298 CHDQBSJNFCRTFK-UHFFFAOYSA-N 315.281 2.834 0 50 DFAA biogenic Cc1ccc(C)c(NC(=O)Cn2nnc(-c3cccs3)n2)c1 418245 TTZZDQIMTXHYEI-UHFFFAOYSA-N 313.386 2.657 0 50 DFAA Cc1ccc(O)c(NC(=S)NC(=O)COc2ccccc2)c1 456722 LYTUSUQLOMBHOZ-UHFFFAOYSA-N 316.382 2.593 0 50 DFAA O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1 613840 KBKAAXBPTLCJPV-UHFFFAOYSA-N 305.293 2.533 0 50 DFAA COC(=O)COc1ccc2oc(-c3ccco3)cc(=O)c2c1 1978196 BDNLEPPSNYUQCK-UHFFFAOYSA-N 300.266 2.605 0 50 DFAA CN(C)c1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 2967171 MDFNUFSYJXCLQF-UHFFFAOYSA-N 315.417 2.698 0 50 DFAA Cn1c(N)c(C(=O)NC2CCCCC2)c2nc3ccccc3nc21 4839916 RJNFUHKYCLAQKO-UHFFFAOYSA-N 323.400 2.766 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1 248136081 OQVRQYHTTBJITJ-QZTJIDSGSA-N 324.428 2.571 0 50 DFAA CCOc1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1 20399020 LTRZVZQEZDCYDV-CYBMUJFWSA-N 312.369 2.842 0 50 DFAA CC[C@]1(C)CN(Cc2nnc(-c3ccccc3OC)o2)CCO1 135625013 ONTKFMJSDAEQDI-QGZVFWFLSA-N 317.389 2.746 0 50 DFAA C[C@@H](c1ccccc1-n1cccn1)N1Cc2ncccc2C1=O 65454308 AHYXRKVWNTYZEB-ZDUSSCGKSA-N 304.353 2.984 0 50 DFAA C[C@H](CCNC(=O)N(C)C[C@@H]1CCC[C@H]1O)c1ccccc1 252477353 MNTFOJZKOCVAAA-HYVNUMGLSA-N 304.434 2.983 0 50 DFAA COCc1nc(CN2[C@H](C(=O)OC)C[C@H]3CCCC[C@H]32)cs1 252514786 DVQAGTAMUNRZLR-BNOWGMLFSA-N 324.446 2.596 0 50 DFAA C[C@@H]1COCCN1C(=O)c1ncoc1-c1ccccc1Cl 331827536 AYLWZFDMYGTVSN-SNVBAGLBSA-N 306.749 2.856 0 50 DFAA Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)n1 257365713 HWPYBEKGYJNXAD-FGTMMUONSA-N 324.428 2.862 0 50 DFAA CCN(C(C)=O)c1nc(CN2CCO[C@H]3CCCC[C@H]32)cs1 230198331 HUHKLLWERFYBFH-CABCVRRESA-N 323.462 2.659 0 50 DFAA CC(C)c1nnc(C(=O)Nc2cccc(C[S@@](C)=O)c2)s1 253404963 WOIMTWPAWHXKEP-OAQYLSRUSA-N 323.443 2.792 0 50 DFAA CN(C)c1ccc(NC(=O)c2nn(C)cc2Br)cc1 373784 MVJXXARZYVJXBG-UHFFFAOYSA-N 323.194 2.501 0 50 DFAA CN(C)CC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 363464287 BFUGSPKCXPTIEJ-CYBMUJFWSA-N 300.324 2.931 0 50 DFAA O=c1[nH]nc([C@H]2CCCN(C3CCCC3)C2)n1-c1ccccc1 71764923 NPFVWAPKXYCFHH-AWEZNQCLSA-N 312.417 2.683 0 50 DFAA CO[C@H]1CCN(C(=O)NCc2ccc3c(c2)COC3)CC1(C)C 333233182 ORJLIGAXKFCUOI-INIZCTEOSA-N 318.417 2.673 0 50 DFAA Cc1cccc(CN(C[C@@]2(O)CCNC2)C2CCCCC2)c1 72408600 XWCYVEWBDPRFTL-LJQANCHMSA-N 302.462 2.854 0 50 DFAA CC(C)n1cc(CN(Cc2cocn2)Cc2cocn2)cn1 216048777 LEKNDJWWJSHGMM-UHFFFAOYSA-N 301.350 2.642 0 50 DFAA CSc1ccc(CN(Cc2c[nH]nc2C(=O)O)C2CC2)cc1 219706032 LDQGQZCZIFDLGY-UHFFFAOYSA-N 317.414 2.994 0 50 DFAA Cn1cc(-c2cc(CN3CC[C@H](O)c4ccccc4C3)on2)cn1 375107985 LCYBHBXUHSPRIO-SFHVURJKSA-N 324.384 2.514 0 50 DFAA Cc1cccc(OCCC(=O)N2CCC[C@H](CCC(=O)O)C2)c1 237700053 IEVLTEISUBMRMR-OAHLLOKOSA-N 319.401 2.867 0 50 DFAA CN1C[C@@H](CNC(=O)c2cc[nH]c2C2CC2)Cc2ccccc21 376050699 OXTMGWRTLGDJBB-CYBMUJFWSA-N 309.413 2.931 0 50 DFAA NC(=O)c1ccccc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 174627659 RCZZLIDCMYZROG-BEFAXECRSA-N 306.365 2.628 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1 238080101 GOBKQSCJUSTLNE-LBPRGKRZSA-N 320.732 2.684 0 50 DFAA O=C(NCCc1ccccc1)c1cn2c3c(cccc3c1=O)CC2 33088724 QQPMAISRWVVJON-UHFFFAOYSA-N 318.376 2.530 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1NC1CC(c2ccccn2)C1 377688405 ASKAWUZYPIWWTG-LCSXWQTCSA-N 312.417 2.664 0 50 DFAA COCC1(CNC(=O)[C@@H](c2ccccc2C)N(C)C)CCCC1 219807676 IVJUXDVTKSHSHS-QGZVFWFLSA-N 318.461 2.921 0 50 DFAA C[C@H](C(=O)NCC(F)(F)F)N1CC[C@@H](Cc2ccccc2)C1 246684594 KACFGRDACMIPRI-OCCSQVGLSA-N 314.351 2.618 0 50 DFAA C[C@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccncc1 71738527 AVBNPSHRTJFBAX-GFCCVEGCSA-N 318.340 2.999 0 50 DFAA CCN(C[C@@H]1CCCO1)C(=O)NC1CCN(C2CCCC2)CC1 176025267 QVLVYVOEZWCFKU-KRWDZBQOSA-N 323.481 2.604 0 50 DFAA COCC[C@@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 222751968 SHYZLJMNSNLSEP-INIZCTEOSA-N 304.434 2.570 0 50 DFAA O=S(=O)(c1ccc(Br)cc1)N1[C@H]2CC=CC[C@H]21 43761624 OZBDIVWPIAEJRX-ONXXMXGDSA-N 314.204 2.541 0 50 DFAA Cc1c(C(=O)N[C@H]2COC(C)(C)C2)cnn1Cc1ccccc1 617057783 MVXUENYETLFALX-OAHLLOKOSA-N 313.401 2.537 0 50 DFAA C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(-n2ccnn2)cc1 179220739 YWOZINICJSCZDD-NSHDSACASA-N 323.356 2.624 0 50 DFAA CC[C@@H](NC(=O)CCn1c(C)cccc1=O)c1ncccc1C 426546286 WZHGDDGWITVBQI-OAHLLOKOSA-N 313.401 2.518 0 50 DFAA C[C@H]1CN(c2ccnc3ccc(Cl)cc23)C[C@@H](C)S1(=O)=O 290800180 OYNBVKFULZDMBY-PHIMTYICSA-N 324.833 2.900 0 50 DFAA COc1cc2c(cc1-c1nc3c(cnn3C(C)C)[nH]1)OCO2 48194380 MUDLENXUTZIUQN-UHFFFAOYSA-N 300.318 2.745 0 50 DFAA COc1cc(NCn2nnc3ccccc32)cc(OC)c1OC 22017185 DRIZPURLNZMMSN-UHFFFAOYSA-N 314.345 2.527 0 50 DFAA biogenic Cc1nn(C(C)(C)C)c(=O)n1CCOc1ccc(Cl)cc1 180400268 VLUWMRZVBSNKQT-UHFFFAOYSA-N 309.797 2.841 0 50 DFAA Cc1cc2nc(CCc3nc([C@H]4CCOC4)no3)[nH]c2cc1C 96133247 JFHBBUXSMQKDBS-LBPRGKRZSA-N 312.373 2.852 0 50 DFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)c1nnc(C2CCC2)o1 95358485 AMKSMWGWWUEDQN-LBPRGKRZSA-N 318.421 2.564 0 50 DFAA Cc1ncccc1C(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244811443 SCSLITHABPZERY-BQFCYCMXSA-N 310.397 2.502 0 50 DFAA NC[C@@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 299739553 PZKQUZVQLODZLF-AWEZNQCLSA-N 302.418 2.819 0 50 DFAA CC[C@@H](NC(=O)N(C)CCc1scnc1C)c1ccnn1C 534651772 PRUKVPQXROMNCU-GFCCVEGCSA-N 321.450 2.520 0 50 DFAA COC[C@@H]1CCCN1C(=O)NCCSCc1ccccc1 534675409 OHQJHAVRQQICRH-HNNXBMFYSA-N 308.447 2.740 0 50 DFAA O=C(Nc1ccnc(O)c1)c1cnc(Nc2ccccc2)nc1 1940198384 LULQSIBLRZRKJA-UHFFFAOYSA-N 307.313 2.573 0 50 DFAA O=C(Cc1cncnc1O)N[C@@H]1CCCC[C@H]1c1ccccc1 299783722 WWWBDTSUGYHDHD-JKSUJKDBSA-N 311.385 2.567 0 50 DFAA COc1cc(NC(=O)c2cc[nH]c(=N)c2)ccc1OC(C)C 1875293559 VEELCLNWOGODHZ-UHFFFAOYSA-N 301.346 2.542 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C3CCC3)C3CCC3)n[nH]c21 1875395090 KTWBNPXXCNEDRM-MNOVXSKESA-N 303.406 2.979 0 50 DFAA COc1nccc(C(=O)N2C[C@@H](c3ccccc3)CC2(C)C)n1 885228891 BOMYXJNOZOLCMH-AWEZNQCLSA-N 311.385 2.894 0 50 DFAA C=CC(=O)Nc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 864917404 IRSAMZMANPBBKZ-HZPDHXFCSA-N 314.385 2.595 0 50 DFAA CC(=O)c1ccc2c(c1)CN(CC(=O)N(C)C1CCCCC1)C2 411927722 SUEBCKZEVMWZRI-UHFFFAOYSA-N 314.429 2.996 0 50 DFAA Cn1nc(CCNc2cc(N3CCCC3)ncn2)c2ccccc21 225487059 XDPVIFRJZHWUEM-UHFFFAOYSA-N 322.416 2.618 0 50 DFAA C[Si](C)(C)CCCNS(=O)(=O)Cc1ccc(Cl)nc1 225548842 NDRHQWSOLFFHKV-UHFFFAOYSA-N 320.918 2.883 0 50 DFAA CSCc1cccc(CNC(=O)NC2CCC(O)CC2)c1 187808755 ZTMAVMIIGDMXBP-UHFFFAOYSA-N 308.447 2.652 0 50 DFAA CN(CC1(CO)CC1)C(=O)c1csc(-c2ccccc2F)n1 189137259 MLFWGUXJDAFCBH-UHFFFAOYSA-N 320.389 2.794 0 50 DFAA C[C@H](c1nnnn1C1CCCCC1)N1CC[C@H]2OCCC[C@@H]2C1 189577523 VOZYKYXHUMWFQR-IIAWOOMASA-N 319.453 2.740 0 50 DFAA O=C(c1cccn1Cc1cccs1)N1CCN2CCC[C@H]2C1 195336613 NVEGHARNQORBKH-AWEZNQCLSA-N 315.442 2.518 0 50 DFAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)c1cc(C2CC2)no1 653328892 ONJIEOXTJAILCO-TZMCWYRMSA-N 312.325 2.595 0 50 DFAA CCN(CCc1nc2ccccc2[nH]1)c1ncnc2[nH]ccc12 1529103453 BTIUTSZKQNIANX-UHFFFAOYSA-N 306.373 2.903 0 50 DFAA Cc1cccc(CCNc2cc(C(=O)N3CCCC3)ccn2)n1 1529158572 GPMUGQOOJGGIBB-UHFFFAOYSA-N 310.401 2.676 0 50 DFAA O=C(C1CCCC1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529173850 QMYBIWAFIWQCKA-VQIMIIECSA-N 324.424 2.787 0 50 DFAA C[C@H](c1ccccc1)n1nccc1NC(=O)CC1CCNCC1 1529174455 UJJIWCXPQXDKCG-CQSZACIVSA-N 312.417 2.821 0 50 DFAA Cc1cnsc1NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 1875307919 WJQXUOUYELFASR-SSDOTTSWSA-N 304.297 2.867 0 50 DFAA O=C1C[C@H]2NCC[C@H]2N1CCCSc1ccc(Cl)cc1 1800409568 IQRZTUYHYNRYPU-ZIAGYGMSSA-N 310.850 2.785 0 50 DFAA CCC(=O)c1ccc(OC[C@H](O)CN2CCCCCC2)cc1 5050082 NVFJNZDBZGDGIH-MRXNPFEDSA-N 305.418 2.895 0 50 DFAA CCOc1cc(Cl)c(S(=O)(=O)n2cccn2)cc1Cl 11614095 BVNFZLXKDSACRZ-UHFFFAOYSA-N 321.185 2.826 0 50 DFAA CC(C)(C)CN1CCC[C@](O)(CNC2CCCCCC2)C1=O 11662259 YFVDVZUJCQVZRQ-SFHVURJKSA-N 310.482 2.698 0 50 DFAA Cn1cc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cn1 12592642 QRFWNADJHSUEBH-CQSZACIVSA-N 306.360 2.775 0 50 DFAA CC[C@H](Oc1ccc(F)cc1)C(=O)NC1CCN(CC)CC1 16580098 DAPDJNSIVZWNAS-INIZCTEOSA-N 308.397 2.584 0 50 DFAA COC(=O)c1cc(Br)c(O)c(Br)c1 135680 NVGJGYZKXBLIKY-UHFFFAOYSA-N 309.941 2.704 0 50 DFAA biogenic,in-vitro N[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)C1 237923276 CXQQNIYEHQICBU-GFCCVEGCSA-N 308.809 2.835 0 50 DFAA COc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 5998555 OEZZJTAJYYSQKM-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA biogenic,in-vitro COc1ccc(F)c(CNc2ccc3c(c2)C(=O)NCC3)c1 645166998 WVUQIMAXOYCEFI-UHFFFAOYSA-N 300.333 2.732 0 50 DFAA COc1ccc(CN2CCC[C@H]2c2cnn(C)c2)c(OC)c1 131804404 VCLAMTBRZXARKX-INIZCTEOSA-N 301.390 2.774 0 50 DFAA Cc1cc(F)ccc1CN[C@@]1(CO)CCOc2ccccc21 366920749 CRHGEJQWQKTRFH-GOSISDBHSA-N 301.361 2.894 0 50 DFAA CC(C)(C)c1nsc(N2CCN(c3cccc(O)c3)CC2)n1 157830578 YPHRFPSESSUORT-UHFFFAOYSA-N 318.446 2.868 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@](F)(c2ccccc2)C1 374948062 BXMFMHTXDYMPKD-QGZVFWFLSA-N 301.365 2.666 0 50 DFAA O=C(Nc1cnn(-c2ccccc2Cl)c1)C1CCOCC1 377576895 ZWFLYHIFIHEZBG-UHFFFAOYSA-N 305.765 2.891 0 50 DFAA CC(C)NC(=O)c1cc(Br)cnc1Br 929092151 RFEJHUCUNVGKBS-UHFFFAOYSA-N 322.000 2.745 0 50 DFAA CO[C@H](CNC(=O)c1cc(C)c(Br)o1)C(C)C 933909892 XCHHVUSDFHENBS-SNVBAGLBSA-N 304.184 2.751 0 50 DFAA CN(Cc1ccc2nsnc2c1)C1CSCCSC1 952862295 OIGVCRFWXBGTSG-UHFFFAOYSA-N 311.501 2.972 0 50 DFAA CCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(C(F)(F)F)C1 64362 TYSXYCSPXLCFLX-CYBMUJFWSA-N 300.280 2.858 0 50 DFAA C[C@@H](CC(=O)N1CC[C@@H](CC(=O)O)C1)c1c[nH]c2ccccc12 2325769504 KWEHALJEKFJDAW-STQMWFEESA-N 314.385 2.985 0 50 DFAA COc1ccc(OC)c(NC(=O)CCN2CCCCCC2)c1 256580 RJPIMXOJHIQLDO-UHFFFAOYSA-N 306.406 2.908 0 50 DFAA COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 2906484 UJRSLRONEMCIRF-AWEZNQCLSA-N 324.380 2.995 0 50 DFAA CC(=O)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 3887458 UHMDAZSIAZJSOM-MRXNPFEDSA-N 323.352 2.651 0 50 DFAA CC(C)C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)O 4668750 CIPVQEIYIMCCMM-LLVKDONJSA-N 314.179 2.678 0 50 DFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 55051863 RQOHHXHILZMNLH-GOEBONIOSA-N 322.474 2.669 0 50 DFAA O=C(Nc1ccccn1)C1CCN(C(=O)c2ccccc2)CC1 9266168 BEACMSJJFGQXON-UHFFFAOYSA-N 309.369 2.573 0 50 DFAA Cc1ccc(NC(C)(C)C(=O)N2CCC[C@@]3(CCNC3)C2)cc1 67690341 QUIHLAYGOGBOHK-IBGZPJMESA-N 315.461 2.788 0 50 DFAA O=C(COC[C@@H]1CCCO1)NCC1(c2ccccc2)CCCC1 69255340 UWPWKFJAZCDDSP-KRWDZBQOSA-N 317.429 2.810 0 50 DFAA c1cc(CN2CCC[C@]3(CCNC3)C2)cc(Cn2cccn2)c1 67713710 HCJCGBONZITFLG-LJQANCHMSA-N 310.445 2.507 0 50 DFAA CCCN(CC(=O)N1CCCCC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252680227 XSAMKPNZIZKBET-OIISXLGYSA-N 308.466 2.524 0 50 DFAA Cc1cc(F)ccc1CCNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 121268207 KKDLMEZCZYVIMY-KGLIPLIRSA-N 307.365 2.684 0 50 DFAA Cc1cc(NC[C@@H](O)c2ccccc2Cl)nc(N(C)C)n1 65398472 NCUKNHRTWTWEND-CYBMUJFWSA-N 306.797 2.650 0 50 DFAA O=C(O)CCC1CCN(C(=O)c2ccnc3ccccc23)CC1 322672676 DZBHXVWBAWYACM-UHFFFAOYSA-N 312.369 2.952 0 50 DFAA O=C(c1cccc(-n2ccnn2)c1)N(CC(F)(F)F)C1CCC1 122139614 VHXYMYSLVCKPGF-UHFFFAOYSA-N 324.306 2.824 0 50 DFAA O=C(Cc1csc(-n2cccc2)n1)NCCc1ccccc1 30819414 QLLHXOIQLKHIFH-UHFFFAOYSA-N 311.410 2.835 0 50 DFAA CNc1nc(-c2ccc(OC)c(OC)c2OC)nc2c1CCC2 65366083 JUPFDJVKNUBCHW-UHFFFAOYSA-N 315.373 2.700 0 50 DFAA CC(C)c1nnc2n1CCN(CCCO[C@H]1CCCCO1)[C@@H]2C 253392872 YZCBMGBXIVBJKS-CABCVRRESA-N 322.453 2.711 0 50 DFAA C=CC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 328597939 JNHNUEYSMCFRPB-LBPRGKRZSA-N 301.321 2.768 0 50 DFAA Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCCC3)o2)cc1 32593552 ASZUGYULLGUGDD-UHFFFAOYSA-N 319.382 2.657 0 50 DFAA Cc1c(CNC(=O)NCc2cccc(C(C)C)c2)cnn1C 357211556 VZXFJDVXKJLREN-UHFFFAOYSA-N 300.406 2.851 0 50 DFAA CCOC(=O)c1cnn(-c2cccc(Br)n2)c1C 75896428 CTNMIFRSQHYFQQ-UHFFFAOYSA-N 310.151 2.515 0 50 DFAA NC(=O)c1ccccc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 174627686 RCZZLIDCMYZROG-KXBFYZLASA-N 306.365 2.628 0 50 DFAA C[C@@H](Cn1cncn1)n1cnc2cc(C(C)(C)C)sc2c1=O 32503374 TUAYUYFGYHLSNV-JTQLQIEISA-N 317.418 2.608 0 50 DFAA COc1cccc(CN2CC[C@H](CNc3cccc(C)n3)C2)n1 237360475 UKDNAAKMRGBCDH-OAHLLOKOSA-N 312.417 2.728 0 50 DFAA CCCc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1 246829717 USUXGMCREAYTHG-FZMZJTMJSA-N 323.343 2.608 0 50 DFAA FC(F)(F)[C@@H]1CN(C2CCN(c3ccccc3)CC2)CCO1 71753833 CFSUBOSAZMLVEM-HNNXBMFYSA-N 314.351 2.919 0 50 DFAA CO[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 378625010 OMPGOXRYOMAMOF-NSHDSACASA-N 302.296 2.742 0 50 DFAA CC(C)NC(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1 72135174 ICRDUUKOYURGJQ-LBPRGKRZSA-N 318.446 2.973 0 50 DFAA Cc1cncc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 176727162 FFPHHKLAFGKYEX-SJLPKXTDSA-N 323.396 2.938 0 50 DFAA CCCCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 426634104 WTZYXSZQNNKOKQ-OAHLLOKOSA-N 321.396 2.589 0 50 DFAA O=C(CCC(F)(F)F)N1CCC[C@@H](OCc2cccnc2)C1 82096698 CICMIPATSCHZKN-CYBMUJFWSA-N 316.323 2.932 0 50 DFAA O=C(Nc1ccccc1OC(F)(F)F)N1CCCC[C@@H]1CO 89855943 KUEYUVPRDDADPG-SNVBAGLBSA-N 318.295 2.964 0 50 DFAA Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@H]2CCNC2)cc1 179076518 GCFKNSDBXCRHMF-INIZCTEOSA-N 322.408 2.660 0 50 DFAA Cc1ccc(-c2cnc3nc(C)cnc3n2)c(-n2cccn2)c1 426622888 FCEXNYIJKQVRLN-UHFFFAOYSA-N 302.341 2.889 0 50 DFAA c1ccc(-c2ncc3c(n2)CCC[C@H]3NC2CCNCC2)cc1 91664991 VKWJVBIJSHEJLS-QGZVFWFLSA-N 308.429 2.863 0 50 DFAA Cc1nc(C2CC2)ncc1C(=O)NC[C@@H]1COc2ccccc2C1 91770779 AAYQMEPQNVUVAK-CYBMUJFWSA-N 323.396 2.644 0 50 DFAA Cc1noc([C@H]2CCCCN2C(=O)CCCN2CCCCC2)n1 95385954 IULGFHPNGBSUNF-OAHLLOKOSA-N 320.437 2.698 0 50 DFAA COc1c(Cl)cc(Cl)cc1CN1CCO[C@@H](CCN)C1 97776055 GJEQSWOEOIVKDQ-LBPRGKRZSA-N 319.232 2.552 0 50 DFAA Cc1cccc(C)c1NCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239377498 OAPZOXGLZGZDEE-NQLMQOPMSA-N 322.408 2.726 0 50 DFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N(C)CCn1cccn1 97776210 MAOWZNMBZNHHSX-UHFFFAOYSA-N 324.428 2.991 0 50 DFAA C[C@@H](CCN1CCN(C2CCOCC2)CC1)c1ccccc1 97675244 KVULBBJSQUDWKX-KRWDZBQOSA-N 302.462 2.977 0 50 DFAA CCN(Cc1noc(C2CC2)n1)C(=O)Cn1ccc2ccccc21 244715928 LEVNQTXCGZTWAC-UHFFFAOYSA-N 324.384 2.950 0 50 DFAA Cc1ncsc1C(=O)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244900025 ZUUJYMHUBRZCJR-HZSPNIEDSA-N 302.399 2.694 0 50 DFAA COc1ccc([C@@]2(C(=O)N[C@H]3CC[C@H](O)CC3)CC2(C)C)cc1 248340660 VGNRFIYPVNVVAN-SPYBWZPUSA-N 317.429 2.783 0 50 DFAA Cn1c(C(=O)N(CC(=O)O)C2CC2)ccc1-c1ccc(F)cc1 299745864 SZHFRNADCXEPPP-UHFFFAOYSA-N 316.332 2.520 0 50 DFAA CNC[C@H]1CCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1 299739794 RKVKBYXIDCHTCL-LLVKDONJSA-N 319.792 2.677 0 50 DFAA Cc1ccccc1SCC(=O)NC1(C(N)=O)CCCCCC1 299795530 LLOPFXAVTVTREQ-UHFFFAOYSA-N 320.458 2.782 0 50 DFAA CN(CCCn1cccn1)Cc1cnn(-c2ccccc2F)c1 823716265 CMLANGHSDZHJQI-UHFFFAOYSA-N 313.380 2.730 0 50 DFAA Cc1nonc1CN1CCC[C@H](COc2ccccc2F)C1 670467387 IFIVESXVOOSORD-ZDUSSCGKSA-N 305.353 2.808 0 50 DFAA CC(C)CN1C[C@H](c2nc(-c3c[nH]c4ccccc34)n[nH]2)CC1=O 670468908 LDZQRIKOHDDKSC-GFCCVEGCSA-N 323.400 2.925 0 50 DFAA O=C1N[C@H]2C[C@@]([C@@H]3CCCO3)(Oc3cccc(F)c32)N1C1CC1 1875299085 YHJPOJJVZUJISU-JDFRZJQESA-N 318.348 2.712 0 50 DFAA Cc1c(C(=O)N[C@@H]2CCC23CCCCC3)nn2c1OCCC2 1875265642 QXXJXERLWRBIPP-CYBMUJFWSA-N 303.406 2.817 0 50 DFAA CC(C)(C(=O)O)C1(NC(=O)Cc2c(F)cccc2F)CCC1 1875340795 RRBYGZWYUHFQGG-UHFFFAOYSA-N 311.328 2.657 0 50 DFAA O=C(c1ncn2c1COc1ccccc1-2)N1CCCC2(CC2)C1 1875309498 ZJAQUVFKGDFYFG-UHFFFAOYSA-N 309.369 2.781 0 50 DFAA Brc1cccn2c(I)cnc12 95836474 FPBVVGOLLSNULG-UHFFFAOYSA-N 322.931 2.701 0 50 DFAA in-vitro C[C@H](NC(=O)Cc1ccncc1)[C@@H]1CCN(Cc2ccccc2)C1 272341151 ANGYXTDRDRANHR-QFBILLFUSA-N 323.440 2.651 0 50 DFAA Cc1ccncc1CCCN1CCN(Cc2ccncc2)CC1 225425672 IFAGATHXZDXYSZ-UHFFFAOYSA-N 310.445 2.535 0 50 DFAA CN1CCCC[C@@H]1CCN1CCC(Oc2ncccc2F)CC1 278041340 CLQQYCICTZGXKY-OAHLLOKOSA-N 321.440 2.938 0 50 DFAA CC(=O)NCC1CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 170614596 VHKWMTSHXCYOMH-UHFFFAOYSA-N 312.413 2.634 0 50 DFAA COCCn1c(SCc2cccc(N)n2)nc2ccccc21 170612987 LXFARSIKRPIKMD-UHFFFAOYSA-N 314.414 2.952 0 50 DFAA CO[C@@H](C)CNC(=O)CCc1cc(F)ccc1Br 170603920 VHYLKFVKJHNSKC-VIFPVBQESA-N 318.186 2.672 0 50 DFAA Cc1ccc(SCCNC(=O)NC[C@H]2CC[C@H](O)C2)cc1 189814402 ANSRZIBJLQRQFF-KBPBESRZSA-N 308.447 2.547 0 50 DFAA COc1c(C)ncnc1N[C@H]1CCN(c2ncccc2Cl)C1 656146776 MDDJHWLOTMKMIX-NSHDSACASA-N 319.796 2.533 0 50 DFAA COc1nccnc1NCCN1CC[C@@H](c2ccccc2C)C1 1529158723 JNZZORUDOADRFB-OAHLLOKOSA-N 312.417 2.695 0 50 DFAA COc1nc(N[C@H](C)c2ccc3c(c2)OCCCO3)ncc1F 1772701805 PHPKABZVCWMRNX-SNVBAGLBSA-N 319.336 2.959 0 50 DFAA COc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1O 19359536 QDMDFODXNCYAFD-UHFFFAOYSA-N 312.413 2.719 0 50 DFAA CCCCn1nc(-c2c[nH]nc2C)nc1[C@@H]1C[C@@H]2CC[C@H]1O2 1857722206 FLMFSQDMPVINSW-OUCADQQQSA-N 301.394 2.812 0 50 DFAA COc1ccc(C2(NC(=O)[C@@H]3CCN(C)C3)CCCC2)cc1 602531413 NROIDCJWDRTBTB-CQSZACIVSA-N 302.418 2.532 0 50 DFAA C[C@@H]1CNCCN1C(=O)c1cc(-c2cccc(Cl)c2F)no1 637817661 WOEOVVOMGGVCRC-SECBINFHSA-N 323.755 2.568 0 50 DFAA COc1ccccc1[C@H](C)CC(=O)N1CCCC[C@H]1C(=O)O 136493453 HUIYRKDUCCJADI-OCCSQVGLSA-N 305.374 2.655 0 50 DFAA COC[C@H](C)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCc1ccccc1 252492968 MYMBYBAPBBPPDO-FUJDEKNSSA-N 317.429 2.769 0 50 DFAA Cc1ccc(F)c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)no2)c1 253426485 QVHBDKLCCCLCKH-CYBMUJFWSA-N 318.352 2.560 0 50 DFAA O=C(O)c1cc(Cl)cc(NC(=O)[C@H]2CC23CCOCC3)c1 776640790 GPVWVECVNMGAHK-GFCCVEGCSA-N 309.749 2.793 0 50 DFAA CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)C1 378087008 KZLSONABLXYKNY-RDJZCZTQSA-N 314.429 2.940 0 50 DFAA COc1cc(C(=O)N[C@](C)(CC(=O)O)C(C)C)ccc1Cl 263145151 YQSIUFLNNFJBTP-OAHLLOKOSA-N 313.781 2.968 0 50 DFAA Cc1nc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)ccc1C(=O)O 263309720 GCXAIMNMITXXOK-OAHLLOKOSA-N 324.380 2.718 0 50 DFAA Brc1ccc(COn2nnc3ccccc32)cc1 5050171 HMBVIUXUVMJJBL-UHFFFAOYSA-N 304.147 2.823 0 50 DFAA c1cc2c(cc1Cc1noc(C[C@@H]3CCCNCC3)n1)CCO2 822761147 ZJSJNFNGQMKORB-CYBMUJFWSA-N 313.401 2.528 0 50 DFAA CCO/C=C/[C@](O)(CNCc1cccc(C)c1)C(F)(F)F 928995699 HSCVUTIXZZLHNC-NPQIQWPPSA-N 303.324 2.928 0 50 DFAA CCOCc1nc(C)cc(NCCCN(C)CC(F)(F)F)n1 928996427 RUYRVCVVEXVIIS-UHFFFAOYSA-N 320.359 2.618 0 50 DFAA Cc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc1C 129291 GBKCHUMPQMYDMM-UHFFFAOYSA-N 321.384 2.778 0 50 DFAA Cn1c(Cc2ccccc2)cnc1CN[C@@]12CC[C@@](C)(C1)OC2 2325777473 DOSYVGUGNRDRGN-OALUTQOASA-N 311.429 2.812 0 50 DFAA C[C@H](CCc1n[nH]c2ccccc12)NCc1ccc(C(N)=O)cc1 2325870470 YTMDMGCOFKVYAS-CYBMUJFWSA-N 322.412 2.773 0 50 DFAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1Cl 203911 MUQGXYPVZDQBRQ-NSHDSACASA-N 315.156 2.794 0 50 DFAA COc1cc(NC(=O)c2ccc(OC)c(OC)c2)cc(OC)c1 432872 ZULSMSILMGNCDH-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA Cn1nccc1CN1CCC2(CC1)OCCc1sccc12 2356162668 OKNTUZJEOSHRDQ-UHFFFAOYSA-N 303.431 2.546 0 50 DFAA Cc1cc(C)n([C@H](C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1 4988249 IZLLLSCLHPVXHF-OAHLLOKOSA-N 321.446 2.656 0 50 DFAA Cc1ccc(CNC(=O)c2sc3nc[nH]c(=O)c3c2C)cc1 8600612 HYRNFEGQFZRHDP-UHFFFAOYSA-N 313.382 2.531 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 9042697 SBURQUCTCGKXOT-QMMMGPOBSA-N 324.167 2.859 0 50 DFAA CC(C)(C)c1cn(C2CCN(Cc3nccs3)CC2)nn1 23367684 ZFRUSQMSUUBKJO-UHFFFAOYSA-N 305.451 2.869 0 50 DFAA COc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C)c(OC)c1C 22078320 AXVYFBKTVIYUKR-GOEBONIOSA-N 304.434 2.681 0 50 DFAA CCSc1nc(CC(=O)NCc2cc(CC)no2)cs1 55211926 OFRDUERXBXZNQT-UHFFFAOYSA-N 311.432 2.664 0 50 DFAA COC[C@H]1CCC[C@H]1NCCC(=O)Nc1cc(C)ccc1F 65527983 XDGVIQOEHBNNDO-UKRRQHHQSA-N 308.397 2.867 0 50 DFAA COc1ccc(CN(C)[C@@H](C)C(=O)N(C)C)c2ccccc12 65503930 VHJSTWUEIWMKDC-ZDUSSCGKSA-N 300.402 2.757 0 50 DFAA COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2C)cc1 20276191 GZIHRXRYWROTST-CYBMUJFWSA-N 312.369 2.761 0 50 DFAA COc1ccc(Cl)cc1Cc1noc(CC2(O)CCC2)n1 351065572 QSTGEOZRZSSWJS-UHFFFAOYSA-N 308.765 2.780 0 50 DFAA CSCC[C@@H](CO)Nc1ccc(-c2nc(C3CC3)no2)cn1 20908652 ZABXHVGDVFSOEL-LBPRGKRZSA-N 320.418 2.535 0 50 DFAA OCCN(Cc1ccc2c(c1)OCCO2)Cc1cccs1 65457946 YYGAGZWRHNOXRD-UHFFFAOYSA-N 305.399 2.514 0 50 DFAA CCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2[nH]nc(C)c21 67614154 FLQUOHNKORRROC-GFCCVEGCSA-N 315.373 2.990 0 50 DFAA Cc1cc(N2C(=O)C3(CCOCC3)N=C2O)ccc1OC(C)C 329164059 GOXQCFZBCHNWKF-UHFFFAOYSA-N 318.373 2.592 0 50 DFAA COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)O)o1 237292145 CZFOIRDGZXNCDV-GFCCVEGCSA-N 315.325 2.964 0 50 DFAA COc1ccc([C@@H](CC(=O)O)N2Cc3ccccc3C2=O)cc1 3883259 KSFHVIUSXNPGHA-MRXNPFEDSA-N 311.337 2.867 0 50 DFAA Cc1c(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)nnn1C 333301857 IZLBNCQBIWKSID-CQSZACIVSA-N 311.389 2.883 0 50 DFAA COCc1nc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)cs1 331822518 CRBHFOSNLKPSAH-LLVKDONJSA-N 308.325 2.750 0 50 DFAA O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1c1nccs1 215181140 LZMCNJMMWAPJBT-GFCCVEGCSA-N 302.403 2.722 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CC[C@](O)(c2ccccc2)C1 215286002 UEKMSTIREPXETA-QGZVFWFLSA-N 319.836 2.729 0 50 DFAA O=C(O)c1ccnc(-c2ccnc(COc3ccccc3)n2)c1 71767639 SXDIAFFGOFJOKF-UHFFFAOYSA-N 307.309 2.816 0 50 DFAA CS[C@@H](C)CCN1CCN(CCc2ccccc2)C(=O)C1 215382668 PXNAKFCKGOICQY-HNNXBMFYSA-N 306.475 2.515 0 50 DFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc(CO)o1 71755011 YYOQSHRAOLZKGM-UHFFFAOYSA-N 312.325 2.699 0 50 DFAA Cc1nc[nH]c1-c1nccn1Cc1cnn(Cc2ccccc2)c1 71749513 KJASXERAWHZFPO-UHFFFAOYSA-N 318.384 2.875 0 50 DFAA CC[S@](=O)[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1 242273741 YFNYDDNKNIHINW-JDVZNGIOSA-N 322.474 2.683 0 50 DFAA COc1nc2c(cc1C(=O)N1CCC[C@H]1c1ccccn1)CCC2 72410240 TWMGXEYBZDVPCJ-KRWDZBQOSA-N 323.396 2.951 0 50 DFAA O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(C2CC2)[nH]n1 342123216 HUDMCIOSEVKLMU-UHFFFAOYSA-N 311.320 2.864 0 50 DFAA CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccncc2F)n[nH]1 289213659 WUTLCNZZVPOMIQ-ZDUSSCGKSA-N 317.368 2.830 0 50 DFAA CN(C(=O)c1ccc(Cl)cc1Br)[C@H]1CCNC1 179095160 KYJMOZFRUMYKCE-VIFPVBQESA-N 317.614 2.536 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1ccc(Cl)cc1 239425765 VFPBSKPRXHYBFY-DDHJSBNISA-N 319.788 2.522 0 50 DFAA C/C(=C\C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 179394338 XVLXKUDWWUAPFA-ABDJAZHISA-N 312.413 2.650 0 50 DFAA CCOc1cccc([C@H](C(=O)O)N(C)Cc2cc(C)no2)c1 95388845 ASVICDUWELDAEL-OAHLLOKOSA-N 304.346 2.639 0 50 DFAA CCN(Cc1ccncc1)C(=O)CCc1n[nH]c2c1CCCC2 97654027 MGJFQWWJAPGFFC-UHFFFAOYSA-N 312.417 2.665 0 50 DFAA CCCCn1nc(C2CCCC2)nc1C1(O)CCN(C)CC1 96179599 IAAIQVJVEVHWRO-UHFFFAOYSA-N 306.454 2.649 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 268943825 NNJOZDICIUEUAX-CZUORRHYSA-N 301.386 2.505 0 50 DFAA O=C(NCCCc1ccc(O)cc1)c1ccccc1-c1nc[nH]n1 97574913 BHRQMPPOVFTDDA-UHFFFAOYSA-N 322.368 2.540 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H]([C@@H](C)N)C1 269300325 XKGGKUPSZDFFCN-AGIUHOORSA-N 310.825 2.693 0 50 DFAA CCCc1nc(N2CCC(c3nc(C(C)C)no3)CC2)no1 670443792 BPXDBSZBURANBM-UHFFFAOYSA-N 305.382 2.913 0 50 DFAA CCc1nc(CNC(=O)c2cccc3c2CCC3=O)cs1 670465094 AXGMZAAPXCKEFE-UHFFFAOYSA-N 300.383 2.764 0 50 DFAA O=C(NCc1ccc2c(c1)CCO2)NCc1cc(C(F)F)no1 1875277030 YJTPDBBZJPJOCG-UHFFFAOYSA-N 323.299 2.547 0 50 DFAA Cc1nc2c(s1)[C@H](NCc1noc3c1COCC3)CCC2 1875284648 DJFAXCQGUGMKJH-LLVKDONJSA-N 305.403 2.679 0 50 DFAA CO[C@H]1COCC[C@@H]1NC(=O)C1(c2ccccc2)CCCCC1 1565514614 WQZPOFMUHGCAEN-IRXDYDNUSA-N 317.429 2.809 0 50 DFAA O=C(NN1C[C@@H](c2ccccc2F)OC1=O)c1ccccc1 170619027 IOJAZEAYTRIJQR-AWEZNQCLSA-N 300.289 2.664 0 50 DFAA CCc1ccc2occ(C(=O)NOC3CCN(C)CC3)c2c1 408517867 YAHJEDIFXGLBKW-UHFFFAOYSA-N 302.374 2.751 0 50 DFAA C[C@H]1CCN(C)c2ccccc2N1C[C@@H](O)COC(C)(C)C 225442895 RKMCGPQABWESDD-LSDHHAIUSA-N 306.450 2.897 0 50 DFAA Cn1nccc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 225537350 RPLXQGZJXJYGMR-JTQLQIEISA-N 313.327 2.542 0 50 DFAA CC[C@H](O)c1cn(-c2c(F)cccc2Br)nn1 725264287 HAQAMXROJSCMHW-JTQLQIEISA-N 300.131 2.612 0 50 DFAA CCc1ccc([C@@H]2CN(Cc3n[nH]c(CC)n3)CCO2)cc1 190300541 LXXMZMPKJGNMTJ-HNNXBMFYSA-N 300.406 2.503 0 50 DFAA CCN(C)c1ccc(CNc2ccc3c(c2)oc(=O)n3C)cn1 191422529 BWVNOAYLZJZDCJ-UHFFFAOYSA-N 312.373 2.595 0 50 DFAA CSc1cnn(-c2ccccc2)c1NC(=O)Nc1cc[nH]n1 192279342 UZJZPPCHNPONGN-UHFFFAOYSA-N 314.374 2.961 0 50 DFAA CC[C@H](Nc1cccnc1Cl)C(=O)NCc1nccs1 585121991 IXLZWYOKPNJRAU-VIFPVBQESA-N 310.810 2.698 0 50 DFAA CN(C)Cc1cccc(NC(=O)[C@H](C(=O)O)C2CCCC2)c1 663112032 CWCUTLRJFVWNLJ-OAHLLOKOSA-N 304.390 2.578 0 50 DFAA Cc1cnc(NC[C@@H](c2ccco2)N2CCCC2)nc1N(C)C 1529107154 XAOXXHYBCMYERQ-AWEZNQCLSA-N 315.421 2.693 0 50 DFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCC1 1529192553 XLDBIHMCZHKEFW-QAPCUYQASA-N 310.397 2.709 0 50 DFAA OCc1csc(N2CCC3(CC2)OCCc2ccsc23)n1 1704331734 UOJGXHWCLQYGPL-UHFFFAOYSA-N 322.455 2.765 0 50 DFAA CC(C)(C)C(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1615733315 CNSSGOJWTWAXNX-YOEHRIQHSA-N 312.413 2.955 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1csc(Br)c1 226193443 GEHTVDWCTCPDCK-WPRPVWTQSA-N 317.252 2.853 0 50 DFAA CCOc1ccc(C(=O)CSc2nc(C)cc(O)n2)cc1 5318366 OJRJHINAQIYOJX-UHFFFAOYSA-N 304.371 2.864 0 50 DFAA C=Cc1ccc(C(=O)N[C@H]2CCCc3nc(N(C)C)ncc32)cc1 12706600 VRJFZXCKICSFEG-INIZCTEOSA-N 322.412 2.993 0 50 DFAA c1csc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19537428 DJJNSUOHPNMDAU-UHFFFAOYSA-N 316.426 2.795 0 50 DFAA O=C(O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19832903 KZKOSTLKZYIZTO-UHFFFAOYSA-N 310.397 2.703 0 50 DFAA CCOc1cccc2cc(C(=O)NC3CCCC3)c(=O)oc12 1053622 SSGCUIYVJUQQBF-UHFFFAOYSA-N 301.342 2.864 0 50 DFAA biogenic Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)nn1 411536752 HUQMTUVLYFSUQE-HNNXBMFYSA-N 317.776 2.652 0 50 DFAA Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(Cl)cc(F)c1N 225558387 OTSPHEVSJDIZKS-SSDOTTSWSA-N 310.760 2.594 0 50 DFAA CN(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CC1 114936536 XZMVPCGOEPZNFU-UHFFFAOYSA-N 305.397 2.594 0 50 DFAA O=C(O)C[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)c2ccccc21 321783029 RVFOECKYQXHDQD-BBRMVZONSA-N 307.349 2.931 0 50 DFAA COc1ccc(CC[C@@H]2CCCCN2CC(=O)O)cc1OC 237252006 XBMZRCFJDDECGZ-AWEZNQCLSA-N 307.390 2.576 0 50 DFAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 246572046 BTFPHOPJRSBLDX-ZLKJLUDKSA-N 312.335 2.616 0 50 DFAA COCc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253395685 FTUOHKXZFMOVFR-KZNAEPCWSA-N 317.429 2.989 0 50 DFAA COC[C@H](NC(=O)c1cc2c(s1)CCOC2)c1ccc(C)o1 266949291 SEWDUWFDFKGUTI-LBPRGKRZSA-N 321.398 2.840 0 50 DFAA CCc1csc(CC2CCN(C[C@@H]3C[C@H]3C(=O)O)CC2)n1 903904897 PKIFELNWXLGKIU-GXTWGEPZSA-N 308.447 2.681 0 50 DFAA Cc1cc(C)c(S(N)(=O)=O)cc1-c1cn(C)c2cnccc12 2325869209 CFLACTDTKZBDMM-UHFFFAOYSA-N 315.398 2.505 0 50 DFAA COc1ccc2oc(=O)c(C(=O)NC3CCCCC3)cc2c1 281325 FUTRTQYHTUOZGL-UHFFFAOYSA-N 301.342 2.864 0 50 DFAA CCOc1ccc(S(=O)(=O)n2ccnc2C)c2ccccc12 297218 PWBZREJGDPYRLG-UHFFFAOYSA-N 316.382 2.980 0 50 DFAA Cc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C 535407 FCZNYBMEBHHJQK-UHFFFAOYSA-N 301.371 2.683 0 50 DFAA Cc1ccc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 571879 ZQNRJHXZTFCITI-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA Cc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 2345050 XUQIOOATRIBMGJ-UHFFFAOYSA-N 313.357 2.578 0 50 DFAA CCOC(=O)C(CCCOc1ccc(OC)cc1)C(=O)OCC 2880574 WUZAGCIGBZHNFY-UHFFFAOYSA-N 324.373 2.597 0 50 DFAA COc1ccc(CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 2965098 OWDZQSDWUKYMRK-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA CCn1c(C[C@H]2C(=O)Nc3ccccc32)nc2ccccc2c1=O 4851652 WCBBWJXRDSFYOP-CQSZACIVSA-N 319.364 2.695 0 50 DFAA CN(Cc1ccc2nonc2c1)Cc1nc(-c2ccccc2)no1 55371271 QFMHKAYFRDSTQC-UHFFFAOYSA-N 321.340 2.905 0 50 DFAA COCCN(C/C=C/c1ccccc1OC)Cc1cnn(C)c1 55120551 FIGWJZIUIVDSSC-SOFGYWHQSA-N 315.417 2.591 0 50 DFAA COc1ccc(Cc2nn3c(-c4ccccn4)nnc3s2)cc1 9576276 DGIRKZZBAKFESB-UHFFFAOYSA-N 323.381 2.847 0 50 DFAA C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 229903010 YTSDLUBVJXQEBT-XNJGSVPQSA-N 311.385 2.680 0 50 DFAA CCc1nccn1CCc1nc(C(C)C)nn1-c1ccccn1 65421374 AXIPZZDVNLQGEG-UHFFFAOYSA-N 310.405 2.787 0 50 DFAA CC(C)[C@@H]1N(C(=O)NCCc2cscn2)CC12CCOCC2 334055659 VABKDUHSHJKFNF-AWEZNQCLSA-N 323.462 2.532 0 50 DFAA C[C@H]1CN(C)CC[C@H]1NC(=O)CCCCC(=O)c1ccccc1 252467426 KALWZJYXFVSXOL-DOTOQJQBSA-N 316.445 2.886 0 50 DFAA Cc1nc(Cc2noc([C@H]3OCC[C@H]3c3ccccc3)n2)no1 328633677 STPFVSKEEZNJFT-WFASDCNBSA-N 312.329 2.597 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1C[C@@H]1c1ccc(F)cc1 252666600 CAEHGDMJABMDRM-VSZNYVQBSA-N 311.356 2.704 0 50 DFAA COC(=O)C[C@@H](c1ccc(O)cc1)N1Cc2ccccc2C1=O 1404064 WUNRZZZAOYCCPE-INIZCTEOSA-N 311.337 2.652 0 50 DFAA C[C@@H]1CCc2c(F)cccc2[C@@H]1N1C(=O)[C@H]2CCCN2C1=O 253394295 AZJVBGLRTASBED-VCTAVGKDSA-N 302.349 2.876 0 50 DFAA Cc1cc(C)n2nc(OCCOc3ccc(Cl)cc3)nc2n1 210010090 XQFMOBKQELKMKF-UHFFFAOYSA-N 318.764 2.852 0 50 DFAA CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(OC(C)C)c(C)c1 124786266 IEEMDHAYDXPWMP-CQSZACIVSA-N 319.405 2.525 0 50 DFAA O=C(Nc1ccc2c(c1)COC2)N1CCC[C@H](c2ccn[nH]2)C1 124043014 LAJYXSFSEMADPE-LBPRGKRZSA-N 312.373 2.851 0 50 DFAA CCc1nc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)no1 72120890 QWENLFZIFFZSMH-OAHLLOKOSA-N 313.401 2.656 0 50 DFAA O=C(N[C@@H](CC(F)(F)F)C(=O)O)c1ccc2c(c1)CCCC2 261980530 AKLQGUOLZFWEJM-LBPRGKRZSA-N 315.291 2.701 0 50 DFAA Cc1cc(N2CCN(C(=O)Cc3cccs3)CC2)cc(C)n1 77556393 QCCFQMBJPZMVIA-UHFFFAOYSA-N 315.442 2.651 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c(C)c1 379265313 JNGDCIFAJZMZDI-YPMHNXCESA-N 300.324 2.798 0 50 DFAA Cn1ncc2c1C[C@@H](C(=O)Nc1cccc(-c3cn[nH]c3)c1)CC2 376753051 VZBFHSYBZCRPPK-ZDUSSCGKSA-N 321.384 2.554 0 50 DFAA CC(C)(C)c1ncc(C(=O)N2CCC([C@H]3CCNC3)CC2)s1 377755674 JSJWCVAQLRYZLE-ZDUSSCGKSA-N 321.490 2.902 0 50 DFAA Cc1nc(C(C)(C)NC(=O)c2cc(C(=O)O)ccn2)sc1C 262968279 AVXDBMHBGIUKSM-UHFFFAOYSA-N 319.386 2.518 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)N1CCC(c2ncc[nH]2)CC1 74892572 SETPUSLLNUCDCD-UHFFFAOYSA-N 308.385 2.840 0 50 DFAA Cc1noc(C)c1CCc1nn2c(CC(C)C)nnc2s1 71575357 JKMOLSZRCROEJP-UHFFFAOYSA-N 305.407 2.774 0 50 DFAA O=C(O)c1ccc(C[C@H]2CCN(C(=O)CCC3CC3)C2)cc1 72425278 VRCYABZQWJVHHF-OAHLLOKOSA-N 301.386 2.966 0 50 DFAA CCCCO[C@@H]1C[C@@H](N[C@H]2CCCn3nc(C)nc32)C1(C)C 245889783 MAHBWFURQZQBCM-RRFJBIMHSA-N 306.454 2.995 0 50 DFAA CC1(C)[C@H](NCc2ccnc(N3CCCC3)c2)[C@@H]2CCCO[C@H]21 245826400 AZRKEYBDWOKALM-CGTJXYLNSA-N 315.461 2.975 0 50 DFAA CCOC1CC2(CCN(C(=O)c3cccnc3NC(C)C)C2)C1 286775081 UIRDINCLEAVMPE-UHFFFAOYSA-N 317.433 2.933 0 50 DFAA Brc1cnc(N2CCCC[C@H]2c2cc[nH]n2)nc1 289095937 KFBKQTXGJGOUPH-NSHDSACASA-N 308.183 2.694 0 50 DFAA COC[C@]1(CNCc2cccs2)OCCc2ccccc21 289896241 QSYDUDJARGCVFD-KRWDZBQOSA-N 303.427 2.952 0 50 DFAA COc1ccc(C(=O)N2CC[C@](C)(C(=O)O)C2)c2ccccc12 178261256 QEXSYBCLMUKJKZ-SFHVURJKSA-N 313.353 2.785 0 50 DFAA CCCn1ncnc1[C@H](C)NC(=O)Cc1c(F)cccc1Cl 220302314 ONWUVDWNYMOVHT-JTQLQIEISA-N 324.787 2.901 0 50 DFAA O=C(c1cc(C(F)F)[nH]n1)N1CCC(c2ccncc2)CC1 426511591 HAACPKTVWQACHY-UHFFFAOYSA-N 306.316 2.762 0 50 DFAA O=C(c1cc2n(n1)CCO2)N(Cc1ccoc1)C1CCCCC1 291603152 YLFDQBQYWHLRLW-UHFFFAOYSA-N 315.373 2.844 0 50 DFAA Cc1c([C@H](C)NC(=O)c2c[nH]nc2-c2cccs2)cnn1C 426489969 DJZQMNAFCNBYCQ-VIFPVBQESA-N 315.402 2.671 0 50 DFAA CC(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1NC(=O)CC1CCC1 91706993 RYMBLYGXYINQLJ-MSOLQXFVSA-N 315.461 2.844 0 50 DFAA COCc1ccc(C(=O)NC[C@@H](c2ccccc2C)N(C)C)o1 96163235 XXDTYRUIKBQDSC-INIZCTEOSA-N 316.401 2.767 0 50 DFAA CCc1nn(C)c(Cl)c1CN1CCC[C@@H](c2ncc[nH]2)C1 92071467 ZCXUVFLQWJGMIW-LLVKDONJSA-N 307.829 2.739 0 50 DFAA CSCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95359407 RCECWIOVTQTXOQ-DLBZAZTESA-N 318.486 2.863 0 50 DFAA Cc1nc(C2CC2)ncc1C(=O)NC[C@H]1COc2ccccc2C1 91770777 AAYQMEPQNVUVAK-ZDUSSCGKSA-N 323.396 2.644 0 50 DFAA O=C(NCc1nnc2n1CCCC2)c1ccc2sccc2c1 91643379 IUQQEEWLYSEWSQ-UHFFFAOYSA-N 312.398 2.759 0 50 DFAA Cc1ncsc1CCC(=O)N(C)C[C@H]1Cc2ccccc2O1 299799472 SMFSAFRFNJHIHO-CQSZACIVSA-N 316.426 2.846 0 50 DFAA COc1ccccc1[C@H]1CN(CC(=O)O)Cc2ccccc2O1 299755162 CSSFHFXJPSICPO-QGZVFWFLSA-N 313.353 2.716 0 50 DFAA COCC1(C(=O)N2CCC(CCN3CCCC3)CC2)CCC1 584892699 KDAIKJPCGFDWQW-UHFFFAOYSA-N 308.466 2.528 0 50 DFAA CC[C@H](NC(=O)c1cc(C)n(CC)c1C)[C@H](O)C(F)(F)F 270892716 PVRUGSGEWOYUAC-RYUDHWBXSA-N 306.328 2.556 0 50 DFAA CC(C)Cc1cc(CNC(=O)CN2CCCCCCC2)on1 584901743 PZVWXDZTCMEMLD-UHFFFAOYSA-N 307.438 2.755 0 50 DFAA COCc1nc(CN(C)C)n(-c2ccc(Cl)c(Cl)c2)n1 670435281 KLGZXKRBXNXDBO-UHFFFAOYSA-N 315.204 2.782 0 50 DFAA N[C@@H]1CN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C2(CCCCC2)C1 1875292405 HISUFLAFQSMNAI-INIZCTEOSA-N 324.428 2.953 0 50 DFAA CON1CCC(CC(=O)Nc2ncc(CC(C)C)s2)CC1 1875267810 IBXQIRGPLPCCOL-UHFFFAOYSA-N 311.451 2.944 0 50 DFAA CC[C@H](CN(C=O)Cc1n[nH]c(C)c1C)Oc1cccc(F)c1 1875324791 BGQARZHIQIBBGR-OAHLLOKOSA-N 319.380 2.982 0 50 DFAA COc1ccc(NC(=O)CCC(F)(F)F)cc1C(=O)N(C)C 952977380 AUDWFKRWTJUXBM-UHFFFAOYSA-N 318.295 2.678 0 50 DFAA Brc1ccc(CN2CCc3ncncc3C2)cc1 880593330 UZHYEYBLOKXLEA-UHFFFAOYSA-N 304.191 2.797 0 50 DFAA CCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 952964790 QJXCGTZSDFENOL-ZDUSSCGKSA-N 317.838 2.920 0 50 DFAA CCc1noc(C)c1CN1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 888102691 GMRZOCWGFGESPB-CJNGLKHVSA-N 318.421 2.847 0 50 DFAA CN(C)[C@H]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CCC(=O)O 1565511502 ZMEBISHRFBMOTO-ZBFHGGJFSA-N 324.852 2.957 0 50 DFAA Cc1cccc(C)c1NC(=O)NCC[S@](=O)C(F)(F)F 585119953 CEYFVVXOHKLZCJ-FQEVSTJZSA-N 308.325 2.693 0 50 DFAA Nc1ncnc(N2CCC[C@H]2C[C@H](O)c2ccccc2)c1Cl 277940775 WZHOSEIELFLFNN-STQMWFEESA-N 318.808 2.805 0 50 DFAA Cc1nn(C)cc1[C@H](C)Nc1cc2c(cc1F)NC(=O)CC2 187873451 RKQFJBLLPWBBHH-VIFPVBQESA-N 302.353 2.925 0 50 DFAA O=C(NCC1(CCO)CC1)Nc1ccc2[nH]c(C(F)F)nc2c1 189238685 DGMXSTAOGCMUIN-UHFFFAOYSA-N 324.331 2.785 0 50 DFAA COc1ccc(Br)cc1CN[C@H]1CCCOC1 109544506 BSBWSKXSBDWGSU-LBPRGKRZSA-N 300.196 2.726 0 50 DFAA COc1ccc(CC(=O)N(C)[C@H](C)c2ccccn2)cc1F 194722650 AOPAUIGEHXNZEY-GFCCVEGCSA-N 302.349 2.991 0 50 DFAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCc2ncc[nH]2)c1C 1506396335 CTMMOHHLBOOXGN-UHFFFAOYSA-N 321.446 2.803 0 50 DFAA Cc1nn(C)cc1NC(=O)C1CCN(C2CCCCC2)CC1 1529158940 KMWWBMMEFMXERK-UHFFFAOYSA-N 304.438 2.712 0 50 DFAA CCCC[C@H]1CN(C(=O)c2cc(O)ccc2N)C[C@@H](C2CC2)O1 1615937338 QUWLJYVPLWDOGT-YOEHRIQHSA-N 318.417 2.784 0 50 DFAA COc1ccccc1-c1cnn2c(N3CCOCC3)cc(C)nc12 5345600 HMWPJATYUZLJGR-UHFFFAOYSA-N 324.384 2.550 0 50 DFAA CC(C)=C[C@@H]1C=C(C)[C@H](C)[C@H](C(=O)OCCN(C)C)[C@H]1C(=O)O 5487273 DBWBOVQNOJBGMP-FZKCQIBNSA-N 323.433 2.587 0 50 DFAA CCCN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 16605182 VDWNYUCWRYNOPA-UHFFFAOYSA-N 300.324 2.873 0 50 DFAA c1cc(-c2nc(C3CCCC3)nn2[C@H]2CCOC2)c2[nH]nnc2c1 1857679791 VOWWHQQBCLSSOG-LBPRGKRZSA-N 324.388 2.835 0 50 DFAA COc1ccc2[nH]c(C(=O)N[C@H]3CCCCCC[C@@H]3O)cc2c1 1857691282 CYDNJJDVRCMMHA-RDJZCZTQSA-N 316.401 2.990 0 50 DFAA COc1cc(C(=O)N2CC[C@H](c3nc(C)no3)C2)ccc1Cl 332088270 SYHINDIVCBJLOE-NSHDSACASA-N 321.764 2.670 0 50 DFAA Cc1cc(C)c2c(c1)CN(C(=O)N[C@@H](C)c1ccn(C)n1)CC2 332112322 JKYGBGSPQXODIN-AWEZNQCLSA-N 312.417 2.866 0 50 DFAA Cc1ccccc1[C@@H]1CN(Cc2cccc(C(N)=O)c2)CCO1 126310477 IROIPHAFVJSZRJ-SFHVURJKSA-N 310.397 2.667 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 238082127 NSMUYUWEAUFURY-INIZCTEOSA-N 309.365 2.752 0 50 DFAA O=C([C@H]1CCc2cc(F)ccc21)N1CCC(c2ncc[nH]2)CC1 667652003 PINGCALXVRYGOV-INIZCTEOSA-N 313.376 2.985 0 50 DFAA Cc1cc(C(=O)N2CCN[C@H](c3cccnc3)C2)c(C)n1C1CC1 374368375 ZCSSEBZPOHZZKN-SFHVURJKSA-N 324.428 2.622 0 50 DFAA Cc1cn(-c2ccccc2)nc1NC(=O)c1c[nH]c2ncccc12 592805722 NQPLRFIAICBQCV-UHFFFAOYSA-N 317.352 3.309 0 50 DFAA CC(C)n1cc(NS(=O)(=O)CCc2cccc(F)c2)cn1 901884687 VESYHMLAEKCLNP-UHFFFAOYSA-N 311.382 2.588 0 50 DFAA Cc1c[nH]nc1CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C 290964564 WSZHLNGPIKELHJ-MRXNPFEDSA-N 310.442 2.747 0 50 DFAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(OCC(N)=O)c1 245316680 KDQOTUCJNAVBIB-UKPHBRMFSA-N 302.418 2.704 0 50 DFAA O=C(CCn1c(=O)sc2ccccc21)NC1CCCCC1 245863 YXHMXRBPTQHDQJ-UHFFFAOYSA-N 304.415 2.902 0 50 DFAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(N)=O 436070 VLQXPKQVWVONQH-UHFFFAOYSA-N 318.760 2.765 0 50 DFAA C[C@H](NC(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 571738 BBJLNQXIJKWJGM-LBPRGKRZSA-N 318.398 2.549 0 50 DFAA Cn1cnc2nc(-c3cc(CN)cc(C(F)(F)F)c3)ncc21 2356157343 GIWDLUPYJPVJFP-UHFFFAOYSA-N 307.279 2.508 0 50 DFAA CCOc1ccc(N[C@@H]2CC(=O)N(C3CCCCC3)C2=O)cc1 2890105 ZTINLJXWRKEFKE-MRXNPFEDSA-N 316.401 2.957 0 50 DFAA Cn1cnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 4118186 SHHJVZLCZARUGZ-UHFFFAOYSA-N 316.308 2.565 0 50 DFAA O=C(CSCc1ccc(Br)cc1)NC1CC1 4826411 NZFVOWTUSDKERF-UHFFFAOYSA-N 300.221 2.961 0 50 DFAA CC(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc32)cc1 4937581 AUCGOYDWKWWBAK-UHFFFAOYSA-N 308.341 2.633 0 50 DFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 53460821 MDWIWHLKJGFVMM-CQSZACIVSA-N 306.381 2.546 0 50 DFAA Cc1ccn2c(C(=O)NC[C@@H](C)Oc3cccnc3)c(C)nc2c1 67872282 ZNBONHXZIGLUGN-CYBMUJFWSA-N 324.384 2.543 0 50 DFAA CCCCCOc1ccc(S(=O)(=O)n2cccn2)cc1C 170615121 LGFGNCMZONSGFV-UHFFFAOYSA-N 308.403 2.998 0 50 DFAA CCN1CCN(CCCCOc2ccc3c(c2)CCC3)CC1 20390046 GBXVCEQSGVFKSI-UHFFFAOYSA-N 302.462 2.972 0 50 DFAA Cc1cc(N)n(CC(=O)N2CCCCC[C@@H]2c2ccco2)n1 1506425643 FPGQXURJACYPNL-CYBMUJFWSA-N 302.378 2.511 0 50 DFAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 252476752 AXJPRLXOIJSVFG-QMCVQRASSA-N 318.417 2.601 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccco3)C[C@H]21 230139793 ORRYMVWZFJSODX-YNEHKIRRSA-N 320.389 2.655 0 50 DFAA Cn1ccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc21 170625480 LEHFGVYQOHNISM-INIZCTEOSA-N 322.364 2.604 0 50 DFAA biogenic Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCSC2)cc1Cl 127274465 GDZOBPHSCVNDES-NSHDSACASA-N 312.822 2.551 0 50 DFAA Cc1ccnn1CCN(C)Cc1ccccc1CN1CCCC1 1506429595 VPBHZZXYBFORFW-UHFFFAOYSA-N 312.461 2.919 0 50 DFAA Cc1ccc(C2(O)CCN(Cc3coc(C(C)C)n3)CC2)nc1 67821660 ZOHLANHVNKRYGA-UHFFFAOYSA-N 315.417 2.985 0 50 DFAA Cc1ccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)nn1 67934822 VXCNTPXAWPDDDO-UHFFFAOYSA-N 315.392 2.746 0 50 DFAA Cc1nc(CCNC2CCN(Cc3cccnc3)CC2)cs1 328595188 NPFUPCGXJUSFBZ-UHFFFAOYSA-N 316.474 2.643 0 50 DFAA CCOC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 860102 SINQRTJMWREXJR-GOEBONIOSA-N 303.402 2.982 0 50 DFAA CC(C)n1cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)cn1 333212747 DBSHBCMWMLZFLU-LSDHHAIUSA-N 311.451 2.711 0 50 DFAA Cc1cccc(NC(=O)[C@H](CC(=O)O)NCc2ccccc2)c1 5060438 KFMSGLLLWNYEIA-INIZCTEOSA-N 312.369 2.567 0 50 DFAA N[C@@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)c2)CC1 72154756 RSWGDNKIQRTUJT-GFCCVEGCSA-N 316.323 2.581 0 50 DFAA C[C@H](C(=O)NCc1ccccc1)N1CCc2ccc(F)cc2C1 134109012 FZKNLSHJWNWOOL-CQSZACIVSA-N 312.388 2.889 0 50 DFAA Cc1ccc(Sc2ccc(CN3CC[C@](O)(CO)C3)o2)cc1 216536090 OKTXTHHBNCUUSY-QGZVFWFLSA-N 319.426 2.668 0 50 DFAA CCCSCC(=O)N(C)Cc1cc(-c2ccncc2)no1 219571964 CEONANRLRMEMKR-UHFFFAOYSA-N 305.403 2.838 0 50 DFAA CNC(=O)[C@H]1C[C@H]2C[C@H](C2(C)C)[C@@]1(C)NC(=O)OC(C)(C)C 32098952 YYIOUIMMZRRKRK-AEMSQSNESA-N 310.438 2.698 0 50 DFAA CCc1cc(NCc2ccc(OC)cc2OC)n2nccc2n1 72423278 WJGMXICMRBDZJO-UHFFFAOYSA-N 312.373 2.921 0 50 DFAA CN[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1 178602632 ZNQRTCMENKEJFH-SECBINFHSA-N 317.216 2.826 0 50 DFAA Cc1ccc2nc(C(=O)N3CCOC4(CCCC4)C3)c(F)n2c1 426526948 QRBWHWXMNCJTRV-UHFFFAOYSA-N 317.364 2.567 0 50 DFAA Cc1ccc(C)c(OCCC(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 269297239 WKZRPWPGWLLOLU-CVEARBPZSA-N 304.434 2.658 0 50 DFAA CC(C)n1cnnc1CN(C)C[C@@H]1CCOc2ccccc2C1 95531433 PVDPLELNSKNEFO-OAHLLOKOSA-N 314.433 2.932 0 50 DFAA Cc1ccc2c(n1)OCCN2C(=O)c1ncccc1C(F)(F)F 180451889 DIQWURPMLSJIOJ-UHFFFAOYSA-N 323.274 2.843 0 50 DFAA O=C1CCCc2occ(C(=O)N3CCCC[C@H]3c3ncc[nH]3)c21 294752498 PHNWPUQFDDADGT-LBPRGKRZSA-N 313.357 2.889 0 50 DFAA CCCn1ccnc1CN1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91412124 MFHMMWCIXFNSFP-JKSUJKDBSA-N 313.401 2.593 0 50 DFAA CCc1cccc(OCCCN(C)C(=O)Nc2cnn(C)c2)c1 96153902 SMBUIHXIRDBLBB-UHFFFAOYSA-N 316.405 2.915 0 50 DFAA Cc1cccnc1N1CCN(CCn2cnc3ccccc32)CC1 240228083 KFUMSGQCEXETQZ-UHFFFAOYSA-N 321.428 2.562 0 50 DFAA C[C@@]12CC[C@@H](O)C[C@]1(O)[C@@H](O)C[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 257345763 IFRIPYPBJCUNAG-UGWFIIBNSA-N 308.462 2.866 0 50 DFAA COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1ccnn1C 274572316 DXVSPJUFFKIAQV-QGZVFWFLSA-N 313.401 2.555 0 50 DFAA CC(C)C(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H](N(C)C)C2)cc1 685940186 OBLDKYOFPWZRQM-AKAXFMLLSA-N 317.433 2.987 0 50 DFAA CCc1oc2ccccc2c1C(=O)N1CCN(c2ncc[nH]2)CC1 1297228494 KRUIBJUGOVWANW-UHFFFAOYSA-N 324.384 2.681 0 50 DFAA CCOC1(CN=c2[nH]c3cnccc3n2C)CCCCCC1 1875331500 KBMAWVKCVVRPNO-UHFFFAOYSA-N 302.422 2.932 0 50 DFAA Cc1ccc(NS(C)(=O)=O)cc1-c1cncc2cccnc12 1875317112 NNNVVLNBEBUFGM-UHFFFAOYSA-N 313.382 2.977 0 50 DFAA Cc1cccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)c1C 952884034 RWYSGTJIPKJYQN-INIZCTEOSA-N 317.429 2.697 0 50 DFAA C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cn2c(n1)CCCC2 952992937 MFSOWCCQHRGHSD-HNNXBMFYSA-N 324.428 2.570 0 50 DFAA CCc1nc2cc(NC(=O)[C@@H]3CCCN3C)ccc2n1CC 952981102 GMOVQRDWSLASPI-HNNXBMFYSA-N 300.406 2.651 0 50 DFAA Cc1cc(Br)cc(NCCn2cnnc2C(C)C)n1 892751024 QGGOHFMWQHRBOD-UHFFFAOYSA-N 324.226 2.980 0 50 DFAA CC(C)=CCN1CCCN(C(=O)c2cc(C)nc(C)c2)CC1 981248759 HQUKUBYVSOMTON-UHFFFAOYSA-N 301.434 2.813 0 50 DFAA Cc1cc2c(cc1NC(=O)c1ccc3cccnc3n1)OCO2 1435855367 NKWDDIKCFNAYEA-UHFFFAOYSA-N 307.309 2.919 0 50 DFAA Cn1cc([C@H]2OCC[C@@H]2C(=O)NCCC2=CCCCC2)cn1 275239840 FBZWYAYSDZKHBE-JKSUJKDBSA-N 303.406 2.504 0 50 DFAA Cc1cccc(-c2cncc(C(=O)N[C@@H](C)c3ncon3)c2)c1 170069382 IXFIRGKJDZMWKF-LBPRGKRZSA-N 308.341 2.931 0 50 DFAA O=C(Cc1ccc(F)c(F)c1)NCc1cccc(C(=O)O)c1 170030919 GPUCMPPFBLRRDQ-UHFFFAOYSA-N 305.280 2.522 0 50 DFAA Cc1cnc(O)n1-c1ccc(-c2nc(-c3cccnc3)no2)cc1 731790326 BQSFQPJSZFITGG-UHFFFAOYSA-N 319.324 2.998 0 50 DFAA COCc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)o1 225539366 WTYOVCWQTRCUHI-DZGCQCFKSA-N 319.332 2.513 0 50 DFAA COc1ccnc(CN2CCO[C@H](c3ccc(C)o3)C2)c1OC 190961692 YLQWAUQVTNKEGL-INIZCTEOSA-N 318.373 2.574 0 50 DFAA O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CCCNC1 195181066 ZHCLSETWUOJCAT-CQSZACIVSA-N 320.396 2.964 0 50 DFAA COCCN(C(=O)[C@@H]1CCC[C@H](C(=O)O)C1)[C@@H]1CC[C@H](C)C1 668300781 WUURRNMBFVVPLU-LJISPDSOSA-N 311.422 2.541 0 50 DFAA CCCn1nc(C)c(NC(=O)c2ccc3c(c2)OCO3)c1C 1529181385 NJGRZIOMWYMUAC-UHFFFAOYSA-N 301.346 2.891 0 50 DFAA CN(C)c1nc(NCCCn2ncc3ccccc32)ncc1F 1704311730 ARSMYAHZDAUUGI-UHFFFAOYSA-N 314.368 2.534 0 50 DFAA Cc1ccc(CCC(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 1704280592 MXJZXPZKLIIICH-MOPGFXCFSA-N 324.424 2.697 0 50 DFAA Cc1cnc(CNC[C@@H](O)c2cccc(OC(F)F)c2)s1 1615572066 PETRMURQXDCQOM-GFCCVEGCSA-N 314.357 2.876 0 50 DFAA CSCC[C@H](C)N1CCCN(C(=O)c2ncccc2C)CC1 1772810910 QLGGWWKBPXPNLV-HNNXBMFYSA-N 321.490 2.680 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)NCCCn1ccnc1 12380667 IRAZNNUBEJXLTP-LBPRGKRZSA-N 307.781 2.510 0 50 DFAA CN1CCC[C@@H](CN(CCc2ccccc2)CC(C)(C)CO)C1 14973637 LEYJWIRJHIMMAP-LJQANCHMSA-N 318.505 2.891 0 50 DFAA Clc1ccc(-c2nnn(Cc3ccc4c(c3)OCO4)n2)cc1 16578547 STNGQJWUWCILTD-UHFFFAOYSA-N 314.732 2.771 0 50 DFAA Nc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccccc1 16648912 OZZFUBOBBMBWCE-UHFFFAOYSA-N 313.748 2.755 0 50 DFAA CCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O 18266815 XGCAYIHKDSNUST-UHFFFAOYSA-N 309.373 2.944 0 50 DFAA COc1ccc(CNC(=O)c2ccc(Br)cn2)cc1 15021465 WDOMBIXVPWZYFE-UHFFFAOYSA-N 321.174 2.783 0 50 DFAA in-vitro COc1ccccc1C1(CN[C@@H]2CCCNC(=O)C2)CCCC1 585140304 BZRDQTJXSWOFKT-OAHLLOKOSA-N 316.445 2.765 0 50 DFAA Cc1nc(CCNc2cc(N3CCCCC3)ncn2)cs1 264675968 VOSCMINBYAEDIA-UHFFFAOYSA-N 303.435 2.886 0 50 DFAA CCCOc1cccc(NC(=O)N2CC[C@H](CN)[C@@H](C)C2)c1 925934373 JHCXWMXZPNOANC-UONOGXRCSA-N 305.422 2.924 0 50 DFAA Cn1ncc2c(NCc3ccsc3Br)ncnc21 337765736 SMUJAOADMYWENZ-UHFFFAOYSA-N 324.207 2.799 0 50 DFAA Cc1cc(Cl)ccc1Cn1cc(CN2CCCCC2=O)nn1 900607830 OXHQEQRONTZQIC-UHFFFAOYSA-N 318.808 2.801 0 50 DFAA Cc1cc(F)ccc1Cc1noc(CCc2nccn2C)n1 2325774372 ULLMGKYTTQZCAT-UHFFFAOYSA-N 300.337 2.627 0 50 DFAA Cc1nc2c(s1)CCC[C@@H]2C(=O)O[C@H]1CCC2(COC2)C1 2325799759 WILRYGJCYLUUJR-RYUDHWBXSA-N 307.415 2.984 0 50 DFAA c1ccc(CN2CCN=C2N2CC(CC3CCOCC3)C2)cc1 2325841643 BVRRBHOLTYIMLI-UHFFFAOYSA-N 313.445 2.607 0 50 DFAA COc1ccc2nc(SCCOC[C@@H]3CCCO3)[nH]c2c1 123641278 ZQRIHYFBUBBTDB-LBPRGKRZSA-N 308.403 2.859 0 50 DFAA Cc1ccccc1NC(=S)N1CCN(c2ccccn2)CC1 314892 TVHVNDXRIZPQJN-UHFFFAOYSA-N 312.442 2.909 0 50 DFAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccccc1 994904 AYLZZJGWMCMKFX-AWEZNQCLSA-N 316.382 2.510 0 50 DFAA O=C(C[C@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccccc1 1624378 FUMGGMHJSMQEHX-MRXNPFEDSA-N 301.729 2.753 0 50 DFAA CCOC(=O)[C@](O)(c1ccc(N(CC)CC)cc1)C(F)(F)F 2950635 KBVKXULQMLSHLM-CQSZACIVSA-N 319.323 2.846 0 50 DFAA O=C(c1nnc2n1CCCCC2)N1CCCc2ccccc2C1 2356167839 FKQUKGPSEFBBMT-UHFFFAOYSA-N 310.401 2.593 0 50 DFAA CCOC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(OCC)c2)C1 4834241 UXVQITYSEXSXAP-OAHLLOKOSA-N 321.417 2.869 0 50 DFAA Cc1ccccc1Cn1c2ccccc2n2nc(C)c(=O)nc12 4840587 SQHABHQIRIVABE-UHFFFAOYSA-N 304.353 2.709 0 50 DFAA O=C(O)[C@@H](CNc1nc2c(F)cccc2o1)C1CCOCC1 863735664 FJTVEUPHWOUXOP-JTQLQIEISA-N 308.309 2.506 0 50 DFAA CCCc1nc(CN(CC)Cc2cnc(NC(C)C)nc2)no1 55154243 TVKRLLGTNHMMDU-UHFFFAOYSA-N 318.425 2.655 0 50 DFAA COc1ccc([C@H](NC(=O)/C=C\C(=O)O)c2ccccc2)cc1 106092359 AIJYPNGOLVBKTQ-YUIUBULTSA-N 311.337 2.542 0 50 DFAA O=C(c1ccccc1)c1ccc(OCCN2CCOCC2)cc1 22310174 STEJYNXMCOGTOW-UHFFFAOYSA-N 311.381 2.629 0 50 DFAA COc1ccc([C@H](C)Nc2cc(C)nc3ncnn23)cc1F 139415087 UJFWSLLGAQIKFW-JTQLQIEISA-N 301.325 2.754 0 50 DFAA Cc1ccc(CN2CC[C@@H](CNC(=O)NC(C)C)C2)cc1C 67840435 JZWNAGIBONRYNR-KRWDZBQOSA-N 303.450 2.833 0 50 DFAA CN1CCN(CCOc2ccccc2Cc2ccccc2)CC1 20653005 DKYGQDDTYJICJT-UHFFFAOYSA-N 310.441 2.904 0 50 DFAA O=C(NCc1nnc(-c2ccccc2)o1)c1cccc2c1OCC2 67908275 FJIRCZJBJMSVSC-UHFFFAOYSA-N 321.336 2.602 0 50 DFAA Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3ncccn3)cc2)cn1 252488169 IMJAIWVLTSNJSX-JKSUJKDBSA-N 319.368 2.619 0 50 DFAA Cc1nnc(COc2cc(F)ccc2-c2ccnn2C)s1 358627879 BZILHMXQHGHJDI-UHFFFAOYSA-N 304.350 2.965 0 50 DFAA CCCSc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)O 2561398 KGEVNBUQUCWLJD-UHFFFAOYSA-N 308.334 2.572 0 50 DFAA Cc1cc(CN(CCCn2ccnc2)Cc2ccncc2)on1 216258920 TVPBLEUAEGJEGE-UHFFFAOYSA-N 311.389 2.667 0 50 DFAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)CC[C@@H]1CCCCO1 237646883 XFRRXGVLSYQYOC-HOCLYGCPSA-N 319.401 2.976 0 50 DFAA Cc1ccc(CC(=O)N(C)c2ccc(OCC(=O)O)cc2)s1 262884917 BYDYGBXASYJCNY-UHFFFAOYSA-N 319.382 2.725 0 50 DFAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1Cc2ccc(Cl)cc2C1 458575526 XTKLXIYKTOGMOU-BDJLRTHQSA-N 319.836 2.848 0 50 DFAA Cc1cc(NCc2ccc3c(c2)nc(C)n3C)n2nccc2n1 72463092 XEPGVNXFLVKGFJ-UHFFFAOYSA-N 306.373 2.845 0 50 DFAA CCCn1ccnc1CN1CC[C@H](c2ccc(C(=O)O)cc2)C1 72157115 DCIYUHVUYRHISZ-INIZCTEOSA-N 313.401 2.981 0 50 DFAA Clc1ccc(Cc2nnc3sc(-c4cc[nH]n4)nn23)cc1 49548860 TXYLJJMDSUFBIF-UHFFFAOYSA-N 316.777 2.820 0 50 DFAA COC[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3)cc2)C1 223124991 LMDMJACTGNYCJG-OAHLLOKOSA-N 302.418 2.785 0 50 DFAA CN(CCCOc1ccccc1F)C(=O)C(C)(C)N1CCCC1 426465502 UGRCNACNQQEOOT-UHFFFAOYSA-N 322.424 2.927 0 50 DFAA Cc1ncnc(-c2ccccc2S(=O)(=O)NC(C)(C)C)c1C 97117515 QXWBSNCNTTUUEO-UHFFFAOYSA-N 319.430 2.837 0 50 DFAA c1cncc(-c2ccnc(NCc3ccc4c(c3)OCO4)n2)c1 96140007 KQBAXQAJHFYJCG-UHFFFAOYSA-N 306.325 2.879 0 50 DFAA CCN1CCC[C@@](C)(C(=O)NCCCc2nc(C)c(C)s2)C1 95383260 XUHFLUREUVONLV-QGZVFWFLSA-N 323.506 2.931 0 50 DFAA CN(Cc1ccno1)C(=O)CN1CCC[C@H](c2ccccc2)C1 91325656 IFIJPTUWTZLLJN-INIZCTEOSA-N 313.401 2.513 0 50 DFAA CCc1nnc(CN(CC)C(=O)[C@@H](C)n2ccnc2C(C)C)o1 95502015 QJLGIAFSDPRGMT-GFCCVEGCSA-N 319.409 2.562 0 50 DFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccsc1)C2 91649769 IKQHOHFMWXHCCA-LLVKDONJSA-N 303.383 2.738 0 50 DFAA CC[C@H]1C=CCN1C(=O)NCCN(C)CCc1ccccc1 426490777 XKNWSPFQPBMVLP-KRWDZBQOSA-N 301.434 2.521 0 50 DFAA CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CC=C(C)CC2)c1C 426497574 ZHWUOMNUGHQXMO-LBPRGKRZSA-N 303.406 2.832 0 50 DFAA CCOCC1(CNC(=O)c2ccc3c(c2)ncn3C)CCC1 97307228 DITLWJQZYIIQMW-UHFFFAOYSA-N 301.390 2.510 0 50 DFAA CCOc1ccc(OCc2nc([C@@H]3CCOC3)n(CC)n2)cc1 95521945 UTTDPQSQMYILLC-CYBMUJFWSA-N 317.389 2.780 0 50 DFAA COCCc1noc([C@@H]2CCC(=O)N(C3CCCCCC3)C2)n1 92020883 LJMSVEYVQOKGQQ-CYBMUJFWSA-N 321.421 2.687 0 50 DFAA CCCc1nc(C(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)cs1 244873108 WKDXSKIRXGOOFS-HAQNSBGRSA-N 319.434 2.601 0 50 DFAA Cc1cc(C)n([C@@H]2CCN(Cc3snnc3C(C)C)C2)n1 244794596 QPUGPVUZLKZLPJ-CYBMUJFWSA-N 305.451 2.922 0 50 DFAA O=C(CCC(F)(F)F)N1CCC(Oc2ccncc2)CC1 244887867 YPURJXZUTBTKRT-UHFFFAOYSA-N 302.296 2.794 0 50 DFAA COc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1F 299745313 XUZABFQSJAPLSL-GFCCVEGCSA-N 309.337 2.694 0 50 DFAA COc1nccnc1NC[C@H]1CCN(c2ccc(F)cc2)C1 534587205 DBBUKMNZHKPSDO-GFCCVEGCSA-N 302.353 2.563 0 50 DFAA COCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 534575973 UKEQXEOZSIKSOC-HNNXBMFYSA-N 310.825 2.630 0 50 DFAA CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(N)nc1 637939495 JYMCSNLTELADEG-UHFFFAOYSA-N 319.792 2.858 0 50 DFAA CCCCn1nc(CC(N)=O)nc1C1=Cc2ccccc2OC=C1 822888842 LCEAADNYGCHVEH-UHFFFAOYSA-N 324.384 2.553 0 50 DFAA Cc1cccc(N2C[C@@H](NC3CSCCSC3)CC2=O)c1 584896079 CSGOSEUKDDPTDD-ZDUSSCGKSA-N 322.499 2.539 0 50 DFAA CN(C)CCCSc1nnc2c3ccccc3n(C)c2n1 670429245 JKILZMXPYSGXJE-UHFFFAOYSA-N 301.419 2.560 0 50 DFAA CN(C[C@@H](O)C1CC1)C(=O)c1ccc(F)c(OC(F)(F)F)c1 1875278386 VBVULBUISIBUJH-LLVKDONJSA-N 321.270 2.567 0 50 DFAA COC(=O)[C@@H](C)[C@@H](C)SCc1ccc2oc(=O)n(C)c2c1 1875272336 QGSYRAUQUJSIOH-VHSXEESVSA-N 309.387 2.562 0 50 DFAA COc1cc(Cl)c(CNC[C@H]2CCNC(=O)C2)c(Cl)c1 1875305918 MIFTWHQSKRYWRT-VIFPVBQESA-N 317.216 2.618 0 50 DFAA COC(=O)/C=C/CCNC(=O)C(C)(C)c1ccc(Cl)cc1 1875312321 ZNAQQWSCRZTQAM-GQCTYLIASA-N 309.793 2.853 0 50 DFAA NCC1(C(=O)Nc2ccc(Oc3ncccn3)cc2)CC2(CC2)C1 1875304847 XITLIBZTKYDJAU-UHFFFAOYSA-N 324.384 2.727 0 50 DFAA Clc1cc2c(N3CC[C@H](Nc4ccccn4)C3)[nH]cnc-2n1 1875366809 DBRVKMMSEWRRCC-JTQLQIEISA-N 314.780 2.649 0 50 DFAA O=C(Nc1nc2cccnc2s1)c1cc(-c2ccncc2)[nH]n1 1875340698 NLDDEHAIKXKNAW-UHFFFAOYSA-N 322.353 2.729 0 50 DFAA Cn1c(SCc2ccc(C(C)(C)C)cc2)nc(N)cc1=O 73167698 AJMIFZLEDTUBTN-UHFFFAOYSA-N 303.431 2.952 0 50 DFAA in-vitro CC(=O)N1CCCc2cc(NC(=O)c3ccc(CO)cc3)ccc21 667743793 RHGDSTVRFAWHJT-UHFFFAOYSA-N 324.380 2.730 0 50 DFAA COc1ccc(F)cc1CC(=O)NC[C@@H]1CCCO[C@H]1C(C)C 186669198 ZJLZUOZEQPMCHM-UGSOOPFHSA-N 323.408 2.944 0 50 DFAA O=c1[nH]c2ccccc2cc1CSC[C@H](O)C(F)(F)F 170608255 WZSSANGEACQLDA-NSHDSACASA-N 303.305 2.685 0 50 DFAA CN(c1nc(O)c2cnn(C)c2n1)[C@@H]1CCC[C@H]1c1ccccc1 413410959 DBPWGNONFOMMPN-DZGCQCFKSA-N 323.400 2.841 0 50 DFAA COC(CSc1nnc(-c2cccc(Cl)c2)n1C)OC 194556726 LPZFWWOFOCEHEX-UHFFFAOYSA-N 313.810 2.847 0 50 DFAA c1ccc(C[C@H](NCCCc2nn[nH]n2)C2CCCCC2)cc1 1506401741 NSOZGQXURAZJKG-KRWDZBQOSA-N 313.449 2.914 0 50 DFAA Cc1cc(C)cc(CC(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1 1529133727 FIRXUBHBXTYVBJ-RTBURBONSA-N 324.424 2.615 0 50 DFAA Cc1c(-c2ccccc2)noc1NC(=O)c1cn2cccnc2n1 1529196396 ZKMKQDYSPFNUHV-UHFFFAOYSA-N 319.324 2.945 0 50 DFAA CO[C@H](C)c1nnc(NC(=O)c2ccc(F)c(F)c2F)s1 1529101591 IKDSVQHEVAPIPI-RXMQYKEDSA-N 317.292 2.915 0 50 DFAA Cc1ccc(O[C@@H](C)C(=O)NCc2[nH]nc3ncccc23)cc1C 1772810663 NRNUQIYFPKAQQB-ZDUSSCGKSA-N 324.384 2.658 0 50 DFAA CCCCNC(=O)c1nnn(-c2ccc(OCC)cc2)c1C 11690217 GUEPFXMICDYEPY-UHFFFAOYSA-N 302.378 2.504 0 50 DFAA CC(C)(C)CN1CCC[C@@](O)(CNCC2CCCCC2)C1=O 12074157 QPYVDOZBGCCWCM-GOSISDBHSA-N 310.482 2.556 0 50 DFAA CC[C@@H](C(=O)Nc1ccc(F)cc1)n1c(C)cc(C)nc1=O 16626146 YKOYNOYPMHUXDB-AWEZNQCLSA-N 303.337 2.589 0 50 DFAA CC(=O)N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 19608753 NDHOQNJUYORTSQ-UHFFFAOYSA-N 306.409 2.922 0 50 DFAA C[C@H]1CN(C2CCN(Cc3cccc(F)c3)CC2)C[C@H](C)O1 19889908 LAZNVXWGHHPATP-GJZGRUSLSA-N 306.425 2.899 0 50 DFAA CC(=O)N1CCC[C@H](c2nnc(C=Cc3ccccn3)o2)[C@@H]1C 1857527222 KWSRXIAGXHNQLK-WFASDCNBSA-N 312.373 2.749 0 50 DFAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cnc2c(c1)CCCC2 1857671476 YIWRNTYSXVFKKG-WDYCEAGBSA-N 314.429 2.726 0 50 DFAA C[C@H](O)[C@H](NC[C@H](O)c1ccc(F)cc1)c1ccccc1F 843086838 JMKNOKXEBZBLIX-GOPGUHFVSA-N 307.340 2.710 0 50 DFAA CC(C)(NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1cn(-c2ccccc2)nn1 245854823 FGEHOCSVNHHPID-FOLVSLTJSA-N 310.401 2.665 0 50 DFAA COc1ccc(/C=C/CN2C[C@@H]3CC[C@H]2CN(C(C)=O)C3)cc1 247968676 XTKCSEKETDKPBW-ZFRRBFPSSA-N 314.429 2.651 0 50 DFAA Clc1ccc2cccnc2c1CN1CC[C@@H](n2cncn2)C1 681605384 YHZQNQSBGYIKQF-CYBMUJFWSA-N 313.792 2.927 0 50 DFAA O=C([C@@H]1CCC(F)(F)C1)N1CCC(Nc2cccnc2)CC1 373547548 KUMKIFCXLRJSNE-GFCCVEGCSA-N 309.360 2.920 0 50 DFAA CC(C)c1occc1C(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910619342 SJIGWMCKGPJODR-VMBJYNEYSA-N 321.373 2.545 0 50 DFAA O=C(O)c1cncc(C(=O)N2CCC(CC(F)(F)F)CC2)c1 911584250 OMVNSPIFZYBNDW-UHFFFAOYSA-N 316.279 2.584 0 50 DFAA Cn1ncc(CCC(=O)NC(C)(C)Cc2ccccc2Cl)n1 823089170 VPJFQKNZOFRFHX-UHFFFAOYSA-N 320.824 2.539 0 50 DFAA Cc1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)nn1C 767899813 OGZPBIHOPDHRMN-KRWDZBQOSA-N 324.469 2.758 0 50 DFAA O=C(N[C@@H]1CS/C(=C/c2ccccc2)[C@@H]1O)c1ccccc1 5092491 UZBLNGWIYWKEKG-OUVJUWQNSA-N 311.406 2.934 0 50 DFAA CNC(=O)c1cc(-c2ccc3ccn(CCN(C)C)c3c2)ccn1 2325802004 AKFVBTAFUNPYSM-UHFFFAOYSA-N 322.412 2.625 0 50 DFAA CCc1c[nH]c(C)cc1=NC(=O)NCc1ccc2c(c1)ncn2C 2325807696 MXJKLINSIGJFHE-UHFFFAOYSA-N 323.400 2.583 0 50 DFAA O=C(c1ccc2c(c1)NCCCN2)N1CC[C@H]2OCCC[C@H]2C1 2325812144 YKOSZTWKNHDDAE-WMLDXEAASA-N 315.417 2.555 0 50 DFAA O=C(C[C@H]1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1 52735 GPLYEGKLYDKKAN-SNVBAGLBSA-N 319.213 2.554 0 50 DFAA CCC(CC)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 461232 DFJWJGXIOIMTDE-UHFFFAOYSA-N 307.346 2.635 0 50 DFAA CCc1noc(CN2CCC3(CC2)OCCc2ccsc23)n1 2356161711 GLMGDPLCEYCSKP-UHFFFAOYSA-N 319.430 2.758 0 50 DFAA Cc1ccccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 4745086 JOZAIXAZWFUUGG-UHFFFAOYSA-N 316.426 2.506 0 50 DFAA O=S(=O)(NCc1ccccc1F)c1ccc(F)c(F)c1 6698883 VEBATDJNTRUELE-UHFFFAOYSA-N 301.289 2.582 0 50 DFAA Cc1ccc(C)c(NC(=O)CC(=O)N(C)C[C@@H]2CCCCO2)c1 55368974 VVEVBRVFVSGKLI-HNNXBMFYSA-N 318.417 2.660 0 50 DFAA O=c1c2c([nH]c3nncn13)-c1ccccc1CC21CCCCC1 100024612 LYGYAHPLISWVSG-UHFFFAOYSA-N 306.369 2.843 0 50 DFAA C[C@H](C(=O)NC1CCCCC1)N1CCN(c2ccccc2)CC1 55565648 BMKCFQCWJXHVRI-MRXNPFEDSA-N 315.461 2.646 0 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72473413 HRMASFHGMGIZEI-ZDUSSCGKSA-N 302.399 2.805 0 50 DFAA CCc1[nH]ccc1C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 367746897 PPFJZWOVGUIOPS-ZDUSSCGKSA-N 313.401 2.547 0 50 DFAA CCc1nnc(C)cc1C(=O)Nc1cccc(CCC(=O)O)c1 261608573 ARRPZLGEQKTNIH-UHFFFAOYSA-N 313.357 2.617 0 50 DFAA CCN(Cc1cc(OC)c2c(c1)OCO2)C[C@@H]1CCCCO1 216524245 LJNIQPIYQMQCKM-AWEZNQCLSA-N 307.390 2.815 0 50 DFAA COc1cc(Cl)ccc1CNC(=O)c1ccc(C(=O)O)o1 237175007 FHMGEQCHQLTRKI-UHFFFAOYSA-N 309.705 2.570 0 50 DFAA CN(CCCC(=O)O)C(=O)CCCc1nc2ccccc2s1 237257477 KSYCBHHDVRVBBM-UHFFFAOYSA-N 320.414 2.942 0 50 DFAA CC(C)c1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)on1 262190102 NGJOKFWTACFMJF-ZDUSSCGKSA-N 314.341 2.622 0 50 DFAA O=C(Cc1c[nH]c2ncccc12)N1CC[C@H](O)c2ccccc2C1 374796058 CCFVABBZVYYRHG-KRWDZBQOSA-N 321.380 2.571 0 50 DFAA Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccnc(C(=O)O)c1 450541373 DCMKWCANRZBDJV-CYBMUJFWSA-N 312.369 2.791 0 50 DFAA C[C@H](OCC(=O)N1Cc2cccc(Cl)c2C1)c1nccn1C 376305014 XVKNROUPZUHBRQ-NSHDSACASA-N 319.792 2.694 0 50 DFAA 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Cc1ccc(CNc2cc(C)c(S(N)(=O)=O)cc2C)c(C)n1 1875280052 RLDDTWCFSXEQHF-UHFFFAOYSA-N 319.430 2.575 0 50 DFAA CNC(=O)c1cc(C2CC2)nc2c1cnn2Cc1ccccc1 1875252481 AQHCSJBOJPECBW-UHFFFAOYSA-N 306.369 2.717 0 50 DFAA CCS(=O)(=O)/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 1875381984 MYHUUFSISMSQJJ-VOTSOKGWSA-N 307.293 2.592 0 50 DFAA COc1ccc(CNC(=O)/C=C/CN(C)C)c2sccc12 1875377067 REDHJHHKUGJSHY-SNAWJCMRSA-N 304.415 2.644 0 50 DFAA COc1cccc2c1O[C@H](C(=O)N1CC(Cc3ccccc3)C1)C2 1875329296 PCOXYFMBTFIEGO-SFHVURJKSA-N 323.392 2.700 0 50 DFAA CCn1ncnc1CNC1(CN2CCCCC2)CCCCC1 952986227 KDKRNJJEBLMIBC-UHFFFAOYSA-N 305.470 2.576 0 50 DFAA COc1ccc(CN2CCc3c(CC(N)=O)cccc3C2)c(C)c1 895744775 HZGWOCGCNWLLJS-UHFFFAOYSA-N 324.424 2.590 0 50 DFAA CCc1ncnc(N2CCC[C@H]2C[C@@H](O)c2ccco2)c1F 271108819 PHBYWMGPADEIJP-WCQYABFASA-N 305.353 2.864 0 50 DFAA C[C@H](Cc1cccs1)C(=O)Nc1nc(CC(=O)O)cs1 170043351 SQXVALBRYGWELC-MRVPVSSYSA-N 310.400 2.649 0 50 DFAA O=C(Cc1cccc(O)c1F)N1CCO[C@@H](c2ccccc2)C1 170082030 SESJNGMBBHDBAA-MRXNPFEDSA-N 315.344 2.674 0 50 DFAA CC(C)[C@@H](CN[C@@H]1CCCOCC1)ONC(=O)OC(C)(C)C 398810247 WMAZOKNOAHGKKS-ZIAGYGMSSA-N 316.442 2.626 0 50 DFAA Cn1nncc1CNc1ncc(Cc2ccc(F)cc2F)s1 170594976 WJBNUXIQYJQHGF-UHFFFAOYSA-N 321.356 2.753 0 50 DFAA O=C(c1cc(C2CC2)no1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 281713446 AZRLJZWNXOMNJO-ZFWWWQNUSA-N 316.332 2.639 0 50 DFAA COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 282032196 LNVRGLXGERVUTO-KSZLIROESA-N 317.429 2.780 0 50 DFAA Cc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)nc(C)n1 408198535 NGQBZOCCHCKSTE-UHFFFAOYSA-N 301.312 2.944 0 50 DFAA Cc1c(C(=O)Nc2cccc(C(=O)O)c2)cnn1CC(C)C 190875444 DYGJESFXRINFAH-UHFFFAOYSA-N 301.346 2.798 0 50 DFAA CC(C)CC[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cnn(C)c2)C1=O 191346511 QNUJNDAWSXACRU-USXIJHARSA-N 318.465 2.720 0 50 DFAA CSCc1cccnc1C(=O)NC[C@@H]1C[C@H]1c1cccnc1 597615595 GRKFREOVMRLBNG-GJZGRUSLSA-N 313.426 2.873 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccc(O)c(F)c1)C2 1704338990 MHKGPWXDPAAZHY-WBVHZDCISA-N 307.365 2.953 0 50 DFAA O[C@H](CSc1nnc(-c2cccs2)[nH]1)CC(F)(F)F 225545701 FOGNOHYHCKABNY-LURJTMIESA-N 309.338 2.939 0 50 DFAA O=Cc1c(-c2ccc(Br)cc2)nc2ncccn12 2533992 NXJFHZOLRHNMMM-UHFFFAOYSA-N 302.131 2.971 0 50 DFAA in-vitro C[C@H](Oc1ccc(F)cc1)C(=O)N1CC(=O)Nc2ccccc21 12380340 GIBJNDJIACJZEA-NSHDSACASA-N 314.316 2.578 0 50 DFAA CCN(c1ccc(C(=O)Nc2ccccc2)cc1)S(C)(=O)=O 13678973 YQJBJECZXYTYGP-UHFFFAOYSA-N 318.398 2.725 0 50 DFAA CSc1cccc(NC(=O)CNC(=O)c2ccccc2F)c1 16598457 VPLVPNBQCZBDFK-UHFFFAOYSA-N 318.373 2.916 0 50 DFAA Cc1ccc2oc(CN3C[C@@H]4CCOC[C@]4(CO)C3)c(C)c2c1 1857668826 CGNYRGAQGFHLKK-HNAYVOBHSA-N 315.413 2.880 0 50 DFAA Cc1cccc(NC(=O)N2CCN(c3nc(C)cs3)CC2)n1 124597770 JYVPBGZXGZCJNJ-UHFFFAOYSA-N 317.418 2.509 0 50 DFAA CNC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 237077988 YEEWXNVNGNHHEZ-GFCCVEGCSA-N 310.825 2.626 0 50 DFAA O=C(O)[C@H]1CC[C@@H](C(=O)NC2(c3cc(F)ccc3F)CC2)C1 247402294 NRPUGIXDSVWDBF-ZJUUUORDSA-N 309.312 2.571 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1c1ccc(Cl)cc1 263061292 HTGOHKZITLLPSL-UONOGXRCSA-N 319.744 2.873 0 50 DFAA CCOc1ccc(S(=O)(=O)[C@H](C)c2snnc2C)cc1 901546167 CSMHGWPAGKHNHB-SNVBAGLBSA-N 312.416 2.780 0 50 DFAA C[C@@H](NC(=O)c1ccc(NC[C@@H]2CC=CCC2)cc1)C(=O)O 901717528 YXWFGTRWYCNRGB-CHWSQXEVSA-N 302.374 2.658 0 50 DFAA C[C@]1(O)CCOC2(CCN(CCCOc3ccccc3)CC2)C1 1704327968 VSBMANJQTWCVPG-SFHVURJKSA-N 319.445 2.852 0 50 DFAA C[C@@]1(C(=O)Nc2cccc3c2ccn3C(F)F)CCNC(=O)C1 906020999 AZTHUQMRYUAEJY-MRXNPFEDSA-N 321.327 2.891 0 50 DFAA CS[C@H](C)CCC(=O)N[C@@H](C)c1noc(C(F)(F)F)n1 910763282 YQKPKYFXKKORNS-RQJHMYQMSA-N 311.329 2.797 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)CCOCc2ccccc2)C1 262097485 BVIALBQUGCRSAW-OAHLLOKOSA-N 319.401 2.697 0 50 DFAA O=C(Nc1nnc(-c2ccc3c(c2)OCO3)s1)c1ccco1 8770165 NBHRCKNWPJPXLS-UHFFFAOYSA-N 315.310 2.779 0 50 DFAA OCc1ccc(C2CCN(Cc3cccc4ncnn34)CC2)cc1 2325771688 GILKRWPZCUEWHF-UHFFFAOYSA-N 322.412 2.601 0 50 DFAA Cn1cc(CN(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)cn1 2325781189 VTGBCROMGPAEIY-UHFFFAOYSA-N 322.368 2.880 0 50 DFAA N=c1[nH]c2c(c(=NCc3coc4ccc(F)cc34)[nH]1)CCCC2 2325856827 DSTHPEKAWKTECG-UHFFFAOYSA-N 312.348 2.687 0 50 DFAA Cc1c(C(=O)Nc2ccc3[nH]c(C(N)=O)cc3c2)noc1C1CC1 2325868568 BKLZVKCVPRNXDD-UHFFFAOYSA-N 324.340 2.693 0 50 DFAA CO[C@H]1C[C@@H](C(=O)Nc2ccc3cccc(Cl)c3n2)N(C)C1 886040524 AVXOFDLKWWQWIU-AAEUAGOBSA-N 319.792 2.546 0 50 DFAA Cc1cccc2c1CCN2C(=O)c1cccc(-n2ccnn2)c1 124521939 QZRPNEQWTPMRAI-UHFFFAOYSA-N 304.353 2.779 0 50 DFAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1 150770 DXIKPLIZDQJDKL-OAHLLOKOSA-N 311.381 2.980 0 50 DFAA Nc1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 415372 ODVUXUYQAPHKMZ-UHFFFAOYSA-N 302.355 2.728 0 50 DFAA COc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 456857 CPXQNKKITWMCDP-UHFFFAOYSA-N 300.383 2.751 0 50 DFAA O=C1CN(C(=O)COc2ccccc2Cl)c2ccccc2N1 3602866 BLWZTRGZPZOPMT-UHFFFAOYSA-N 316.744 2.704 0 50 DFAA CCc1ccc(CN(CCOC)C(=O)Cc2ccncc2)cc1 55370990 QTZFKRSIUQOHIG-UHFFFAOYSA-N 312.413 2.862 0 50 DFAA C[C@H](C(=O)Nc1cnc2n1CCCC2)n1cnc2ccccc21 67789509 NYJIYDBGSFDJBU-GFCCVEGCSA-N 309.373 2.769 0 50 DFAA CCN(CC)CCNCc1cccc(Oc2ncccn2)c1 22937307 PHPXZIREDZXRHG-UHFFFAOYSA-N 300.406 2.700 0 50 DFAA CN1CCN(CCCOc2cccc(C(F)(F)F)c2)CC1 20653412 PBSUMNNHIVCRKZ-UHFFFAOYSA-N 302.340 2.722 0 50 DFAA O=C(c1ccc(OCC2CCNCC2)cc1)N1CCCCC1 66323489 BFRGAWOBDOBBTL-UHFFFAOYSA-N 302.418 2.691 0 50 DFAA Cc1c(Br)c(C(=O)NC2CCC(C)CC2)nn1C 2781085 KNFNZWZFIXSGFP-UHFFFAOYSA-N 314.227 2.800 0 50 DFAA Cc1nccc(NC(=O)Cn2cc(-c3ccccc3)c(C)n2)n1 435865536 BPMBULJIJHPKPP-UHFFFAOYSA-N 307.357 2.596 0 50 DFAA C[C@@H](C1CCN(Cc2cccc(F)c2)CC1)N1CCN(C)CC1 77391400 AIQHOHTWWVWKSD-INIZCTEOSA-N 319.468 2.674 0 50 DFAA CCCN(C(=O)[C@H]1CCOC1)[C@H](C)CC(=O)Nc1ccccc1 240871482 IKWMVEMKSLMWCR-CABCVRRESA-N 318.417 2.679 0 50 DFAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cccnc1O 72158604 DMQDCUPGHPPNEX-OAHLLOKOSA-N 317.433 2.562 0 50 DFAA C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1nncn1C1CCCC1 222982008 HMVZMYVNGORLOB-LLVKDONJSA-N 324.388 2.761 0 50 DFAA Cc1cccc(C[C@H](C)NC(=O)CCN2CCCCCC2)n1 426656827 BYLXLXPIHQHNHN-INIZCTEOSA-N 303.450 2.703 0 50 DFAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ncc(F)cc1F 223109398 UZUVOGDDOYSCEO-GFCCVEGCSA-N 307.300 2.942 0 50 DFAA Cc1cc(=O)c(C(=O)N[C@H](CC(C)C)c2cccnc2)c(C)[nH]1 426498429 HBTFLIZGKZZJCX-OAHLLOKOSA-N 313.401 2.904 0 50 DFAA O=C(CC(c1ccccc1)c1ccccc1)NCCc1cnn[nH]1 426406323 QRVMWQSYDGCLCT-UHFFFAOYSA-N 320.396 2.686 0 50 DFAA COc1ccc(CCCC(=O)N2CCC[C@@H](C)[C@@H]2CN)cc1 237199207 VKVBYAGWOYTHGN-PBHICJAKSA-N 304.434 2.604 0 50 DFAA COc1ccc(OC)c([C@@H]2CCN(c3nc(CO)cs3)C2)c1 95508787 MRRNEVOOLNUAAB-LLVKDONJSA-N 320.414 2.647 0 50 DFAA CCc1cnc(N2CCC(c3nc(C(C)C)no3)CC2)nc1 95352129 DURMKWRPLCMZPF-UHFFFAOYSA-N 301.394 2.929 0 50 DFAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1nc(-c2cccs2)no1 296133029 JEIIVKCTGNKGMT-WQAKAFBOSA-N 305.403 2.701 0 50 DFAA COc1cc(OC)cc(-c2cc(C(=O)NC(C)C)ccn2)c1 97522171 GMZQPBXAJWHTQR-UHFFFAOYSA-N 300.358 2.904 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1 263471313 XXSXRYIKXMPDJQ-UHFFFAOYSA-N 324.380 2.875 0 50 DFAA O=C(O)Cc1cc(F)cc(Br)c1Br 263623386 GZGUIUJWHFUNRD-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA CCOC(=O)Cc1cc(Br)cnc1Br 263623334 GPXJMBWBGPOOEF-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA Cc1ccc(C)c(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c1 379274765 NZNCEWDWNNQYEJ-AAEUAGOBSA-N 300.324 2.798 0 50 DFAA COCC1(CNC(=O)c2nn(C)c3ccccc23)CCCC1 299759407 ROMUPEVUBQPMRF-UHFFFAOYSA-N 301.390 2.510 0 50 DFAA CCn1cc(-c2cccc(C(=O)N3CCC[C@H]3COC)c2)cn1 299786791 NQVGDMWYTSPWEO-KRWDZBQOSA-N 313.401 2.821 0 50 DFAA CC(C)(C)CC1(NC(=O)NC[C@H](O)c2ccc(O)cc2)CC1 584904224 RVZQASKKOMKEQT-AWEZNQCLSA-N 306.406 2.694 0 50 DFAA CN(CC(C)(C)CNC(=O)c1ccoc1)c1cncc(Cl)n1 1875303401 SZULTXJBROBBLT-UHFFFAOYSA-N 322.796 2.615 0 50 DFAA N=c1[nH]c2c(c(=NCc3cccc(C(F)(F)F)c3)[nH]1)CCCC2 1875290021 HFCMGKPAVULDGI-UHFFFAOYSA-N 322.334 2.821 0 50 DFAA Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 1875271572 ZWHFAWYYXQMJLI-ZFWWWQNUSA-N 315.392 2.961 0 50 DFAA Cc1onc(C2CC2)c1C(=O)N1CCC(c2cnc[nH]2)CC1 1775988336 PSQWZZIZYVWQGY-UHFFFAOYSA-N 300.362 2.603 0 50 DFAA CCOc1cccc(CN(CCO)C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)c1 1565526089 ZVEJNRZYKUKOKE-LESCRADOSA-N 315.413 2.618 0 50 DFAA C[C@@H](Nc1ccc2c(n1)CCC2=O)c1ccc2nc(O)[nH]c2c1 673427571 RBMUOSQWQVIMLW-SECBINFHSA-N 308.341 2.966 0 50 DFAA Cc1ncsc1CN(C)C[C@@H]1CCN(Cc2ccn(C)c2)C1 275727112 OSMWPJQSCPFKON-INIZCTEOSA-N 318.490 2.744 0 50 DFAA CC(C)(C)OC(=O)Cn1nc(-c2c(F)cccc2F)ccc1=O 600601298 QBARMZLGBTXESR-UHFFFAOYSA-N 322.311 2.530 0 50 DFAA Cn1ccc2cccc(NC(=O)N[C@@H]3c4ccccc4C[C@H]3O)c21 190092503 YQONQLMAADQRGK-IAGOWNOFSA-N 321.380 2.958 0 50 DFAA COC(=O)[C@H](N[C@H](C)c1ccccn1)c1ccc2c(c1)CCO2 191179924 JPHQVHWGIBLDBZ-SJKOYZFVSA-N 312.369 2.581 0 50 DFAA C[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H](c2ccccc2)O1 646756428 RDKCHQIRQGEEPN-CJNGLKHVSA-N 300.358 2.596 0 50 DFAA CSC[C@@H](CCO)N[C@H](C)c1ccc(Br)o1 192891409 LDDVQQILGSFGIX-RKDXNWHRSA-N 308.241 2.807 0 50 DFAA CN(CCc1ccccc1C(=O)O)Cc1nc2ccccc2n1C 652413316 OCRIXEISOCZUFH-UHFFFAOYSA-N 323.396 2.946 0 50 DFAA NC(=O)c1ccc(CCc2nc([C@@H]3CCC[C@@H]4C[C@H]43)no2)cc1 656050706 GDYDOJFLUYIEQA-RBSFLKMASA-N 311.385 2.857 0 50 DFAA COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)CN2 723728743 UXCGKNLOYFIERD-CYBMUJFWSA-N 320.389 2.725 0 50 DFAA COCCOC1CCN(c2nnc(C)c3ccccc23)CC1 1506398109 VUNMECLZFYMITH-UHFFFAOYSA-N 301.390 2.570 0 50 DFAA Cc1cncc(C(=O)N2CC[C@H](c3sccc3C)[C@@H](O)C2)c1 210074116 MNAFDLOEWJSEAU-GJZGRUSLSA-N 316.426 2.751 0 50 DFAA O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@@H](C2(O)CC2)C1 1772818219 ANXCMNGXLCVQDP-LLVKDONJSA-N 317.414 2.515 0 50 DFAA O=C(C1CCC1)N1CCCN([C@@H]2CCc3ccccc3C2)CC1 1772806300 CBTDCSMQBVDVSD-LJQANCHMSA-N 312.457 2.878 0 50 DFAA CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)N1CCN(CC)CC1 13326581 HTNIFMSWLZIPGX-OAHLLOKOSA-N 324.852 2.970 0 50 DFAA Cc1cccc(CN2CCO[C@@H](Cc3ccc(F)cc3)C2)n1 19744786 CFWNFTLPVYXQSQ-SFHVURJKSA-N 300.377 2.973 0 50 DFAA CC(C)C(NC(=O)c1ccc(CN2CCOCC2)cc1)C(C)C 19812789 YHJPXBGKIUVQKX-UHFFFAOYSA-N 318.461 2.929 0 50 DFAA C[C@H](C(=O)NCc1cccc(OCC(=O)O)c1)c1cccs1 237436826 NSGYGVLZLQTGIG-NSHDSACASA-N 319.382 2.631 0 50 DFAA Cc1ccccc1[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)CO)C1 458746595 YHHBCWQYWNDSRA-SHTZXODSSA-N 304.434 2.901 0 50 DFAA CCc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)NC[C@@H]2CCCO2)o1 265467810 OOGYPDORENBHRZ-BPUTZDHNSA-N 320.433 2.663 0 50 DFAA CCC[C@H](CNC(=O)C12CCC(C(=O)O)(CC1)CC2)OCC 910189535 AIVYZXMTLUMKIQ-NVPAJSRCSA-N 311.422 2.733 0 50 DFAA Cc1ccncc1[C@H](C)NC[C@@H]1CCCO[C@H]1c1nccn1C 858008723 WFRPVLNSLKTRMG-YQQAZPJKSA-N 314.433 2.942 0 50 DFAA Cc1cc(C)c2c(=NC(=O)c3oc(C)nc3C)[nH]sc2n1 2100483564 DUZOHUYPAZIHES-UHFFFAOYSA-N 302.359 2.587 0 50 DFAA C[C@H](NC(=O)Nc1cnn2cccnc12)c1c(F)cccc1F 2325818794 ZNVABPJHWHPIOA-VIFPVBQESA-N 317.299 2.890 0 50 DFAA CSCCc1nc([C@H]2C[C@H](N(C)C)C2)n(-c2ccccc2)n1 2325849252 JMGXVUIUUPEDAK-CTYIDZIISA-N 316.474 2.980 0 50 DFAA O=C(NCCc1ncc[nH]1)c1nc2ccccc2cc1C1CC1 906640834 VQMKCBQGVLGRTC-UHFFFAOYSA-N 306.369 2.808 0 50 DFAA Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 208066 XFLJQDBWONFXOE-UHFFFAOYSA-N 322.408 2.902 0 50 DFAA CC(=O)Oc1cccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 469087 AOGSLLJXHOPKLN-ZIAGYGMSSA-N 319.744 2.634 0 50 DFAA CC(C)C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 557387 IPZPLIVDNFAXAM-UHFFFAOYSA-N 317.433 2.586 0 50 DFAA CCN1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 4278138 MNZOYOIUZVPTBY-UHFFFAOYSA-N 301.312 2.875 0 50 DFAA COc1ccc(Cl)cc1NC(=O)C(=O)NC1CCC(C)CC1 4857409 TXJOHXHCGLUAKP-UHFFFAOYSA-N 324.808 2.982 0 50 DFAA COC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1 4866315 LLXVNXPIULVQEO-UHFFFAOYSA-N 321.336 2.911 0 50 DFAA COC(=O)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(C)C 4954667 CDYGUFUCPBNAGV-IEKYFPHUSA-N 307.434 2.907 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)c(C)c1 6352377 YJXJESJVGNCAOH-UHFFFAOYSA-N 317.366 2.775 0 50 DFAA O=C(Cc1ccccc1)N1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 100641726 FIOPMBNBJLVGJI-FHWLQOOXSA-N 310.441 2.586 0 50 DFAA CN1CCC(Cc2nc(Cc3c(F)cccc3F)no2)CC1 345925479 OMNKOYRNRDATNS-UHFFFAOYSA-N 307.344 2.823 0 50 DFAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 249685101 FGLNUNLFBWTTJV-MLHJIOFPSA-N 313.445 2.660 0 50 DFAA O=C(C[C@H]1CCCNCC1)N1CCC(c2ccncc2)CC1 423712407 OHVUVGFSIZRKIM-HNNXBMFYSA-N 301.434 2.567 0 50 DFAA O[C@H](COC[C@H]1CCCO1)CN1CCC[C@@H]1c1cccc(F)c1 229506923 UVFUTHHQAXNHRV-RCCFBDPRSA-N 323.408 2.519 0 50 DFAA CSc1ccc(CN2CCN(c3ncccn3)CC2)cc1 22591579 XBJBWJURNAGLEG-UHFFFAOYSA-N 300.431 2.521 0 50 DFAA CC(C)c1cc(CN2CCC[C@H](CNC(=O)C3CCC3)C2)on1 67881867 IXLDVCMUHIFVCO-CQSZACIVSA-N 319.449 2.926 0 50 DFAA CCc1nn(C)c(NC(=O)COc2ccccc2OC)c1CC 1506405840 XFOQYJSUSITDFI-UHFFFAOYSA-N 317.389 2.571 0 50 DFAA O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 655 FSVJFNAIGNNGKK-KRWDZBQOSA-N 312.413 2.535 0 50 DFAA biogenic,fda CCn1cc(C2CCN(C(=O)c3ccc(F)cc3O)CC2)cn1 123878597 HJOBLHZHYZQURF-UHFFFAOYSA-N 317.364 2.768 0 50 DFAA CCOC(=O)[C@H](C)Sc1nc(-c2ccccn2)ncc1OC 1381792 UVIKNMFADQPIFM-JTQLQIEISA-N 319.386 2.591 0 50 DFAA CC(C)C[C@@H](C(=O)O)N1C(=O)c2cccc3cccc(c23)C1=O 4294109 QCTRFEAQMSEZIE-AWEZNQCLSA-N 311.337 2.935 0 50 DFAA biogenic,in-vitro COc1cccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1OC 71757091 FEGPSOVZMZOURB-CUFDPUGPSA-N 301.386 2.822 0 50 DFAA Cc1ccoc1C(=O)N1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 71750107 GMSPDENKOJYEFH-OAHLLOKOSA-N 318.417 2.697 0 50 DFAA CC[C@@H](CC(=O)NCc1ccc(-n2ccnc2)nc1)C(C)C 363484201 TWTVORFOEBFRJL-HNNXBMFYSA-N 300.406 2.956 0 50 DFAA CC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)OC 154865090 XCMNDLIRNAOFEK-SNVBAGLBSA-N 307.243 2.526 0 50 DFAA COc1ccc([C@@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237338153 FTBZUQRSAMRFKZ-ZIAGYGMSSA-N 319.401 2.902 0 50 DFAA Cc1nc(-c2ccccc2)sc1C(=O)N1CC[C@H](C(=O)O)C1 237709414 APPXPNYYAKWZRN-LBPRGKRZSA-N 316.382 2.665 0 50 DFAA O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C[C@H]2CCCO2)C1 239654492 BOAIBHABMLPJFK-KFWWJZLASA-N 315.335 2.992 0 50 DFAA COc1ccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 32913003 SMPQPWNIIJSOMN-UHFFFAOYSA-N 321.380 2.870 0 50 DFAA C[C@@H]1CC[C@H](C(=O)N2CCn3cccc3[C@H]2c2ccccc2)O1 240278368 DQSHVKQIBVLGTI-ZTFGCOKTSA-N 310.397 2.987 0 50 DFAA CCn1cc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)cn1 72432910 BIDZTSIHDCKDQY-GOSISDBHSA-N 311.429 2.927 0 50 DFAA C[C@@H]1C[C@H](C(=O)O)CN(c2nnc(-c3ccccc3)s2)C1 263208400 NDQQWZBMKUHXIB-PWSUYJOCSA-N 303.387 2.752 0 50 DFAA C[C@H](NC(=O)c1cc(C2CC2)n(C)n1)c1ccc(Cl)cn1 338910438 LQAYHXYTEHWHQF-VIFPVBQESA-N 304.781 2.837 0 50 DFAA CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1 77523328 CEVZYIDBNQLIQJ-CYBMUJFWSA-N 300.406 2.986 0 50 DFAA O=C(N[C@H](CO)c1ccccc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 245552039 QBNQOMCVOUOEIV-JJRVBVJISA-N 317.335 2.918 0 50 DFAA CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1C 246257973 YYUMUQXDEXYLCP-APHBMKBZSA-N 316.401 2.522 0 50 DFAA CCc1ccnc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 263438579 PEXAXALLUBWXKR-CFVMTHIKSA-N 302.374 2.502 0 50 DFAA O=C(Cc1noc2ccccc12)N1CCO[C@@H](c2ccco2)C1 176727127 PFENXMUKRZLGRE-MRXNPFEDSA-N 312.325 2.563 0 50 DFAA CCC1(O)CN(C(=O)c2csc(-c3ccccc3C)n2)C1 289540152 FJOWDQLDFMBJPA-UHFFFAOYSA-N 302.399 2.715 0 50 DFAA COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@@]1(C)C(=O)O 222458072 VXSRLPNDCPCUTJ-PMOCNGQXSA-N 301.342 2.547 0 50 DFAA CCCN(CCOC)C(=O)c1ccc(-c2cncn2C)cc1 426445686 VTVUEZJJONIBAL-UHFFFAOYSA-N 301.390 2.586 0 50 DFAA CCN1CCCC[C@@H]1C(=O)NCCCN(C)c1ccccc1 97575012 BDGKUFXBQNCFOG-QGZVFWFLSA-N 303.450 2.504 0 50 DFAA CC[C@H](NC(=O)c1c(Cl)c(C)nn1C)c1ccc(C)cn1 426597241 OPTLWZRABHTHAX-NSHDSACASA-N 306.797 2.966 0 50 DFAA Nc1cc(Br)c(F)cc1I 146536962 IWYBXVJNKBUYLA-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA CCCn1cc(C(=O)N[C@H](C)c2c(C)nn(CC)c2C)c(C)n1 91575492 ZGZNTTMKELYUKV-GFCCVEGCSA-N 317.437 2.926 0 50 DFAA Cc1cc(C)c2[nH]c(CNC[C@H](O)c3ccco3)cc(=O)c2c1 91847522 RKSJSYVNIUKPIC-INIZCTEOSA-N 312.369 2.561 0 50 DFAA COc1ccccc1-c1cc(-c2nc([C@@H]3CCOC3)no2)[nH]n1 96139589 LWTFUYKBLXDCMP-SNVBAGLBSA-N 312.329 2.639 0 50 DFAA O=C(NCCn1ccc2ccccc21)c1nc2ccccn2c1F 97574976 WCSFWHATPYXCPY-UHFFFAOYSA-N 322.343 2.858 0 50 DFAA Cc1cccc(C)c1OC1CN(C(=O)[C@@H](O)c2ccccc2)C1 95375573 FALYOPIODXESMW-KRWDZBQOSA-N 311.381 2.627 0 50 DFAA c1ccc2c(c1)CC[C@H](N1CCN(Cc3nccs3)CC1)C2 244758100 OSJJWDLIBUTDHM-KRWDZBQOSA-N 313.470 2.818 0 50 DFAA C[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1ccccc1-n1cccn1 244647113 GVKIGUSCSQGSHL-KFWWJZLASA-N 313.401 2.601 0 50 DFAA Cc1cc(F)cc(NC(=O)N2CCOCC3(CCOCC3)C2)c1 183922038 ZHFVFKLXFNHELZ-UHFFFAOYSA-N 322.380 2.795 0 50 DFAA O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@H]1Cn1ccnn1 299746555 YDGVEMMDMCOOBU-VQRJYJFOSA-N 314.364 2.512 0 50 DFAA CCCN(CC(=O)O)[C@H](C)c1nc(Cc2ccccc2)no1 184927957 ONUOIJZWLSLGGX-GFCCVEGCSA-N 303.362 2.518 0 50 DFAA Cc1nccn1CCC(=O)N[C@H](C)c1nc2c(s1)CCCC2 534641439 VGGLKWMATLQNJM-LLVKDONJSA-N 318.446 2.794 0 50 DFAA O=C(CCCn1cccn1)NCCCc1nc2ccccc2o1 534581034 GMBLDKSFVMPNLU-UHFFFAOYSA-N 312.373 2.554 0 50 DFAA CC(C)CSc1nnc(NC(=O)Cc2ccccn2)s1 1940195925 WICDLRLLJOJAGX-UHFFFAOYSA-N 308.432 2.862 0 50 DFAA CCn1ccnc1CN(C)C(=O)Nc1cc(OC)cc(OC)c1 299788793 XLKQHZQPBJKAEO-UHFFFAOYSA-N 318.377 2.584 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1COC2(CCCCC2)C1 299771538 QKJSYFVVBMMVAP-HNNXBMFYSA-N 319.449 2.578 0 50 DFAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cccnc1SC 952967404 HVHRQLDTRXWGDM-AWEZNQCLSA-N 317.414 2.658 0 50 DFAA Cc1nc([C@@H](C)N2CCC(c3nc(C4CCC4)no3)CC2)no1 879553438 MMHNYTHCTLRMBV-SNVBAGLBSA-N 317.393 2.969 0 50 DFAA CCc1nc(CCCN)n(-c2ccc(OC(F)(F)F)cc2)n1 952985906 UAOYSYFKKUEILN-UHFFFAOYSA-N 314.311 2.620 0 50 DFAA Cc1nc[nH]c1CNCCCc1nc2ccc(Cl)cc2[nH]1 952981991 KVYDFPSVHWJIAK-UHFFFAOYSA-N 303.797 2.970 0 50 DFAA COc1ccnc(CN2CCc3c(C)cccc3[C@@H]2C(=O)O)c1 1777389324 JMSJYMNFRLJEFT-QGZVFWFLSA-N 312.369 2.583 0 50 DFAA CC[C@H](C(=O)O)[S@@](=O)Cc1coc(-c2ccccc2F)n1 600880597 QSGPSFPLQQRLSY-GTJPDFRWSA-N 311.334 2.593 0 50 DFAA CN1CCC[C@H](CN(C)C(=O)c2cnc(-c3ccco3)s2)C1 172232075 SQTIBZAHWQBSRG-LBPRGKRZSA-N 319.430 2.817 0 50 DFAA Cc1cccc(C[C@H](CO)NC(=O)[C@@H]2CCCC(F)(F)C2)c1 282042371 LCGCAMNXTVPTNG-HUUCEWRRSA-N 311.372 2.840 0 50 DFAA CC[C@@H]1[C@H](C)CCN1S(=O)(=O)CCc1noc2ccccc12 585115755 RCDWBMKKUXIBMN-IUODEOHRSA-N 322.430 2.821 0 50 DFAA CC(C)C1=NN(c2nnc(-c3ccccn3)s2)C(=O)CC1 634623680 MEUAHHWAWJSUKE-UHFFFAOYSA-N 301.375 2.739 0 50 DFAA Cn1cc([C@H](NCc2cscn2)c2ccc(F)cc2)cn1 187518840 XNKJGRGZPMDLMT-OAHLLOKOSA-N 302.378 2.895 0 50 DFAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1nc(C2CC2)nn1C 648289533 RGCDEANJSIMNMR-CJNGLKHVSA-N 324.428 2.640 0 50 DFAA O[C@H](CN1CCC(c2ncc[nH]2)CC1)c1cccc(Cl)c1 745985044 ZMMLVNQWPSSGNR-OAHLLOKOSA-N 305.809 2.976 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)CCC2CCOCC2)c2ccccc21 669435006 QNHMVQAFMJIUIK-OAHLLOKOSA-N 317.385 2.798 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H](C2CC2)O1 1529113398 YFJNQPGLLKQALW-GDBMZVCRSA-N 303.406 2.595 0 50 DFAA CC(C)Oc1cccc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1 1800416089 WBIOSYQHFHLYBF-HOCLYGCPSA-N 302.418 2.669 0 50 DFAA NCCNC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 418292365 BXRRTTYJQICOLB-UHFFFAOYSA-N 316.232 2.841 0 50 DFAA O=C(NCc1nc2cc(F)ccc2o1)[C@]12C[C@H]1COC21CCC1 1615037247 ILOZJPNSDPPUDP-BTDLBPIBSA-N 316.332 2.542 0 50 DFAA CCCC[C@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H](C2CC2)O1 1616076073 YFJNQPGLLKQALW-HOCLYGCPSA-N 303.406 2.595 0 50 DFAA C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C1 1634473094 SHUGPXFWKBHHIR-GFCCVEGCSA-N 321.384 2.634 0 50 DFAA CSCC(=O)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12725808 RPOHVHHJYZSGKO-SFHVURJKSA-N 321.486 2.973 0 50 DFAA CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc2ccccc2c1 13631984 IDBCIMCVSMAAQB-IAGOWNOFSA-N 319.426 2.764 0 50 DFAA Cc1cc2ccccc2n1CC(=O)N[C@H](CC(C)C)C(=O)O 206415898 XQGAKLSFAFYLII-CQSZACIVSA-N 302.374 2.565 0 50 DFAA CN(CCn1cnc2ccccc21)C[C@H]1COc2ccccc2O1 1857690730 QJZYZJVQVOMBCC-HNNXBMFYSA-N 323.396 2.808 0 50 DFAA Cc1cc([C@@H]2CN(c3ncnc(N)c3Cl)CCO2)ccc1F 302823347 FOFYHIGHDDLWOU-LBPRGKRZSA-N 322.771 2.738 0 50 DFAA O=C(O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 227832611 DILPNHPACSSYSG-HBNTYKKESA-N 307.312 2.678 0 50 DFAA O=C(COC1CCCCC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337270901 BHZPQXXWZYZJLV-BBWFWOEESA-N 309.450 2.878 0 50 DFAA Cn1ccc([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3F)C2)n1 903631712 WNXBNLZIMAOTTO-CQSZACIVSA-N 317.364 2.637 0 50 DFAA Cc1cc(Cc2nc([C@]3(C)COc4ccccc4O3)no2)no1 904130933 RQKWGAGYHOGZNC-INIZCTEOSA-N 313.313 2.643 0 50 DFAA CN1C[C@H]2COC[C@@H]1CN(c1ccc3cc(Cl)ccc3n1)C2 1704326556 GUGJAQBSUABZHS-DOMZBBRYSA-N 317.820 2.655 0 50 DFAA O=C(Cc1cc2ccccc2c(O)n1)Nc1ccnn1CC1CC1 826982895 VDWRLHYSHFTNRO-UHFFFAOYSA-N 322.368 2.728 0 50 DFAA O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1cc(C(F)F)ncn1 827791260 NNKQRTFLHAGZEC-RISCZKNCSA-N 319.311 2.674 0 50 DFAA CCOC(=O)[C@H]1NN=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 52508 OGJZLTVZFUIVRC-RDJZCZTQSA-N 322.364 2.544 0 50 DFAA Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 4727608 OXUQSDZDKJBXBR-UHFFFAOYSA-N 323.345 2.706 0 50 DFAA Cc1cc(C)cc(C2(C(=O)N[C@@H](C)[C@H](C)C(=O)O)CCC2)c1 2325750382 VNZKLIPEFMOWOJ-KBPBESRZSA-N 303.402 2.951 0 50 DFAA CCCn1ccnc1CN1CCc2cc(C(=O)O)sc2C1 2325787809 YHZPDKBRFSXMRN-UHFFFAOYSA-N 305.403 2.611 0 50 DFAA Cn1nc(COc2ccccc2N2CCCC2=O)cc1Cl 2325788913 RPGQUTYAPQAYOT-UHFFFAOYSA-N 305.765 2.779 0 50 DFAA C[C@@H](NC(=O)C1CCCC1)c1nc(=Nc2ccccc2)[nH]o1 2325801331 CHCAXNMNSOOTEC-LLVKDONJSA-N 300.362 2.603 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCC3CCC3)CO2)C1 2325809746 FXXQJNLZWLPTTD-WMLDXEAASA-N 310.438 2.545 0 50 DFAA Cn1cc(CN2CCC[C@@H](n3cncn3)C2)c(C2CCCC2)n1 891942820 CPVQCTAZUPGETJ-MRXNPFEDSA-N 314.437 2.506 0 50 DFAA CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(C)c(C)[nH]1 896917437 XVILCVALLBQSAC-CQSZACIVSA-N 301.390 2.809 0 50 DFAA Cc1nn(C)c2ncc(CNC[C@@H]3COc4ccccc4C3)cc12 920761682 JAZVSFAXVCFCEX-OAHLLOKOSA-N 322.412 2.618 0 50 DFAA O=C(COc1ccc(Br)cc1)Nc1cccnc1 186114 TVYBCCJYLUIRBX-UHFFFAOYSA-N 307.147 2.862 0 50 DFAA CCCNC(=O)Nc1ccccc1I 6741425 WSODLNLGAXDRHZ-UHFFFAOYSA-N 304.131 2.823 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C)cc1 10301813 SMGAXEXMABAOAM-UHFFFAOYSA-N 309.362 2.621 0 50 DFAA O=C1C[C@H](C(=O)NCCN2CCc3ccccc32)c2ccccc21 67847388 ZRJVMSJEMSDKRV-KRWDZBQOSA-N 320.392 2.536 0 50 DFAA COC[C@H](NC(=O)c1cc2ccccc2s1)c1ccnn1C 67447317 KMIQWBIWONHINR-LBPRGKRZSA-N 315.398 2.752 0 50 DFAA CCCSc1ncc(CN[C@H](C)Cc2cc(C)n[nH]2)cn1 63870155 YKNDDACXCONVHB-LLVKDONJSA-N 305.451 2.731 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 252671259 OMNHOKXEPGCQOZ-MELADBBJSA-N 312.335 2.759 0 50 DFAA C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1C(=O)OC(C)(C)C 425038126 LJIZXCUZKZXWAP-OCCSQVGLSA-N 304.390 2.664 0 50 DFAA Cc1noc(C)c1[C@H]1CCCN1Cc1ncccc1C(=O)O 65393504 OHUCHBRUDZBRIY-CQSZACIVSA-N 301.346 2.722 0 50 DFAA CC[C@H](C)Oc1ccc(CNCCCc2nnn[nH]2)cc1Cl 63856121 LIESOEAKTZAAER-NSHDSACASA-N 323.828 2.753 0 50 DFAA CCOc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 1427084 FRCRQOZLBBYENH-UHFFFAOYSA-N 317.370 2.762 0 50 DFAA CCOC(=O)C(=CNc1ccc(F)cc1Cl)C(=O)OCC 3118801 BNPHDGWQMINSLD-UHFFFAOYSA-N 315.728 2.901 0 50 DFAA O=C(Nc1ccccc1Cl)c1cn(Cc2ccccn2)nn1 361435613 MACBSUYFPQLKHT-UHFFFAOYSA-N 313.748 2.627 0 50 DFAA Cc1cc(Br)cc(S(=O)(=O)N2CCCC2)c1 38536946 NWPCLECTVGVBLW-UHFFFAOYSA-N 304.209 2.542 0 50 DFAA in-vitro CCCN1CCC(N2CCN(c3ccccc3C)CC2)CC1 32540691 PEJHSBRFFHIWJI-UHFFFAOYSA-N 301.478 2.991 0 50 DFAA O=C(CN1CCCCCC1)N1CCO[C@H](c2ccc(F)cc2)C1 79796181 MHLZLXWZYODQSB-KRWDZBQOSA-N 320.408 2.602 0 50 DFAA O=C1CC[C@H](C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)n2cccc21 333260173 AWSXUSJYKRMVEJ-YCEFEEMOSA-N 320.392 2.850 0 50 DFAA CC(C)(Oc1ccc(F)cc1)C(=O)NC1CCC(C(=O)O)CC1 261805663 VFAPRAOKRWKLDM-UHFFFAOYSA-N 323.364 2.743 0 50 DFAA Cc1nnc(N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)o1 285214742 XGCDXIBUNNXJIN-CABZTGNLSA-N 313.279 2.709 0 50 DFAA CO[C@H](C(=O)N1CCC(c2ccncn2)CC1)c1ccccc1 217649150 YOZNWBYJNRCLSW-KRWDZBQOSA-N 311.385 2.570 0 50 DFAA Cn1ncc2c(N)nc(N3CCC[C@H]3/C=C/c3ccccc3)nc21 373049680 PUBOLTSCIAPAMF-HBWSCVEGSA-N 320.400 2.628 0 50 DFAA COc1cccc(NC(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 285766319 RTADFVOLNLAPKT-ZFWWWQNUSA-N 303.406 2.786 0 50 DFAA Cc1nc(CNC(C)(C)c2nnc3n2CCCC3)sc1C 451401140 DMTJAKOSLRYCKM-UHFFFAOYSA-N 305.451 2.713 0 50 DFAA C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@H]2CCCO2)C1 246783675 XFXJNUGPRONTJF-RRFJBIMHSA-N 312.454 2.791 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2cncn2-c2ccc(F)cc2)CCO1 178971329 NMLQSSXXECOFFA-ZDUSSCGKSA-N 317.364 2.699 0 50 DFAA N[C@H]1C[C@@H](c2cc(N3CC(c4ccncc4)C3)nc(C3CC3)n2)C1 223566356 DBWBDEFCSRQCMT-KOMQPUFPSA-N 321.428 2.558 0 50 DFAA O=C(c1ccc(F)cc1F)N1CCC[C@H](Cn2ccnc2)C1 223139082 VEFIDMAZQAGLFD-GFCCVEGCSA-N 305.328 2.714 0 50 DFAA O=C([C@H]1CCc2ccccc2O1)N1CC(Oc2ccccc2)C1 221419205 MAZWFEGABKJPDM-GOSISDBHSA-N 309.365 2.670 0 50 DFAA Cc1cc(CN(C)C(=O)N[C@@H](C)CCCC(C)(C)O)ccn1 426442822 CGUUTIJPNGETNQ-ZDUSSCGKSA-N 307.438 2.861 0 50 DFAA O=C(O)c1cccc(N2CCC(Oc3cccc(F)c3)CC2)n1 95506912 KOFVKJZPVDSQEX-UHFFFAOYSA-N 316.332 2.967 0 50 DFAA O=C(CCc1ccccn1)N1CC[C@@H](Cc2cccc(CO)c2)C1 91664623 YUUOXTZWOKGLSN-KRWDZBQOSA-N 324.424 2.598 0 50 DFAA CCCn1nc(C)c(CNc2ncnc3onc(C)c23)c1C 95375926 WAPHAUYOFPVXKP-UHFFFAOYSA-N 300.366 2.762 0 50 DFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCC(F)(F)F)C2 92038254 YDBDSJJOZDXKNI-SNVBAGLBSA-N 317.307 2.705 0 50 DFAA CN(CCC1(O)CCCC1)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 95376913 OMPIZATVWJETJD-MRXNPFEDSA-N 322.424 2.582 0 50 DFAA CCc1nnc(CNC(=O)c2ccc([C@@H]3CCCO3)s2)s1 91694299 VCHYUOHKUXXMCH-VIFPVBQESA-N 323.443 2.944 0 50 DFAA Cc1cc(C)nc(CN(C)CCC(=O)NCc2cccs2)c1 252508425 XNGFZKCYYGPRKA-UHFFFAOYSA-N 317.458 2.898 0 50 DFAA O=C(O)[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1C(F)(F)F 299746780 ZSAGCUFVKSHBQE-RKDXNWHRSA-N 309.234 2.660 0 50 DFAA NC[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2Cl)C1 299739495 PFWIVMRFJCPZKP-JTQLQIEISA-N 301.217 2.733 0 50 DFAA COc1ccc([C@H](C)NC(=O)CCc2cccn2C)cc1F 534579733 CIUIVSJGMLLQHD-LBPRGKRZSA-N 304.365 2.983 0 50 DFAA CCc1ccoc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1C(=O)O 952889983 KHOYACQCKPNBDX-GFCCVEGCSA-N 317.345 2.631 0 50 DFAA CN(C[C@H](O)C1CC1)C(=O)c1ccc(F)c(OC(F)(F)F)c1 1875278387 VBVULBUISIBUJH-NSHDSACASA-N 321.270 2.567 0 50 DFAA FCCn1nc(-c2nc[nH]n2)nc1-c1ccc2sccc2c1 1875346923 DPAWFDGVNQFPJM-UHFFFAOYSA-N 314.349 2.914 0 50 DFAA CCn1ccc2ccc(CNCCN3CCCC[C@@H]3CO)cc21 952986565 JJRIGIYNHSAVNK-GOSISDBHSA-N 315.461 2.598 0 50 DFAA FC(F)(F)c1cc(CN2CC[C@H](c3nc[nH]n3)C2)cs1 888100623 VOCQMIMXWHWINE-VIFPVBQESA-N 302.325 2.875 0 50 DFAA COCc1nccc(N2CCC(F)(Cc3ccccn3)CC2)n1 1775991309 JMOJJGBYZZDVPW-UHFFFAOYSA-N 316.380 2.569 0 50 DFAA Cn1ncc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c1C1CC1 894920386 CSIPXTQLQDQBPG-INIZCTEOSA-N 310.401 2.861 0 50 DFAA COc1ccc2ccccc2c1CCNC(=O)c1c(C)cnn1C 1342499520 HEKIYELAJFOUTA-UHFFFAOYSA-N 323.396 2.863 0 50 DFAA C[C@@H](Nc1nccn2cnnc12)c1cc(F)ccc1N(C)C 1338331632 JIUKRGPZCODTRQ-SNVBAGLBSA-N 300.341 2.503 0 50 DFAA CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NCc1ccoc1 271821368 NIHVINARJNUKDX-NHYWBVRUSA-N 306.337 2.994 0 50 DFAA Cc1cc(=O)[nH]cc1C(=O)NC[C@H](Cc1ccccc1)C(C)C 188781442 PSNKRYMRDFRBBL-INIZCTEOSA-N 312.413 2.928 0 50 DFAA Cc1noc2ncnc(N[C@@H]3CCCN(c4ccccc4)C3=O)c12 193395622 IFIGXQQWJUDRDV-CYBMUJFWSA-N 323.356 2.534 0 50 DFAA C[C@@H](CN(C(=O)C[C@@H]1CCc2ccccc21)C1CC1)C(=O)O 195551999 AFGDLWLNIUEPGC-JSGCOSHPSA-N 301.386 2.818 0 50 DFAA CN(Cc1ccc2ncccc2c1)C(=O)CCc1ccnn1C 1506400485 VLRXQSSHWUSOED-UHFFFAOYSA-N 308.385 2.560 0 50 DFAA CN(CCN(C)C1CCCC1)C(=O)[C@H](C(=O)O)C1CCCCC1 1506407156 ORUXRLRVSJVYQG-MRXNPFEDSA-N 324.465 2.600 0 50 DFAA CCOCCC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C 1529199186 YDLNAFQZYDCNBE-UHFFFAOYSA-N 317.389 2.769 0 50 DFAA CCc1nc(C)c(C(=O)N2CCC3(C=C(C)CCO3)CC2)o1 1704337180 SEJMXZQWAQALOI-UHFFFAOYSA-N 304.390 2.887 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)c2csc(C)c2)n1 1055317 AONOSKCNLYUKFF-UHFFFAOYSA-N 310.400 2.871 0 50 DFAA O=C(c1ccc2c[nH]nc2n1)N1CCCC[C@@H]1c1nccs1 1775983979 FKZLKDGBTHVVOV-GFCCVEGCSA-N 313.386 2.782 0 50 DFAA Cc1cc(C(=O)N[C@H]2CCCN(CC3CCCCC3)C2)n(C)n1 12074935 WJLSVXJUIPQDBG-INIZCTEOSA-N 318.465 2.503 0 50 DFAA OCCCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 19114226 YQSFGQHTTPZWIF-UHFFFAOYSA-N 314.320 2.732 0 50 DFAA Cn1ccnc1[C@@H](C1CC1)n1ccnc1-c1cccc2ccnn12 1857731491 SFMWTNNQTJVMTP-MRXNPFEDSA-N 318.384 2.931 0 50 DFAA FC(F)(F)Cn1nnnc1CN1CCCC[C@@H]2CCCC[C@@H]21 225441095 RAFXXDFIDIJFEI-RYUDHWBXSA-N 317.359 2.780 0 50 DFAA O=C1CCCCN1c1ccc(I)cc1 2524404 OYDSTJMVOOOYDW-UHFFFAOYSA-N 301.127 2.808 0 50 DFAA in-vitro CN1CC[C@@H](CNCc2ccc(Cl)c3cccnc23)CC1=O 424188504 LODXNPITSUCBCC-GFCCVEGCSA-N 317.820 2.846 0 50 DFAA COc1ccc2c(c1)CN(C(=O)[C@@H](C)N)[C@@H](c1ccccc1)C2 119593379 QWRJULGKLOFKHS-FZKQIMNGSA-N 310.397 2.668 0 50 DFAA O=C(CNC1CC1)N1CCC[C@@H](COc2ccccc2Cl)C1 237925340 RNNQFXRQKREIMP-CYBMUJFWSA-N 322.836 2.709 0 50 DFAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@H]1CCCNC1 247029180 ZTYSHPYFWHOZKA-DVOMOZLQSA-N 322.836 2.628 0 50 DFAA COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3CC2 30726889 WXVSPYOOFCCEII-KXBFYZLASA-N 313.397 2.672 0 50 DFAA endogenous,in-man CN(C)c1ccc(C(=O)N2CCC(O)(C3CCC3)CC2)cc1 900705150 ULBQOAJSJVMMEJ-UHFFFAOYSA-N 302.418 2.520 0 50 DFAA O=C(N[C@@H]1COC2(CCC2)C1)c1nc(-c2ccccc2)ns1 902956027 YSDADUPEOSNBAZ-LBPRGKRZSA-N 315.398 2.647 0 50 DFAA O=C(O)[C@@H]1C[C@H]1CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 903890983 HUEVAJXJTUHODU-NUEKZKHPSA-N 323.820 2.806 0 50 DFAA Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n([C@H]2CCOC2)n1 2100482918 GJOXRUVGYJBWKQ-NSHDSACASA-N 313.336 2.744 0 50 DFAA O=C1CN(Cc2cc(O)c3ccsc3c2)[C@@H]2CCCC[C@H]2N1 2325738708 NHDVEIATMMGEPN-ZIAGYGMSSA-N 316.426 2.850 0 50 DFAA Cn1nc2c(c1C(=O)OC[C@@H]1C[C@H]3C[C@H]1[C@@H]1C[C@H]31)CSCC2 2325790788 LBDWOULEZLSFAZ-YYHQMBLXSA-N 318.442 2.658 0 50 DFAA Cc1cc(=NCC(F)(F)CC2CC2)[nH]c(-n2nc(C)cc2C)n1 2325865969 WADZFZRXFGRXON-UHFFFAOYSA-N 321.375 2.857 0 50 DFAA O=C(Nc1cccnc1)c1ccc(I)cc1 327267 IDMNCXKEBHHSFX-UHFFFAOYSA-N 324.121 2.939 0 50 DFAA CN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12 465063 WXMMRUBDXGQDJF-UHFFFAOYSA-N 302.330 2.961 0 50 DFAA Cc1ccc(C)c(OC(=O)CCN2C(=O)c3ccccc3C2=O)c1 466143 AQGGEWYRJLSGBT-UHFFFAOYSA-N 323.348 2.895 0 50 DFAA O=C(c1ccc2ccccn12)N1CCC(Cn2cccn2)CC1 2356169515 SLWCOIWVKYKSRF-UHFFFAOYSA-N 308.385 2.688 0 50 DFAA COc1ccc([C@@H](C(=O)O)[C@@H](C(=O)O)c2ccccc2)cc1 4776139 JMDQOIIJRILROU-LSDHHAIUSA-N 300.310 2.732 0 50 DFAA CCc1ccc(CNC(=O)C(=O)Nc2ccccc2OC)cc1 4833355 VCSUAPORVMAGIH-UHFFFAOYSA-N 312.369 2.513 0 50 DFAA CCCCOc1ccc(C(=S)N2CCN(C)CC2)cc1OC 4845812 GINTYSSTBGJXNL-UHFFFAOYSA-N 322.474 2.797 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 6677937 JDWLSMRUKTVWKG-AWEZNQCLSA-N 324.380 2.995 0 50 DFAA CC(C)C(NC(=O)c1ccc(N2CCOCC2)cc1)C(C)C 7504979 BFWFPWMIIZDKCH-UHFFFAOYSA-N 304.434 2.934 0 50 DFAA CC1CCC(NC(=O)[C@H](C)N(C)CC[C@H]2CCCCN2C)CC1 247487543 KQQOOWWYOKGORK-JYSRZZCRSA-N 323.525 2.876 0 50 DFAA Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1cccs1 20400190 VEZVBEZYKSXPPD-SNVBAGLBSA-N 306.362 2.953 0 50 DFAA CCN1C[C@@]2(CCCN(CCOc3ccccc3)C2)CCC1=O 72479183 PLGDURFIRHJOCV-IBGZPJMESA-N 316.445 2.790 0 50 DFAA O=C(c1cc2sccc2[nH]1)N1CCO[C@@H](C(F)(F)F)C1 71759764 RPQNYDBSKAPHFQ-SNVBAGLBSA-N 304.293 2.633 0 50 DFAA c1ccc(Cn2cc(CN3CCC[C@H](N4CCCC4)C3)cn2)cc1 130523285 LWVRMGKWIUODIG-FQEVSTJZSA-N 324.472 2.992 0 50 DFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](N)C1 157902774 VTJLVZHMNMMLIT-SMDDNHRTSA-N 314.351 2.834 0 50 DFAA COc1ccc(F)c(F)c1C(=O)NCCNc1ccncc1C 219909780 KJHCDRNFAUJMEE-UHFFFAOYSA-N 321.327 2.519 0 50 DFAA CC(C)(CN1CCCC1)CN1CCC(c2ccncn2)CC1 216253808 HXZJOOHUYGZSHT-UHFFFAOYSA-N 302.466 2.778 0 50 DFAA COC(C)(C)[C@H](C)NCc1ccccc1CN1CCC(O)CC1 340537555 UYGJRNYBNVYESE-HNNXBMFYSA-N 320.477 2.546 0 50 DFAA CN(C)CC[C@H]1CCCCN1C(=O)NCCc1ccccc1F 72447248 VVBMYXZSMCOBRU-MRXNPFEDSA-N 321.440 2.884 0 50 DFAA Cc1cccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c1O 176333653 BDFPGJICSCPUST-UHFFFAOYSA-N 323.352 2.723 0 50 DFAA CC[C@H]1COCCN1Cc1c(-c2cc(C)on2)nn(C)c1Cl 77407599 MIDJKWVTUWDUGE-NSHDSACASA-N 324.812 2.648 0 50 DFAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccoc1Cl 287164608 ZRQBYSRBXVSQGN-KGYLQXTDSA-N 313.781 2.589 0 50 DFAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCc1cccs1 85532837 OYUBZTUWDORXHI-AWEZNQCLSA-N 308.447 2.540 0 50 DFAA CCOC(=O)CC[C@H]1CCC(=O)N1Cc1ccc(OC)cc1 44126639 NWFWSEDQXIMDCB-CQSZACIVSA-N 305.374 2.530 0 50 DFAA COC[C@@H]1CN(c2ccc(C(F)(F)F)c(Cl)n2)CCO1 266275178 RWRRGFJFYLMTGZ-QMMMGPOBSA-N 310.703 2.605 0 50 DFAA CCc1ccc(C(=O)NCCCOC2CCN(C)CC2)s1 223137973 LJWKUJJSFRRJET-UHFFFAOYSA-N 310.463 2.541 0 50 DFAA Cc1cccc2[nH]c(C3CCN(C(=O)c4cccnn4)CC3)nc12 91860892 BPRNTLCNCGMDEV-UHFFFAOYSA-N 321.384 2.681 0 50 DFAA O=C(NCCc1ccncc1)c1cccc([C@@H]2CCCNC2)c1 95357425 GYFMPOWHSIZPOA-GOSISDBHSA-N 309.413 2.521 0 50 DFAA CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2nccn2C)cc1 426485596 FMNZRMZQWUXJSU-MRXNPFEDSA-N 313.401 2.728 0 50 DFAA Cc1nc(N)nc(NCc2cnn(-c3ccc(F)cc3)c2)c1C 95386044 WZIXLNYEDAQOGV-UHFFFAOYSA-N 312.352 2.613 0 50 DFAA CC(C)N1CCN(Cc2cc(O)c3cc(F)ccc3n2)CC1 91942991 FAIIZYUPIHZBAY-UHFFFAOYSA-N 303.381 2.606 0 50 DFAA CC(C)N(C(=O)c1ccccc1-c1n[nH]c(N(C)C)n1)C(C)C 97674442 AJTGRLNGAVJSEO-UHFFFAOYSA-N 315.421 2.797 0 50 DFAA Cc1cccc([C@H](NC(=O)c2c(C)nc3ncccn23)C2CC2)n1 97217665 BDTRKEMNLHWIOW-OAHLLOKOSA-N 321.384 2.622 0 50 DFAA Cc1ccc(CN(CCO)Cc2cnc3c(c2)c(C)nn3C)cc1 181965683 DMKALYOONCXSMS-UHFFFAOYSA-N 324.428 2.580 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1F 299343617 HUEIBQDESXYGNK-IIMNLJJBSA-N 309.312 2.823 0 50 DFAA CCOC(=O)Cc1nc(C(F)(F)F)ccc1Br 263624870 UUZBUZJCZSBTMU-UHFFFAOYSA-N 312.085 2.969 0 50 DFAA C[C@H](Cn1ccnc1)NC1CCN(Cc2ccc(F)cc2)CC1 534650581 RMDOBCLQUNWYHP-OAHLLOKOSA-N 316.424 2.665 0 50 DFAA Cc1ccnc(SCC(=O)NC[C@H](C)c2nc(C)cs2)n1 299782935 GOOCDTXWBJAJIU-VIFPVBQESA-N 322.459 2.562 0 50 DFAA Cc1ccc(CN2C(=O)CC[C@@H]2CCNCc2cccnc2)o1 299797595 BLNPPQWVKPRZND-MRXNPFEDSA-N 313.401 2.654 0 50 DFAA Cc1nc([C@H]2CCCCN2C(=O)c2cccc(C)c2N)no1 1875279149 TWLCUROFPZPECZ-CYBMUJFWSA-N 300.362 2.636 0 50 DFAA CN1CC2(CCN(c3cccc(C(=O)O)n3)CC2)c2ccccc21 1875343888 XQYVUQIJHVVWFR-UHFFFAOYSA-N 323.396 2.768 0 50 DFAA Cc1cc(C2CN(c3cncc(OCC4CCCC4)n3)C2)no1 1875308086 YCMUNQVLPPZZDT-UHFFFAOYSA-N 314.389 2.946 0 50 DFAA C=CC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 1875367353 KMOJJXRRCAYZFA-UHFFFAOYSA-N 318.380 2.796 0 50 DFAA Cc1cc(C(F)(F)F)nn1CCNc1ncc(Cl)cn1 895424809 ABCGUSJGQXSTAX-UHFFFAOYSA-N 305.691 2.766 0 50 DFAA CCC(C)(C)c1ccc(CN2CCC[C@](O)(C(=O)O)C2)cc1 1775992422 ZFTMWLJFZNBRQI-GOSISDBHSA-N 305.418 2.786 0 50 DFAA CC(C)(C)[C@@H](NC(=O)c1ccnc2[nH]ncc12)C(F)(F)F 1775993191 XDIWUQBVCGTQOC-LLVKDONJSA-N 300.284 2.665 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cccc(F)c1F)C2 1565514587 IGAPKLCVPMLWLF-STQMWFEESA-N 308.372 2.911 0 50 DFAA CC(=O)Nc1cc(C(=O)Nc2cnn3c2CCCC3)ccc1C 634214784 HXSHZXWBYLTGMG-UHFFFAOYSA-N 312.373 2.739 0 50 DFAA COC(=O)c1ccccc1CCS(=O)(=O)C1CCCCC1 187431631 PNHNVYXMGPHBNC-UHFFFAOYSA-N 310.415 2.763 0 50 DFAA COC(=O)c1oc(COc2ccc3c(c2)C(=O)OC3)cc1C 585122935 JUICXSIYJQCJCG-UHFFFAOYSA-N 302.282 2.624 0 50 DFAA CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](n2ccnn2)C1 585130206 KLWVILMNTQEXIC-ZFWWWQNUSA-N 316.430 2.622 0 50 DFAA CCn1c(S[C@H]2CCC[C@@H](OC)C2)nnc1-c1cnccn1 585118802 CJSJEYOIMRXXTK-NEPJUHHUSA-N 319.434 2.805 0 50 DFAA CCc1ncsc1C(=O)N1CCc2ccccc2[C@H]1C(=O)O 663149038 WJZQDYMNCBQMFW-ZDUSSCGKSA-N 316.382 2.530 0 50 DFAA Cc1cc(N)n(CC(=O)N(Cc2ccsc2)CC(C)C)n1 1506414586 GHHPVKLUVPDCME-UHFFFAOYSA-N 306.435 2.520 0 50 DFAA Cc1ccc(C)c(CC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c1 1704358564 NOPNOJAPCMPLEV-MJGOQNOKSA-N 301.430 3.000 0 50 DFAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3ccnc(-c4ccccc4)c3)C[C@H]21 1615548491 STGLITLBQNHZNG-WNRNVDISSA-N 321.424 2.738 0 50 DFAA Cc1ncc(OCc2noc(C3CC3)n2)cc1Br 1615588699 GVBHEMIBLJFPKU-UHFFFAOYSA-N 310.151 2.992 0 50 DFAA CCC(CC)(CNC(=O)[C@H]1C[C@@H]2[C@H](N)C[C@H]2C1)C(F)(F)F 1615548934 UMRLNPRMJCLOIX-WISYIIOYSA-N 306.372 2.845 0 50 DFAA CC[C@@]12C[C@H]1CN(C(=O)c1cnc(-c3cccnc3)nc1C)C2 1772818354 QVSRBJLYKBBTBE-KSSFIOAISA-N 308.385 2.719 0 50 DFAA COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1 5998754 MQSZRBPYXNEFHF-UHFFFAOYSA-N 300.266 2.585 0 50 DFAA biogenic,in-vitro c1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)nc1 19840615 BBHKESQVGZYMAM-UHFFFAOYSA-N 306.413 2.881 0 50 DFAA O=C([C@H]1C[C@@H]1c1ccsc1)N1CCOC2(CCOCC2)CC1 1857528813 WHWQXGIPTJHRKR-CABCVRRESA-N 321.442 2.650 0 50 DFAA CN1CCN(c2ccc(-c3cnc4cccc(F)c4c3)nn2)CC1 1875245679 LOAMXWOBWYLTDR-UHFFFAOYSA-N 323.375 2.583 0 50 DFAA CO[C@@H](C(=O)Nc1cccc(-c2ncn(C)n2)c1)c1ccccc1 126864586 ODYGNDDVHZTLLE-MRXNPFEDSA-N 322.368 2.808 0 50 DFAA COC(C)(C)C[C@H](C)NC(=O)N1CCC(c2c[nH]cn2)CC1 241338578 MBZLCLWZZXLOSZ-LBPRGKRZSA-N 308.426 2.502 0 50 DFAA Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)c1ccncc1F 338195130 NEJQAAUEIYIUND-VIFPVBQESA-N 305.353 2.981 0 50 DFAA Cc1noc(C)c1CN(C)C(=O)Nc1cc(C2CCC2)nn1C 153682987 NTWWVDYRJIRTGE-UHFFFAOYSA-N 317.393 2.956 0 50 DFAA CO[C@H]1CCCN(Cc2ccc(O[C@H](C)C(=O)O)cc2)CC1 902416185 DLFFFAGSPINTNU-HIFRSBDPSA-N 307.390 2.539 0 50 DFAA CN(Cc1occc1C(=O)O)C[C@@H]1OCCc2sccc21 903618311 DRSKIDMYLHSHLP-LBPRGKRZSA-N 307.371 2.785 0 50 DFAA CCOCCC(=O)N1CCc2ccc(Br)cc2C1 253416415 VOFBADHQALUCMP-UHFFFAOYSA-N 312.207 2.760 0 50 DFAA C[C@H](C(=O)O)N(C(=O)c1cc(Br)cs1)C1CC1 262241793 YCXUHRJURXWEPU-ZCFIWIBFSA-N 318.192 2.588 0 50 DFAA O=C(CC1(C(=O)O)CC1)NCc1ccc(Cl)cc1Cl 2325770979 FJMBSPKDPWXDHS-UHFFFAOYSA-N 302.157 2.865 0 50 DFAA Cc1nc(C(=O)NC[C@H]2CCNC2(C)C)c(-c2ccccc2)o1 2325786505 RAIRSCNCRNXFJA-CQSZACIVSA-N 313.401 2.768 0 50 DFAA Cc1cc(Br)cc(CN2CC([C@@H]3C[C@H]3C(=O)O)C2)c1 2325792778 LPZXMKSCTQPGEF-UONOGXRCSA-N 324.218 2.910 0 50 DFAA Cc1cnn(CCC(=O)N2CC(C)(c3ccc(F)cc3)C2)c1 2325802856 BFNMAUVKFSNRQW-UHFFFAOYSA-N 301.365 2.521 0 50 DFAA CN1CCN(Cc2ccc(-n3cccn3)cc2)c2cnccc21 2325858723 YNDBWAHBSSZURT-UHFFFAOYSA-N 305.385 2.724 0 50 DFAA Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)no1 181508 GCVYQTMNIRPFQB-UHFFFAOYSA-N 322.674 2.799 0 50 DFAA CCC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(C(F)(F)F)C1 352183 RAFHGQWFPMFTJS-CYBMUJFWSA-N 316.279 2.563 0 50 DFAA Cc1cc(=O)c2ccccc2n1CC(=O)NCc1ccccc1 468711 COSNTQHLZOXHMJ-UHFFFAOYSA-N 306.365 2.626 0 50 DFAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Cl 4309831 YFCPESVLCCUKEQ-CYBMUJFWSA-N 308.765 2.921 0 50 DFAA CCn1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)n1 6726449 AGZQAVWCRXLAEH-UHFFFAOYSA-N 309.753 2.826 0 50 DFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1 7720715 DIBMEDOWEFOZHK-UHFFFAOYSA-N 307.353 2.938 0 50 DFAA Cc1ccc(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)c(=O)[nH]1 55254380 FKNQKXVHCWNTRY-CYBMUJFWSA-N 302.374 2.963 0 50 DFAA O=C1COc2ccccc2N1Cc1nnc(-c2ccccc2)o1 9189574 PMNCPVKGBYPPFP-UHFFFAOYSA-N 307.309 2.662 0 50 DFAA C[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 229479330 JZTDOUUTAMBMPL-BBBLOLIVSA-N 318.200 2.505 0 50 DFAA c1cc(CN2CCC[C@H](Cn3ccnc3)C2)cc(-n2cccn2)c1 67774860 CNNLEXUGTUBGNM-SFHVURJKSA-N 321.428 2.981 0 50 DFAA Oc1ccc(Cl)c(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1Cl 101732160 KVDVVRMTVOLBAU-QRJZZWFUSA-N 302.201 2.902 0 50 DFAA COC(=O)c1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 10112246 QQVZYXBNJNQPJP-UHFFFAOYSA-N 323.345 2.554 0 50 DFAA Cn1cc(Cl)c(-c2nc3c(cnn3Cc3ccccc3)[nH]2)n1 20167331 CDHHTWFWKQDJIZ-UHFFFAOYSA-N 312.764 2.862 0 50 DFAA Cc1ccc(C(=O)NCCCN2CCOCC2)c2ccccc12 22108272 GTRYSWUJJBHTQB-UHFFFAOYSA-N 312.413 2.600 0 50 DFAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc(Cl)cc2O)C1 62869662 GHICBXDDIJVMJB-OAHLLOKOSA-N 311.765 2.763 0 50 DFAA O=C(CNCc1ccc(Cl)cc1)NCc1ccccc1F 65507118 PHARMMYBTPYAEA-UHFFFAOYSA-N 306.768 2.885 0 50 DFAA COc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1C 252676405 WZVFLVNFHVECFF-BPLDGKMQSA-N 304.390 2.939 0 50 DFAA COc1ccccc1CN(Cc1cccnc1)C[C@H]1CCNC1 328640799 QERSLKIAGKJXBA-KRWDZBQOSA-N 311.429 2.702 0 50 DFAA Cc1cc(C)c(C)c(OCCC(=O)N2CCC[C@H]([C@H](C)N)C2)c1 237410091 SXGYLRAFFVYUKL-IRXDYDNUSA-N 318.461 2.967 0 50 DFAA O=C1CC[C@@H](Nc2ncc(C(F)(F)F)s2)C2(CCC2)N1 282848949 NNRKTSRGKIAJEJ-SSDOTTSWSA-N 305.325 2.775 0 50 DFAA NCCc1nc(NCCCc2ccccc2O)c2ccccc2n1 65398897 KGFKUYNTKMXUDL-UHFFFAOYSA-N 322.412 2.881 0 50 DFAA CN(C)c1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)c1 331186450 TYNXMRGDVHHTCV-UHFFFAOYSA-N 323.418 2.839 0 50 DFAA CCN(C(=O)[C@H](C)c1c(C)nn(C)c1C)c1cccnc1C 331257541 DAUGDRNAMSSINZ-LLVKDONJSA-N 300.406 2.897 0 50 DFAA COc1ccnc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 253396199 LTYYCOKYPWNIID-WBVHZDCISA-N 302.349 2.537 0 50 DFAA CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2539209 NFVNYBJCJGKVQK-ZDUSSCGKSA-N 304.346 2.688 0 50 DFAA biogenic C[C@@H](NC(=O)NOCC(C)(C)O)c1c(F)cccc1Cl 253425187 QKAZWIIZKKHGNM-MRVPVSSYSA-N 304.749 2.542 0 50 DFAA O=C(CCc1ccc(F)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 127561830 IITWJKULIIMQFR-YJBOKZPZSA-N 305.393 2.912 0 50 DFAA Cc1nc(C)c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 331565768 JTSKCRFLNFIFHW-SMDDNHRTSA-N 322.311 2.518 0 50 DFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1cc(C)nc(C)c1 215262946 OFBFPNNRTWWVGL-KRWDZBQOSA-N 314.385 2.600 0 50 DFAA C[C@H](C[S@](C)=O)Nc1ccc(-c2ccccc2Cl)nn1 864091249 AIEMZSPBAKAHHF-SBKAZYGRSA-N 309.822 2.976 0 50 DFAA CC(C)n1cnnc1CN(C)Cc1ccc(-n2ccnc2)cc1 77385369 XRAUCCNJFGPBPL-UHFFFAOYSA-N 310.405 2.677 0 50 DFAA Cc1cc(C)n(-c2cncc(N3CCC[C@@H]3c3cc(C)on3)n2)n1 365392875 UFRISQCUMVGRLC-OAHLLOKOSA-N 324.388 2.917 0 50 DFAA CCO[C@@H](C)c1ncc(C(=O)NCc2ccnc(C)c2)s1 452426051 NTWKCEGZNHEPGZ-NSHDSACASA-N 305.403 2.874 0 50 DFAA Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC=C(F)C2)cc1 368594620 WZRZQPRWYLEHHD-INIZCTEOSA-N 316.376 2.572 0 50 DFAA CC(=O)NCc1ccc([C@H]2CCCN2Cc2nc(C)c(C)o2)o1 368759912 CHVBGAAUHDVKLX-OAHLLOKOSA-N 317.389 2.858 0 50 DFAA CC1(C)CN(CCc2ccc(F)c(F)c2)C[C@@]2(CCOC2)O1 373800640 ZYZIUPRJWQLMOZ-QGZVFWFLSA-N 311.372 2.777 0 50 DFAA O=C(C[C@H]1COCCN1)Nc1cccc(-c2cccc(F)c2)c1 72165935 RWNRDXKETPTMAP-KRWDZBQOSA-N 314.360 2.810 0 50 DFAA CCOc1ccccc1CN1CCN(CC(C)C)[C@H](CCO)C1 39380906 LATOBVAQNALRJP-GOSISDBHSA-N 320.477 2.610 0 50 DFAA Cc1ncc2c(c1CNC(=O)CCC1CCCC1)CCNC2 72453661 LWGKOHDOLKDLMO-UHFFFAOYSA-N 301.434 2.622 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccccc1F 36620349 CAAPOCQMLKFICD-AWEZNQCLSA-N 324.377 2.956 0 50 DFAA CN(CC(=O)O)[C@H]1CCCN(Cc2cccc(C3CC3)c2)CC1 263371615 VNEIYPGSFZKRQG-SFHVURJKSA-N 316.445 2.935 0 50 DFAA CNc1ccnc(N[C@H]2CCCN(C3Cc4ccccc4C3)C2)n1 72453476 FJYHRRYFLNYGGJ-INIZCTEOSA-N 323.444 2.562 0 50 DFAA CO[C@H](C(=O)Nc1ccccc1C(F)(F)F)c1cnn(C)c1 344237949 XAKHPJLEAFDUBW-LBPRGKRZSA-N 313.279 2.765 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c(C)n1 286855237 VUILGZYOXSMEDD-CZUORRHYSA-N 314.389 2.538 0 50 DFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1C 47977062 ABUXLGIRPONTPS-AWEZNQCLSA-N 303.406 2.636 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CC2)n1C 617291393 FCTXCEUTABMAKM-UHFFFAOYSA-N 323.356 2.908 0 50 DFAA CCc1cn[nH]c1[C@@H]1CCCN(Cc2cc(C(C)=O)cn2C)C1 82157799 UZGSFIBUWVTPMT-OAHLLOKOSA-N 314.433 2.893 0 50 DFAA CC1(C[C@@]23CC=CC[C@]2(C(=O)OCCO)CCCC3)OCCO1 43214747 LVDQEYTVFLQVNL-ZWKOTPCHSA-N 324.417 2.572 0 50 DFAA Cc1cnccc1OC1CCN(C(=O)Cc2ccoc2)CC1 332314413 UJAPXWRHMUSJQD-UHFFFAOYSA-N 300.358 2.596 0 50 DFAA CCCc1csc(NC(=O)N2CC[C@@H](N3CCCC3)C2)n1 180631584 AOJFSVRSGXBVSO-CYBMUJFWSA-N 308.451 2.798 0 50 DFAA CCc1ncc(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cn1 95364443 NYYHXRKFKKKXQT-UHFFFAOYSA-N 312.348 2.932 0 50 DFAA CN(Cc1ccon1)[C@@H](C(=O)O)c1ccc(OCC2CC2)cc1 95378213 PJLMEXHXFNXQQJ-MRXNPFEDSA-N 316.357 2.721 0 50 DFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCC1=CCCCC1)C2 95508555 NCTKWNJINUQPLR-HNNXBMFYSA-N 301.386 2.863 0 50 DFAA COCC[C@]1(O)CCN(Cc2nc(C(C)C)cs2)C[C@H]1C 91445219 CSKNHTYASWYZNW-CZUORRHYSA-N 312.479 2.876 0 50 DFAA COc1ccc([C@@H](NC(=O)C2CCCCC2)[C@H]2C[C@@H](O)C2)cn1 244742317 OFQVILFXRAUJOO-HLLBOEOZSA-N 318.417 2.599 0 50 DFAA O=C(c1scnc1C1CCCC1)N1CCN2CCC[C@H]2C1 184800511 NUUQABRIPRUHAC-ZDUSSCGKSA-N 305.447 2.721 0 50 DFAA CCOc1cccc(CN(C)C(=O)N[C@H](CC)CN(C)C)c1 534673758 YYWCGQBBRGWDIV-OAHLLOKOSA-N 307.438 2.567 0 50 DFAA Cc1noc(C)c1CCC(=O)NCc1nc2c(s1)CCCC2 584888113 YVASJNXUKOHXLW-UHFFFAOYSA-N 319.430 2.876 0 50 DFAA Cc1cc2sc(NC(=O)NC3CC(C(=O)O)C3)nc2cc1F 871655859 JWLYPSMOXHMWNV-UHFFFAOYSA-N 323.349 2.729 0 50 DFAA Cc1csc(C)c1S(=O)(=O)N1CCCc2c1n[nH]c2C 1875279810 FKJTYWPQYQOFKX-UHFFFAOYSA-N 311.432 2.538 0 50 DFAA CCC(=O)N[C@H](C(=O)NC1CC(C2CCC2)C1)c1ccccc1 1875278627 QAKRMMTVVOFBKU-HTWSVDAQSA-N 314.429 2.949 0 50 DFAA CCOc1cccc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 888079132 CLLUEGAOQVICSA-HZPDHXFCSA-N 301.390 2.770 0 50 DFAA CCN(Cc1cccc(OCCN(C)C)c1)[C@H]1CCCC[C@@H]1O 1565508158 IIXIUOPXUUAVKW-OALUTQOASA-N 320.477 2.752 0 50 DFAA CCN(CC)C(=O)c1ccc(NCc2nc(CO)cs2)cc1 1364890545 JJURZADLQJCKQJ-UHFFFAOYSA-N 319.430 2.730 0 50 DFAA Nc1ccc(OC(F)(F)F)c(I)c1 79449508 VKATTYNFWRWDDN-UHFFFAOYSA-N 303.021 2.772 0 50 DFAA in-vitro CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@]2(CCNC2=O)C1 95740462 WQXGOSCVIDAUDS-KDOFPFPSSA-N 316.401 2.527 0 50 DFAA in-vitro CCn1c(CCNC(=O)[C@H]2CCCO[C@H]2C)nc2ccccc21 190471365 MGINOQUJJPGOKT-KBPBESRZSA-N 315.417 2.530 0 50 DFAA CC(C)n1cc(-c2nc(C3(c4ccncc4)CCC3)no2)nn1 656035652 PKAFMAPIAHOSRH-UHFFFAOYSA-N 310.361 2.774 0 50 DFAA CC(C)c1noc(CCNC(=O)N2CCC[C@@H](C3CC3)C2)n1 585083829 YULVAKHWVNTGCP-CYBMUJFWSA-N 306.410 2.567 0 50 DFAA Cc1cc(N2C(=O)NC(=O)C2(C)C)cc(C)c1Br 218154605 AMILLRGCTCXFMA-UHFFFAOYSA-N 311.179 2.901 0 50 DFAA C[C@@H]1CC[C@@H](C(=O)O)[C@@H](C)N1Cc1nc(-c2ccsc2)no1 1615554262 DTRCTHNYXKVJNC-CKYFFXLPSA-N 321.402 2.872 0 50 DFAA Cc1ccc(S(=O)(=O)n2cccc2Br)cc1 16054443 DEGWOQDAQOPOEW-UHFFFAOYSA-N 300.177 2.796 0 50 DFAA in-vitro Cc1cc(=O)n([C@H](C)C(=O)Nc2cccc(Cl)c2)nc1C 1848442534 ZBURXNQIFLNIAR-LLVKDONJSA-N 305.765 2.713 0 50 DFAA Cn1ccc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1=O 1772816532 TVONQHSWQFUBNA-BQYQJAHWSA-N 322.408 2.805 0 50 DFAA Cc1cc(Cl)ccc1OCCN(C)CC[C@H]1COCCO1 1775980853 DBUHPPDXVQIPNR-HNNXBMFYSA-N 313.825 2.765 0 50 DFAA CC(C)c1csc(CN2CCN(C)C3(CCOCC3)C2)n1 1775983587 NYDKPUUXJXUTNS-UHFFFAOYSA-N 309.479 2.563 0 50 DFAA CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12864083 HEXKEJRYGFDCBO-GFCCVEGCSA-N 306.381 2.593 0 50 DFAA O=C(N[C@H](C(=O)O)c1ccccc1)c1csc(C2CC2)n1 138448618 YUUJSLXODFPARL-LBPRGKRZSA-N 302.355 2.576 0 50 DFAA Cc1nc(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)no1 225453947 WJVDDPGQDXSYPV-QMTHXVAHSA-N 307.781 2.993 0 50 DFAA Cc1cc(C(=O)O)cc(C(=O)N[C@@H](C)Cc2c(C)noc2C)c1 263340739 RWGHVPGFQFKEPF-JTQLQIEISA-N 316.357 2.659 0 50 DFAA Cc1cc(O)c(C(=O)N2CCC(OCCC(C)C)CC2)cn1 266842123 OSUDHTRUHCKTIN-UHFFFAOYSA-N 306.406 2.763 0 50 DFAA CC[C@@H](C)n1ncc(NC(=O)N[C@H](C)c2cnn(C)c2)c1C 390833488 IDQIAZHYXAIUED-GHMZBOCLSA-N 304.398 2.779 0 50 DFAA COCCNCCOc1ccc(OCc2ccccc2)cc1 3002169 RIENOJLXXCTTFT-UHFFFAOYSA-N 301.386 2.880 0 50 DFAA C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)ccn2)C[C@H]1CC(=O)O 907779627 YZUIFANXVRARCU-CZUORRHYSA-N 324.380 2.931 0 50 DFAA Cn1cc([C@H](NC(=O)c2cccc3c2OCC3)C(C)(C)C)cn1 934129357 VMDKOTYYANSOBK-INIZCTEOSA-N 313.401 2.872 0 50 DFAA CCc1nc(CN2CCC[C@@H]2c2ncc(OC)c(O)n2)cs1 934282590 PIISVHOAFHOSNG-LLVKDONJSA-N 320.418 2.547 0 50 DFAA CCOCCN[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 400958035 HUFUSQVYIWGKFV-RBSFLKMASA-N 312.454 2.648 0 50 DFAA CCn1cc(CN2C[C@@H](CC(=O)O)C(C)(C)C2)c(C2CC2)n1 2325788253 VIUIBFRXZOAGBB-CQSZACIVSA-N 305.422 2.713 0 50 DFAA C[C@@H]1CNCC[C@@H]1Cn1cc(COc2ccc(Cl)cc2)nn1 2325800608 XHOBAQMZPMEIMF-CHWSQXEVSA-N 320.824 2.756 0 50 DFAA CC(C)(C)c1csc(NC(=O)N2C[C@H]3CC[C@H]2[C@H](N)C3)n1 853306113 KLVTUKLSZOCSSX-AXFHLTTASA-N 308.451 2.784 0 50 DFAA CCN(CC)C[C@@H](O)Cn1c2c(c3ccccc31)CCCC2=O 74835 VVISDTGHYZBAFN-CQSZACIVSA-N 314.429 2.863 0 50 DFAA CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 395532 VMJKUPWQKZFFCX-UHFFFAOYSA-N 313.353 2.669 0 50 DFAA biogenic,in-vitro Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccccc3)c2N)c1 424352 NKBSJIZZGFTNSR-UHFFFAOYSA-N 307.357 2.719 0 50 DFAA CN1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1 449084 AAHWTMBAENYAAT-UHFFFAOYSA-N 320.396 2.754 0 50 DFAA COc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2C)n1 620502 DDLUOXCKJBDRKY-UHFFFAOYSA-N 321.764 2.773 0 50 DFAA O=C(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 4245557 QOBKOVGSAHQBPI-UHFFFAOYSA-N 300.789 2.981 0 50 DFAA COc1cc(C)c(NC(=O)C(=S)NCc2ccco2)cc1C 4832288 HUDZKTTUPNOVDI-UHFFFAOYSA-N 318.398 2.961 0 50 DFAA CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(F)c1)C2 112670281 LXIBQVQPEONCPS-UHFFFAOYSA-N 301.365 2.881 0 50 DFAA C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CCN[C@H](C)C1 420330296 AWKJAUCOTNGFAU-NEPJUHHUSA-N 320.824 2.669 0 50 DFAA Cn1nc2n(c1=O)-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27326255 ASJCMUJNNXXSQM-UHFFFAOYSA-N 324.771 2.575 0 50 DFAA CCCCC(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 24706393 MIQBLEPMRIEBEM-LBPRGKRZSA-N 315.377 2.607 0 50 DFAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](n3cncn3)C2)C1(C)C 229436162 ANXVCLJQGLJTOY-RBSFLKMASA-N 302.422 2.680 0 50 DFAA Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740311 TUMMSSBXIOFIBS-INIZCTEOSA-N 316.445 2.896 0 50 DFAA COc1ccccc1-n1nc(C)nc1[C@H]1Cc2ccccc2CN1 67919890 AZAPHMLFONBVLQ-MRXNPFEDSA-N 320.396 2.971 0 50 DFAA C[C@@H]1C[C@H]1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 229935279 RCLAJFLUDWJMRP-IIAWOOMASA-N 312.413 2.785 0 50 DFAA COCCNc1ccc(-c2ccc(Br)cc2)nn1 20721476 NEEHYDFUPWRKJT-UHFFFAOYSA-N 308.179 2.964 0 50 DFAA O=C(CCn1cnc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 67894123 AIKBDODGPCVTPP-AWEZNQCLSA-N 323.400 2.556 0 50 DFAA Cc1noc([C@@H](C)NC(=O)c2oc(Br)cc2C)n1 330390245 GHMREBASSKFOCO-ZCFIWIBFSA-N 314.139 2.533 0 50 DFAA CNC(=O)c1ccc(CN2CCC(c3ccccn3)CC2)cc1 363447120 RYKAVQOUGOUMIL-UHFFFAOYSA-N 309.413 2.821 0 50 DFAA COC(=O)c1ccccc1NC(=O)NCc1ccccc1OC 35287494 NXPXGJPKTFXGPE-UHFFFAOYSA-N 314.341 2.804 0 50 DFAA Cc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n(C)n1 120481463 IHIFNABOUPWZDP-HNNXBMFYSA-N 315.373 2.539 0 50 DFAA c1ccc([C@]2(CN3CC(N4CCCCC4)C3)CCOC2)cc1 215472559 AUUDLYJYWIDMES-IBGZPJMESA-N 300.446 2.515 0 50 DFAA CC(C)c1nccn1[C@@H]1CCCN(c2ncnc3[nH]cnc23)C1 373088070 QKZWRRYDGFWOTG-GFCCVEGCSA-N 311.393 2.514 0 50 DFAA CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 241969496 UWQPNXJQHDLPGJ-MELADBBJSA-N 310.438 2.986 0 50 DFAA Cc1cc2c(cc1CN1CCC[C@H](N(C)C)CC1)OCCO2 215612123 FGDZIWOWQOSEKI-INIZCTEOSA-N 304.434 2.682 0 50 DFAA CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc4cc[nH]c34)[C@H]2C1 245624395 BTAXXGXBEOMERK-VNQPRFMTSA-N 314.385 2.576 0 50 DFAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 41096717 LWMOYRLIHFZDQO-ZDUSSCGKSA-N 321.398 2.746 0 50 DFAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cccn1C 222566097 WGKZHJHQKRCVBM-UHFFFAOYSA-N 316.792 2.870 0 50 DFAA Cn1cc(C(=O)O)c(C(=O)Nc2ccccc2C(C)(C)C)n1 20614580 UUVBLBTTWMPOAE-UHFFFAOYSA-N 301.346 2.668 0 50 DFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NC[C@H]1CCCO1 426574680 GVOINLQIYIDUGM-CQSZACIVSA-N 305.353 2.627 0 50 DFAA CCc1cccc(OC[C@H](O)Cn2nccc2-c2cccnc2)c1 179031003 FCZSFVSTXAKULS-QGZVFWFLSA-N 323.396 2.947 0 50 DFAA COc1cc(-c2ccccc2)sc1C(=O)N(C)[C@@H]1CCNC1 179091517 MPZNRFGVQHYKMH-CYBMUJFWSA-N 316.426 2.858 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 179234310 HMPHCGQIVLUUEH-NSHDSACASA-N 303.349 2.915 0 50 DFAA O=C(CCc1ccoc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 180124805 PZKRNYGUWUQVOO-BBRMVZONSA-N 321.323 2.825 0 50 DFAA CC(C)N(C[C@H](O)COc1ccccc1-c1cn[nH]c1)C(C)C 426361276 LUAXKZZNGDYFDW-INIZCTEOSA-N 317.433 2.935 0 50 DFAA CCCN(CCC1=CCCCC1)C(=O)N[C@H](C)Cn1cncn1 426621527 ARTYUTLURXULNL-OAHLLOKOSA-N 319.453 2.979 0 50 DFAA CN(C)c1ccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c2ccccc12 223449821 BGIVBDULFYRGLM-RYRKJORJSA-N 310.397 2.813 0 50 DFAA Cc1cc(NC(=O)CNC2(c3cccc(Cl)c3)CC2)on1 179666538 NFEOFPNZBAXSRY-UHFFFAOYSA-N 305.765 2.854 0 50 DFAA O=C1C[C@@H](Cc2ccc(N3CCCC3)nn2)CN1c1ccccc1 223561635 OQJAYVAQBJBJDU-OAHLLOKOSA-N 322.412 2.672 0 50 DFAA CCOC(=O)[C@@H](F)C1CN(C(=O)c2csc3ccccc23)C1 294394133 ZRGXMEDPFIPLRR-AWEZNQCLSA-N 321.373 2.875 0 50 DFAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@@H]1CCCCO1 237968149 LUSZMXPPHOLZAI-AJNGGQMLSA-N 309.406 2.580 0 50 DFAA CO[C@@H](CNC(=O)Nc1ccnn1CC1CC1)c1cccs1 96160368 NIWJFTDONSSTER-LBPRGKRZSA-N 320.418 2.864 0 50 DFAA Cc1ccn2ncc(C(=O)N(C)C[C@@H]3CCc4ccccc43)c2n1 620684372 PTRPXOQUDLPRTC-HNNXBMFYSA-N 320.396 2.840 0 50 DFAA Cc1ncncc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 97756336 LPOHVKXJFASNLC-UHFFFAOYSA-N 301.777 2.900 0 50 DFAA Cc1cc(CN[C@@](C)(C(N)=O)C(C)C)ccc1Br 297555532 GVAFCTQRXZBHTF-CQSZACIVSA-N 313.239 2.747 0 50 DFAA CCN1CCc2ccc(NC(=O)N[C@@H](C)[C@H]3CCCO3)cc21 252498230 TZGRIYPYVANQMM-BLLLJJGKSA-N 303.406 2.758 0 50 DFAA Cc1ccccc1NC(=O)[C@H](C)N(C)CC1(CO)CCCC1 252500520 SXEQBNQRZPYZGE-HNNXBMFYSA-N 304.434 2.807 0 50 DFAA Cc1nc([C@H](C)NC(=O)c2c(C)[nH]c(C(=O)O)c2C)c(C)s1 299780764 BTDSUYRCNDUOQA-QMMMGPOBSA-N 321.402 2.894 0 50 DFAA CN(C)C1(CNC(=O)c2cccc3c2CCC3=O)CCCCC1 584896034 XJVWFLBFHIUHIC-UHFFFAOYSA-N 314.429 2.810 0 50 DFAA Cc1nc([C@H]2CCCN(c3nc(-c4ccccc4)no3)C2)n[nH]1 670451142 QZHQPXPXPUNNTO-ZDUSSCGKSA-N 310.361 2.547 0 50 DFAA Cc1ccc(F)cc1CC(=O)NCc1ccc2nsnc2c1 670460097 CRSGBPDVRWBSBT-UHFFFAOYSA-N 315.373 2.998 0 50 DFAA C[C@H](CNc1nc(Cl)nc2c1cnn2C)c1ccncc1 872474070 BPZMYAZJKLQLHT-SECBINFHSA-N 302.769 2.627 0 50 DFAA Fc1cncc(F)c1CN1CCC(c2noc(C3CC3)n2)CC1 1875271391 BDJXHCPMIBSUKF-UHFFFAOYSA-N 320.343 3.000 0 50 DFAA O=C1NC[C@@H](C2CCCCCC2)C(=O)N1CCc1cccnc1 1875278907 VKHCQACQRJFLMA-INIZCTEOSA-N 315.417 2.763 0 50 DFAA Cc1cc(=N[C@@H](CO)CC2CC2)[nH]c(N(C)c2ccccc2)n1 1875358729 HNPAFAHBXUWNDS-OAHLLOKOSA-N 312.417 2.548 0 50 DFAA COc1nc(NCC[C@H]2CCCCN2CC(C)C)ncc1F 952863246 UIENSHOPKXHVOQ-CYBMUJFWSA-N 310.417 2.937 0 50 DFAA CC1(C)CC[C@H](CCNC(=O)c2csc3cncn23)OC1 887419804 APFMKWOPIHERJL-LLVKDONJSA-N 307.419 2.721 0 50 DFAA CCOCc1nc(C)cc(Oc2ccc(-n3cncn3)cc2)n1 892606445 HVZLSDTXXAOAHG-UHFFFAOYSA-N 311.345 2.695 0 50 DFAA COc1cc(NC(=O)[C@@H]2C[C@@]2(C(=O)O)C(C)C)cc(OC)c1C 899786244 QNQGUEOOZHUPNB-YVEFUNNKSA-N 321.373 2.698 0 50 DFAA CCCn1ncc(NC(=O)N2CC(NC3CCC3)C2)c1C1CC1 1776006393 PFQLKSCBJQCUDE-UHFFFAOYSA-N 317.437 2.529 0 50 DFAA CCC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1433579071 TZFYDASIOOOWCS-NSHDSACASA-N 320.393 2.897 0 50 DFAA FC(F)(F)c1cnc([C@H]2CCCN(Cc3csnn3)C2)[nH]1 278647109 JKGVDPQFNOBXKE-QMMMGPOBSA-N 317.340 2.660 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)c1 170672191 GKPSPKSCTHUJDN-LSDHHAIUSA-N 313.328 2.944 0 50 DFAA Cc1cccc(N2CCC(NC(=O)c3cnc(C)s3)CC2)n1 172248753 UQPSMAUKDWWWNA-UHFFFAOYSA-N 316.430 2.554 0 50 DFAA CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 172434779 BONHCFVKEGMJGQ-INIZCTEOSA-N 312.413 2.712 0 50 DFAA CC(C)n1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 282606238 RDVNHASZNTWZPM-GDBMZVCRSA-N 317.364 2.551 0 50 DFAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc(C)nn1 412240908 AARRKVUUCSVZBY-HNNXBMFYSA-N 310.401 2.526 0 50 DFAA CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccccc1C(N)=O 191007667 YPEQUBJBUZAHRJ-QGZVFWFLSA-N 322.408 2.692 0 50 DFAA O=C(Nc1c[nH]nc1-c1ccccc1F)c1cnc2[nH]cnc2c1 669911559 KIFOMTCZLLBZPJ-UHFFFAOYSA-N 322.303 2.739 0 50 DFAA CCCCN(C)c1ccc(C(=O)N[C@@H](C)c2cc(O)n[nH]2)cc1 585128233 WRKDHXLWPRDAIO-LBPRGKRZSA-N 316.405 2.843 0 50 DFAA CCc1nccn1C[C@H](C)N(C)Cc1nc2ccccc2n1C 1506406915 HMLQAPNXMWNDGO-AWEZNQCLSA-N 311.433 2.853 0 50 DFAA Cc1nc(N2CCC[C@H](CN3CCCC3=O)C2)ccc1Cl 1506426744 IZSVFTFUUPGGTH-ZDUSSCGKSA-N 307.825 2.882 0 50 DFAA CN(C)c1nccnc1NCc1cc(-c2cccc(F)c2)no1 1704302448 LHASXFDPZMAEMO-UHFFFAOYSA-N 313.336 2.949 0 50 DFAA CCn1cncc1[C@H]1CCCCN1C(=O)Nc1conc1C 1616035111 RIGLSNGXPCXRPJ-CYBMUJFWSA-N 303.366 2.959 0 50 DFAA CC(=O)c1ccc(OCc2cc(C(=O)N3CCCC3)no2)cc1 11662292 OJYIKMQWEZQOTL-UHFFFAOYSA-N 314.341 2.692 0 50 DFAA Cc1ccc(-c2cnnc(NCCc3cn4ccccc4n3)n2)o1 12299341 LVSGXYJEVNIVLF-UHFFFAOYSA-N 320.356 2.742 0 50 DFAA COc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cc1 12814324 XHGYHTINDRTYJZ-UHFFFAOYSA-N 322.364 2.509 0 50 DFAA Cc1cccc(CN2CCC(C(=O)NCc3cccnc3)CC2)c1 16606461 UKUXMMSAINONEZ-UHFFFAOYSA-N 323.440 2.918 0 50 DFAA CCn1cncc(NC(=O)Cc2ccc(C3CCC3)cc2)c1=O 1650242255 NXVYFEDSENDIKJ-UHFFFAOYSA-N 311.385 2.712 0 50 DFAA OCCOc1ccccc1-c1nccn1CC[C@H]1CCCOC1 1857679672 PXVNDAYKXXCTSA-OAHLLOKOSA-N 316.401 2.738 0 50 DFAA CC(C)c1nc(CCNC(=O)[C@]2(C)CC23CCNCC3)cs1 1857689546 SAPNKQPYQQMHAK-INIZCTEOSA-N 321.490 2.705 0 50 DFAA O=C(c1cc2ccccc2s1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857701477 QSNSYDZRJUHHNL-XBFCOCLRSA-N 317.410 2.513 0 50 DFAA Cc1cccc2c1CCN2S(=O)(=O)c1csc(C(=O)O)c1 621548521 MWKNLAXVCOMOKN-UHFFFAOYSA-N 323.395 2.506 0 50 DFAA O=C(c1ccccc1)N1CCCN(Cc2ccncc2F)CC1 449017292 YGKDSSAEPGPOCL-UHFFFAOYSA-N 313.376 2.569 0 50 DFAA CO[C@H]1C[C@@H](CO)N(c2ccc3ccc(Cl)c(C)c3n2)C1 343351365 PHXNZRSATWMRSK-STQMWFEESA-N 306.793 2.783 0 50 DFAA Cc1cc(C)c(CNC(=O)Nc2c(C)ccn(C)c2=O)c(C)c1 155301289 STPWMLLLLKQBSO-UHFFFAOYSA-N 313.401 2.941 0 50 DFAA CCN1CC[C@@H](N(C)C(=O)c2nnc(C(C)(C)C)s2)[C@@H](C)C1 390833097 CCHQQVVJIBWMRU-NWDGAFQWSA-N 324.494 2.638 0 50 DFAA COc1cc(NCc2cn(C)nc2C2CCCCC2)ncn1 902181864 MPQZUKFPRVYLSJ-UHFFFAOYSA-N 301.394 2.879 0 50 DFAA CC(C(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C)=C1CCC1 858007912 DBNHPVKHPMCRKP-LSDHHAIUSA-N 303.406 2.504 0 50 DFAA CCOC(=O)[C@@H]1NN=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 52507 OGJZLTVZFUIVRC-DOTOQJQBSA-N 322.364 2.544 0 50 DFAA O=C(c1cccc(Cl)c1)N1CCN(Cc2cccnc2)CC1 19787653 RRFYSZVSTXJJRH-UHFFFAOYSA-N 315.804 2.693 0 50 DFAA C[C@@H]1OC(=O)N[C@H]1C(=O)NCCc1cccc(-c2ccccc2)c1 841405403 SGGWQKIOWJCASB-SUMWQHHRSA-N 324.380 2.509 0 50 DFAA Cc1nc2ccccc2cc1Cn1cc(CC2(N)CCC2)nn1 2325800467 JIZFSABVPQQYKK-UHFFFAOYSA-N 307.401 2.607 0 50 DFAA O=C(Nc1cccc2cnccc12)c1coc([C@@H]2CCCN2)n1 2325856699 ZRKCFCRNRMUAQJ-AWEZNQCLSA-N 308.341 2.900 0 50 DFAA Fc1ccccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 292132 VNNYASBHZWEYAF-UHFFFAOYSA-N 314.360 2.877 0 50 DFAA COc1ccc(C(=O)NCCc2ccc(F)cc2)c(OC)c1 303384 UWCCRDFGNIOXGK-UHFFFAOYSA-N 303.333 2.815 0 50 DFAA biogenic COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc2ccccc12 305466 PGUVIUITIBXEBB-MRXNPFEDSA-N 310.353 2.983 0 50 DFAA O=C(c1cccs1)N1CCN(c2nc3ccccc3o2)CC1 1423463 ICBZCKHMGZAVAK-UHFFFAOYSA-N 313.382 2.852 0 50 DFAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccs1 4164424 XINLOPONHCRJAQ-AWEZNQCLSA-N 307.758 2.814 0 50 DFAA Cc1cc(S(=O)(=O)NCc2ccncc2)c(C)c(C)c1C 4412576 SVGYJVUALWVFNA-UHFFFAOYSA-N 304.415 2.794 0 50 DFAA O=C(O)c1nn2c(C(F)(F)F)cc(C3CC3)nc2c1Cl 5027159 JTRFPJMVOIOIEG-UHFFFAOYSA-N 305.643 2.977 0 50 DFAA O=C(O)c1ccc(CSc2n[nH]c(-c3ccncc3)n2)cc1 6997049 SLMIPMVABKHHHP-UHFFFAOYSA-N 312.354 2.857 0 50 DFAA O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCCCC1 12303649 QKXBIDIKRKKUEA-INIZCTEOSA-N 318.392 2.623 0 50 DFAA O=C(Nc1ccccc1F)N1CCN(Cc2ccncc2)CC1 13324747 FXVOOHLAOIIIIM-UHFFFAOYSA-N 314.364 2.570 0 50 DFAA CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 17017078 FWNPYSRPJFKXGP-CMDGGOBGSA-N 316.382 2.901 0 50 DFAA CN1CCN(Cc2ccccc2OC2CCCC2)C[C@@H]1CCO 22851949 SWGNNMKKODRWQJ-KRWDZBQOSA-N 318.461 2.506 0 50 DFAA COc1ccc2c(ccn2CC(=O)Nc2ccc(CCO)cc2)c1 40268198 HSTQMCWUKRGUPQ-UHFFFAOYSA-N 324.380 2.823 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1C 47976842 PUBKRGVJMJPPDP-AWEZNQCLSA-N 303.406 2.636 0 50 DFAA CCCCn1ncc(C)c1NC(=O)[C@H]1COc2ccccc2O1 55088804 JCOYCNPHDOYIFV-OAHLLOKOSA-N 315.373 2.770 0 50 DFAA CCc1ccc([C@@H]2CC(=O)NCc3nc4c(C)cccn4c32)o1 65407726 QUHRMUMHMKFZQJ-ZDUSSCGKSA-N 309.369 2.950 0 50 DFAA Cc1ccc(NC(=O)CN(C)CCCc2nccn2C)cc1C 65461964 KGPPPACAJUFOLO-UHFFFAOYSA-N 314.433 2.540 0 50 DFAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cn(-c2ccccc2)nn1 72133756 CSNFVEDDCXAQKI-QLFBSQMISA-N 308.385 2.599 0 50 DFAA O=C(N1CCOCC1)N1CCCC[C@@H]1CCc1ccc(O)cc1 72164377 VPYQDFRJIVEKDK-MRXNPFEDSA-N 318.417 2.632 0 50 DFAA CC(C)n1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cn1 77472085 CAOPZMKODJBBBI-MRXNPFEDSA-N 318.396 2.636 0 50 DFAA Cc1cnc(C)c(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 82146346 XDMSAJCFBUVDDB-SFHVURJKSA-N 316.449 2.711 0 50 DFAA CCN(C)C[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@@H]1CO 91468227 VSNBBHKUVRGNQX-WOJBJXKFSA-N 312.457 2.832 0 50 DFAA CCc1ncc(C(=O)NCc2cccc(CN3CCCC3)c2)cn1 95374135 MVQNHNDXOIJQSH-UHFFFAOYSA-N 324.428 2.565 0 50 DFAA CN(C)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 95495665 NMJWPHNWHMPBOP-MRXNPFEDSA-N 312.369 2.742 0 50 DFAA in-vitro CCCN1CCC(CC(=O)N[C@@H](C)[C@H](O)c2ccccc2)CC1 95507863 AAJFUFHBEQMECA-KXBFYZLASA-N 318.461 2.737 0 50 DFAA CC[C@H](C)NC[C@@H](O)COc1cc(C)c2c(c1C)C(=O)CCC2 96028079 YPKNCFXXBAPHAB-DZGCQCFKSA-N 319.445 2.950 0 50 DFAA Cc1cccc(CC2(NC(=O)CC3CCN(C)CC3)CC2)c1 97602363 RESYYGLKVHTZBC-UHFFFAOYSA-N 300.446 2.918 0 50 DFAA Cc1ccc(F)c(-c2ccc(C(=O)N3CCOCC3)cn2)c1 97730213 AIQUCRQNNZJOII-UHFFFAOYSA-N 300.333 2.669 0 50 DFAA O=C(N[C@@H]1C(=O)Nc2ccc(F)cc21)[C@H]1CCc2ccccc2C1 102324740 KKUUKNYLGBPOGZ-GUYCJALGSA-N 324.355 2.740 0 50 DFAA CCn1cc(CN2CCN(c3ccccc3OC)C[C@H]2C)cn1 106958292 XZNBCHUOTMYFJA-OAHLLOKOSA-N 314.433 2.622 0 50 DFAA Fc1ccc(CCN2CCC(N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 121194392 DOTJVHPYJCOYNK-QRVBRYPASA-N 318.436 2.742 0 50 DFAA COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc3cn[nH]c3c1)C2 149519202 VQDKAZWRDCDQCW-CYBMUJFWSA-N 323.352 2.761 0 50 DFAA CC(C)n1c(S)nnc1CCNC(=O)C1=CCCCCC1 153967657 REQFSIPXNZNGOK-UHFFFAOYSA-N 308.451 2.697 0 50 DFAA COc1ccc([C@H]2CCN(CC(=O)Nc3nccs3)C2)cc1 155242342 MXTIIJFRZIWGDZ-ZDUSSCGKSA-N 317.414 2.580 0 50 DFAA O=C(c1cccc(O)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 170593530 HLHIGEIMGXWFMM-KRWDZBQOSA-N 312.369 2.609 0 50 DFAA CCN(C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 176071099 HRFNPVHVTCSGDK-YHWZYXNKSA-N 311.426 2.578 0 50 DFAA C[C@H](C(=O)N(Cc1ccsc1)c1cccnc1)n1cncn1 193508688 LHFLKOAPWSJXGT-GFCCVEGCSA-N 313.386 2.529 0 50 DFAA O=C(N[C@H]1CCc2ccccc21)c1n[nH]nc1-c1ccccc1 206651232 OZIKPZZFVVYNCG-HNNXBMFYSA-N 304.353 2.889 0 50 DFAA O=C(c1cc(CO)ccn1)N1CC[C@H](c2cccc(Cl)c2)C1 219474652 VLSORFGKGABYSI-AWEZNQCLSA-N 316.788 2.857 0 50 DFAA COc1cc([C@@H](O)COc2ccccc2)cc(OC)c1OC 222788334 ZWJKJZNLPNAIIR-AWEZNQCLSA-N 304.342 2.825 0 50 DFAA Nc1nc(C2CC(N)C2)cc(N2CCC(c3ccccc3)CC2)n1 223451114 PAWRXLPHGZVYRB-UHFFFAOYSA-N 323.444 2.648 0 50 DFAA CC1(C)OB(c2cnn(Cc3ccc(Cl)cc3)c2)OC1(C)C 223801303 OENWVTYRFMDHSF-UHFFFAOYSA-N 318.613 2.884 0 50 DFAA CC[C@@H](NC(=O)c1ccc(Cl)cc1Br)C(=O)O 225981846 YECJBIFHYPMPTM-SECBINFHSA-N 320.570 2.696 0 50 DFAA C[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 226807704 IOUGDLVGAMVLPG-JUWDTYFHSA-N 305.380 2.598 0 50 DFAA CN(CCc1ccc(F)cc1)C(=O)c1cccc(C(=O)O)c1 237214271 LEHMFVXTPWNHKE-UHFFFAOYSA-N 301.317 2.839 0 50 DFAA O=C(NC1(C(=O)O)CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 237952390 HXZZCCMBNRGWCO-ZJUUUORDSA-N 313.275 2.542 0 50 DFAA C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C1CCCC1 239762526 CLWUGXRFNYUZBW-HIFRSBDPSA-N 300.468 2.760 0 50 DFAA CCNc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccn1 241587991 OYUUPZMHWVOVEA-BZUAXINKSA-N 317.433 2.669 0 50 DFAA COc1ccccc1[C@@H](C)NC(=O)N1CCN2CCCC[C@H]2C1 242338932 ZDRMIMHHMZHTFL-CABCVRRESA-N 317.433 2.636 0 50 DFAA COC(=O)N1CC[C@H]2CC[C@H]1[C@H]1CCCC[C@H]2N1C(=O)OC 254399381 RERJTUBMHHYGLD-YIYPIFLZSA-N 310.394 2.617 0 50 DFAA C[C@]12C[C@@H](O)[C@@H]3[C@H](C[C@H](O)[C@H]4CCCC[C@@]43C)[C@@H]1CCC2=O 257345958 NTGNMXPYTNTRBO-QOUWSBASSA-N 306.446 2.930 0 50 DFAA O=C(O)[C@@H]1CC12CCN(C(=O)C/C=C/c1ccc(F)cc1)CC2 262500073 YHZYPKRKCNCHFO-YLSAJCSVSA-N 317.360 2.942 0 50 DFAA C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(OCC(=O)O)cc1 263042780 NJWBDGLTGLDUHC-QWHCGFSZSA-N 303.358 2.684 0 50 DFAA CC[C@](C)(CCO)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 272479934 MYWUUMINTVRBIC-IEBWSBKVSA-N 318.461 2.566 0 50 DFAA COc1ccc2c(c1)N(C(=O)c1cc(C3CC3)no1)C[C@H](C)O2 281725261 PLUIATHHVLLZAH-JTQLQIEISA-N 314.341 2.988 0 50 DFAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)/C=C(\C)C2CC2)c1 282661877 YORKGBDDTGLXMD-AHXMNIMASA-N 301.386 2.686 0 50 DFAA Cc1cc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)c(C)n1C 292339517 KLBKROBFPNUTPD-ZDUSSCGKSA-N 303.450 2.588 0 50 DFAA NC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 299738672 FCPDCFSQFFFNEE-JTQLQIEISA-N 321.833 2.884 0 50 DFAA CC(C)(C)c1noc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)n1 299744376 SELQUAFSLJWFTF-TUAOUCFPSA-N 307.394 2.585 0 50 DFAA Cc1nnc(CN2CCC(c3nc(C(C)C)no3)CC2)s1 299786890 RIKHTABOEGALPE-UHFFFAOYSA-N 307.423 2.733 0 50 DFAA C[C@@H]1CN(Cc2ccccc2OC(F)F)C[C@@]2(CCOC2)O1 328588507 HGFNLNWANFSDRF-MLGOLLRUSA-N 313.344 2.668 0 50 DFAA CCNc1cc(-c2nc(C(C)(C)C(=O)OCC)cs2)ccn1 328596187 WLLMQONWXXDSFR-UHFFFAOYSA-N 319.430 3.478 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(OCC2CC2)CC1 376864149 KVEKEPZYNNXZAN-NSHDSACASA-N 305.422 2.548 0 50 DFAA C[C@@H](c1ccc(-c2nc(N(C)C)ns2)cc1)N1CCOCC1 426399324 BOSMTLDVNLSJIR-LBPRGKRZSA-N 318.446 2.664 0 50 DFAA CC[C@H](NC(=O)Cn1c(C)nc2ccccc21)c1ncc(C)[nH]1 426477328 DJIXGXBQAVXQBD-ZDUSSCGKSA-N 311.389 2.644 0 50 DFAA COc1cccc2c1OCCCN(C(=O)c1ccn(C)c1C)C2 426699924 KTKTWFHFORRSLQ-UHFFFAOYSA-N 314.385 2.767 0 50 DFAA Cc1nc2ccc(C(=O)NCC(C)(C)CN(C)C)cc2s1 431178628 AXKGBQUUTZRTKQ-UHFFFAOYSA-N 305.447 2.922 0 50 DFAA Cc1csc([C@@H](C)NC(=O)c2nn(C)c3c2CCCC3)n1 449834254 KOEKYICTFJIJEX-SNVBAGLBSA-N 304.419 2.555 0 50 DFAA O=C(c1ccc(C(F)(F)F)[nH]1)N1CCC(c2cnc[nH]2)CC1 450063742 VVOWDULOAQGZEO-UHFFFAOYSA-N 312.295 2.776 0 50 DFAA CC[C@@](C)(CCNS(=O)(=O)C1CC1)c1ccccc1OC 534585962 XCFJCBJEMFXQSF-INIZCTEOSA-N 311.447 2.835 0 50 DFAA CC[C@H](C)Oc1cc(-c2nc(CCC[S@@](C)=O)no2)ccn1 585120472 PBTKJLOKZNJWTR-KPWVOAKYSA-N 323.418 2.620 0 50 DFAA C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ncco1 585128296 YCJJCAUCBRMWBU-CHWSQXEVSA-N 316.357 2.864 0 50 DFAA Cc1c(NC(=O)c2cccn2C)c(=O)n(C2CCCCC2)n1C 585130277 MAGKQRCVZJHKNH-UHFFFAOYSA-N 316.405 2.591 0 50 DFAA O=C(Nc1ncc(-c2ccccc2F)s1)N1CCC(O)CC1 585140461 FCMZMHFGVOMYBN-UHFFFAOYSA-N 321.377 2.938 0 50 DFAA CO[C@@H]1COCC[C@@H]1CNc1cnc2cc(Cl)ccc2n1 624249965 CDLKECQJSXEAJP-QMTHXVAHSA-N 307.781 2.747 0 50 DFAA CCc1ccnc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)c1 653327973 BWEIXAAAPGMBBI-CABCVRRESA-N 310.353 2.687 0 50 DFAA CC[C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)[C@H](CC)CO1 659327391 NGSCFLQWCOBVMD-INMHGKMJSA-N 302.418 2.637 0 50 DFAA O=C(O)c1cccc(OCCN2CCC(c3ccon3)CC2)c1 659802218 PDNMDNLCSKBZIC-UHFFFAOYSA-N 316.357 2.631 0 50 DFAA CC(C)n1cc2c(n1)[C@@H](NC(=O)Cc1ncccc1F)CCC2 792305473 AZRGVFNFOLEGAS-AWEZNQCLSA-N 316.380 2.734 0 50 DFAA Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](c3ccccn3)C2)c1 798479576 HNQIKWJCJSJRSS-CYBMUJFWSA-N 320.389 2.707 0 50 DFAA C[C@@H](CO)NC(=O)c1ccc(NCC2Cc3ccccc3C2)cc1 811501710 UHLWJONABCPVEK-AWEZNQCLSA-N 324.424 2.624 0 50 DFAA O=C1OCc2c(NCc3ncnn3-c3ccccc3)cccc21 811774561 MZGUKVDUMZVYPX-UHFFFAOYSA-N 306.325 2.550 0 50 DFAA CCn1c(-c2nnc([C@@]3(OC)CCOC3)o2)cc2ccccc21 886085458 HUJINOAHHWRJLI-QGZVFWFLSA-N 313.357 2.973 0 50 DFAA C[C@]1(C2CC2)COCCN1C(=O)c1sc2ncccc2c1N 890590776 RYYAHXAFSCAEPV-MRXNPFEDSA-N 317.414 2.520 0 50 DFAA CC(C)C[C@@H](CC(=O)O)C(=O)N[C@@H]1CCOc2c(F)cccc21 899821573 JHPXCYYPYZZKQK-SMDDNHRTSA-N 323.364 2.903 0 50 DFAA COc1cccc(-c2nc(CN[C@H]3CCNC34CCC4)co2)c1 903471610 KRVWGOLAQHSCEP-INIZCTEOSA-N 313.401 2.724 0 50 DFAA O=C(O)c1ccc2[nH]cc(C3CCN(C(=O)C4CC4)CC3)c2c1 910956629 MDZIYGDYACVJQJ-UHFFFAOYSA-N 312.369 2.982 0 50 DFAA Cc1csc([C@@H](C)NC(=O)c2cc(C(F)F)n(C)n2)n1 931750279 OQBXEMJHCMSJSB-SSDOTTSWSA-N 300.334 2.614 0 50 DFAA COC(=O)[C@H]1CCn2c(nnc2-c2oc3ccccc3c2C)C1 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CC(=O)Nc1ccc(Cl)c(C(=O)O[C@@H](C)c2n[nH]c(C)n2)c1 840323134 HAYFLHGYEYPWQF-ZETCQYMHSA-N 322.752 2.643 0 50 DFAA c1ccc(-c2coc(-c3nc(=NC4CCNCC4)cc[nH]3)c2)cc1 2325796643 ADGFIYXUMQNGLN-UHFFFAOYSA-N 320.396 2.989 0 50 DFAA CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 253710 AWHWYDUFYAMMDU-OAHLLOKOSA-N 313.353 2.889 0 50 DFAA O=S(=O)(NCCc1ccccc1)c1cccc2cccnc12 299555 QICUYIIUAGOVPO-UHFFFAOYSA-N 312.394 2.756 0 50 DFAA O=C(NCc1cccnc1)C1CCN(CC2CCCCC2)CC1 455490 UBLPPDFVIVISEV-UHFFFAOYSA-N 315.461 2.990 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)[C@H]1CCCO1 1054522 SFPXYUTUHAVKMB-BXUZGUMPSA-N 300.358 2.947 0 50 DFAA COc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 1070752 MXOIKHJQLJYDIN-CYBMUJFWSA-N 311.337 2.941 0 50 DFAA CCOc1ccccc1[C@H]1N=C(N)Nc2nc3ccccc3n21 6659193 XVDQINZJJOGIQJ-HNNXBMFYSA-N 307.357 2.722 0 50 DFAA CCOC(=O)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8972177 WJIQHHSCTHHVQD-UHFFFAOYSA-N 310.762 2.965 0 50 DFAA COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCC3)cc1OC 103725208 JFQCCGVELCCPFY-UHFFFAOYSA-N 317.365 2.511 0 50 DFAA Cc1n[nH]c(SCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 55088313 APEQHRDLXMBEBU-IAQYHMDHSA-N 308.451 2.632 0 50 DFAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1ccccc1NC 55244487 LUEOEEIFZKKMFI-CYBMUJFWSA-N 302.374 2.735 0 50 DFAA Cc1nc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cs1 69320364 GBVDDYCBRRJFCX-CYBMUJFWSA-N 305.403 2.611 0 50 DFAA CCOc1cc2c(cc1OCC)CN([C@H]1C[C@@H](C)OC1=O)CC2 229268180 KCWUCCXCGPIXTA-DOMZBBRYSA-N 319.401 2.546 0 50 DFAA O=C(Nc1nnc(-c2cccs2)s1)N[C@H]1CCSC1 63855310 VIIDFFUHBCMRQN-ZETCQYMHSA-N 312.445 2.894 0 50 DFAA CCc1noc([C@@H](C)N2CCC[C@@H](c3nncn3C(C)C)C2)n1 229903631 QMKLZSAAWKJBLG-CHWSQXEVSA-N 318.425 2.745 0 50 DFAA CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cnn(C)c1C 120490113 IRAWTQKFSFQYCU-ZIAGYGMSSA-N 310.467 2.592 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3cccnc3)C[C@H]21 230109486 UJNQMTCFQVUDIK-BZUAXINKSA-N 317.433 2.817 0 50 DFAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(-c2ccco2)cc1 252500311 SRYRSEYFTLQEGZ-ABAIWWIYSA-N 313.357 2.593 0 50 DFAA Cc1ccccc1Oc1ncccc1CNC(=O)c1cnn(C)c1 67691154 MFOBQSJCBYPZOB-UHFFFAOYSA-N 322.368 2.846 0 50 DFAA C[C@@H](CCc1ccccc1)NCC1(CN2CCN(C)CC2)CC1 65394098 KINGXCFRKKQXAD-SFHVURJKSA-N 315.505 2.625 0 50 DFAA Cc1c(C(=O)Nc2ccc(OCc3ccncc3)cc2)cnn1C 354943849 QNADQLJCJFJMGV-UHFFFAOYSA-N 322.368 2.955 0 50 DFAA c1csc(CN(Cc2cncnc2)[C@@H]2CCCNCC2)c1 328632293 LIGRTUPDLQEFHJ-OAHLLOKOSA-N 302.447 2.682 0 50 DFAA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncc(Cl)cn2)cn1 328644838 ZLHGHPUIOKDLDC-YPMHNXCESA-N 320.784 2.619 0 50 DFAA O=C(c1cc(-c2ccccn2)no1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 329526652 TVBLGMDNWPRWIV-XDQVBPFNSA-N 309.369 2.855 0 50 DFAA O[C@@H](CN1CCC(Cc2cccnc2)CC1)CC(F)(F)F 253397627 ANAWZORRJPQQHO-CQSZACIVSA-N 302.340 2.649 0 50 DFAA Cc1c([C@@H]2CCCN2C(=O)Cc2c[nH]c3ncccc23)cnn1C 367284542 DRVBHSHVVRLHHC-INIZCTEOSA-N 323.400 2.511 0 50 DFAA CCOC(=O)C1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1 2538897 UNTBKILIVMRBBY-UHFFFAOYSA-N 317.311 2.583 0 50 DFAA Cc1ccc(N[C@H]2CCCN(C(=O)c3nonc3C)C2)cc1C 12317954 ZRNXLCFKHFQCLP-HNNXBMFYSA-N 314.389 2.712 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)C1 39005148 WLSYDQGCKDPQPL-CQSZACIVSA-N 320.389 2.922 0 50 DFAA CC(C)C(=O)N1CCC(c2nc(-c3cnsc3)no2)CC1 864097118 NXCJYUJCHQGTCK-UHFFFAOYSA-N 306.391 2.555 0 50 DFAA O=C(NCCc1cccnc1)C1(N2CCCCC2)CCCCC1 215031924 AQKQRONJGUHAEI-UHFFFAOYSA-N 315.461 2.929 0 50 DFAA Cc1ccccc1CC[C@@H]1CCCN(CC(=O)NC2CC2)C1 72121811 QBIQECBIJLHUFY-INIZCTEOSA-N 300.446 2.918 0 50 DFAA O=C(c1ccnc2ccncc12)N1CCC[C@@H](OCC2CC2)C1 367491160 RGADIDYRGNMQHY-CQSZACIVSA-N 311.385 2.661 0 50 DFAA CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C1CCNCC1 237088469 KDZKTMJVTCXPII-VXGBXAGGSA-N 310.800 2.793 0 50 DFAA O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)[C@@H](O)C1CCC1 449793153 BDHZLMZRQXAMAS-HNNXBMFYSA-N 311.341 2.922 0 50 DFAA Cc1cc(O[C@@H](C)C(=O)NC2CCN(C)CC2)cc(C)c1Cl 72137461 MRUXMEYPIYGHHQ-ZDUSSCGKSA-N 324.852 2.935 0 50 DFAA c1cncc([C@H]2CN(Cc3ccc(-n4ccnc4)cc3)CCO2)c1 216073084 CCZLENZPWPVIOD-LJQANCHMSA-N 320.396 2.841 0 50 DFAA O=C(COc1ccc(Cl)cc1)NCCC12CCCN1CCC2 219259067 AMLKAAKRHRVMEQ-UHFFFAOYSA-N 322.836 2.854 0 50 DFAA CN(Cc1nc(-c2ccoc2)no1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 241383504 MVVQVAZRZHEWIM-IACUBPJLSA-N 303.362 2.575 0 50 DFAA Cc1nnc([C@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)o1 72454247 DIMGOCMOHCQWCK-NSHDSACASA-N 317.389 2.573 0 50 DFAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2cccc(F)c2)n1 48488360 QTGRYTUTECLDGB-UHFFFAOYSA-N 311.364 2.961 0 50 DFAA Cc1cccc(F)c1NC(=O)NCc1nnc(S)n1C1CC1 134194326 ZAYULYLFYPTIHD-UHFFFAOYSA-N 321.381 2.671 0 50 DFAA CC(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccccn2)no1 72131809 WKBXCGDWPCBVDG-LBPRGKRZSA-N 302.334 2.814 0 50 DFAA CN1CC2(CCN(CCOc3ccc(Cl)cc3)CC2)OC1=O 77453298 CRMRFPRHFFOQDW-UHFFFAOYSA-N 324.808 2.635 0 50 DFAA C=CC(=O)Nc1cc(NC(=O)c2cc(C3CC3)[nH]n2)ccc1F 176732477 KLMWNTNFUZOAGN-UHFFFAOYSA-N 314.320 2.803 0 50 DFAA CC(C)c1cc(C(=O)NC[C@@H]2OCCc3ccccc32)n(C)n1 85532702 PNBZLRXRYIMSLB-KRWDZBQOSA-N 313.401 2.587 0 50 DFAA CNC[C@H]1CCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)C1 179024409 GRYKRUDPISBXHM-OAHLLOKOSA-N 324.428 2.531 0 50 DFAA Cn1ncnc1[C@@H](NC(=O)c1cc2ccccc2cc1O)C1CC1 220451202 LRZDWQKQZUKNDO-INIZCTEOSA-N 322.368 2.555 0 50 DFAA CC(C)Oc1ccc(CCNC(=O)N(C)Cc2ncc[nH]2)cc1 426428253 HSFZNHWJPPRAPL-UHFFFAOYSA-N 316.405 2.581 0 50 DFAA CSCCCN1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 92038867 GUGYGNNMJFYDFO-DLBZAZTESA-N 305.491 2.731 0 50 DFAA Cc1csc(CCCNC(=O)CC[C@H]2CCCN(C)C2)n1 95390222 RHXPWPBVECFQJH-CQSZACIVSA-N 309.479 2.622 0 50 DFAA CNCc1nnc(SCC2CCCCC2)n1C[C@@H]1CCCO1 426415346 LHOBKFJADPXOTH-AWEZNQCLSA-N 324.494 2.849 0 50 DFAA CN(C(=O)Cc1nc2ccccc2[nH]1)[C@@H]1CCOC(C)(C)C1 426647935 OAHGPFXJADWXPT-GFCCVEGCSA-N 301.390 2.521 0 50 DFAA Cc1ccsc1CCNC(=O)[C@H]1CC(=O)OC12CCCC2 97259272 RGKAJUXFHAPMSH-GFCCVEGCSA-N 307.415 2.591 0 50 DFAA CSc1ccc(CC(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)cc1 92028292 LFHZOFRWEPZIFG-LSDHHAIUSA-N 304.459 2.504 0 50 DFAA CCOCC1CCN(C(=O)[C@@H](c2cccc(F)c2)N(C)C)CC1 95374449 QDTFNHYDFJKPBN-QGZVFWFLSA-N 322.424 2.704 0 50 DFAA C[C@@H]1CC[C@H](CCC(=O)N[C@H](CC(=O)O)c2ccccc2)O1 268894605 BYOGKWOTBUVTRE-BPLDGKMQSA-N 305.374 2.666 0 50 DFAA C[C@@H]1CN(CCNC(=O)[C@@H]2CC=CCC2)Cc2ccccc2O1 299764553 JCKOOLDYQMEZTC-HZPDHXFCSA-N 314.429 2.742 0 50 DFAA COCC1(CNC(=O)c2cccc3c(O)cc(C)nc23)CCC1 670449737 RXVFZKUVCOEHBJ-UHFFFAOYSA-N 314.385 2.795 0 50 DFAA CCC[C@H](C(=O)NCCc1cn2ccsc2n1)n1cccc1 670467457 UQQDPYUWGSHANQ-CQSZACIVSA-N 316.430 2.897 0 50 DFAA O=C(NC1Cc2ccccc2C1)[C@H]1CC(c2ccc(F)cc2)=NO1 1875346173 VQGGMQYXGKTUFH-GOSISDBHSA-N 324.355 2.602 0 50 DFAA CNC(=O)c1ccc(NC(=O)c2csc(SC)n2)c(C)c1 952969859 IWTBPXGMWAFKPW-UHFFFAOYSA-N 321.427 2.785 0 50 DFAA CC(C)Cc1cc(C(=O)N2CCc3sccc3C2)nc(O)n1 952965370 RKILPCVOLGAJMR-UHFFFAOYSA-N 317.414 2.641 0 50 DFAA CCn1ccc(C(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)n1 952969926 DIIKXJVLXHRAMC-GFCCVEGCSA-N 312.373 2.671 0 50 DFAA Cc1nc(NC[C@H]2CC(=O)N(C(C)(C)C)C2)c2ccccc2n1 952977623 NUKDCZPOKXPGAT-CYBMUJFWSA-N 312.417 2.997 0 50 DFAA COc1ncc(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)cn1 885237077 KGPZGGTUQNOUSA-CQSZACIVSA-N 311.385 2.894 0 50 DFAA Cc1nc([C@H]2OCC[C@H]2CNc2nc3cccc(F)c3o2)n[nH]1 888100050 BBKXQBFRULEASJ-CABZTGNLSA-N 317.324 2.583 0 50 DFAA CCCCOCC(=O)NCCc1c[nH]c2cnc(Cl)cc12 1775985570 WPGXXRFTXGBKLY-UHFFFAOYSA-N 309.797 2.692 0 50 DFAA CCc1nnc(C[C@@H]2CC[C@H](N[C@H](C)c3cc(C)n(C)n3)C2)o1 1775957990 WPVJPFFDJNBQMC-MCIONIFRSA-N 317.437 2.736 0 50 DFAA C=CC(=O)NCCc1cn2cccc(OCc3ccccc3)c2n1 1775997300 FQEZAYUDXSHJFH-UHFFFAOYSA-N 321.380 2.758 0 50 DFAA Cc1nc(C(=O)N2CCCCC[C@H]2c2ncon2)c(C)s1 170605223 ZJILEVFEJFTVRO-NSHDSACASA-N 306.391 2.900 0 50 DFAA CC(C)(C)c1csc(CNC(=O)NCC2CCOCC2)n1 170927610 LUCWPQITKAXHLU-UHFFFAOYSA-N 311.451 2.666 0 50 DFAA CCc1cnc(CNC(=O)c2cn(C)nc2-c2ccco2)s1 669290409 DFLLEEUMFFACPU-UHFFFAOYSA-N 316.386 2.629 0 50 DFAA Cn1cc(CCNC(=O)[C@@H]2CCCO2)c2ccc(Cl)cc21 189348965 CYURHIVFEFPONK-HNNXBMFYSA-N 306.793 2.669 0 50 DFAA C[C@H](NC(=O)N[C@@H]1C[C@H]2CCCc3cccc1c32)c1nc[nH]n1 225341907 YHOKKAJNTXPVNT-ZKYQVNSYSA-N 311.389 2.730 0 50 DFAA CC(C)n1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)cn1 225680417 IZVUNWZYAUKDGX-CVEARBPZSA-N 317.364 2.551 0 50 DFAA COc1ncccc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 193445530 RNPHVNOFGLCSDY-CZUORRHYSA-N 320.339 2.676 0 50 DFAA COc1ccc2c(c1)OCCN(Cc1ccsc1C(=O)O)C2 652446636 OXTZMHVTTBORNX-UHFFFAOYSA-N 319.382 2.850 0 50 DFAA Cc1cc(N)cc(-c2cccc(CN3CCCS3(=O)=O)c2)c1 665197809 GWYKRBAPNLKNFR-UHFFFAOYSA-N 316.426 2.780 0 50 DFAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)c1cccc(O)n1 1506399339 MALRMPOBMAUENA-UHFFFAOYSA-N 324.384 2.677 0 50 DFAA c1cnc(-c2nc(CNC3CSCCSC3)cs2)nc1 1506417166 LGSDLHVMHMXJJJ-UHFFFAOYSA-N 324.500 2.538 0 50 DFAA Cc1noc(-c2ccnc(NCCCc3csc(N)n3)c2)n1 1529179404 ATSOVKLMUSNTFB-UHFFFAOYSA-N 316.390 2.523 0 50 DFAA CCCCOc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1 1615547285 SRAMCUUOPUYIIJ-UHFFFAOYSA-N 308.403 2.916 0 50 DFAA Fc1ccc2c(c1)OCCC[C@@H]2NCc1cnc2n1CCC2 1616044739 XTVNPHULRLISTA-HNNXBMFYSA-N 301.365 2.972 0 50 DFAA C[C@@H](Cc1cccs1)NC(=O)c1cc(-c2ccccn2)n[nH]1 12147404 FNYXQSPGXHNHHL-NSHDSACASA-N 312.398 2.894 0 50 DFAA CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 13744500 WHUVLMAVFFXULN-CYBMUJFWSA-N 324.446 2.844 0 50 DFAA CC(C)CN1CCN(CCCc2ccccc2)[C@@H](CCO)C1 19953100 OYEZWFOHYRLRTC-IBGZPJMESA-N 304.478 2.644 0 50 DFAA O=C1C[C@H]2CN(c3ccnc4c(C(F)(F)F)cccc34)C[C@H]2N1 1857711251 PTXITPMWQADFMP-JOYOIKCWSA-N 321.302 2.578 0 50 DFAA COc1ccc(CCN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1 262086947 HPFTZYQCOBGKTF-OIISXLGYSA-N 303.402 2.955 0 50 DFAA COCc1ccsc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 378509291 WBUXQEJLTDRPOF-ZDUSSCGKSA-N 321.402 2.522 0 50 DFAA Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2ccc[nH]2)n1 930162847 KNTYIWRRMBPVCL-INIZCTEOSA-N 300.406 2.972 0 50 DFAA Cn1cnc2cc(CNC(=O)Nc3ccc4c(n3)CCC4)ccc21 931674236 GKXBJKSCEAZNEX-UHFFFAOYSA-N 321.384 2.779 0 50 DFAA Cn1nccc1CN1CCC2(CC1)CCN(Cc1ccccc1)C2 253418709 FTOBTNVXRQAKAN-UHFFFAOYSA-N 324.472 2.908 0 50 DFAA CCC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12 1061286 UAUWXBJSLWAANL-UHFFFAOYSA-N 321.380 2.945 0 50 DFAA Cc1nc(C)c2c(n1)O[C@@H](CN1CCCc3ccccc3C1)C2 2100548370 ZCLZBPHHJGLRBR-QGZVFWFLSA-N 309.413 2.845 0 50 DFAA Cc1noc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C(C)C)NC1=O 2325766535 BJDMLTOYFNKQHO-NWDGAFQWSA-N 307.394 2.596 0 50 DFAA O=C(NC[C@H]1CCCO1)c1ccc(Nc2nccs2)cc1F 899908938 HQZJXTHPGBLHHL-LLVKDONJSA-N 321.377 2.935 0 50 DFAA Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccco1 416245 OAIFTZCXGMEVOL-UHFFFAOYSA-N 320.418 2.616 0 50 DFAA CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 558509 KCPUBTGWMRZYJW-UHFFFAOYSA-N 323.396 2.607 0 50 DFAA O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccccc1 2868828 MARXCFURZAQEIW-UHFFFAOYSA-N 317.395 2.715 0 50 DFAA CC(C)c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 4833650 HVEOKHTZCSEUTE-OAHLLOKOSA-N 311.385 2.995 0 50 DFAA COc1ccc(OC)c(NC(=O)Cc2ccccc2C(=O)O)c1 5558524 FAZNRCFFYWYBRT-UHFFFAOYSA-N 315.325 2.583 0 50 DFAA CCCNS(=O)(=O)c1ccc(Br)c(OCC)c1 6747477 UQERFUZKXUAEMT-UHFFFAOYSA-N 322.224 2.536 0 50 DFAA Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 9236771 QMUMRLATNPHOPM-JTQLQIEISA-N 319.361 2.582 0 50 DFAA CN(C)c1ccccc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 12319844 HPPWBOZAEHSMDH-QGZVFWFLSA-N 324.424 2.836 0 50 DFAA O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 14985782 YVONITYANVDOLC-SAAWKEMMSA-N 317.414 2.590 0 50 DFAA O=C1C[C@@H](NCc2cccs2)C(=O)N1c1ccc(Cl)cc1 19790679 CADMAGPVTOMJLW-CYBMUJFWSA-N 320.801 2.823 0 50 DFAA COc1cccc(OC)c1OCCCN1C[C@@H](C)O[C@H](C)C1 20166893 XEXFRABNVIMHEQ-ZIAGYGMSSA-N 309.406 2.582 0 50 DFAA O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccc(F)cc1 22608923 HWZKBZOVAPRLEP-UHFFFAOYSA-N 310.332 2.520 0 50 DFAA COc1cc(OC)nc(Sc2cccc3c2C(=O)O[C@H]3C)n1 34045998 RRKHIAYNPVQKEF-QMMMGPOBSA-N 318.354 2.876 0 50 DFAA in-vitro CCN(CCn1cccn1)Cc1c[nH]nc1-c1ccc(F)cc1 55393122 LBKYDGQIXQXTFP-UHFFFAOYSA-N 313.380 2.934 0 50 DFAA FC(F)(F)[C@H]1CN(c2ccc(-c3ccccc3)nn2)CCO1 71759791 OFKYOVXSEQLLRT-CYBMUJFWSA-N 309.291 2.911 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NCC2(CO)CCCC2)c1 72475462 UVOWDERDQPTWJD-UHFFFAOYSA-N 319.445 2.673 0 50 DFAA CN1CC2(CCN(C(=O)c3ccc4occc4c3)CC2)CC1=O 72481251 QJMDWWMSVWDUEY-UHFFFAOYSA-N 312.369 2.517 0 50 DFAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@@H](c2ncc[nH]2)C1 77485317 PHMNSJGYBOVLMW-GFCCVEGCSA-N 319.792 2.717 0 50 DFAA N[C@@H]1CCN(Cc2ccc(SC3CCCCC3)o2)C[C@H]1O 82120749 KTTTWMKVHJGBMG-HUUCEWRRSA-N 310.463 2.598 0 50 DFAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cnn(C(C)C)c2)C1 91620977 HYLXATPWWHHJQO-MRXNPFEDSA-N 307.394 2.571 0 50 DFAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2=O 95358628 MRHHARHLKYVQDK-JKSUJKDBSA-N 317.433 2.514 0 50 DFAA CC(C)c1nccn1[C@@H](C)C(=O)NCCC12CCCN1CCC2 95522778 TUAKELHQBBRMHJ-HNNXBMFYSA-N 318.465 2.702 0 50 DFAA Cc1ccc(-c2nc(CCO)n(Cc3ccc(F)cc3)n2)o1 96131848 SVTKMZMYRXTMFR-UHFFFAOYSA-N 301.321 2.569 0 50 DFAA Fc1cccc(-c2n[nH]cc2-c2nc([C@H]3CCOC3)no2)c1 96133796 WMARLGIEGUVPKK-JTQLQIEISA-N 300.293 2.770 0 50 DFAA O=C(NCc1ccc(F)cc1F)c1ccccc1-c1nc[nH]n1 97743118 QXQMSXVWVGMXTB-UHFFFAOYSA-N 314.295 2.680 0 50 DFAA Cc1c(Cl)c(Br)cc2c(=O)cc(C(=O)O)[nH]c12 97757473 RVCBJLOFQWBHFQ-UHFFFAOYSA-N 316.538 2.951 0 50 DFAA COc1cc(C(=O)O)cc(C(=O)N2CCC[C@@H](CSC)C2)c1 97773066 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C[C@@H](OC[C@H]1CCCO1)C(=O)NC1(C(F)(F)F)CCCCC1 253424851 LPIMSXBLZPSGHJ-VXGBXAGGSA-N 323.355 2.952 0 50 DFAA O=C(C[C@@H]1CCCCO1)N1CCNC[C@@H]1c1ccccc1Cl 262058564 VSCQAECLVGESNH-XJKSGUPXSA-N 322.836 2.772 0 50 DFAA COc1ccc(OCC2CCN(CCn3cccn3)CC2)cc1 299772658 ACJUFDZMJOPXBZ-UHFFFAOYSA-N 315.417 2.683 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCC([C@H](O)C(F)(F)F)CC1 305148377 SOFBNKCNSGUFDI-LBPRGKRZSA-N 320.286 2.993 0 50 DFAA CC(C)c1cnc(CNC[C@@H]2CCO[C@H]2c2ccnn2C)s1 328654652 XOLLZVMCFWFNMO-BLLLJJGKSA-N 320.462 2.867 0 50 DFAA CC[C@H]1CCCCCN1C(=O)Cc1ccccc1S(C)(=O)=O 332324901 POPLGBNWIPBEIG-HNNXBMFYSA-N 323.458 2.814 0 50 DFAA C[C@H]1CN(C(=O)Nc2ccc(C3CC3)nn2)Cc2ccccc2O1 333465499 QGZWCBLGHMGERH-LBPRGKRZSA-N 324.384 3.169 0 50 DFAA C[C@@H](NCCC1(O)CCC1)c1cccc(N2CCCC2=O)c1 342809230 IQHBFAHFSGUHMT-CQSZACIVSA-N 302.418 2.769 0 50 DFAA O=C1N[C@H](C2CCOCC2)C(=O)N1c1cccc2ccccc12 348656710 DNWAARVBTLKHAG-MRXNPFEDSA-N 310.353 2.691 0 50 DFAA Cc1cccc(NC[C@H]2CCCN2Cc2cnc3cnccn23)n1 362087815 SWDLCRSTQJHTJJ-OAHLLOKOSA-N 322.416 2.509 0 50 DFAA CN(C)Cc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1 363720557 VHAUNIJFAOLVAN-GOSISDBHSA-N 323.440 2.848 0 50 DFAA C[C@H]1Cc2ccccc2N1C(=O)c1cc(Cn2cccn2)on1 368352059 NWOVPQMFWHSJCV-LBPRGKRZSA-N 308.341 2.511 0 50 DFAA O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC[C@](O)(C2CC2)C1 373258220 RPGBKHSFNDNMDC-MRXNPFEDSA-N 304.777 2.808 0 50 DFAA Cn1cccc1C(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 373745017 OVNRMJZSIGRTPB-HNNXBMFYSA-N 322.412 2.927 0 50 DFAA O=C(OCC1CC1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 377342633 LIUMULYUWJWTOO-QGZVFWFLSA-N 307.365 2.599 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2ccc3oc(S)nc3c2)CCO1 408517941 QAJIFFDMLVDPJQ-JTQLQIEISA-N 306.387 2.804 0 50 DFAA CCC(CC)n1nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1C 425069335 UUYHNDHFVODSJK-WMLDXEAASA-N 318.465 2.719 0 50 DFAA CC(C)(C(=O)NC1(c2cc(F)cc(F)c2)CC1)N1CCCC1 426388066 WKILUUURSGZULR-UHFFFAOYSA-N 308.372 2.945 0 50 DFAA CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCCO2)c1ccco1 426477767 RCOXPOLAWDDZJP-HNNXBMFYSA-N 314.385 2.637 0 50 DFAA 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COc1ccc2c(c1)OCCN([C@H](C(=O)O)c1ccsc1)C2 652446762 XIFYEBPZJDTZQW-HNNXBMFYSA-N 319.382 2.777 0 50 DFAA CCO[C@@H]1C[C@H](N[C@H](C)c2nccn2C)[C@@H]1Oc1ccccc1 658336221 PNMNSBZQCZILJM-XBVQOTNRSA-N 315.417 2.696 0 50 DFAA CC(=O)NC(C)(C)C[C@H](C)NCc1nn(C)c2ccc(C)cc12 1506398413 CEARTEUVLWBBJS-ZDUSSCGKSA-N 316.449 2.665 0 50 DFAA CCNC(=O)[C@H]1CCN(c2ccnc3ccc(Cl)cc23)C1 1529168105 VPWHKZDDVJQBMR-NSHDSACASA-N 303.793 2.851 0 50 DFAA C[C@H](Cc1ccc2c(c1)CCCC2)N[C@@H]1C(=O)NCC1(C)C 1462446309 NMXCVLXWKFRVFB-CXAGYDPISA-N 300.446 2.611 0 50 DFAA CCC(CC)(CNC(=O)Cn1ccc2c(N)cccc21)OC 1615613171 GDYZXNSAFBQCOD-UHFFFAOYSA-N 303.406 2.545 0 50 DFAA O=C(Cc1ccsc1)N1CCCN(C2CCSCC2)CC1 1772815715 YQFFLAARFLBVBM-UHFFFAOYSA-N 324.515 2.721 0 50 DFAA c1cncc(COC2CCN(Cc3ccn4nccc4c3)CC2)c1 1775978923 QYDQFHJAYYIALA-UHFFFAOYSA-N 322.412 2.911 0 50 DFAA COc1cc(C=O)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C 5064238 UCPCDIOINZGODM-OCCSQVGLSA-N 305.374 2.581 0 50 DFAA CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13153645 QRNVTWVBMDJUAE-GASCZTMLSA-N 313.353 2.707 0 50 DFAA CCc1ccc(CN2CCN(C(=O)c3ccncc3)CC2)cc1 19789540 IGNZTARSHJOOOW-UHFFFAOYSA-N 309.413 2.602 0 50 DFAA CC(C)Cc1nc([C@H]2CN(C)CCO2)n(-c2cccc(F)c2)n1 1857706226 LHUGTRMJWKAEFG-OAHLLOKOSA-N 318.396 2.608 0 50 DFAA COc1ccc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1O 1857706810 RJHXAXNWQAGOKP-GOSISDBHSA-N 313.401 2.604 0 50 DFAA CC1CC(c2nc(-c3ccc(N4CCC(N)CC4)nc3)no2)C1 843147487 XUUNCLBMYUJJQU-UHFFFAOYSA-N 313.405 2.573 0 50 DFAA Cn1ncc2c(N3CCC[C@@H]3[C@H]3CCCC[C@@]3(C)O)ccnc21 344257896 NWQSWMKXPBQPPH-QGPMSJSTSA-N 314.433 2.878 0 50 DFAA Cc1nc(C)c(CN[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)[nH]1 930084916 DPJCJWDQHACBPY-ZDUSSCGKSA-N 315.343 2.770 0 50 DFAA CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccccc1 98746 SJNHPVYRIWRBDY-UHFFFAOYSA-N 301.346 2.605 0 50 DFAA Cn1c(=O)n(Cc2ccc(C3CCCC3)cc2)c2nccnc21 2325801612 PQWRXBLIAVIVPY-UHFFFAOYSA-N 308.385 2.836 0 50 DFAA COC(=O)CCC(=O)Nc1ccc(C)c(Br)c1 125206 QOFZJNBQKABLMV-UHFFFAOYSA-N 300.152 2.649 0 50 DFAA COc1ccc(OC)c(NC(=O)CSc2nccc(C)n2)c1 419480 NJASIENSUATFKY-UHFFFAOYSA-N 319.386 2.533 0 50 DFAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 4012817 BAHWBLGZSGIKQC-KSSFIOAISA-N 310.397 2.611 0 50 DFAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccncc1 4970422 CQQUHFXLXCARHY-UHFFFAOYSA-N 312.778 2.853 0 50 DFAA CCOC(=O)[C@@H]1CCCCN1Cc1ccc(OC)cc1OC 4977575 GPISQNDHYVQUAU-HNNXBMFYSA-N 307.390 2.621 0 50 DFAA CCOC(=O)C1CCN(Cc2ccc(OC)c(C)c2OC)CC1 4990103 BSJRIUHGJJTIDR-UHFFFAOYSA-N 321.417 2.787 0 50 DFAA CCOC(=O)[C@]1(Cc2ccccc2)C(=O)NC[C@H]1c1ccccc1 6667446 RBOHPTKLNTXRMY-PXNSSMCTSA-N 323.392 2.692 0 50 DFAA CC(C)[C@H](NC(=O)CCSCc1ccc(F)cc1)C(=O)O 55386217 OTZLQSFASIGBQV-AWEZNQCLSA-N 313.394 2.674 0 50 DFAA O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1F 8937439 USUQHXBPKOXDTG-UHFFFAOYSA-N 301.317 2.803 0 50 DFAA COc1cc(-c2nncn2-c2cc(C)ccc2OC)ccc1O 67490294 MVIOWVXECHNNSP-UHFFFAOYSA-N 311.341 2.966 0 50 DFAA O=C(c1cccnc1Cl)N1CCN(Cc2ccccc2)CC1 20522555 ZEWYRTWXHMORON-UHFFFAOYSA-N 315.804 2.693 0 50 DFAA CCn1ccnc1CNC(=O)c1ccc(N2CCCCC2)cc1 223331681 MRXIUDPUGYHXOP-UHFFFAOYSA-N 312.417 2.823 0 50 DFAA Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccon3)cc2)n1 20996082 UMDGSDIVKMKUHV-UHFFFAOYSA-N 310.357 2.749 0 50 DFAA Cc1ccsc1CNc1nc(N)nc2ccc(C(=O)O)cc12 65464489 TVZGAIVMWVFGKG-UHFFFAOYSA-N 314.370 2.892 0 50 DFAA Cc1c(NC(=O)[C@]2(C)CCCCN2)cnn1-c1ccccc1F 423832395 XXQQLLWJGSKTHY-KRWDZBQOSA-N 316.380 2.791 0 50 DFAA CC(C)(C)OC(=O)[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 121673714 DEAQRCZLKWGOAH-VXGBXAGGSA-N 319.323 2.582 0 50 DFAA O=C(N[C@H]1CC[C@@H](C(=O)O)C1)[C@H]1C[C@H]1c1ccccc1Cl 253370436 QWANHJZXPCTTKH-URBCHYCLSA-N 307.777 2.813 0 50 DFAA COc1ccccc1CCC(=O)N1CCC[C@H]1[C@@H]1CCCO1 284607854 IFOQHYFYUKUAIJ-RDJZCZTQSA-N 303.402 2.798 0 50 DFAA CCCCN(C(=O)C[C@@H]1COC(=O)C1)[C@@H]1CCCC[C@H]1OC 328599687 SVJSMQFVNFEYMB-RRFJBIMHSA-N 311.422 2.526 0 50 DFAA C[C@@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)C[C@@H](C)N1 153278846 GQUDAHCFYRSJDZ-GHMZBOCLSA-N 319.792 2.817 0 50 DFAA COCC1(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)CCC1 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DFAA Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)on1 130570070 DWLCXHOOGJUQCY-UHFFFAOYSA-N 313.357 2.780 0 50 DFAA COCc1ccccc1CNC(=O)N[C@H]1C[C@@H](OC(C)C)C1 457674637 QMNZHBUEHGQUFV-IYBDPMFKSA-N 306.406 2.588 0 50 DFAA CC[C@@H]1[C@H](NC(=O)CCc2ccccc2OC)[C@@H]2CCO[C@@H]21 223764279 PTPCFGXRVDOOEZ-IDCJVQTKSA-N 303.402 2.558 0 50 DFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(C)C)C2=O)CC1 177674228 CXLOPFFEENWEAP-GOSISDBHSA-N 315.461 2.516 0 50 DFAA CNC[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 178961406 DCNDFIYXGFYVIJ-SNVBAGLBSA-N 301.217 2.604 0 50 DFAA Cc1nc(C(=O)Nc2nc(CN3CCCCC3)cs2)c(C)o1 292563957 SMKWUSFULPURLY-UHFFFAOYSA-N 320.418 2.986 0 50 DFAA Cc1nccn1[C@@H](C)C(=O)N1CCC(Cc2cccnc2)CC1 426470814 MCBOPMYBYRQTGX-AWEZNQCLSA-N 312.417 2.629 0 50 DFAA CN(C)[C@@H](C(=O)NCCCc1ccco1)c1ccc(F)cc1 95382236 UPNBZKOUHSVGPG-MRXNPFEDSA-N 304.365 2.770 0 50 DFAA O=C(Nc1ccccc1CN1CCCCC1)NC1CCOCC1 95527056 QAGICTTYJLSACO-UHFFFAOYSA-N 317.433 2.973 0 50 DFAA C[C@@H](NC(=O)c1ccc(C(=O)O)cn1)c1ccc(F)c(F)c1 237516074 VZDMESNIOLEDMK-MRVPVSSYSA-N 306.268 2.549 0 50 DFAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1ncoc1C1CC1 97172886 SIIKOCJYEOGGKH-HNNXBMFYSA-N 313.401 2.927 0 50 DFAA CN(CC[C@H](O)c1ccccc1)Cc1nc(C(F)(F)F)no1 244723757 MGTIWZZZZBDGQK-NSHDSACASA-N 315.295 2.644 0 50 DFAA COCC[C@@H]1CCCN(C(=O)CN(C)Cc2ccc(C)cc2)C1 244564077 CMDPOOHHRYBOGI-KRWDZBQOSA-N 318.461 2.702 0 50 DFAA O=C(O)c1cccc(CNC(=O)[C@H]2CCOc3ccccc32)c1 299743517 NYCBZXDHMAMAED-HNNXBMFYSA-N 311.337 2.567 0 50 DFAA CCCCS(=O)(=O)NCc1cc(-c2ccc(C)cc2)on1 534642809 UTQKEDPXQUICHE-UHFFFAOYSA-N 308.403 2.870 0 50 DFAA O=C(NCCCc1ccco1)N1CCC[C@H](c2ncc[nH]2)C1 534634152 SGGGALYVLJAHAA-ZDUSSCGKSA-N 302.378 2.525 0 50 DFAA O=C(Cc1cccnc1)Nc1nnc(-c2ccccc2F)s1 1940196123 LZOBGCJLWHDAFN-UHFFFAOYSA-N 314.345 2.920 0 50 DFAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)Cc3cccc(F)c3)[C@H]2C1 299800736 VHHJIMJMGSLCFH-XYJFISCASA-N 321.392 2.553 0 50 DFAA CCc1oc2c(NC(=O)NC[C@@H]3COCCO3)cccc2c1C 299776402 BDMUEQHSLYFZRT-GFCCVEGCSA-N 318.373 2.841 0 50 DFAA Cc1nc(C)c(CC(=O)NCc2cn3c(C)cccc3n2)s1 827861531 KCKHPBIDOPKILZ-UHFFFAOYSA-N 314.414 2.575 0 50 DFAA O=C(c1cnc(-c2ccco2)s1)N(C1CC1)[C@H]1CCCNC1 1875278106 ZJPYHRSTWRSRKW-LBPRGKRZSA-N 317.414 2.760 0 50 DFAA Cc1sc(C)c(C(=O)N[C@H](C)c2cnn(C)c2C)c1C(=O)O 1875279336 SHFFDSNWHSPULF-SSDOTTSWSA-N 321.402 2.596 0 50 DFAA Cc1cc(NC(=O)C2CCNCC2)cnc1N1CCCC[C@@H]1C 1875315319 PBJOLZQUAXABRC-AWEZNQCLSA-N 316.449 2.707 0 50 DFAA CC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1Cn1cc(-c2ccccc2)nn1 1875323521 KQLIEXRWRYTJMR-HYVNUMGLSA-N 324.428 2.982 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC=CCC4(CC4)C3)n[nH]c21 1875404712 RFULQWCRRUXNCO-NEPJUHHUSA-N 301.390 2.614 0 50 DFAA C[C@@H](Cn1cccn1)C(=O)NC1(c2cc(F)ccc2F)CC1 952965553 DRUMQQILNIPYCX-NSHDSACASA-N 305.328 2.603 0 50 DFAA CO[C@H](C)C1=NN(c2nc(-c3ccccc3)cs2)C(=O)C1 899346397 MGZUOBJMFQEIEE-SNVBAGLBSA-N 301.371 2.938 0 50 DFAA CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)C=C1CCC(C)CC1 170626964 RZTOHHBWAKOGKG-RGPPAHDHSA-N 324.490 2.939 0 50 DFAA CNc1nc(C)cc(C(=O)N2CCCC[C@H]2c2cccn2C)n1 281075401 UAOXWEHFADQJFT-HNNXBMFYSA-N 313.405 2.533 0 50 DFAA OC1(c2nc(-c3ccc4sccc4c3)no2)CCOCC1 225479463 MKJLVBHLBCXLEN-UHFFFAOYSA-N 302.355 2.949 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C2CC2)c2ccc(Br)cc21 639429503 FAIFXSJFDOIXMT-JTQLQIEISA-N 324.174 2.764 0 50 DFAA CCOC[C@@H](NC(=O)c1csc(-c2ccccn2)n1)C(C)C 191006676 KFKHNZGHMZEAHK-CYBMUJFWSA-N 319.430 2.996 0 50 DFAA O=C(O)CC[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 195090812 HBWCXKZJWSHECB-AWEZNQCLSA-N 315.413 2.821 0 50 DFAA COc1ccc(-c2nccc(N3C[C@H](C)C(O)[C@@H](C)C3)n2)cc1 664348486 QWKICBOXQQPEGP-STQMWFEESA-N 313.401 2.605 0 50 DFAA O=S(=O)(CC[C@H]1CCc2ccccc21)NCc1ccoc1 585115701 PICSAYFJHVSIMS-OAHLLOKOSA-N 305.399 2.819 0 50 DFAA O=C(Cc1csc2ccccc12)N1CC[C@@H](n2cncn2)C1 681627122 AINNCIWSUJTBIZ-CYBMUJFWSA-N 312.398 2.509 0 50 DFAA CN(C(=O)/C=C/c1cc(CO)cs1)C1Cc2ccccc2C1 1506418105 QCWCFRCHSCKFHH-VOTSOKGWSA-N 313.422 2.879 0 50 DFAA CCc1ccc(OCCCN(C)CC[C@H]2COCCO2)cc1 1800410908 DDLFBLOTBQWIKW-SFHVURJKSA-N 307.434 2.755 0 50 DFAA CC1(C)CC(N[C@H]2COC[C@H]2Cc2ccncc2)CC(C)(C)N1 1704297996 BIDMIVGUMWQFNC-WBVHZDCISA-N 317.477 2.538 0 50 DFAA COc1cc(OC)cc([C@H](O)CN[C@@H]2C[C@@H]3CCCC[C@@H]32)c1 1616041135 KWVZVLZJMUZRDH-DUOKCRBOSA-N 305.418 2.906 0 50 DFAA Cc1cc(Cl)ccc1OCCN(C)CC[C@@H]1COCCO1 1775980854 DBUHPPDXVQIPNR-OAHLLOKOSA-N 313.825 2.765 0 50 DFAA O=C(c1ccncc1Cl)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775984113 HSUYKFYTBSFFKD-MRXNPFEDSA-N 316.792 2.578 0 50 DFAA C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc3c(c2)CCC3)C1 5611455 ORQWJBOWUUFLIA-RVKKMQEKSA-N 303.446 2.893 0 50 DFAA COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1C 12663266 AHHXQZGGUAPZML-UHFFFAOYSA-N 324.424 2.895 0 50 DFAA CN(C(=O)c1cccnc1)[C@@H]1CCCN(CCc2ccccc2)C1 12707846 AUULQZJLIKGPBY-LJQANCHMSA-N 323.440 2.861 0 50 DFAA Cc1ccccc1OCC(=O)Nc1cccc(C(=O)N(C)C)c1 13626679 MZAMHQLWJBJBLU-UHFFFAOYSA-N 312.369 2.714 0 50 DFAA CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Cl)cc2)C1 15070615 NWXAQHKOENPZAI-ZBFHGGJFSA-N 320.820 2.813 0 50 DFAA Nc1ccc(N2CCOCC2)c([C@@H](O)c2ccc(Cl)cc2)c1 16650300 JBUJBWSQCBZQCE-KRWDZBQOSA-N 318.804 2.841 0 50 DFAA COc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1 19565317 BSWJGQZSUCRJLZ-UHFFFAOYSA-N 310.397 2.653 0 50 DFAA biogenic C[C@H](CN1CCOCC1)OC(=O)c1ccc(Cl)cc1Cl 19799433 AIKMXEUUCZWDSN-SNVBAGLBSA-N 318.200 2.871 0 50 DFAA CCn1cc(-n2ccnc2-c2ccc(OC)c(COC)c2)cn1 1857692563 KRBLVCVWOVEPDS-UHFFFAOYSA-N 312.373 2.911 0 50 DFAA COc1cccc([C@@H](C)CC(=O)N2CC[C@@](C)(C(=O)O)C2)c1 237302171 MMRSPGFHVUSCBU-YVEFUNNKSA-N 305.374 2.512 0 50 DFAA C[C@H](C(=O)Nc1ccccc1Nc1ccccc1)S(C)(=O)=O 128557943 CIQDFMGDEFXQPO-GFCCVEGCSA-N 318.398 2.802 0 50 DFAA COc1ccc(CCN2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1 262086948 HPFTZYQCOBGKTF-PVAVHDDUSA-N 303.402 2.955 0 50 DFAA C[C@H](CCO)NC(=O)c1c(Cl)cccc1Br 585142008 LRFOJOVGVJFWIE-SSDOTTSWSA-N 306.587 2.603 0 50 DFAA Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc(C(=O)O)s2)n1 263251642 SVMAARZYXMXXIB-NSHDSACASA-N 321.402 2.527 0 50 DFAA C=CC(=O)N1CCC(C(=O)N2CC=CCC2)(c2ccccc2)CC1 847682059 CMGQGXLJVZJIBW-UHFFFAOYSA-N 324.424 2.521 0 50 DFAA CN(C)c1ccnc(CNC(=O)Nc2cccc(C3CC3)n2)c1 931554886 QXKXEKWBTABOQN-UHFFFAOYSA-N 311.389 2.742 0 50 DFAA C[C@]1(C(=O)NCc2ccc3c(c2)OCO3)CC1(Cl)Cl 2872848 WUKKOTQOJVTGCJ-GFCCVEGCSA-N 302.157 2.615 0 50 DFAA NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 2860519 NNDQNJBHAMTSMB-UHFFFAOYSA-N 309.291 2.869 0 50 DFAA c1cncc(Oc2ccccc2Cn2cc([C@H]3CCCN3)nn2)c1 2325764878 NWXUIXGTCQXBMY-MRXNPFEDSA-N 321.384 2.938 0 50 DFAA NC(=O)c1sc2c(c1N)[C@H](c1ccccc1Cl)CC(=O)N2 302308 FUKSQWDADGTLSY-ZETCQYMHSA-N 321.789 2.557 0 50 DFAA COc1ccccc1CC(=O)Nc1sc(C)c(C)c1C(N)=O 6726558 WDVRTVZZUFXZOG-UHFFFAOYSA-N 318.398 2.654 0 50 DFAA CCC(CC)n1nc(C)cc1NC(=O)CN1CCCCCC1=O 55253415 LZTGQTVFARPGPN-UHFFFAOYSA-N 320.437 2.894 0 50 DFAA COc1ccccc1CCc1nc(CC2CCN(C)CC2)no1 67489677 OXIPHLCDVMZCQO-UHFFFAOYSA-N 315.417 2.748 0 50 DFAA Cc1ccsc1-c1cn(C[C@H](CO)Cc2ccco2)nn1 67820604 WPSXXTKXSDAVRT-GFCCVEGCSA-N 303.387 2.759 0 50 DFAA CC(C)CN1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO 20254874 WLYIVWHDQLBFND-KRWDZBQOSA-N 316.445 2.957 0 50 DFAA CNC(=O)c1cccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)n1 230182306 QDRIRKZXLRETTQ-YRGRVCCFSA-N 316.405 2.626 0 50 DFAA O=S(=O)(N1C[C@@H]2CC=CC[C@H]2C1)N1CCC[C@H]1c1ccco1 252675812 VDRRKULWBADDCZ-KKUMJFAQSA-N 322.430 2.559 0 50 DFAA C[C@@H](CN(C)C)[C@H]1CCCCN1C(=O)c1ccc(O)c(F)c1 863947645 QJNQBIRHKGOVNV-SWLSCSKDSA-N 308.397 2.724 0 50 DFAA O[C@H](CN1CCC[C@@H]1C[C@@H](O)c1ccco1)c1ccccc1 253421214 RYYRZTAFJJNREL-BRWVUGGUSA-N 301.386 2.901 0 50 DFAA COc1ccnc(N[C@@H](c2ccc(F)cc2)c2ccn(C)n2)n1 253417820 MOVUVLOSDWIQCW-HNNXBMFYSA-N 313.336 2.559 0 50 DFAA Cc1[nH]c2c(CN3C[C@@H]4CC[C@H](C3)C(=O)N4C)cccc2c1C 215368707 IPDARXLCBCQWSQ-CVEARBPZSA-N 311.429 2.837 0 50 DFAA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2)NC(=O)N1 4729073 RXFQNYICSYIWBZ-KRWDZBQOSA-N 321.380 2.631 0 50 DFAA CCN(CC)[C@@H](Cn1ccnc1-c1nccn1C)c1ccco1 72435940 VAOSCMZBDHBDBE-AWEZNQCLSA-N 313.405 2.960 0 50 DFAA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccc(O)c(F)c1 219917807 ZWBUKHQCHPMQQP-IEAZIUSSSA-N 319.376 2.855 0 50 DFAA O=C(OC[C@@H]1CCCCN1CCCCCO)N1CCCCC1 368608848 SKUXTBILGVEGTK-INIZCTEOSA-N 312.454 2.626 0 50 DFAA c1ccc(CCCN2CCCN(C[C@@H]3CCOC3)CC2)cc1 72138744 UTBGCWWMNYNJHS-IBGZPJMESA-N 302.462 2.663 0 50 DFAA Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)nn1 334003040 SNZQAEDJWRIYHO-QGZVFWFLSA-N 323.396 2.609 0 50 DFAA C[C@](O)(CNC(=O)c1cncc2ccccc12)c1cccs1 156505909 ZKDGOOHVLSBIRC-KRWDZBQOSA-N 312.394 2.934 0 50 DFAA CN(Cc1cn(-c2ccccc2)nn1)Cc1noc2c1CCCC2 72130807 DAXCPLDNBQHPSR-UHFFFAOYSA-N 323.400 2.766 0 50 DFAA CC(=O)Nc1ccccc1CN1C[C@H]2[C@@H]3CCCCN3C[C@H]2C1 241837548 SKZBBXZWQMHMQU-LMMKCTJWSA-N 313.445 2.561 0 50 DFAA C[C@H](NC[C@H]1CCC[C@H]1O)c1ccc(N2CCCC2=O)cc1 242346949 ZKMGESZZBHENLM-YSVLISHTSA-N 302.418 2.625 0 50 DFAA Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(C)c1 72437340 MQFZDPQHFRWGKC-UHFFFAOYSA-N 318.398 2.512 0 50 DFAA Cc1[nH]ccc1C(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 289217922 XEAPMWZPDMTCTJ-CYBMUJFWSA-N 301.394 2.932 0 50 DFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1 47988571 FFDBZQVKPCVXIX-UHFFFAOYSA-N 315.417 2.507 0 50 DFAA O=C(O)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)c2ccccc21 177473716 UQVVHLZTSQZDIU-ZDUSSCGKSA-N 306.321 2.997 0 50 DFAA OCCCNc1nc(Nc2ccc(O)cc2)nc2ccccc12 41150165 XSOYBGFWFMMSRP-UHFFFAOYSA-N 310.357 2.873 0 50 DFAA O=C(NCCCc1ncc[nH]1)C1(N2CCCCC2)CCCCC1 426423342 IZEHCTUQLVIGDJ-UHFFFAOYSA-N 318.465 2.647 0 50 DFAA COc1ccc(Cn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 40287924 RKOYLFFHBBFVGF-UHFFFAOYSA-N 322.364 2.976 0 50 DFAA CCCOc1ccc(CNC(=O)[C@@H](C)Br)cc1 41688153 AATHFRFXQRNLSL-SNVBAGLBSA-N 300.196 2.875 0 50 DFAA CCSc1nc(-c2ccc([C@H](C)N3CCOCC3)cc2)n[nH]1 426533738 FQMOWYQADPXMHF-LBPRGKRZSA-N 318.446 2.977 0 50 DFAA Cc1cc(C)c(CNC(=O)N2CCCc3occc3C2)c(O)n1 292189470 BWRFAVZKBSTAFY-UHFFFAOYSA-N 315.373 2.655 0 50 DFAA Cc1ccccc1-c1noc(CNC(=O)Cc2ccccc2)n1 41152393 WIDITTDCGIWFPT-UHFFFAOYSA-N 307.353 2.904 0 50 DFAA CCn1ncnc1[C@@H](NC(=O)c1cn(C)c2ccccc12)C1CC1 222278235 FVUVLDNHSWGOPU-INIZCTEOSA-N 323.400 2.671 0 50 DFAA c1cc([C@H]2CCCN2)sc1-c1nc(C2CCOCC2)n[nH]1 97797366 XFKLYKHKRZXVBG-LLVKDONJSA-N 304.419 2.852 0 50 DFAA CN(C)Cc1csc(CN2CCC(Cn3ccnc3)CC2)c1 97631948 DFKFQHDLHFAQNT-UHFFFAOYSA-N 318.490 2.918 0 50 DFAA Cc1cccc([C@@H](C(=O)N2CC(c3cccnc3)C2)N(C)C)c1 95374221 YMXYNHYWWWGFLR-SFHVURJKSA-N 309.413 2.619 0 50 DFAA CCCc1nc(-c2ccc(-n3ccc(C(=O)OC)n3)cc2)no1 96511492 SRBCTBOOEISBRQ-UHFFFAOYSA-N 312.329 2.661 0 50 DFAA CC[C@H](c1nc(-c2cccnn2)no1)N1Cc2ccccc2C1=O 91587440 WBXLSFJTDSOLFK-CQSZACIVSA-N 321.340 2.634 0 50 DFAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)C1 269292532 VASBYDRMBZOSSZ-XCCSTKFXSA-N 308.372 2.654 0 50 DFAA O[C@@]1(CN[C@@H](c2ccncc2)c2ccc(F)cc2)CCSC1 183696894 FJBRFCCLEZDMGX-IAGOWNOFSA-N 318.417 2.768 0 50 DFAA COc1cc(C(=O)N(C)CCC(=O)O)ccc1OC1CCCC1 299744470 OXUSGRXZYSOQCN-UHFFFAOYSA-N 321.373 2.563 0 50 DFAA Cc1ccc(-n2cnc(C(=O)Nc3cccnc3Cl)n2)cc1 252509049 YBSNCDRFAJOCDA-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA C[C@H]1CCCN1C(=O)c1cc(Br)cc(C(=O)O)c1 263541889 RHSZSAVEFCUPOZ-QMMMGPOBSA-N 312.163 2.772 0 50 DFAA C=Cc1ccc(C(=O)N2CCC(N(C)c3cccnn3)CC2)cc1 185278651 APUFBDNBSKMMGG-UHFFFAOYSA-N 322.412 2.861 0 50 DFAA COC[C@@H]1CCCN(C(=O)CC2CC(C)(C)NC(C)(C)C2)C1 824370207 LDDFBFHIHHNLJP-CQSZACIVSA-N 310.482 2.818 0 50 DFAA CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2ncnc(CC)c2F)C1 271226460 XIJXUBUPXXHOPM-QWHCGFSZSA-N 322.428 2.699 0 50 DFAA CC(=O)Nc1nc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)cs1 271274788 BHPRHDSKBPHVEU-SNVBAGLBSA-N 307.419 2.754 0 50 DFAA O=C(N[C@@H](C(=O)O)c1cscn1)[C@H]1CCCc2ccccc21 1875311186 PIMDKSWRPCNNGD-GXTWGEPZSA-N 316.382 2.505 0 50 DFAA CC[C@H](C)NC(=O)c1ccc(N=c2[nH]cnc3cnccc23)cc1 1875301674 OWBDIRUPLBPPTI-LBPRGKRZSA-N 321.384 2.719 0 50 DFAA CCn1cnnc1[C@H](C)NCc1cc(OC)c(OC)cc1Cl 952991090 OSFCKLZFPNJIMY-JTQLQIEISA-N 324.812 2.819 0 50 DFAA CC(C)=CCN1CCC[C@@H](CNC(=O)c2cccnc2C)C1 952961892 MEXPIEHJQQSJQL-INIZCTEOSA-N 301.434 2.798 0 50 DFAA CC(C)c1[nH]ccc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 1773282995 MOHCQUNXULKNEM-CQSZACIVSA-N 302.330 2.555 0 50 DFAA CCCn1cc(C(=O)Nc2n[nH]c3ccc(OC)cc23)c(C)n1 1335835944 BDHLIWVSFJTCGO-UHFFFAOYSA-N 313.361 2.739 0 50 DFAA CCN1CCO[C@@H](c2nnc(-c3ccc4ccccc4n3)o2)C1 1322053710 YJDLBDXJIOKBQY-OAHLLOKOSA-N 310.357 2.678 0 50 DFAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(F)cc1F)C2 1565527659 DVZVPDNWNDTKIJ-JSGCOSHPSA-N 308.372 2.911 0 50 DFAA CCn1cc(OCC(=O)Nc2cc(Cl)ccc2OC)cn1 170618012 BINMUQWHEFZZDT-UHFFFAOYSA-N 309.753 2.583 0 50 DFAA CCNC(=O)c1ccc(N[C@H](C)[C@H](O)c2ccc(F)cc2)nc1 170604209 CFRRIINQMCFOIE-BZNIZROVSA-N 317.364 2.504 0 50 DFAA COc1cc(NC(=O)c2cccc(OC)c2OC)ccc1O 225499456 WTJGPFKSKGKJCS-UHFFFAOYSA-N 303.314 2.670 0 50 DFAA COc1cccc2c1CC[C@H](NC1CCN(CC(F)F)CC1)C2 192441056 KNHRKZLSQWXHFL-HNNXBMFYSA-N 324.415 2.872 0 50 DFAA CCN(CCn1cccn1)C(=O)[C@@H](C)Nc1c(C)cccc1C 1506405368 BESGSKRXQKBNNS-MRXNPFEDSA-N 314.433 2.849 0 50 DFAA CC[C@@H](Nc1ncccc1C(=O)N1CCCC1)c1ccnn1C 1529158408 CBTCYJMUCBGRPI-CQSZACIVSA-N 313.405 2.614 0 50 DFAA O[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1Cc1ccncc1 1704341202 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1857670065 ODKJXRZKHATQGZ-GOSISDBHSA-N 302.462 2.982 0 50 DFAA O[C@H](c1ccccn1)C1CCN(c2cnc3ccccc3n2)CC1 1857670280 FOLFWEBXLZLJGI-IBGZPJMESA-N 320.396 2.975 0 50 DFAA Cc1nc(N2CCC[C@@H](OCc3ccccn3)C2)c2[nH]ccc2n1 1857683677 ZCMPEFMZOQPKNF-OAHLLOKOSA-N 323.400 2.847 0 50 DFAA O=C(N[C@H]1CCCCC[C@H]1CO)c1c[nH]nc1-c1ccsc1 225442111 LNTOSYHVXPUGRN-FZMZJTMJSA-N 319.430 2.809 0 50 DFAA CCc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@@H]2C[C@@H]32)cc1 229835257 CBDMMLUXXBUSJP-JNNCMOEMSA-N 311.381 2.956 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237533974 OHJNUBDSCVGQFV-KGLIPLIRSA-N 305.374 2.557 0 50 DFAA O=C(CNc1ccccc1Cl)N1CCC[C@@H]1CN1CCCC1 588101646 RKWKFULPXFVLOW-CQSZACIVSA-N 321.852 2.839 0 50 DFAA CC[C@@H](C(=O)O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 263577182 REZUITNHKXKPKO-STQMWFEESA-N 301.745 2.716 0 50 DFAA c1cnnc(N2CCN(CCc3ccc4ccccc4c3)CC2)c1 265171721 DUVMDHSLUDWZEY-UHFFFAOYSA-N 318.424 2.995 0 50 DFAA O=C1CCCCc2cc(C(=O)N3CCC(C(=O)O)CC3)ccc21 908587416 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CN1C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2C1=O 304315 DXEWCLOMLCYAEG-UHFFFAOYSA-N 320.304 2.911 0 50 DFAA CC(=O)O[C@@H]1N=C(c2ccccc2)c2cc(C)ccc2NC1=O 435757 CLCSWKDWCNVVNK-SFHVURJKSA-N 308.337 2.674 0 50 DFAA O=S(=O)(NCc1ccccn1)c1cccc(C(F)(F)F)c1 465716 AGTJVEATSWREIU-UHFFFAOYSA-N 316.304 2.579 0 50 DFAA Cc1nnc(SCC(=O)Nc2ccc(OC(F)F)cc2)o1 611175 NDXXKXRPZQOFRG-UHFFFAOYSA-N 315.301 2.710 0 50 DFAA CCOCCCNc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 2441766 DXLHBTNZCONVOD-GFCCVEGCSA-N 315.373 2.821 0 50 DFAA Cc1nc(-c2ccnn2C(C)C)n(-c2ccc(C(=O)O)cc2)n1 2356140537 MAZHLQUPZAXFKZ-UHFFFAOYSA-N 311.345 2.718 0 50 DFAA COc1ccc([C@@H](C)NC(=O)c2c(C)noc2C)cc1OC 6727146 VMATXVPJZVFAHA-SECBINFHSA-N 304.346 2.800 0 50 DFAA Cc1cnn(CCC(=O)Nc2ccccc2CN2CCCC2)c1 58132514 YFWIZVIIMHRQNF-UHFFFAOYSA-N 312.417 2.816 0 50 DFAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1ccccc1NC 55280872 AZJULHRVDZJACY-HNNXBMFYSA-N 313.401 2.537 0 50 DFAA CC[C@]1(C)Cc2ccccc2-c2[nH]c3n[nH]c(=S)n3c(=O)c21 9137091 YBDPWJXUXGSXQF-MRXNPFEDSA-N 312.398 2.971 0 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COCc1cccc(-c2noc(-c3ccc(C(=O)OC)o3)n2)c1 356108642 OOFWSLNTAGMOGY-UHFFFAOYSA-N 314.297 2.930 0 50 DFAA CN(Cc1ccsc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328653626 WZJHLLATFMPHOG-DOTOQJQBSA-N 318.490 2.997 0 50 DFAA CNC(=O)[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(C)(C)C 1389538 XJLSEZMYJNDTAL-LLVKDONJSA-N 313.854 2.787 0 50 DFAA O=c1c2ccccc2[nH]c(=S)n1-c1ccc2c(c1)OCCO2 2787885 XCMFACYVJLVWJL-UHFFFAOYSA-N 312.350 2.819 0 50 DFAA Cc1cc(C)nc(CCNC(=O)Cc2cccc(Cl)c2)n1 219890609 PXVLGYCRQRELAB-UHFFFAOYSA-N 303.793 2.648 0 50 DFAA Cn1c(CSc2nnc(C3CCC3)n2C)nnc1C1CCC1 329313200 DBWDDHRSDOFZEZ-UHFFFAOYSA-N 318.450 2.771 0 50 DFAA O=C(CCc1nc2ccccc2[nH]1)NC1Cc2ccccc2C1 185753061 JBJGBCLPDVNVTD-UHFFFAOYSA-N 305.381 2.779 0 50 DFAA CCCc1nnc2sc(Cc3ccc4nc(C)[nH]c4c3)nn12 71711965 YNJTTWKACJQKSO-UHFFFAOYSA-N 312.402 2.914 0 50 DFAA Cc1nc(NCCc2csc(C(C)C)n2)c2cnn(C)c2n1 72161472 ILARUDJHDHVDMZ-UHFFFAOYSA-N 316.434 2.906 0 50 DFAA Nc1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cn1 77287598 LVEOBCBFJZJSBS-UHFFFAOYSA-N 313.376 2.898 0 50 DFAA CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C1CCNCC1 237103844 LUWLOKURYMPEQU-UHFFFAOYSA-N 318.808 2.554 0 50 DFAA COc1ccc([C@@H](C)C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237338014 FTBZUQRSAMRFKZ-KGLIPLIRSA-N 319.401 2.902 0 50 DFAA COc1cccc(CCC(=O)N2CCC[C@H](CCC(=O)O)C2)c1 237374799 VQJWGDRBMMWCPV-OAHLLOKOSA-N 319.401 2.731 0 50 DFAA C[C@H](C(=O)O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 237458298 FZRJEEACBGLLPF-ZYHUDNBSSA-N 319.336 2.528 0 50 DFAA O=C(c1ccc(CO)o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71575186 MQKZWWMNZSYMFS-OAHLLOKOSA-N 321.760 2.639 0 50 DFAA CN(C)C/C=C/C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F 493328729 CVJLNYJXLGBJHZ-OOPCZODUSA-N 304.287 2.505 0 50 DFAA Cc1coc(-c2cc(NC(=O)c3ccn(C)c(=O)c3)ccc2C)n1 129810344 KCQVJFGNNJHYJA-UHFFFAOYSA-N 323.352 2.909 0 50 DFAA Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(O)c(F)c2)c1Cl 215690708 NFULRCSAQCEYGL-ZETCQYMHSA-N 311.744 2.718 0 50 DFAA CC(C)N1CCO[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1 241277602 LHMDVEZLZSXDEN-CYBMUJFWSA-N 309.316 2.797 0 50 DFAA c1ccc(Cc2nnc3sc(Cc4cccnc4)nn23)cc1 71759260 CJZWERYRXPCJCK-UHFFFAOYSA-N 307.382 2.762 0 50 DFAA CN1CCCC[C@@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 72431680 GBICZFVMDCRIQE-QGZVFWFLSA-N 318.461 2.604 0 50 DFAA COc1ccc(-c2noc(CNC(=O)OC(C)(C)C)n2)cc1 43179074 LBUGWOQNDCWNMR-UHFFFAOYSA-N 305.334 2.770 0 50 DFAA CCOCC1(CNC(=O)c2cccc(CN(C)C)c2)CCC1 426689341 WJXUFNPTGQCVLK-UHFFFAOYSA-N 304.434 2.685 0 50 DFAA Cc1nn(C)cc1-c1ccnc(NCc2nc(C)c(C)s2)n1 48112467 SGVCGCMFLDKPBR-UHFFFAOYSA-N 314.418 2.871 0 50 DFAA O=C(Cc1noc2ccccc12)N[C@H]1COC2(CCCC2)C1 20454344 AQUJMEDTFSYOGY-GFCCVEGCSA-N 300.358 2.588 0 50 DFAA COCc1nc([C@H](O)c2ccccc2)nn1Cc1ccccc1 95364393 FRRNUIHJSWBRGK-QGZVFWFLSA-N 309.369 2.555 0 50 DFAA O=C(CCSCc1ccccc1)NC1(C(=O)O)CCCC1 244773734 PFLPGZVVWJSKKR-UHFFFAOYSA-N 307.415 2.824 0 50 DFAA O=C(NCC1(Cn2ccnc2)CC1)c1ccccc1OC(F)F 534655207 ALPCGAIPDWLWMG-UHFFFAOYSA-N 321.327 2.695 0 50 DFAA Cc1cc(=O)c(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)cn1C 299778792 NOEBQEXTPXWKRJ-HOCLYGCPSA-N 314.429 2.806 0 50 DFAA Cc1ccccc1OCCC(=O)N1CC[C@H](O)CC(C)(C)C1 395325962 CYIYDAUTAPSEHY-HNNXBMFYSA-N 305.418 2.773 0 50 DFAA CCc1nccn1CCC(=O)N[C@H](C)c1cccc(OC)c1 823557296 KIBPBNCODBJTSK-CYBMUJFWSA-N 301.390 2.722 0 50 DFAA C[C@@H]1CC(F)(F)CN1C(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 1875292502 KDMGMBBZXYLKAX-LDYMZIIASA-N 322.277 2.961 0 50 DFAA COc1cc2c(cc1OC)CCN(C(=O)N(C)CC1CC1)CC2 1875286632 YDIKQHKDFPZJJZ-UHFFFAOYSA-N 318.417 2.566 0 50 DFAA O=C(NCc1ccc2c[nH]nc2c1)c1cc(C(F)(F)F)ccn1 1875317318 UYPHMZGESMTUDF-UHFFFAOYSA-N 320.274 2.907 0 50 DFAA O=C(c1ccc(-c2ccccc2F)cc1)N1C[C@@H](O)[C@H](F)C1 952989272 PSIOPAMGLSQYKF-HZPDHXFCSA-N 303.308 2.648 0 50 DFAA Cc1noc(CCCc2nc(-c3ccc([C@@H](C)O)s3)no2)n1 1776006644 YRYOWOCOWKEOSM-MRVPVSSYSA-N 320.374 2.718 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C 899785570 IBKIZOJHDFPGPK-HSMVNMDESA-N 305.374 2.762 0 50 DFAA c1ccc(-c2ncc(CN3CCO[C@H]4CCCC[C@@H]43)cn2)nc1 1565513096 JFFGDZHTUSWUFA-IRXDYDNUSA-N 310.401 2.682 0 50 DFAA O=S(=O)(Nc1ncccn1)c1cc(Cl)cc(Cl)c1 170594957 SUUKAADAPGQIKA-UHFFFAOYSA-N 304.158 2.584 0 50 DFAA Cn1cc(CNc2ccc(C(=O)N[C@@H]3CC=CCC3)cc2)cn1 585129507 MBYGEAUQIILPAP-QGZVFWFLSA-N 310.401 2.871 0 50 DFAA CCOc1cccc2[nH]cc(CC(=O)NC3(C)CCOCC3)c12 189585299 UFKVWUKYNJPUJW-UHFFFAOYSA-N 316.401 2.794 0 50 DFAA Cn1nc(C2CCCC2)cc1NC(=O)c1cn(C(C)(C)C)nn1 190117140 YDBCPPJPCCSFCS-UHFFFAOYSA-N 316.409 2.677 0 50 DFAA CN(C)[C@@H](CNc1ccnc2c(F)cccc12)c1cnn(C)c1 225589783 AJYQXIPNRRSRHJ-INIZCTEOSA-N 313.380 2.822 0 50 DFAA COCCCOC1CCN(C(=O)c2ccoc2Cl)CC1 192393024 OOLPMXXGXQFSHE-UHFFFAOYSA-N 301.770 2.591 0 50 DFAA COC(=O)c1ccc(CNc2ccc(C(=O)NC3CC3)cc2)o1 192985029 GJFMGMSBPKVPDH-UHFFFAOYSA-N 314.341 2.571 0 50 DFAA Cc1ccccc1OCCCNC(=O)C1CCC(C(=O)O)CC1 194409659 KBSOVPQTVSRXBA-UHFFFAOYSA-N 319.401 2.771 0 50 DFAA CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 194662454 PTXFUUYAHDNVNV-CQSZACIVSA-N 318.465 2.730 0 50 DFAA C[C@@H]1C[C@H](NC(=O)N2Cc3cc(F)c(F)cc3C2)CN1C1CC1 654482000 URTRTUJOKOBNOI-MFKMUULPSA-N 321.371 2.615 0 50 DFAA CCCN(C(=O)c1cc(CC(C)C)nn1C)[C@H]1CCCC[C@@H]1O 211962913 MAWUWLLJZKROHM-RDJZCZTQSA-N 321.465 2.774 0 50 DFAA CSc1ccc(CC(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cc1 222231848 LFHZOFRWEPZIFG-CABCVRRESA-N 304.459 2.504 0 50 DFAA O=C([C@@H]1CCc2cccc(O)c21)N1C[C@@H](F)C[C@H]1C(F)(F)F 1615548906 JSGNRBZUZINANE-UMNHJUIQSA-N 317.282 2.923 0 50 DFAA CCCC(CCC)C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615958616 HCCDZXMTGVVKNX-IRXDYDNUSA-N 304.434 2.972 0 50 DFAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCNC[C@H]1F 1616039946 ZZUZIRLOQCANJL-QZTJIDSGSA-N 312.388 2.712 0 50 DFAA c1cncc([C@@H](CNc2ncnc3cc[nH]c23)N2CCCCC2)c1 1772817940 JUEQTUCGQVHVMO-MRXNPFEDSA-N 322.416 2.992 0 50 DFAA CN1CCN(c2ccccc2NC(=O)c2cccs2)CC1 5050347 YHMVPFIJFSORJL-UHFFFAOYSA-N 301.415 2.752 0 50 DFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1 5155014 SWVFOXROTYEIPG-UHFFFAOYSA-N 323.805 2.717 0 50 DFAA COc1cccc(CN2CCN([C@@H](C)C3CCC3)CCC2=O)c1 12451321 VKZNPIUYBHPYJV-HNNXBMFYSA-N 316.445 2.918 0 50 DFAA O=C(NC1CCCC1)C1CCN(C(=O)c2cccc(F)c2)CC1 12863698 YIMPIORHHDVBSQ-UHFFFAOYSA-N 318.392 2.737 0 50 DFAA Cc1nn(C)c(-c2nnc(S)n2Cc2ccco2)c1Cl 13144265 JODOZYOWIQVMQJ-UHFFFAOYSA-N 309.782 2.570 0 50 DFAA O=C(N[C@H]1CCCN(C2CCCCCC2)C1)c1ccncc1 15063885 LXCJSUQHZCCYBN-INIZCTEOSA-N 301.434 2.999 0 50 DFAA CNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 16015864 NBTOXAMONHJMEJ-ZDUSSCGKSA-N 312.369 2.761 0 50 DFAA Cc1cc(COCC(=O)N2CCCc3c(C)ccc(F)c32)no1 1647635497 JIUDQXMNMFCKGL-UHFFFAOYSA-N 318.348 2.927 0 50 DFAA OC[C@H]1C[C@@H]2OCCN(Cc3cccc(C(F)(F)F)c3)[C@H]2C1 1857717096 JLZXOGVOPLYTSF-SNPRPXQTSA-N 315.335 2.677 0 50 DFAA O=C1C[C@]2(CCSC2)C(=O)N1CCSC1CCCCC1 328589326 NPAOTASIHXGXCE-HNNXBMFYSA-N 313.488 2.935 0 50 DFAA Cn1c(C(=O)N(CC(=O)O)C2CC2)c(Cl)c2ccccc21 237708655 VBWJXLLJLKWWNQ-UHFFFAOYSA-N 306.749 2.521 0 50 DFAA CO[C@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)[C@@H](C)C1 240744039 HUAUISBFTQDWLI-ZFWWWQNUSA-N 323.400 2.795 0 50 DFAA Cn1c(-c2nc(-c3cccnc3)no2)cc2ccccc2c1=O 349751099 SMRMFPHLDFJCLF-UHFFFAOYSA-N 304.309 2.651 0 50 DFAA C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC(C)(C)C1 375227754 GZWPXKYOBKEBME-UZMCECQYSA-N 306.450 2.622 0 50 DFAA CC1(C)C[C@H](O)c2cccc(NS(=O)(=O)c3ccco3)c2O1 901961339 DIKXYSPWODEBOV-LBPRGKRZSA-N 323.370 2.675 0 50 DFAA C[C@@H]1CN(Cc2cc(C(=O)O)co2)CCN1c1ccccc1 903957613 OYJCSFUWBDSSSZ-CYBMUJFWSA-N 300.358 2.689 0 50 DFAA CCSCCN1CCC[C@@]2(CCc3cnc(N(C)C)nc32)C1 1704338585 VUKGGMPZRUPPSE-QGZVFWFLSA-N 320.506 2.576 0 50 DFAA CCN(C(=O)[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 824637049 HNPZJMKQBPPIHJ-AWEZNQCLSA-N 320.458 2.629 0 50 DFAA CCc1nn(C)cc1NC(=O)NCCc1ccc2ncccc2c1 930693198 GWHOILHIDFLKRF-UHFFFAOYSA-N 323.400 2.895 0 50 DFAA COc1cc(CNCc2ccc3c(c2)OCO3)cc(OC)c1 263771 KWKGEXRLSPKSQX-UHFFFAOYSA-N 301.342 2.722 0 50 DFAA CCc1nc(O)ccc1C(=O)NCCc1csc(C(C)C)n1 2100543303 OZXAWGUWTAXTJO-UHFFFAOYSA-N 319.430 2.902 0 50 DFAA C[C@]1(C(=O)N2CC=C(c3cccc(F)c3)CC2)CC[C@H](N)C1 2325795398 DERVLLXUUKFYTL-WMZOPIPTSA-N 302.393 2.959 0 50 DFAA Cc1ccc(F)c2[nH]c(C(=O)N[C@H](CC3CC3)C(=O)O)cc12 864131848 DFXDAVJGERHEEO-CYBMUJFWSA-N 304.321 2.599 0 50 DFAA CSc1ccccc1C(=O)NCCc1nc(C)cc(C)n1 20861300 PBGPFPKKZUFYSU-UHFFFAOYSA-N 301.415 2.788 0 50 DFAA CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(C(C)(C)C)c1 402426 YFTSQDDHCUZGIJ-UHFFFAOYSA-N 308.330 2.760 0 50 DFAA N=c1nc2c(c[nH]1)CC[C@@]21CCCN(CCCc2ccccc2)C1 2356144771 LHMINDCXHXGWHC-HXUWFJFHSA-N 322.456 2.802 0 50 DFAA CCCC(=O)Nc1ccccc1-c1nn2c(C)nnc2s1 4487037 XGYKUUBPCAVQCP-UHFFFAOYSA-N 301.375 2.900 0 50 DFAA Cc1cc(Br)cc(C(=O)N[C@H](C)[C@H](C)CO)c1 134957483 KNUNJESXURARSZ-NXEZZACHSA-N 300.196 2.504 0 50 DFAA CC(=O)Nc1cccnc1NC(=O)c1noc2c1CCCCC2 135251771 QSTZODBZCWUQBX-UHFFFAOYSA-N 314.345 2.549 0 50 DFAA CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccsc1 170615662 ATUKECAFIIFMQG-CQSZACIVSA-N 306.412 2.859 0 50 DFAA Cc1nc(NCc2noc([C@@H]3CCCO3)n2)c2ccsc2n1 55403861 VWTCUBVWRTYRKL-JTQLQIEISA-N 317.374 2.846 0 50 DFAA COc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101219733 VIFMFBHTJUIBPY-QILLFSRXSA-N 314.429 2.642 0 50 DFAA CC(C)N1CC[C@H](CNC(=O)c2cc(-c3ccccc3)on2)C1 63835207 NUWWXBYDZHERKF-CQSZACIVSA-N 313.401 2.802 0 50 DFAA C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC(C)(C)C1 421618649 XAQSUZLIMCQUGR-TUVASFSCSA-N 308.466 2.857 0 50 DFAA O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CC[C@@H](N2CCCC2)C1 229889456 BHIIXFCZWKZZDX-IXDOHACOSA-N 302.393 2.626 0 50 DFAA CCOc1ccccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 20118243 FLULCCXCAOBRJE-HZPDHXFCSA-N 323.433 2.590 0 50 DFAA C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCCO1 121063646 WHQYXCZFQOEUCG-RYQLBKOJSA-N 316.445 2.725 0 50 DFAA CCc1nc(C)c(C(=O)NCc2cc3cc(OC)ccc3[nH]2)o1 67714067 ZEGPDQLICVJWTB-UHFFFAOYSA-N 313.357 2.965 0 50 DFAA C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1c1ncon1 123351062 DWGYRFMEFPXULM-SMDDNHRTSA-N 319.336 2.730 0 50 DFAA O=C(NC[C@@H]1CCOCO1)c1cc2c(ccc3ccccc32)[nH]1 154472536 XTYGOMLFLDACPF-ZDUSSCGKSA-N 310.353 2.814 0 50 DFAA Cc1cc(C)n([C@H](C)CC(=O)NCc2nnc(C(C)C)s2)n1 332354476 WDECLCHJYUGUDH-GFCCVEGCSA-N 321.450 2.742 0 50 DFAA Cc1noc(Cl)c1CC(=O)N1CCO[C@@]2(C[C@H]3CC[C@H]2C3)C1 367102984 XYZHVJJZEZMLOV-MKBNYLNASA-N 324.808 2.597 0 50 DFAA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCN(C)CC1 72137459 XBRBFCCQOPJADM-CQSZACIVSA-N 318.461 2.962 0 50 DFAA N[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccn3)cs2)C1 238029213 DLKMNOFFWIZBIT-MNOVXSKESA-N 302.403 2.661 0 50 DFAA C[C@@H](NC(=O)Nc1ccsc1)C(=O)NCc1ccccc1 157206056 DEHLDZUGFMPYMM-LLVKDONJSA-N 303.387 2.575 0 50 DFAA CN(CCCN(C)Cc1ccco1)Cc1ccc(C(=O)O)cc1 263413529 MGTDNXNDICELJZ-UHFFFAOYSA-N 316.401 2.932 0 50 DFAA COCc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)O)c2)o1 263348072 USLARGQQXKHPIE-JTQLQIEISA-N 303.314 2.866 0 50 DFAA CNc1snc(C)c1C(=O)N(C)Cc1ccccc1N(C)C 290698501 SMKUGYSTJVZDPN-UHFFFAOYSA-N 318.446 2.831 0 50 DFAA CCc1cccc(OCCN(C)C(=O)[C@H]2CC[C@@H](C(=O)O)C2)c1 426649750 SJIWIBKHFTWLPG-LSDHHAIUSA-N 319.401 2.587 0 50 DFAA O=C(CCc1ccoc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 180124835 PZKRNYGUWUQVOO-CJNGLKHVSA-N 321.323 2.825 0 50 DFAA CCCn1cnnc1[C@H](C)NC(=O)c1ccc(C)n1C(F)F 426724009 PXAQYJYPPSWWCI-JTQLQIEISA-N 311.336 2.684 0 50 DFAA Cc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccco3)C2)o1 95362947 SJWYAMNVFIXQLH-OAHLLOKOSA-N 316.401 2.752 0 50 DFAA COc1ccccc1N1CC[C@@H](Nc2ccc(C(C)=O)cn2)C1 181212948 YSHFZIHKBBRCTR-OAHLLOKOSA-N 311.385 2.984 0 50 DFAA O[C@]12CCCC[C@H]1CN(Cc1cccc(-n3cccn3)c1)CC2 97694950 YPRSHNJCKRJAAL-HKUYNNGSSA-N 311.429 2.999 0 50 DFAA CCc1nc(C)sc1Cn1cc(-c2cn(CC)nc2C)nn1 91872473 ACSQDKGHPLNZRP-UHFFFAOYSA-N 316.434 2.846 0 50 DFAA O=C(c1ccc(-c2ccc3ncccc3c2)nc1)N1CCOCC1 97480456 RRCYIEFARYWBDD-UHFFFAOYSA-N 319.364 2.769 0 50 DFAA C[C@@H]1CCCCN1C(=O)COc1ccccc1-c1nnco1 183014571 AHESSJRHJDXKMW-GFCCVEGCSA-N 301.346 2.516 0 50 DFAA COc1cccc(OC2CN(C(=O)NC[C@H]3CC3(C)C)C2)c1 534638701 QESUAVLKKHPNAZ-GFCCVEGCSA-N 304.390 2.514 0 50 DFAA CSCc1nc(CNC(=O)C[C@@H](C)n2ccnc2C)cs1 299799719 YYKCFOJEASCSFV-SNVBAGLBSA-N 324.475 2.779 0 50 DFAA CCCCn1nccc1NC(=O)N1CC(N2CCCC[C@H]2C)C1 299790056 AOZQHHYCEVEBSG-CQSZACIVSA-N 319.453 2.774 0 50 DFAA CCc1c(C)nn(CCNC(=O)Cc2cccc(F)c2F)c1C 299791570 GRDJQYYITACXGG-UHFFFAOYSA-N 321.371 2.699 0 50 DFAA CCN(CC1CCOCC1)C(=O)Nc1cccc(C(=O)OC)c1 299767891 XNCPZEWFEMBFSL-UHFFFAOYSA-N 320.389 2.754 0 50 DFAA CC[C@@H](NC(=O)NCC1(O)CCCCC1)c1ccc(O)cc1 584884829 YHQCYRVMBNDKNF-OAHLLOKOSA-N 306.406 2.838 0 50 DFAA CCC[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)C(C)C 270663380 OUGFOTHRVLFOAS-SJORKVTESA-N 316.445 2.976 0 50 DFAA O=C(NCCc1nc(C2CC2)no1)C1=Cc2ccccc2OC=C1 670458022 NWSOLCGDKZCCFQ-UHFFFAOYSA-N 323.352 2.595 0 50 DFAA CC(=O)Nc1ccc(C)cc1NC(=O)c1ccn(C(F)F)n1 678831878 YWJKZJRIMTWGPT-UHFFFAOYSA-N 308.288 2.797 0 50 DFAA O=C(NC[C@H]1CCCN(c2ccncc2)C1)c1cccs1 952980357 XAFOEQYFYUJMCO-CYBMUJFWSA-N 301.415 2.790 0 50 DFAA O=C(c1ncc2ccccc2c1O)N1C[C@H]2C[C@]2(C(F)(F)F)C1 888092882 NDFFVPYDWSSCJN-BMIGLBTASA-N 322.286 2.965 0 50 DFAA Cc1ccc(N2CCC[C@@H](Nc3cc(C(F)F)ncn3)C2)nn1 892348513 KVOGRDWYESEURR-LLVKDONJSA-N 320.347 2.594 0 50 DFAA O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC[C@@]2(CCOC2)C1 185975369 RNFHZCCUAVXNSG-QGZVFWFLSA-N 312.373 2.721 0 50 DFAA COC(=O)c1sc(N2CC[C@@H](OC(C)(C)C)C2)nc1Cl 170601943 OUYDZZYVFPPUJG-MRVPVSSYSA-N 318.826 2.977 0 50 DFAA CC[C@@]1(C)CN(C(=O)N[C@H]2CCOc3ccccc32)CCO1 170604072 UKNQANXCOVPVEC-YOEHRIQHSA-N 304.390 2.721 0 50 DFAA CCOc1ccc(NS(=O)(=O)C[C@@H](OC)C2CC2)c(C)c1 585089158 PSCVQWFRMWLFLT-OAHLLOKOSA-N 313.419 2.560 0 50 DFAA O=C(c1ccco1)N1CCN(Cc2ccc3c(c2)CCC3)CC1 172284659 HKKPHAYWYRWSIA-UHFFFAOYSA-N 310.397 2.726 0 50 DFAA Cc1ccccc1OCCN1CCNC(=O)C[C@@H]1c1ccccc1 225532364 YUYGPIMOZGEMBX-GOSISDBHSA-N 324.424 2.937 0 50 DFAA O=C(O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccco2)nc1 642208137 MTESFEFLZFQSAB-INIZCTEOSA-N 322.320 2.892 0 50 DFAA COCCc1nsc(NCc2ccc3ncccc3c2)n1 193004245 XGRFPNUFWAQRPF-UHFFFAOYSA-N 300.387 2.887 0 50 DFAA CCc1noc2ncc(C(=O)N3CCn4cccc4[C@H]3C)cc12 194686321 JDMOYEZIRRZVNE-LLVKDONJSA-N 310.357 2.804 0 50 DFAA COCc1nc(-c2nc(C3(c4ccncc4)CCC3)no2)co1 656034824 NNZCEWIYVHFBMX-UHFFFAOYSA-N 312.329 2.736 0 50 DFAA CN(CC[C@H]1COCCO1)Cc1ccc(C(F)(F)F)cc1 1800412221 WLCVLNJSTDBYBG-AWEZNQCLSA-N 303.324 2.943 0 50 DFAA COc1ccc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cc1F 1704309579 XMSXMCWWYQRUSA-KRWDZBQOSA-N 323.408 2.730 0 50 DFAA CCCC[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H](C2CC2)O1 1615738416 PFCNVASIXHMUHM-ROUUACIJSA-N 316.445 2.955 0 50 DFAA CC(C)N1C[C@@H]2OC(=O)N(CCCc3ccc(F)cc3)[C@@H]2C1 1615633342 KPDROQUGQFBGSP-CVEARBPZSA-N 306.381 2.672 0 50 DFAA CCn1c(SC[C@@H]2CCCCNC2=O)nnc1-c1ccco1 1616036805 YKMFSZQCKWZWLD-NSHDSACASA-N 320.418 2.566 0 50 DFAA O[C@H]1CN(c2ccncc2)C[C@H]1Cc1ccnc2ccccc12 1857721132 AKQKTXQMQYVOFW-BEFAXECRSA-N 305.381 2.670 0 50 DFAA O=C(N[C@H]1CCCCC[C@@H]1CO)c1c[nH]nc1-c1ccsc1 225442136 LNTOSYHVXPUGRN-RISCZKNCSA-N 319.430 2.809 0 50 DFAA CCNCC1CCN(C(=O)c2ccc3c(c2O)CCCC3)CC1 422887837 LNHYEPVQEDQJBU-UHFFFAOYSA-N 316.445 2.733 0 50 DFAA Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2ccncc2)cc1 119864249 AWZCHFCDFBMYSK-HUUCEWRRSA-N 318.442 2.903 0 50 DFAA CN(C)C(=O)c1cc(NC(=O)c2cc(F)cc(Cl)c2)ccn1 362525323 RUFVUGBYLZCCCR-UHFFFAOYSA-N 321.739 2.828 0 50 DFAA CC1(C(=O)O)CCN(c2nc(C3CC3)nc3[nH]ccc23)CC1 900962104 MCYDODIXTIADHY-UHFFFAOYSA-N 300.362 2.526 0 50 DFAA FC(F)CN1CCC(Cc2nc(-c3cnsc3)no2)CC1 904132854 DMVZCYUTNXUSCC-UHFFFAOYSA-N 314.361 2.713 0 50 DFAA CC1CCN(C(=O)COc2ccc([C@H]3CCCN3)cc2)CC1 905616289 CUXVUJSUFBOCNX-QGZVFWFLSA-N 302.418 2.748 0 50 DFAA O=C(c1cc(C(F)F)ncn1)N1CCCC[C@@H]1c1ncc[nH]1 931225875 JCFOZTDMHXWNLR-LLVKDONJSA-N 307.304 2.505 0 50 DFAA O=C(N=c1cc[nH]cc1F)N1CCO[C@@H](c2ccccc2)CC1 1263641393 PATPIJZUFOLUDG-MRXNPFEDSA-N 315.348 2.638 0 50 DFAA O=C(N1CCC[C@](O)(c2ccccc2)C1)C1(C(F)(F)F)CC1 862803989 RJENKKYKDNNIRY-OAHLLOKOSA-N 313.319 2.839 0 50 DFAA C[C@H](C(=O)O)N(C(=O)c1csc(Br)c1)C1CC1 262415859 KCCRJGQDUXWPOZ-ZCFIWIBFSA-N 318.192 2.588 0 50 DFAA CC[C@H](N)CCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 2325795648 RHDDPYZKKICVBK-AWEZNQCLSA-N 300.406 2.945 0 50 DFAA COC(=O)c1nccc2c(NCc3nc(C)cn3C)cccc12 2325860753 SKPGOKTXWVFCTD-UHFFFAOYSA-N 310.357 2.675 0 50 DFAA CN(C(=O)C12CC1C2)[C@@H](Cc1ccc(F)cc1)c1nccn1C 2325898051 QSCXJTVLUZEQNY-DBQDNQAGSA-N 313.376 2.711 0 50 DFAA NC1=Nc2nc3ccccc3n2[C@@H](c2cc(F)c(F)cc2F)N1 128947043 HPZJXNJZOUTAMF-ZDUSSCGKSA-N 317.274 2.550 0 50 DFAA CCSc1nnc2c(n1)O[C@H](C)N(C(C)=O)c1ccccc1-2 206163 PEQLWCLQBCCQNG-SNVBAGLBSA-N 316.386 2.742 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)ccc1OC 469611 JMVZPYLTRRMTEU-CYBMUJFWSA-N 324.764 2.540 0 50 DFAA O=C(NC(=S)N1CCCC[C@H]1c1cccnc1)c1ccco1 488593 WTFCQPFPKUZTMH-ZDUSSCGKSA-N 315.398 2.917 0 50 DFAA biogenic CC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3)nc2C1 620078 RCCMCGBQXZHEHI-UHFFFAOYSA-N 315.398 2.708 0 50 DFAA O=C1C[C@H](c2ccccc2)Cc2nc(NC[C@@H]3CCCO3)ncc21 4736664 PRQOGNNECLSKMA-CABCVRRESA-N 323.396 2.980 0 50 DFAA S=C(NC[C@H]1COc2ccccc2O1)Nc1ccccc1 4812466 PNXZASNIXZQSIR-ZDUSSCGKSA-N 300.383 2.813 0 50 DFAA CSc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 5034705 KFYQTZZNZCOZIS-UHFFFAOYSA-N 311.370 2.637 0 50 DFAA C[C@@H](NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccccc1 5073647 FGVXYRMRUYDJCS-UKRRQHHQSA-N 315.369 2.506 0 50 DFAA Cc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1Cl 8278470 FGAGPDYNHXXDNL-UHFFFAOYSA-N 313.748 2.876 0 50 DFAA CCNc1ncnc2sc(C(=O)NCCCOCC)c(C)c12 12159001 RGGLTRVNZDCXBU-UHFFFAOYSA-N 322.434 2.588 0 50 DFAA CNC(=O)Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 13716825 IQSXNLXJMILVRQ-UHFFFAOYSA-N 316.788 2.810 0 50 DFAA COc1ccc(CN[C@H]2COc3c(cccc3OC)C2)cc1O 14954153 AGAHCRGQFGUYOY-CQSZACIVSA-N 315.369 2.503 0 50 DFAA CCCCCNC(=O)c1cnc2sc3c(n2c1=O)CCCC3 16647532 ULHGWUFOEJDIHH-UHFFFAOYSA-N 319.430 2.555 0 50 DFAA Cc1ccc2c(c1)CCCN2C(=O)CN(C)[C@H](C)c1ccon1 65382196 YIQQJQFGLOJZEL-CQSZACIVSA-N 313.401 2.955 0 50 DFAA Cc1ccc2c(C)c(C(=O)N(C)C[C@H]3COCCO3)oc2c1 65385027 MKDIGOHXAQXKDG-ZDUSSCGKSA-N 303.358 2.537 0 50 DFAA O=C(c1cc(-c2ccccc2)no1)N1CC(c2ccncc2)C1 72129595 YBWVEMPALDSFLR-UHFFFAOYSA-N 305.337 2.976 0 50 DFAA COc1cc(C)c(CN2CCOC[C@@H](CN(C)C)C2)c(C)c1C 72150628 SFCOAZGVHVEPIQ-KRWDZBQOSA-N 320.477 2.630 0 50 DFAA Cc1cc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)c(C)o1 82116158 AXKUMUNDGFRMOA-UHFFFAOYSA-N 312.329 2.614 0 50 DFAA COc1ccc(CNc2ncc(C(C)=O)c(C)n2)c(OC)c1 91505077 SIVJQUZEGFJRNV-UHFFFAOYSA-N 301.346 2.617 0 50 DFAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)Nc1cccc(C)c1)C2 91997614 KGTPXGYGJQPBNP-NVXWUHKLSA-N 317.433 2.570 0 50 DFAA COc1c(C)cnc(Cn2c(=O)c(C)nc3ccccc32)c1C 95376198 YTGNSGDIBFXBHJ-UHFFFAOYSA-N 309.369 2.774 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)NC[C@@H]3C[C@H](F)CN3)c2c1 95497914 MYEKVPVNGRJUPB-KBPBESRZSA-N 315.392 2.590 0 50 DFAA Cc1ccccc1[C@@H](C(=O)N1CC(c2cccnc2)C1)N(C)C 95517547 DBXKVDQPGBZHBR-SFHVURJKSA-N 309.413 2.619 0 50 DFAA CC[C@](O)(CCCO)CNC(=O)Nc1c(C)cccc1Cl 95525334 LCBMSRBLUCYOFY-HNNXBMFYSA-N 314.813 2.684 0 50 DFAA CN(C)CCCn1ccnc1[C@@H]1CCCN(c2ccccn2)C1 95526848 JFSSYYHJZDLLRN-MRXNPFEDSA-N 313.449 2.614 0 50 DFAA Cc1ccccc1[C@H](C(=O)NCCSC(F)(F)F)N(C)C 95530649 QNLWRJUAERZVCP-GFCCVEGCSA-N 320.380 2.967 0 50 DFAA CCN(CC1=Cc2cccc(OC)c2OC1)C1CCOCC1 97575135 ATRNAMDADJVKJE-UHFFFAOYSA-N 303.402 2.972 0 50 DFAA CCCc1sc(C(=O)NCc2nccc(N)n2)cc1CC 120617240 FXPZTAGPFFBGKO-UHFFFAOYSA-N 304.419 2.565 0 50 DFAA CCc1cc2c(N[C@@H](C)CO[C@@H]3CCOC3)ncnc2s1 133828143 NPIFRKYTVSLJHO-WDEREUQCSA-N 307.419 2.860 0 50 DFAA CC[C@@](C)(NC(=O)Nc1cncnc1OC)c1nc(C)cs1 135831030 SYWOHXPNPQTYMI-CQSZACIVSA-N 321.406 2.697 0 50 DFAA FC(F)(F)c1nnc(N2CCN(c3ccccc3)CC2)s1 153094483 VUDMFGJMNNVRNH-UHFFFAOYSA-N 314.336 2.884 0 50 DFAA CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cn[nH]c1C 172384356 AUDNADVKEFWWAB-QMTHXVAHSA-N 307.781 2.878 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cccc(N(C)C)n1 180362951 POYMYRGVJKSMFA-SNVBAGLBSA-N 301.394 2.620 0 50 DFAA COC1(C(=O)N(C)C[C@H]2COc3ccccc3O2)CCCCC1 184790544 WLLAIYCCHPIFKS-AWEZNQCLSA-N 319.401 2.634 0 50 DFAA Cc1ccc(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)c(C)n1 185366328 ANLSWLOXLRLTEO-LJQANCHMSA-N 323.396 2.974 0 50 DFAA C[C@@H](CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)c1ccccc1 190013903 YGYAUQKOJRKEMU-QANKJYHBSA-N 313.401 2.560 0 50 DFAA Cc1cc(OCC(=O)Nc2cc(C)nn2C)c2nc(C)ccc2c1 190203369 LUWZRLUCEGETAK-UHFFFAOYSA-N 324.384 2.911 0 50 DFAA O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ncccn1 190424331 UJNHNUXDBWVHSW-UHFFFAOYSA-N 318.185 2.725 0 50 DFAA O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCCc2c(O)cccc21 191025699 RELFQAFLTPMFLD-CYBMUJFWSA-N 312.373 2.836 0 50 DFAA O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccnn1 194771602 SWEFSNVWLPYRDP-UHFFFAOYSA-N 318.185 2.725 0 50 DFAA C[C@H](c1ccccc1F)N1CCC(c2ccnn2CCO)CC1 195509692 QILBTUULYAZXJT-CQSZACIVSA-N 317.408 2.955 0 50 DFAA CC(C)[C@@H]1C=CCN1Cc1ccc(OCC(N)=O)c(Cl)c1 215875320 OLGQYZACVBBQMR-AWEZNQCLSA-N 308.809 2.601 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2F)CC1 221354052 ZHVYRSGZBJBLHX-OAHLLOKOSA-N 310.388 2.840 0 50 DFAA CS[C@H](CO)[C@H](C)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 229873124 JZAATOWTSSYBOY-XJNFMUPTSA-N 308.491 2.524 0 50 DFAA CC1(C)[C@H](N[C@@H]2CCCN(c3ccccc3)C2=O)[C@@H]2CCO[C@H]21 230154318 UMFHKPSWSTVDKO-YLFCFFPRSA-N 314.429 2.585 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@]1(C)CCNC1 237148882 RLLYNSWKAVSNIK-AWEZNQCLSA-N 300.324 2.663 0 50 DFAA COc1ccc(CCCCCC(=O)N2CC[C@H](C(=O)O)C2)cc1 237207759 RBAONOROOABOJL-HNNXBMFYSA-N 319.401 2.731 0 50 DFAA CC(C)(C)c1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)no1 239174318 PTJRONGPUOQINW-WTTBSCSTSA-N 306.362 2.658 0 50 DFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 239308862 HATHUEWNBMABDW-NILFDRSVSA-N 315.369 2.789 0 50 DFAA C[C@H]1CO[C@H](C)CN1CC(=O)N1CCC[C@H]1c1cccs1 247965707 QHXIYKHTJRFLAB-MJBXVCDLSA-N 308.447 2.521 0 50 DFAA CC(C)c1ncc(C(=O)NC[C@@H](C(=O)O)c2ccccc2)s1 262833203 YCZGNUJBMZLJKL-GFCCVEGCSA-N 318.398 2.865 0 50 DFAA CCn1nccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(F)cc1 274434300 FKENVZGDULYXMZ-CQSZACIVSA-N 323.393 2.568 0 50 DFAA CCC[C@]1(C(=O)OCC)CCCN1C(=O)CCc1ccccn1 278144173 AWQGYPYHDXDNKV-GOSISDBHSA-N 318.417 2.739 0 50 DFAA O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cccc3nccn23)C1 281895816 YQKGMXONCWSJHP-DLBZAZTESA-N 311.360 2.781 0 50 DFAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cc2ccccc2o1 284776443 XVSTYTYBFVMMEF-YESZJQIVSA-N 301.386 2.795 0 50 DFAA COC[C@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC(C)(C)O1 285192640 WDXUIOMSEJZMLR-MRVPVSSYSA-N 321.204 2.588 0 50 DFAA CCOc1cccc(NC(=O)N2CCOC[C@H]2CC(F)F)c1 287053843 OTQBGDOMVOLWQK-GFCCVEGCSA-N 314.332 2.973 0 50 DFAA COc1ccccc1C(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 290789206 SSFPLXBOJWZZAI-GFCCVEGCSA-N 305.765 2.632 0 50 DFAA CC(C)c1ccc(C(=O)NCc2ncc(C(F)(F)F)cn2)nc1 296072799 OCGWJOJJBUYGLE-UHFFFAOYSA-N 324.306 2.944 0 50 DFAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H](C)c1cccnc1)CC2 299753434 YFWMASASHVYQMI-CHWSQXEVSA-N 312.417 2.910 0 50 DFAA CCCc1nc(C)c(CNC(=O)Nc2cnn(C)c2C)s1 299791134 CJISBKJDKMYGQE-UHFFFAOYSA-N 307.423 2.768 0 50 DFAA COc1nc(C)ccc1C(=O)NC(C)(C)c1c(C)noc1C 330680381 YRRALOINRVKVRY-UHFFFAOYSA-N 303.362 2.669 0 50 DFAA Cc1nc([C@@H]2CCN(C(=O)C[C@@H]3CCCc4ccccc43)C2)n[nH]1 334013181 WRYYPKOPUWIWMS-JKSUJKDBSA-N 324.428 2.939 0 50 DFAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ncc(Cl)cc1Cl 343273733 DIYUIZPWLORTJD-WCFLWFBJSA-N 317.216 2.755 0 50 DFAA C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCCOCC1 371956956 ZJETYSZUPJWMBI-LBPRGKRZSA-N 309.793 2.798 0 50 DFAA O=C1N[C@H](C2CC2)C(=O)N1Cc1ccc(-c2cccnc2)cc1 372898701 BRNBLOHAHDECML-MRXNPFEDSA-N 307.353 2.579 0 50 DFAA CC[C@@]1(C)COCCN1C(=O)c1cc2ccccc2c(O)n1 408086317 IBGAHAMNGBCPRG-KRWDZBQOSA-N 300.358 2.582 0 50 DFAA Cc1ccncc1S(=O)(=O)NC(=O)CC1(C)CCCCC1 408500592 NZNSEDYXBVSHLR-UHFFFAOYSA-N 310.419 2.555 0 50 DFAA Cc1nnc(CC(=O)NCC23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)o1 408513983 GTKOKFMKIXBSGI-SCQRFTTHSA-N 303.406 2.643 0 50 DFAA C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1C(=O)OC(C)(C)C 425039481 MYSFDIOAQXVNRR-CMPLNLGQSA-N 310.419 2.726 0 50 DFAA CN(CCc1ncon1)C(=O)c1[nH]c2ccccc2c1Cl 426434413 CTLAPJDJKHPOGU-UHFFFAOYSA-N 304.737 2.519 0 50 DFAA O=C(O)c1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1 442847774 LXGZQNCLOBSQFA-UHFFFAOYSA-N 317.322 2.932 0 50 DFAA Cc1nnc(CN(C)C(=O)N[C@H](CC(C)C)c2cccnc2)o1 534576775 WUTBLBWOUDFSQH-CQSZACIVSA-N 317.393 2.702 0 50 DFAA CCN(Cc1nc(COC)no1)C(=O)N[C@H](C)c1ccsc1 534634164 CDHMCGYLQAIFNE-SNVBAGLBSA-N 324.406 2.570 0 50 DFAA CC(C)c1nc(CCNC(=O)N(C)[C@@H](C)c2ccco2)no1 584903928 VJLQVBBDZBFGGZ-NSHDSACASA-N 306.366 2.731 0 50 DFAA Cc1nc([C@@H](C)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)no1 585116126 ICQCIUXEIHNVEZ-KCXAZCMYSA-N 313.401 2.954 0 50 DFAA CCN(CC)[C@@H](C(=O)NCc1ccnn1CC)c1ccccc1 621116015 VKBFSSRREXWOFE-QGZVFWFLSA-N 314.433 2.602 0 50 DFAA Cn1nc(CC(=O)Nc2ccc3c(c2)COC3)c2ccccc21 622478293 ZPUYYTMLORVPSX-UHFFFAOYSA-N 307.353 2.785 0 50 DFAA O=C(O)[C@@H]1CC[C@H](NC(=O)N2CC[C@H](c3ccccc3F)C2)C1 646175303 QUMRWTDFOOIEFK-AGIUHOORSA-N 320.364 2.578 0 50 DFAA CC(C)C1CN(C(=O)NCc2nc(-c3cccc(F)c3)no2)C1 683856896 ZWVXHEWVWKCUFV-UHFFFAOYSA-N 318.352 2.673 0 50 DFAA O=C(NCc1ccc(Cn2cccn2)cc1)N1CCC[C@@H]2C[C@@H]21 806426172 YNTDTJAOTQGOJS-SJORKVTESA-N 310.401 2.625 0 50 DFAA COc1ccc(-n2cc(C(=O)N[C@@]3(C)CC=CCC3)nn2)cc1 822487772 CLSBQOJTQOMWGI-KRWDZBQOSA-N 312.373 2.505 0 50 DFAA Cc1nc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cs1 825317508 MEHYQNSRLILIFU-CYBMUJFWSA-N 304.419 2.733 0 50 DFAA O=C(Cn1cccn1)NCCCSCc1ccc(Cl)cc1 827861524 QTFPDEXZJZJKOH-UHFFFAOYSA-N 323.849 2.976 0 50 DFAA C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(NC2CCOCC2)CC1 904217475 HDLWSUFKGUFATA-JKSUJKDBSA-N 322.493 2.962 0 50 DFAA Cn1nc(-c2cccnc2)cc1C(=O)NC(C)(C)C(C)(F)F 906003387 YBMQHQSVUALKSA-UHFFFAOYSA-N 308.332 2.646 0 50 DFAA CC(C)[C@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1C(=O)O 1565527279 JVYLFTOAHHFFMH-CABCVRRESA-N 301.386 2.533 0 50 DFAA COc1cccc(Cc2noc([C@@]34C[C@@H]3COC43CCC3)n2)c1 1615617183 HYMAJJQEPYTRDW-FZKQIMNGSA-N 312.369 2.880 0 50 DFAA CC[C@@H](C)n1ncc(NC(=O)c2c(N)nn3ccccc23)c1C 1875284481 VYPAUGDWPGLEAK-SNVBAGLBSA-N 312.377 2.645 0 50 DFAA C=CC(=O)N(Cc1cc(F)cc(OC)c1)[C@H]1CCCC[C@@H]1O 1875381748 GNBMNHPZEYTGFN-HOTGVXAUSA-N 307.365 2.652 0 50 DFAA C[C@H]1c2ccccc2O[C@H]1CNC(=O)c1onc2c1CCCC2 2325766880 ZAVWVCQAKXNOSI-ZBEGNZNMSA-N 312.369 2.848 0 50 DFAA CCOc1cc(S(=O)(=O)NCc2cccnc2)c(C)cc1C 619614 MQEHBACYIBJKOF-UHFFFAOYSA-N 320.414 2.576 0 50 DFAA COc1cccc(CN2CCC[C@@]3(CCc4cnc(C)nc43)C2)n1 2356141501 DYCYARDCSAWXQD-LJQANCHMSA-N 324.428 2.669 0 50 DFAA CC[C@@H](Oc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)OC 4056209 ZXFVADJEOCKHRY-CQSZACIVSA-N 316.353 2.921 0 50 DFAA CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1 4559655 CJBODQBJMBBQAQ-UHFFFAOYSA-N 311.337 2.691 0 50 DFAA CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1 4809554 PXLJVUIZRKILLK-UHFFFAOYSA-N 322.361 2.840 0 50 DFAA COc1ccc(OC)c(NC(=O)N[C@@H](C)c2ccncc2)c1 6698965 UPYMFMZJUWMANF-NSHDSACASA-N 301.346 2.982 0 50 DFAA O=c1cc(CSc2nccn2-c2ccccc2)occ1O 345398451 JEQJNFZESOWSDC-UHFFFAOYSA-N 300.339 2.823 0 50 DFAA Cc1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1 10315055 SHSAVOGCRLQONW-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA C[C@@H](NCC1(N(C)C)CCOCC1)C(F)(F)c1ccccc1 863984466 VPGQXDBMNYAHAR-CQSZACIVSA-N 312.404 2.867 0 50 DFAA CCOc1ccccc1NC(=O)[C@H](C)NC(=O)c1cccs1 20400097 UJDGQLQAGDSBEZ-NSHDSACASA-N 318.398 2.904 0 50 DFAA COc1ccccc1CN1CCN(CC(C)(C)C)[C@H](CCO)C1 104324149 BPYLWORRXFTQDA-QGZVFWFLSA-N 320.477 2.610 0 50 DFAA CCn1cc(CCN2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cn1 348318186 OSFDXYNQVNPDKB-WMLDXEAASA-N 321.371 2.532 0 50 DFAA CC(=O)c1ccccc1-c1ccc2ncnc(NCCO)c2c1 65498958 NXYLTQJMGPAKDG-UHFFFAOYSA-N 307.353 2.904 0 50 DFAA COc1cc2ccccc2cc1-c1nc(-c2nonc2N)no1 54269 WXFCJXYATUTYCX-UHFFFAOYSA-N 309.285 2.531 0 50 DFAA Cc1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cs1 69320359 GBVDDYCBRRJFCX-ZDUSSCGKSA-N 305.403 2.611 0 50 DFAA O=C(Nc1cccc2nccn12)c1ccn(Cc2ccccc2)n1 361494296 XVXURWKAQSYPAP-UHFFFAOYSA-N 317.352 2.831 0 50 DFAA Cc1csc(CCC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)n1 331439915 CQYUQHJQFBWHPO-HUUCEWRRSA-N 316.426 2.719 0 50 DFAA CN(CC(=O)c1ccc(O)cc1)C(=O)c1cccc2cnccc12 71403989 SVFMDWTZTGVHIE-UHFFFAOYSA-N 320.348 2.895 0 50 DFAA CCOc1cccc(Cn2ccnc2[C@@H](O)c2ccccc2)n1 154779675 UOTHFZYIUAVVRI-KRWDZBQOSA-N 309.369 2.807 0 50 DFAA CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ncc(C)s1 155257208 GIQJHPVFTOMDQN-QMMMGPOBSA-N 312.826 2.892 0 50 DFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)/C=C/CN(C)C)CC3 368018107 GNHMRGBPPSRBDR-NNTXTVRGSA-N 311.429 2.568 0 50 DFAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCCOCC3)CC2)cc1C 369328330 ATNQVVVGQUOEFZ-QGZVFWFLSA-N 316.445 2.769 0 50 DFAA Cn1ccnc1[C@@H](O)C1CCN(C/C=C/c2ccccc2)CC1 215238663 QEHPJGGXKRYFBQ-MOTZXUDYSA-N 311.429 2.879 0 50 DFAA Cc1ccc(-c2ccc(CN3CCN(C)[C@H](CCO)C3)cc2)o1 39405007 RLHXVGQYULJZNU-GOSISDBHSA-N 314.429 2.753 0 50 DFAA CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H]2CSCN2)cc1 120085125 ITDFGKBGTXBCIH-DOMZBBRYSA-N 308.447 2.561 0 50 DFAA C[C@@H](ONC(=O)N1CC[C@@H](c2nccn2C)C1)c1ccccc1 378112470 FETWAWJSCMNCQP-UKRRQHHQSA-N 314.389 2.612 0 50 DFAA CN(C)c1ccc(-c2nccn2Cc2ccc(C(=O)O)cc2)cn1 72152188 WYCRUBAELWZYGI-UHFFFAOYSA-N 322.368 2.758 0 50 DFAA COc1ccc(OC)c([C@@H]2CCN(Cc3coc(C)n3)C2)c1 77287357 LFCFYGCRLKNXAA-CYBMUJFWSA-N 302.374 2.990 0 50 DFAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)C2CCOCC2)c1 215319754 FEGGFBAWICIVOC-GOSISDBHSA-N 317.429 2.929 0 50 DFAA O=C(NCCCCc1ccc(F)c(F)c1)Nc1ccnnc1 459606453 BUPVIEMUAZAUJZ-UHFFFAOYSA-N 306.316 2.899 0 50 DFAA COCC1(C(=O)NC[C@@H]2CCN(c3cccc(C)c3)C2)CCC1 426562797 BIZRHALSELXGFR-INIZCTEOSA-N 316.445 2.754 0 50 DFAA O=C(Nc1cccc2ncccc12)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 226777680 UIFCFMBQXBIEAS-KUDNYVPYSA-N 308.337 2.696 0 50 DFAA CCC(CC)C(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 223350104 JWSBAWSOJZJWBQ-CVEARBPZSA-N 309.381 2.914 0 50 DFAA Cc1ccccc1CNC(=O)N1CC(N2CCCC[C@H]2C)C1 426712566 DJAWZFHBCOIMRU-OAHLLOKOSA-N 301.434 2.763 0 50 DFAA CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C1CCNCC1 237091827 KDZKTMJVTCXPII-NEPJUHHUSA-N 310.800 2.793 0 50 DFAA CCc1cc(NC[C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C)n1 180451153 STIFTQVPEHHKRT-MRXNPFEDSA-N 324.428 2.808 0 50 DFAA Cc1cc(NC[C@@H](O)c2ccccn2)nc(-c2ccccc2O)n1 91877099 GCFPDJUXFGXUBJ-MRXNPFEDSA-N 322.368 2.698 0 50 DFAA Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 91635713 PEHGCPNXURMYTH-CYBMUJFWSA-N 320.458 2.506 0 50 DFAA C[C@H](c1ccncn1)N(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 91486834 YSUNBGCQWLLOIU-GFCCVEGCSA-N 307.357 2.700 0 50 DFAA CN1CC[C@@]2(CCN(C(=O)Nc3nc(C4CCC4)cs3)C2)C1 296775826 PGZVKRCIGRAXPD-MRXNPFEDSA-N 320.462 2.970 0 50 DFAA CC[C@H](NC(=O)CN(C)Cc1ccccc1F)c1nccs1 244794897 QVVYAAMDZQEUEW-AWEZNQCLSA-N 321.421 2.982 0 50 DFAA Cn1c(=O)c(CN2CCOC3(CCCC3)C2)cc2ccccc21 244874456 XBOYCGGHIAHMSU-UHFFFAOYSA-N 312.413 2.684 0 50 DFAA O=C(O)C[C@@H](NC(=O)[C@H]1COc2ccccc21)c1cccs1 299752577 UQDFLBMWPSXWAN-NWDGAFQWSA-N 317.366 2.556 0 50 DFAA CCCCc1noc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)n1 299744892 VGDTYEOROOAGHA-XQQFMLRXSA-N 307.394 2.630 0 50 DFAA CCc1nnc(CN(C)C(=O)NC2(C3CCCCC3)CC2)o1 534638570 IUBBCHMBDAYNBR-UHFFFAOYSA-N 306.410 2.886 0 50 DFAA Cc1cc(NC(=O)N2CCN([C@H](C)c3ccsc3)CC2)no1 185228897 UBWOYDYDRVUQSV-GFCCVEGCSA-N 320.418 2.955 0 50 DFAA CN(C[C@@H]1CCOC1)C(=O)Cc1csc(-c2ccccc2)n1 267410232 KIUAZQGOYUKQIB-ZDUSSCGKSA-N 316.426 2.848 0 50 DFAA Cc1noc(NC(=O)Cc2cc3c(cc2Cl)OCCO3)c1C 1940197200 YPYPEXDYCCWDMO-UHFFFAOYSA-N 322.748 2.897 0 50 DFAA Cc1c(NC(=O)N[C@H](C)c2nc3c(s2)CCCC3)cnn1C 299798970 WQCHBIWRGDBARJ-SECBINFHSA-N 319.434 2.947 0 50 DFAA CC(=O)c1ccc(C(=O)N[C@H](C)c2nnc(C(C)C)o2)s1 299773645 GTAZQTBYHCUIGT-MRVPVSSYSA-N 307.375 2.948 0 50 DFAA CCn1nc(Cc2ccccc2OC)nc1[C@H](O)CC(C)C 824821925 ZYDGJCOTRSNTMD-CQSZACIVSA-N 303.406 2.977 0 50 DFAA CCn1cc(Cn2cnc3c(Cl)cccc3c2=O)c(C)n1 584885078 RDSSSNJXQABNNS-UHFFFAOYSA-N 302.765 2.623 0 50 DFAA C[C@@H]1Oc2ccc(Nc3cc(C(F)F)ncn3)cc2NC1=O 1458080539 BKANCMXFSWDQAW-ZETCQYMHSA-N 306.272 2.877 0 50 DFAA C[C@@]1(c2cn(Cc3cccnc3C(F)(F)F)nn2)CCCO1 1875282207 RGQYIQJXQWPMRJ-ZDUSSCGKSA-N 312.295 2.766 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NC[C@]2(C)CCO[C@H]2C2CC2)[nH]1 1875261142 VOXWBKZHQSDVOA-OALUTQOASA-N 324.428 2.886 0 50 DFAA Cc1cc(NC(=O)C2(C(=O)O)CCOCC2)cc(Cl)c1F 1875303705 KFFQHRGAHCPWKF-UHFFFAOYSA-N 315.728 2.607 0 50 DFAA O=C(c1ccc2nc(O)n(C3CC3)c2c1)N1CC[C@H](CF)C1 881676980 JVNVTMZMTMCTKZ-SNVBAGLBSA-N 303.337 2.508 0 50 DFAA CCNC(=O)c1ccc(NC(=O)Cc2cccnc2)cc1Cl 952976708 GNRJRRUAPCCXNH-UHFFFAOYSA-N 317.776 2.666 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc3ccc(C)cc3[nH]2)C1 888077710 QPIMRZVAGZUALV-CZUORRHYSA-N 324.384 2.802 0 50 DFAA CC[C@@H]1C[C@H]1C(=O)N1CC(=O)Nc2cc(Br)ccc21 1361586284 NWXVYJZRKFLHGR-PSASIEDQSA-N 323.190 2.780 0 50 DFAA CS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F 85483092 BTIZYKDXEHWPSN-UHFFFAOYSA-N 319.098 2.751 0 50 DFAA in-vitro Cc1ccc(C(=O)N(CCC(=O)O)Cc2ccccc2)c(O)c1 677794196 KTRVFGXEBPPQHV-UHFFFAOYSA-N 313.353 2.818 0 50 DFAA CC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1nc(C)cs1 170002820 NWUWHRZWNHILCE-WOPDTQHZSA-N 308.403 2.686 0 50 DFAA CC(C)c1nn(C)cc1NC(=O)c1cncc(Br)c1 280161688 FDEKSUXSAATVHB-UHFFFAOYSA-N 323.194 2.953 0 50 DFAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2[nH]ccc2s1 585082718 QJXQLGBAKUKQDS-YMTOWFKASA-N 319.430 2.653 0 50 DFAA O=C(Nc1cnn([C@H]2CCCCO2)c1)c1ccc(O)c(F)c1 585127629 FTAFGEFJBDMTOB-CQSZACIVSA-N 305.309 2.679 0 50 DFAA CC(=O)NC(C)(C)c1noc(-c2ccncc2C(F)(F)F)n1 585133534 LGAJPFLJMUXQCK-UHFFFAOYSA-N 314.267 2.522 0 50 DFAA O=C(CCc1cscn1)NC1(c2ccccc2)CCOCC1 602008452 SUICCQRGVTXNMQ-UHFFFAOYSA-N 316.426 2.898 0 50 DFAA CS(=O)(=O)C1CCC(Nc2ncccc2C(F)(F)F)CC1 172767478 MXNBHWCRVQLAQI-UHFFFAOYSA-N 322.352 2.868 0 50 DFAA CN(CC1(CO)CC1)C(=O)NCCc1cccc2ccccc12 186920843 UGYRPIACGFTBGB-UHFFFAOYSA-N 312.413 2.796 0 50 DFAA Cc1nnc(COC2CN([C@@H](C)Cc3ccccc3C)C2)o1 643832045 QOVIGULHOBYRBS-ZDUSSCGKSA-N 301.390 2.518 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc3ccc(C)cc3[nH]2)C1 644117823 QPIMRZVAGZUALV-CJNGLKHVSA-N 324.384 2.802 0 50 DFAA CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccncn1 194130129 PWVFYXWOIPTRHJ-CQSZACIVSA-N 311.389 2.739 0 50 DFAA O=C(NCc1ccc2c(c1)OCO2)NC[C@H]1Cc2ccccc21 194259390 OJXZVJWILRCEST-CQSZACIVSA-N 310.353 2.554 0 50 DFAA C[C@@H]1COCC[C@H]1NC(=O)NCC(F)(F)c1cccc(F)c1 661068789 DRIWQTPILRYUTA-ZWNOBZJWSA-N 316.323 2.642 0 50 DFAA Cn1nccc1COCC(=O)N1CCCCC[C@H]1c1ccco1 670789016 IQGPUXNIVOBZJL-HNNXBMFYSA-N 317.389 2.674 0 50 DFAA COc1ccccc1C1CCN(c2nccnc2N(C)C)CC1 1529185046 IJPZDCNHKXMANA-UHFFFAOYSA-N 312.417 2.935 0 50 DFAA Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 31714 FTPZMYIVHFCBHC-UHFFFAOYSA-N 312.192 2.790 0 50 DFAA Cc1ncc(CN(CCN(C)C)Cc2ccc(F)cc2F)[nH]1 1704312195 NITLQHDTNQEGDV-UHFFFAOYSA-N 308.376 2.560 0 50 DFAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2o1 11844380 AYYPAIIIFAVNEL-CQSZACIVSA-N 322.368 2.622 0 50 DFAA O=C(Nc1nccs1)c1nnn(-c2ccccc2)c1C1CC1 16647807 JBBWUYWHIRZJJJ-UHFFFAOYSA-N 311.370 2.854 0 50 DFAA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 17028801 OQPOTXIMBFEOAX-QMMMGPOBSA-N 324.167 2.859 0 50 DFAA Cc1ccnc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)n1 17032390 SIUSRFSTNWSCJG-UHFFFAOYSA-N 311.794 2.856 0 50 DFAA CN(C(=O)c1cnc2c(c1)C(=O)CCC2)C1Cc2ccccc2C1 1857527795 MPTXLOIDHGIUNI-UHFFFAOYSA-N 320.392 2.840 0 50 DFAA CN(C)c1cccc(C(=O)N2CCC(C3CCNCC3)CC2)c1 1857677502 FHEBCMGGGDWJAG-UHFFFAOYSA-N 315.461 2.604 0 50 DFAA Cc1cccc2c(CCC(=O)N3CC[C@](C)(C(=O)O)C3)c[nH]c12 237760720 OBPVRBDZGRZKCS-SFHVURJKSA-N 314.385 2.732 0 50 DFAA N[C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccccc2)n1 128864092 XLKNAOFOXRONTP-CHWSQXEVSA-N 301.415 2.810 0 50 DFAA CCNC(=O)c1ccc(C)c(NC(=O)c2ccnc(C3CC3)n2)c1 351528616 DZJONOQMGYOXAV-UHFFFAOYSA-N 324.384 2.664 0 50 DFAA C[C@@H](C(=O)N1CCC[C@](O)(c2ccccc2)C1)C(F)(F)F 862803911 NAKWUVUSJUUGTI-SMDDNHRTSA-N 301.308 2.695 0 50 DFAA COc1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 281020 GNWJPUGGMNOAHO-RDJZCZTQSA-N 322.364 2.865 0 50 DFAA biogenic O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1ccncc1 482705 GOEZIXINHILGBF-UHFFFAOYSA-N 318.336 2.981 0 50 DFAA CCCC[C@@](CCC(=O)O)(C(=O)OCC)c1csc(N)n1 2346471 SNYMWBBCKVDASK-AWEZNQCLSA-N 314.407 2.581 0 50 DFAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc3ccccn13)CCC2 2356155022 UQNRCMFRDKXIMJ-AWEZNQCLSA-N 308.385 2.789 0 50 DFAA CCOP(=O)(OCC)[C@H](OC(N)=O)c1ccccc1O 3185542 ZTQWROGBBJCCHM-NSHDSACASA-N 303.251 2.752 0 50 DFAA Cc1cc(C(=O)NN2CCOCC2)sc1-c1ccccc1 4750113 SPBQUAPUDOFUGY-UHFFFAOYSA-N 302.399 2.701 0 50 DFAA Cc1cccc(-c2noc(CNC(=O)Cc3ccccc3)n2)c1 6661125 POMJSMSNZGXRNI-UHFFFAOYSA-N 307.353 2.904 0 50 DFAA CCN(CC)C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 7263542 NPHGHSUDLYQMRV-UHFFFAOYSA-N 322.364 2.969 0 50 DFAA Cc1nnc(S)n1-c1cccc(NC(=O)C2[C@@H]3CCC[C@@H]23)c1 134561048 RMLHWMKWVDYVNR-CHWSQXEVSA-N 314.414 2.849 0 50 DFAA C[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1F 20399246 IZNMIRAIROIMBK-JTQLQIEISA-N 304.296 2.722 0 50 DFAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 248027975 KDUUSYWJAABZSP-BBWFWOEESA-N 324.428 2.899 0 50 DFAA Cc1ccc(C[C@@H]2C(=O)N(c3nc(C)cc(C)n3)C(=O)[C@@H]2C)cc1 101309223 VNHPBAHRXUZUNO-ZBFHGGJFSA-N 323.396 2.770 0 50 DFAA CCc1cccc(NC(=O)CCC(=O)N2CCC[C@H]2COC)c1 55371487 WRCYVSSDJBRBEF-INIZCTEOSA-N 318.417 2.605 0 50 DFAA COc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 10302035 OUSSNSQVDLOTPI-UHFFFAOYSA-N 323.345 2.838 0 50 DFAA CC(C)c1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)n[nH]1 409415245 YADGTRYSWVNAOK-PBHICJAKSA-N 318.465 2.870 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2ccc(N(C)CC(C)C)nc2)C1 20204285 IIKXPSISFQDKHR-OAHLLOKOSA-N 319.449 2.672 0 50 DFAA CSc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1 350933399 BKPQLDZVSJAUKS-UHFFFAOYSA-N 310.342 2.563 0 50 DFAA C[C@@H]1CCCN1C1CCN(C(=O)c2cc(C3CC3)on2)CC1 252551317 UBSNKGMNGNURPK-GFCCVEGCSA-N 303.406 2.641 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 252671261 OMNHOKXEPGCQOZ-MJBXVCDLSA-N 312.335 2.759 0 50 DFAA Cc1ocnc1C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 121767065 GFDZMBVMDDFVTE-ZDUSSCGKSA-N 312.329 2.963 0 50 DFAA O=C(c1ccnn1COc1ccc(Cl)cc1)N1CCCC1 2798808 CLKVODJFBYCNQE-UHFFFAOYSA-N 305.765 2.809 0 50 DFAA CCCN(C(=O)c1cccc(O)n1)[C@@H]1C[C@@H](OCC)C1(C)C 329902251 PGGZCOAMXZMCAI-ZIAGYGMSSA-N 306.406 2.843 0 50 DFAA Cn1nccc1[C@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)cn1 284646243 WIZQIJZEDLWLKP-GWCFXTLKSA-N 312.295 2.776 0 50 DFAA c1cn(-c2ccc(CN3CCC(c4ncon4)CC3)cc2)cn1 215104862 FHBXXKALAWQEGX-UHFFFAOYSA-N 309.373 2.635 0 50 DFAA CCn1c(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)cc2ccccc21 237197153 FYJXPTCPYPKJDL-GFCCVEGCSA-N 314.385 2.987 0 50 DFAA Cc1noc(-c2ccccc2OCC(=O)Nc2nccs2)n1 35476140 MLIIAIJBFGPSEU-UHFFFAOYSA-N 316.342 2.519 0 50 DFAA CCc1noc(CC)c1CC(=O)N1CCCC[C@@H](COC)C1 375124238 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0 50 DFAA COCCN(Cc1sccc1C)C(=O)C[C@H]1CCCOC1 426623062 SDNVLMBGJRSQMW-CQSZACIVSA-N 311.447 2.848 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@@H]2CCCCCN2C)s1 95359787 MNSRWUPCYWGGGC-ZDUSSCGKSA-N 309.479 2.895 0 50 DFAA Cc1ccccc1CNC(=O)N1CC(N2CCCC[C@@H]2C)C1 426712565 DJAWZFHBCOIMRU-HNNXBMFYSA-N 301.434 2.763 0 50 DFAA O=C(C1CCOCC1)N(Cc1ccccn1)Cc1ccco1 97370374 YCNCDEWRYULYGI-UHFFFAOYSA-N 300.358 2.630 0 50 DFAA C[C@@H](C(N)=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95531426 BHMXWPDWVURFQB-INIZCTEOSA-N 308.425 2.942 0 50 DFAA CCCCOc1cccc(NC(=O)NCCc2cn[nH]c2)c1 96132160 IYOVEHRBHQZOTL-UHFFFAOYSA-N 302.378 2.953 0 50 DFAA CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-n3cccc3)c1)C2 91943295 UDYYABSTUREETR-CRAIPNDOSA-N 309.413 2.644 0 50 DFAA Cn1ccc2ccc(CN(CCCO)Cc3cccnc3)cc21 244734815 NMJNGNFHYYIRCJ-UHFFFAOYSA-N 309.413 2.958 0 50 DFAA O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CC[C@H](C(=O)O)CC1 245239117 FMHWRYNCZBTGED-JOCQHMNTSA-N 314.385 2.718 0 50 DFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]1CCCCN1C 244741985 OABZZCQVKCQHOH-AWEZNQCLSA-N 320.824 2.659 0 50 DFAA COc1cccc(CCNC(=O)CCC(F)(F)F)c1OC 252478833 AVQSKICUVYXRMJ-UHFFFAOYSA-N 305.296 2.705 0 50 DFAA Cn1ccnc1CN1CCC2(CC1)OCCc1ccsc12 352803740 WIKCOEDEENGPCK-UHFFFAOYSA-N 303.431 2.546 0 50 DFAA C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1nncn1C 264373622 MLJXWBQVFVHJHL-CQSZACIVSA-N 323.400 2.640 0 50 DFAA CCc1nc(C)c(C(=O)NCCc2cnn(-c3ccccc3)c2)o1 292671079 HWPVBZWTXPVTMJ-UHFFFAOYSA-N 324.384 2.704 0 50 DFAA CCOc1cc(CN[C@H]2CCCc3cn[nH]c32)ccc1OC 268802284 BLJJLEYWXAWJJH-AWEZNQCLSA-N 301.390 2.984 0 50 DFAA C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccnc1S 163949445 CKAXEGGQHFTHKG-RISCZKNCSA-N 302.399 2.612 0 50 DFAA COC(=O)c1sc2nc(C)ccc2c1NC(=O)[C@H]1CCCO1 863947019 GVGXZVBHOHPOIV-SNVBAGLBSA-N 320.370 2.509 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3cccc(F)c3)n[nH]c21 1875288482 GZJNNQJCAVPNOP-MNOVXSKESA-N 317.364 2.843 0 50 DFAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2)o1 1565515930 ILZWZALEYQLGJU-ZFWWWQNUSA-N 317.341 2.606 0 50 DFAA Cc1csc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)n1 275536035 DCNIYMRMDGGJAS-MRXNPFEDSA-N 316.474 2.991 0 50 DFAA O=C(Nc1cccc(CO)n1)[C@@H]1C[C@]12CCCc1ccccc12 170088561 UFWFDMRHMMXPMZ-LPHOPBHVSA-N 308.381 2.807 0 50 DFAA Cc1noc(C)c1[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 221904903 PMQLLQQBMYVVHR-HBEIAFGSSA-N 320.389 2.639 0 50 DFAA COC(=O)N1CC[C@H](N[C@H](c2ccccc2)c2ccccn2)C1 170593034 YGNWLFIOQQOHKT-DOTOQJQBSA-N 311.385 2.601 0 50 DFAA Cc1n[nH]c(C)c1C(=O)Oc1ccc(NC(=O)C(C)C)cc1 170593542 UYNJVLIIQIELBS-UHFFFAOYSA-N 301.346 2.840 0 50 DFAA O=C(Nc1ccc(-c2nnc[nH]2)cc1)[C@H]1CCOc2ccccc21 111093813 IZPGYWXILYWGSZ-HNNXBMFYSA-N 320.352 2.977 0 50 DFAA COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cn1 170620323 SPWMOZVDZCMEDX-UHFFFAOYSA-N 306.387 2.532 0 50 DFAA CC[C@@H](Nc1cc(N2CCOCC2)ncn1)c1cccs1 225480759 CURIJOKVWAUYFQ-GFCCVEGCSA-N 304.419 2.938 0 50 DFAA Cc1nc(C)c([C@@H](C)N(C)C(=O)NCC2CCOCC2)s1 171729403 FBPQXVOIYZTESV-LLVKDONJSA-N 311.451 2.889 0 50 DFAA CCc1occc1C(=O)N1CCC[C@H]1c1ccc(N(C)C)nn1 643887757 YDDBYBOCIRGXDV-AWEZNQCLSA-N 314.389 2.675 0 50 DFAA Cn1nc(CNc2ncnc3c2ncn3C2CC2)c2ccccc21 644864546 KHHTVGLQLPQYEU-UHFFFAOYSA-N 319.372 2.660 0 50 DFAA C[C@H]1CN(C(=O)Cc2cnn3ccccc23)Cc2ccccc2O1 648912264 HIDFHRPNMWJWOE-AWEZNQCLSA-N 321.380 2.687 0 50 DFAA CC(C)O[C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 650324080 GNKLAYHJDORKGX-AWEZNQCLSA-N 301.390 2.603 0 50 DFAA CCOc1cccc(C(=O)N2CCC[C@H](c3nnc(C)o3)C2)c1 652595702 FNBOBLYRHZWMJF-AWEZNQCLSA-N 315.373 2.797 0 50 DFAA O=C(O)[C@@H](C(=O)Nc1ccc(-c2cc[nH]n2)cc1)C1CCCC1 663082908 YSPSCWLVFXBVRS-OAHLLOKOSA-N 313.357 2.906 0 50 DFAA CCCc1nc(C(N)=O)nn1C[C@@H]1CC[C@@H](c2ccccc2)C1 664033095 LOSCIPKDEHWAKI-UKRRQHHQSA-N 312.417 2.913 0 50 DFAA Cc1nc(C(=O)N2CC[C@@H]2C(C)C)nn1-c1ccc(F)cc1 678877780 DMGFMVASSDUGJY-CQSZACIVSA-N 302.353 2.585 0 50 DFAA Cn1ccnc1[C@@H](Cc1nc(-c2ccncc2)no1)C(F)(F)F 585133324 FQKYOCLKAZERQE-SNVBAGLBSA-N 323.278 2.754 0 50 DFAA CCOc1c(F)cccc1C(=O)N1CCC[C@@H](CC(=O)O)CC1 585655679 ZDAYWTNBAKWAOJ-GFCCVEGCSA-N 323.364 2.941 0 50 DFAA C[C@H](CC(F)(F)F)N1CCCN(C(=O)c2ccco2)CC1 1255656520 WTIQLLBUKFILKJ-LLVKDONJSA-N 304.312 2.768 0 50 DFAA Cc1cccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c1C 1615738013 ZNGXUIHYGIFOQZ-WMZOPIPTSA-N 310.397 2.686 0 50 DFAA C[C@H](NCc1ccccc1-n1ccnc1)[C@H]1COC(C)(C)O1 1616038264 QDWKYTPBPPXBSQ-XJKSGUPXSA-N 301.390 2.502 0 50 DFAA Cc1cc(C)c(-c2nc([C@@H](C)O)nn2CC(F)(F)F)cn1 1857679254 QNZZXTIHBALRQG-SECBINFHSA-N 300.284 2.573 0 50 DFAA COc1ccc(CCCC(=O)N2CCC[C@@H]2C2(O)CC2)cc1 1772809059 KXIARRBZGVFAJF-MRXNPFEDSA-N 303.402 2.534 0 50 DFAA CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1C 5003537 GQXPNAKZSQURQM-UHFFFAOYSA-N 304.371 2.754 0 50 DFAA CCC(CC)NC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12299133 SHOCZFZLGZXQSS-AWEZNQCLSA-N 320.408 2.869 0 50 DFAA Cc1ccccc1-c1cnnc(N2CCN(C3CCCC3)CC2)n1 12718115 BRSQXRJGNFQIHD-UHFFFAOYSA-N 323.444 2.912 0 50 DFAA O=C(Cc1cccnc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 15076794 AAYCDIDJSIHHQF-QGZVFWFLSA-N 313.376 2.866 0 50 DFAA CCC[C@@]1(CO)CN(CCc2c[nH]c3ccccc23)CC[C@@H]1O 1857724866 QHKRHVZFZFUCMF-OALUTQOASA-N 316.445 2.556 0 50 DFAA COCC[C@H]1COCCN1Cc1oc(-c2ccccc2)nc1C 639652745 VAKJLBLZVQSIDC-INIZCTEOSA-N 316.401 2.887 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)Cc1ccccc1C(F)(F)F 237598561 PEANGFUTILQRBU-CMPLNLGQSA-N 300.324 2.586 0 50 DFAA C[C@@H](CO)C1CCN(C(=O)NCc2cc(F)ccc2F)CC1 650848705 MRIYEORHKNOZIU-NSHDSACASA-N 312.360 2.515 0 50 DFAA CC(=O)N1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2)C1 12586034 NQHFELXHWVCLGW-QGZVFWFLSA-N 308.372 2.799 0 50 DFAA CN1CC[C@@H](NC(=O)c2ccccn2)[C@H]1c1ccc(F)c(F)c1 245686734 NTMIPLQKXNVBNM-GDBMZVCRSA-N 317.339 2.535 0 50 DFAA NC(=O)C[C@H]1CCN(Cc2cc(Cl)cc3cccnc23)C1 367989266 PHVSWPVLDXFNRI-LLVKDONJSA-N 303.793 2.586 0 50 DFAA O=C(CN1CCC(Oc2ccccc2Cl)CC1)NCC1CC1 157358595 DNKYWBGLJXAZFF-UHFFFAOYSA-N 322.836 2.709 0 50 DFAA N[C@H]1CCCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 158213046 UYSKPLSIPWVBFL-ZDUSSCGKSA-N 314.364 2.528 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)[C@H]2COc3ccccc32)c2ccccc21 392505963 MGAKCYTXIHORJI-GJZGRUSLSA-N 323.348 2.768 0 50 DFAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)/C=C(\C)c2ccccc2)C1 818580370 HYPVGGXPULRKPI-FCEHDVOZSA-N 311.385 2.802 0 50 DFAA Cn1nc2ccc(NC(=O)CCCCc3cccnc3)cc2n1 2100534596 OXKQVYUSISXCDJ-UHFFFAOYSA-N 309.373 2.715 0 50 DFAA COC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 90145 YBQXYRZPZULNHG-UHFFFAOYSA-N 318.336 2.943 0 50 DFAA CC1CCC(N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 182018 RVCAENRJBKWNLP-UHFFFAOYSA-N 322.474 2.572 0 50 DFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 255761 ZEKROONARVNIAR-ZDUSSCGKSA-N 322.364 2.927 0 50 DFAA C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccncc1 612273 KZQKOVFSVVAAET-JTQLQIEISA-N 301.371 2.858 0 50 DFAA O=C1NCCc2c(OCCCCN3CCCCC3)cccc21 1546076 RVOUDNBEIXGHJY-UHFFFAOYSA-N 302.418 2.617 0 50 DFAA in-vitro O=C1CCC(=O)N1OCCCOc1cccc(C(F)(F)F)c1 5048928 ADIRFGQRTZIWPZ-UHFFFAOYSA-N 317.263 2.555 0 50 DFAA Cc1ccc(Cl)cc1NNS(=O)(=O)c1cccc(N)c1 5218442 ZJSYLANFGPPDOW-UHFFFAOYSA-N 311.794 2.536 0 50 DFAA CNC(=O)c1ccccc1-c1nc(-c2ccc(OC)cc2)no1 5561903 BOSSEQRJSDPUCJ-UHFFFAOYSA-N 309.325 2.772 0 50 DFAA CCCn1c(SCC(=O)NC2CCCC2)nnc1C1CC1 6400147 SLQLBJIVBCJMAB-UHFFFAOYSA-N 308.451 2.716 0 50 DFAA O=C(NCCCn1ccnc1)c1cc(Br)cs1 6651583 WXEJPBOKLPZTJY-UHFFFAOYSA-N 314.208 2.527 0 50 DFAA C[C@H](COc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)cc1 9302317 BMUKKTUHUDJSNZ-HBUWYVDXSA-N 301.386 2.871 0 50 DFAA biogenic,world Cc1ccccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10358054 ZXKVUXTUCNRFFP-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA O=C(NC[C@H]1CCCCO1)c1cn(CCC2CCCCC2)nn1 12458446 VRWYZRKGKRIMJN-OAHLLOKOSA-N 320.437 2.547 0 50 DFAA Cc1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)n2C 13532903 XWDMXJYOPJBPBO-UHFFFAOYSA-N 313.332 2.577 0 50 DFAA CCc1cc2c(=O)n(NC(=O)c3ccco3)c(=S)[nH]c2s1 17055783 FMKSSRATQIOVHN-UHFFFAOYSA-N 321.383 2.660 0 50 DFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1cc(F)ccc1F 19144661 DDMKVHVFNDBUCE-UHFFFAOYSA-N 307.300 2.888 0 50 DFAA Cc1csc2c(=O)n(CCN3C[C@H](C)C[C@@H](C)C3)cnc12 32553293 MHFBRZAAHKYSJL-VXGBXAGGSA-N 305.447 2.744 0 50 DFAA Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 33359680 DJWLFSWIJSTBFW-UHFFFAOYSA-N 324.789 2.548 0 50 DFAA C[C@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 35585377 OMVRDZBBIJBYQG-HOTGVXAUSA-N 322.474 2.572 0 50 DFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)s1 38482642 LQARHQHLYDRCTA-UHFFFAOYSA-N 321.398 2.637 0 50 DFAA COc1ccc(-n2c([C@H](C)OC(C)C)n[nH]c2=O)cc1Cl 65373479 IXVOLKCVMPSSQN-VIFPVBQESA-N 311.769 2.709 0 50 DFAA CCNC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1 67678378 YYTGUDXKIHSHMW-CQSZACIVSA-N 315.417 2.964 0 50 DFAA COc1cccc(C(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)c1OC 67773102 YGTSBVVJDZHRMT-GFCCVEGCSA-N 317.389 2.877 0 50 DFAA Cn1c(C(=O)NCC2(Cn3ccnc3)CC2)cc2ccccc21 67820078 NEPXOBMYCVTYOL-UHFFFAOYSA-N 308.385 2.585 0 50 DFAA CCN(Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCN(C)C1 67920792 ULHOHTIILQWIGK-AWEZNQCLSA-N 316.424 2.989 0 50 DFAA COCCn1cncc1CN1CCO[C@H](CC2CCCCC2)C1 71758893 KTQJRIOCHSLBHU-GOSISDBHSA-N 321.465 2.701 0 50 DFAA CC[C@@H]1CN(c2ccc(C)nn2)CCC(=O)N1Cc1ccccc1 71761994 OLKMKFWSTXMDKS-QGZVFWFLSA-N 324.428 2.803 0 50 DFAA COc1ccc2c(C)c(C(=O)N(C)CCc3cn[nH]c3)oc2c1 91320332 YYRHUWSGQHMLAU-UHFFFAOYSA-N 313.357 2.788 0 50 DFAA Cc1ccncc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95387101 FAZCHQABANWFNB-IAGOWNOFSA-N 313.445 2.727 0 50 DFAA CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@]2(CCNC2=O)C1 95740465 WQXGOSCVIDAUDS-KSSFIOAISA-N 316.401 2.527 0 50 DFAA in-vitro O=C1CN(Cc2ccnc3ccccc23)CCN1C1CCCC1 97413263 ULLFTHDFPNKFMA-UHFFFAOYSA-N 309.413 2.822 0 50 DFAA CCOc1ccc(CN2CCN(C3CCC3)C[C@H]2CCO)cc1 104529322 BRKKAZISMROISM-GOSISDBHSA-N 318.461 2.506 0 50 DFAA CCO[C@@H]1C[C@H](N[C@H](C)Cc2c(C)nn(C)c2C)C12CCC2 110708164 WLZFUYQNTYGIQJ-OAUYIBNBSA-N 305.466 2.905 0 50 DFAA Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 120683060 BSIQCSMKWIDDJX-CQSZACIVSA-N 322.412 2.996 0 50 DFAA Cc1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)oc1C 121037578 XJXYYYUKIQRXGB-SWLSCSKDSA-N 308.328 2.878 0 50 DFAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1cc(Br)cs1 121781460 IHWATFLCQCQMEA-WPRPVWTQSA-N 317.252 2.853 0 50 DFAA O=C(NCCOC1CCCCCC1)N[C@H]1CCO[C@@H](C2CC2)C1 124261503 KSCWOGCUELUREN-DOTOQJQBSA-N 324.465 2.983 0 50 DFAA COc1ccccc1N1CC[C@H](Sc2nnc(C)s2)C1=O 133843734 NJSLHJLPPHBZDN-LBPRGKRZSA-N 321.427 2.753 0 50 DFAA O=C(c1cc(F)cc2nc(S)[nH]c12)N1C[C@H]2CCC[C@H]2C1 154252359 UCNWYVFYSZZPSL-DTORHVGOSA-N 305.378 2.863 0 50 DFAA CCc1ccc(CC(=O)N2CCCc3c(C(N)=O)cccc32)cc1 172764353 BATVHQKQQDGJEZ-UHFFFAOYSA-N 322.408 2.870 0 50 DFAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc2cc(F)ccc2s1 179385976 FXKUNSDBIBHGJL-LBPRGKRZSA-N 320.389 2.781 0 50 DFAA CCc1nc(CN2CCC(c3cccc(OC)c3)CC2)n[nH]1 184576954 AESWYTAIOCYQJC-UHFFFAOYSA-N 300.406 2.755 0 50 DFAA Cc1nc(C)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)nc1C 184705520 GFXQJINFYXSGHB-KRWDZBQOSA-N 324.428 2.531 0 50 DFAA O=C(Cc1cncs1)Nc1cc2c(cc1Cl)OCCO2 188074816 XSBJSFJBLHCLCG-UHFFFAOYSA-N 310.762 2.749 0 50 DFAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCc2[nH]ncc2C1 215785552 QXTVCKCZFVMOPS-UHFFFAOYSA-N 320.396 2.968 0 50 DFAA CCCN1CCCN([C@@H](C(=O)O)c2cc(F)ccc2F)CC1 217055377 XBFYFENCKAMAFP-OAHLLOKOSA-N 312.360 2.508 0 50 DFAA CCc1ccc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)[nH]1 219284971 ISCVDFMLLSBOBM-INIZCTEOSA-N 313.401 2.794 0 50 DFAA COc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 225538692 PSZJGLYCPRMPKQ-NVXWUHKLSA-N 315.344 2.782 0 50 DFAA COc1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)ccc1C 237239121 XUQWZLNHSLTTAU-CYBMUJFWSA-N 305.374 2.721 0 50 DFAA Cc1nc(CN(C)CC2(N3CCOCC3)CCCCC2)cs1 244795411 RFYZDFQOVAQCLP-UHFFFAOYSA-N 323.506 2.918 0 50 DFAA O=C(CCc1cc(F)ccc1F)N1CCC[C@H]1c1ncc[nH]1 253423010 SDTNHPHCHKUZCX-AWEZNQCLSA-N 305.328 2.984 0 50 DFAA Oc1cc([C@H]2C[C@@H](NC3CCCCC3)C2)nc(N2CCCC2)n1 253534785 CUBUEGSCRWGIBC-OTVXOJSOSA-N 316.449 2.951 0 50 DFAA C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CC[C@@H]1C(=O)O 263142809 YMGSQEJNZCKBNO-KEYYUXOJSA-N 315.413 2.751 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H]([C@@H](C)N)C1 269300967 XKGGKUPSZDFFCN-FRRDWIJNSA-N 310.825 2.693 0 50 DFAA COc1ccc(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)nn1 279601102 PJNLOASUMNXBNU-STQMWFEESA-N 324.384 2.726 0 50 DFAA C[C@H](NC(=O)N1C[C@H](C2CC2)O[C@H](C)C1)c1cccc(O)c1 279631317 VQLQFXAHVKOPRH-BFQNTYOBSA-N 304.390 2.662 0 50 DFAA O=C([C@@H]1CCCO1)N1CCC(c2noc3cc(F)ccc23)CC1 290932848 NPVWHWLFAKYAQP-AWEZNQCLSA-N 318.348 2.852 0 50 DFAA Cc1[nH]nc(CCC(=O)N[C@@H]2COC3(CCCCC3)C2)c1C 299772999 CALWYDXVYYKTIF-AWEZNQCLSA-N 305.422 2.567 0 50 DFAA CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCCCS1 337007178 AJAHAMIQFAZHQT-CHWSQXEVSA-N 314.495 2.575 0 50 DFAA CCc1nn(C)cc1C(=O)NCc1cc(F)c(Cl)cc1F 345545918 QTVAMBMLHPSBRC-UHFFFAOYSA-N 313.735 2.844 0 50 DFAA Cc1cc[nH]c1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 456320859 COFPLKDSSOSNLO-HNNXBMFYSA-N 311.429 2.917 0 50 DFAA c1ccc(Cn2nncc2CNc2ccc3[nH]ncc3c2)cc1 491283052 JZFYUVKGSPXUPA-UHFFFAOYSA-N 304.357 2.815 0 50 DFAA Cc1nccn1CCC(=O)N[C@@H](C)c1nc2c(s1)CCCC2 534641440 VGGLKWMATLQNJM-NSHDSACASA-N 318.446 2.794 0 50 DFAA CCCc1nnc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)s1 584894622 ANCNRJCJKMUPDQ-CYBMUJFWSA-N 317.414 2.676 0 50 DFAA Cc1cccc([C@H](NC(=O)CCCN2CCCC2)C2CC2)n1 584899302 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DFAA C[C@H](Cn1cncn1)C(=O)NC(c1ccccc1)c1ccccc1 827628094 SNPDPFJVZVIMAT-OAHLLOKOSA-N 320.396 2.820 0 50 DFAA COc1cccc2sc(NC(=O)[C@@H]3NCC34CCCC4)nc12 852778684 SHDALPVRDBQPSX-ZDUSSCGKSA-N 317.414 2.776 0 50 DFAA COCc1cc(C2CN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)no1 886086046 PQOYFAYEFXMTTQ-GFCCVEGCSA-N 306.406 2.963 0 50 DFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3F)C2)o1 952890563 DAXPQXIQRMWXNI-MNOVXSKESA-N 321.327 2.797 0 50 DFAA CCc1cnc(N2CCC(CNC(=O)C3CCCC3)CC2)nc1 952963226 IFYRUDHQTMXCFJ-UHFFFAOYSA-N 316.449 2.562 0 50 DFAA Cc1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)cc1C 1615733730 PGKVDBZBMKCPFH-ROUUACIJSA-N 310.397 2.686 0 50 DFAA CCn1cc(C(F)(F)C(=O)N2CCCCc3ncccc32)cn1 1776008198 PJFGMIFLYRKVHI-UHFFFAOYSA-N 320.343 2.759 0 50 DFAA Cc1nc(C)c(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)s1 1800410019 MYNYJLMPANLXLK-MRXNPFEDSA-N 316.430 2.603 0 50 DFAA CC1(C)CCC[C@@H]1OC(=O)[C@H]1CCCN(c2cc(O)ncn2)C1 1875305650 WKYNOCIQUTVZRK-STQMWFEESA-N 319.405 2.521 0 50 DFAA O=C1CCCN1[C@@H]1CCC[C@@H](N=c2c(F)c[nH]cc2Cl)C1 1875392785 UOMFRQNMVOQGQE-GHMZBOCLSA-N 311.788 2.642 0 50 DFAA COc1ccc([C@@H](C)Nc2ncc3ncn(C)c3n2)cc1F 2100557176 OVPYXZBYEDFXEY-SECBINFHSA-N 301.325 2.684 0 50 DFAA C[C@H]1CN(c2ccc(Nc3ncc4cccnc4n3)cc2)CCO1 2325792930 WHFNDFHBKPYHAZ-ZDUSSCGKSA-N 321.384 2.994 0 50 DFAA CC1(C)CN(c2ncnc3c2ncn3CCCCCO)C1(C)C 2325815165 DNWMUFQJGODSEE-UHFFFAOYSA-N 317.437 2.614 0 50 DFAA CCCCn1nc(CC(C)C)c2c(N3CC(F)C3)ncnc21 2356168557 INTJQYALZAIWJB-UHFFFAOYSA-N 305.401 2.983 0 50 DFAA COc1ccc(CNC(=S)NCCc2ccccc2)cc1 1153180 JGIADHLLONVDID-UHFFFAOYSA-N 300.427 2.902 0 50 DFAA CCNC(=O)N(Cc1nc(-c2ccc(OC)cc2)no1)C(C)C 7781844 RBKGPXDFZWPJEP-UHFFFAOYSA-N 318.377 2.685 0 50 DFAA Cc1cccn2c(CC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C43CC3)cnc12 102281993 OLQARHWQVRRJHG-BFYDXBDKSA-N 321.424 2.904 0 50 DFAA C[C@H]1CN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C[C@@H](C)O1 227375558 WBYDZFXCYAGPFY-ZNMIVQPWSA-N 310.438 2.687 0 50 DFAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccccc1Cl 247705526 DFQZEXSRZOFQCM-UBHSHLNASA-N 320.820 2.700 0 50 DFAA Cc1nc(-c2ccc(N[C@H](CN)CC(C)C)nc2)nc(O)c1C 420197450 XJOUAVAKMYXAOG-AWEZNQCLSA-N 315.421 2.646 0 50 DFAA COc1cccc([C@@H](C)NC(=O)CCC(=O)NC2CCCC2)c1 55393145 ZZAJTSYFBXWXRM-CYBMUJFWSA-N 318.417 2.711 0 50 DFAA O=C(Cn1cnc2ccccc21)NC1C2CC3CC(C2)CC1C3 10006537 OVCHNTBNAQXILJ-UHFFFAOYSA-N 309.413 2.977 0 50 DFAA Cc1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 10357531 POJZHPHKTOHPAZ-UHFFFAOYSA-N 318.398 2.927 0 50 DFAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CC1CCOCC1 347734551 HPEUQZWJYBSFCP-NUJGCVRESA-N 309.450 2.735 0 50 DFAA Cc1nc(NCCN2CCCCCC2)cc(C2CCNCC2)n1 67981669 QYRKOQXRDQGHNG-UHFFFAOYSA-N 317.481 2.540 0 50 DFAA COCCCCC(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C 425034702 GXGHMIQKEVUBFD-HIFRSBDPSA-N 313.438 2.772 0 50 DFAA CSc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1 121278284 UQKXMSNJTYTWJN-UHFFFAOYSA-N 304.459 2.853 0 50 DFAA Cc1cc(C=C2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)no1 366861238 CFWCJTAINYUMOK-KRWDZBQOSA-N 304.390 2.540 0 50 DFAA CCc1cc(CN(C)Cc2cc3ccc(F)cc3[nH]c2=O)on1 67909965 BLSVSWMKJJZBIU-UHFFFAOYSA-N 315.348 2.850 0 50 DFAA Cc1ccn(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(=O)c1 253421101 PUIWIMULUNPPBA-BBVFFXRHSA-N 322.408 2.861 0 50 DFAA Cc1coc(-c2cccc(NC(=O)c3c[nH]c(=O)cc3C)c2)n1 150778080 VIKQRVAKKSFCNH-UHFFFAOYSA-N 309.325 2.899 0 50 DFAA O=C(c1ccccc1)c1c[nH]c(C(=O)NCc2cccnc2)c1 4052105 PUJQRNWLZOKULI-UHFFFAOYSA-N 305.337 2.571 0 50 DFAA OCc1ccc(-c2nccn2Cc2noc(C3CCCC3)n2)o1 72448073 AMDZAJFGYLIIBK-UHFFFAOYSA-N 314.345 2.724 0 50 DFAA COCc1ccccc1CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 237172248 FRICFQUUSUFSCS-KSSFIOAISA-N 312.413 2.785 0 50 DFAA CCn1ccnc1[C@H](C)N1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O 333885781 FRZCESNBWLZWFT-DGAVXFQQSA-N 316.405 2.559 0 50 DFAA C[C@H](NC(=O)c1ccoc1C1(O)CCOCC1)c1ccccc1 370579306 IZGYUJQOGINMAW-ZDUSSCGKSA-N 315.369 2.769 0 50 DFAA Cc1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc1 39362414 REKGHGWPVXXAJH-LJQANCHMSA-N 304.478 2.910 0 50 DFAA O=C(c1cc2n(n1)CCCC2)N1CCc2c(F)ccc(F)c2C1 450075392 HQESVPGMAWICLM-UHFFFAOYSA-N 317.339 2.696 0 50 DFAA Cc1cc(C(=O)NCCCn2cnnc2)c2ccc(C)c(C)c2n1 77321213 BKCXECIGIVYABG-UHFFFAOYSA-N 323.400 2.572 0 50 DFAA O=C(O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2F)n1 238088027 WGHXRCURZXWVRP-GFCCVEGCSA-N 320.345 2.638 0 50 DFAA CC(C)n1nc(O)c2c1NC(=O)C[C@@H]2c1cc(F)ccc1F 72115790 PGSCJMVTLFRGQK-SNVBAGLBSA-N 307.300 2.922 0 50 DFAA C[C@H](c1ccccc1)n1nnnc1N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 72157381 PKNQQCMMNPJWRR-CMZRPVNOSA-N 309.417 2.765 0 50 DFAA COC(=O)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(O)c1 343132324 JTMQAWJMHNNANO-INIZCTEOSA-N 324.336 2.518 0 50 DFAA Cc1scc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1C 378400832 JJYAEHQXIFPTIM-ZDUSSCGKSA-N 305.403 2.993 0 50 DFAA CCN(CC)CCNc1ccc(S(=O)(=O)O)c2ccccc12 71767087 VUFNCVLKBWOAQN-UHFFFAOYSA-N 322.430 2.840 0 50 DFAA CC(C)Cc1cc(C(=O)NCCc2ccccc2F)n(C)n1 72408272 BSBXXOBRYTWHRH-UHFFFAOYSA-N 303.381 2.730 0 50 DFAA CCCCS(=O)(=O)Cc1nc(O)c2cc(Cl)ccc2n1 241965564 UTWPVRCBSCOBQI-UHFFFAOYSA-N 314.794 2.704 0 50 DFAA COc1ccc(OC[C@H]2CCCN(C(=O)CSC)C2)cc1 77505138 JHTPIQMKQMWUHS-ZDUSSCGKSA-N 309.431 2.676 0 50 DFAA CNc1ccc(C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)cn1 285786661 UKLBUDDIDKWISY-CQSZACIVSA-N 319.792 2.894 0 50 DFAA O=C(N1CCC[C@@]2(CCNC2)C1)C1(c2ccc(Cl)cc2)CC1 289284669 QMVOZOGWYHACRJ-KRWDZBQOSA-N 318.848 2.974 0 50 DFAA CCN1C(=O)C2=C(CCCC2)[C@H](C(=O)Nc2ccccc2)C1=O 44125789 XDCHIOKOYSYFDM-OAHLLOKOSA-N 312.369 2.501 0 50 DFAA CC1=CCN(C(=O)NCCN2CC[C@H](c3ccccc3)C2)CC1 426599027 WNGHQNHWUGJWTJ-SFHVURJKSA-N 313.445 2.838 0 50 DFAA O=C1CCCN1CC(=O)N1CCCCC[C@@H]1c1cccc(F)c1 95496682 PNNRPABKBPINSU-MRXNPFEDSA-N 318.392 2.892 0 50 DFAA CNC(=O)C[C@@H](C)N(C)C(=O)Nc1ccc(C)c2ncccc12 426571516 NGHSTHGMEGRBLN-GFCCVEGCSA-N 314.389 2.532 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)NCCCc1ccncc1 91459672 VDOFIPASTFLQGX-UHFFFAOYSA-N 300.406 2.784 0 50 DFAA COc1nccnc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 294496220 AKLNBTJOHFVHTE-OAHLLOKOSA-N 319.792 2.712 0 50 DFAA COCc1ccc(C(=O)NCc2ccc(OC)c(F)c2F)o1 96152133 PJEVBAGCILCONJ-UHFFFAOYSA-N 311.284 2.643 0 50 DFAA CN(C(=O)[C@H]1CCCN(Cc2ccco2)C1)C1CCSCC1 95510730 XHRWZQRPDKQTQD-AWEZNQCLSA-N 322.474 2.846 0 50 DFAA CCOCCOc1cccc(-c2nc([C@@H]3CCOC3)no2)c1 96152996 HQEKHNPORWMXOO-CYBMUJFWSA-N 304.346 2.656 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(F)c1F)C2 95372352 IGAPKLCVPMLWLF-CHWSQXEVSA-N 308.372 2.911 0 50 DFAA Cc1cc(Cl)cc(C)c1OCCOCCN1CCOCC1 23549900 CTVSZJNHRRLDRE-UHFFFAOYSA-N 313.825 2.684 0 50 DFAA CCOc1cccnc1C(=O)N1CC2(CCCC2)OC[C@H]1C 622969574 MMUXZAAISISZQA-CYBMUJFWSA-N 304.390 2.654 0 50 DFAA O=C(N[C@@H](C(F)F)C1CCCCC1)c1cc2n(n1)CCCO2 623006551 JDRYTRHSHBGSCS-CYBMUJFWSA-N 313.348 2.609 0 50 DFAA CC(C)C[C@H](CNC(=O)[C@H]1CCCc2c(O)cccc21)C(=O)O 585134134 FTKPVZUBDIOUJW-DOMZBBRYSA-N 319.401 2.675 0 50 DFAA Cc1cccc([C@H](NC(=O)c2nn(C)cc2Cl)C2CC2)n1 584885669 JZVWDSPMVLRVEZ-CYBMUJFWSA-N 304.781 2.658 0 50 DFAA O=C(C[C@@H]1CCOC1)N1CCC(Oc2cccc(F)c2)CC1 584898754 CWCGLRHZESXUBZ-ZDUSSCGKSA-N 307.365 2.622 0 50 DFAA CC[C@H](O)Cn1nc(-c2ccc(SC)cc2)nc1COC 670448182 FSLSOHXJMSOFRV-LBPRGKRZSA-N 307.419 2.584 0 50 DFAA CCOC1CC(CC(=O)N2C[C@H](N3CCCC3)C[C@H]2C(C)C)C1 1457091190 LQWCLMKVJKQRRA-FPQWYMTMSA-N 322.493 2.913 0 50 DFAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1c(C)cc(C)cc1OC 1875371189 RUCWDHITPHUYCZ-CQSZACIVSA-N 318.417 2.524 0 50 DFAA N=c1[nH]n(C(=O)c2cscn2)c2ccc(C(F)(F)F)cc12 1875330522 RYADBOVMUQDZLT-UHFFFAOYSA-N 312.276 2.613 0 50 DFAA CC[C@H](C)c1ccc(C(=O)N[C@H]2C[C@H](C)n3ccnc32)c(O)n1 1875308921 HYPSMMHFAWRNEX-MJVIPROJSA-N 314.389 2.933 0 50 DFAA O=C(C1CCCCCC1)N1CCCN(C[C@@H]2CCCOC2)CC1 980821799 ARFCVZMGIXWKPO-KRWDZBQOSA-N 322.493 2.918 0 50 DFAA CC(C)(C)OC(=O)NCC1(C(=O)O)CC2(CC(F)(F)C2)C1 1775954883 SAIIXZXMHCRDOR-UHFFFAOYSA-N 305.321 2.791 0 50 DFAA FC(F)(F)c1cnc([C@H]2CCCN(Cc3cncnc3)C2)[nH]1 278819505 ZGHKVLPJYCIQGM-NSHDSACASA-N 311.311 2.598 0 50 DFAA C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)CC2(O)CCCCC2)C1 170626703 PWZVQLYHYOIESK-HOTGVXAUSA-N 324.509 2.944 0 50 DFAA CCN1CCC(n2nccc2NCc2ccnn2C(C)C)CC1 280102843 BNOYSQOIFFNEKG-UHFFFAOYSA-N 316.453 2.929 0 50 DFAA CS(=O)(=O)CCN[C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 585086702 DUWOBUUCJUNBHW-HIFRSBDPSA-N 315.866 2.685 0 50 DFAA Cc1nn(C)cc1[C@H](C)NS(=O)(=O)CC1(C)CCCCC1 408307115 GBFMUGWJQVDITQ-ZDUSSCGKSA-N 313.467 2.679 0 50 DFAA Cc1ccccc1CNC(=O)C1CCN(CC(F)(F)F)CC1 225506273 WUUKLOWGPVPURA-UHFFFAOYSA-N 314.351 2.886 0 50 DFAA COC[C@H](C)n1ccc(NC(=O)N2CCc3ccccc3C2)n1 189873391 HYRVCMOVJRMUBA-ZDUSSCGKSA-N 314.389 2.681 0 50 DFAA CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)c1ncon1 189890014 CHXPZYDAXYHBQW-VIFPVBQESA-N 309.753 2.542 0 50 DFAA CN1C(=O)CCc2cc(CNc3ccc4oc(=O)[nH]c4c3)ccc21 191951218 JGDXASBLBGZXGD-UHFFFAOYSA-N 323.352 2.642 0 50 DFAA Cc1noc2ncnc(NCc3ccc(OCC4CC4)nc3)c12 195512065 BLIBBRCQZDLSRS-UHFFFAOYSA-N 311.345 2.722 0 50 DFAA CSC[C@H]1CCCN(C(=O)c2ncn3ccc(C)cc23)C1 597692825 XFKXWQONWPKELN-ZDUSSCGKSA-N 303.431 2.858 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cccc3ccncc13)C2 659218871 BANGDDPRAJHSMV-DJSGYFEHSA-N 310.353 2.560 0 50 DFAA O=C(O)c1ccc(CN2CC[C@@]3(CCc4ccccc4O3)C2)o1 659795845 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Cn1c(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc2ccccc21 118952727 JSIQLIDFWOADNT-HNNXBMFYSA-N 320.396 2.582 0 50 DFAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 6726613 ADYXVQVLTHLZKR-CYNAHEBQSA-N 305.418 2.818 0 50 DFAA Cc1cc(C)c(C)c(C(=O)NCCSc2ncn[nH]2)c1C 63857309 GYUNCMHXBVWCDN-UHFFFAOYSA-N 304.419 2.560 0 50 DFAA O=C(O)[C@@H]1[C@@H](C(=O)NCCc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 100799853 VFPBSKPRXHYBFY-JURCDPSOSA-N 319.788 2.522 0 50 DFAA Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3cncn3)C2)s1 229438078 AXBAWZBDZCYPQR-MGPQQGTHSA-N 316.430 2.615 0 50 DFAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H](C)CC1CCOCC1 328644089 RQWSCPIMLFADHI-BPUTZDHNSA-N 307.438 2.528 0 50 DFAA CCn1cc([C@H]2OCCC[C@@H]2Nc2ccnc(C(C)C)n2)cn1 328628319 NOYWJGFXSKCCIY-GOEBONIOSA-N 315.421 3.149 0 50 DFAA C[C@@H](c1ccccn1)N(C)c1cc(N[C@H]2CCCOC2)ncn1 328656395 ZHNPKWJGBRPMFC-KBPBESRZSA-N 313.405 2.660 0 50 DFAA CCc1nc(CNC(=O)[C@H](c2cccc(C)c2)N(C)C)cs1 65404602 JOFXQHXWZNJFFG-INIZCTEOSA-N 317.458 2.933 0 50 DFAA c1ccc(-c2nc3c(c(NCc4cccnc4)n2)CCNC3)cc1 67967529 RPWBEAQDVVHTJJ-UHFFFAOYSA-N 317.396 2.796 0 50 DFAA CNC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)cn1C 1391030 NGQIWWXZRCFFBR-UHFFFAOYSA-N 311.168 2.923 0 50 DFAA O=S(=O)(CC12CCC(CC1)CC2)N1CCc2cnccc21 330347431 HQEJCKYMVLZLLR-UHFFFAOYSA-N 306.431 2.744 0 50 DFAA CC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)O 236921996 WZGWFYJTFVXIMM-JOYOIKCWSA-N 317.307 2.863 0 50 DFAA O=C(Nc1ccc(C2CC2)nn1)N1CCCc2ccccc2CC1 333572400 YHUWUSQSFKQRDT-UHFFFAOYSA-N 322.412 3.377 0 50 DFAA Cc1cccc(OCCCCC(=O)N2CCC[C@H]2C(=O)O)c1 237708040 ZGLMZJJTXHDQNG-HNNXBMFYSA-N 305.374 2.620 0 50 DFAA Cc1nc(CC(=O)N2CCCC[C@H]2CCn2cccn2)cs1 72481316 QPLVATHTKXRDHJ-HNNXBMFYSA-N 318.446 2.662 0 50 DFAA COc1ccc(C[C@H]2NC[C@H](Sc3ccccc3)[C@H]2O)cc1 71769636 MJXLFLYRBBXSGG-SQNIBIBYSA-N 315.438 2.731 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1cc2ccc(Cl)cc2[nH]1 238050013 BWPZVJLQOJPQAD-CYBMUJFWSA-N 306.749 2.901 0 50 DFAA Cc1cc(-c2nnc(CCC(=O)N3CCCCCCC3)o2)no1 14951866 FLKHGHYZKJIRCE-UHFFFAOYSA-N 318.377 2.758 0 50 DFAA CN(Cc1cnn(-c2ccc(F)cc2)c1)c1ncnc2c1CCC2 77439498 JSZMHUXHRKPHJD-UHFFFAOYSA-N 323.375 2.927 0 50 DFAA CC[C@H](C)[C@H](O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 378310183 OMDPWVCPDXSPPA-SVGFKBNWSA-N 305.418 2.508 0 50 DFAA CCC(=O)Nc1cc(-n2ccnc2-c2ncc[nH]2)ccc1OC 77520095 IHRBUMVMVPTCPJ-UHFFFAOYSA-N 311.345 2.620 0 50 DFAA O=C(COc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]2OCC[C@H]12 219232589 JQGPIVJQHQTIKP-ICCXJUOJSA-N 316.184 2.666 0 50 DFAA CCc1cc(N2Cc3ccccc3OC(C)(C)C2)n2ncnc2n1 341035025 IVERYRSDNYRTPQ-UHFFFAOYSA-N 323.400 2.864 0 50 DFAA CC(C)N(CC(F)F)C(=O)c1cnn(-c2ccccc2)c1N 612589911 MKXCRNMBICUYTL-UHFFFAOYSA-N 308.332 2.570 0 50 DFAA CSc1nc(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)cs1 221345127 OSUPETJIQYAYLF-UHFFFAOYSA-N 308.432 2.738 0 50 DFAA Cn1cnc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 179253784 BEYHPSOFMIOFCM-UHFFFAOYSA-N 320.396 2.700 0 50 DFAA Cc1nc([C@H]2CCCN2C(=O)c2ccn(C(C)(C)C)c2)n[nH]1 221191656 UYYRSVRCQFIQGV-CYBMUJFWSA-N 301.394 2.647 0 50 DFAA Cc1nc2ccc(C(=O)N3C[C@@H](C)[C@](O)(C(C)C)C3)cc2o1 92022645 SAZHXTCZKNGRCB-PIGZYNQJSA-N 302.374 2.615 0 50 DFAA O=C(NCCc1cccnc1)c1cc(-c2ccccc2F)n[nH]1 91986423 OECSQSZEUMVAHY-UHFFFAOYSA-N 310.332 2.583 0 50 DFAA CCc1nc(C)c(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)o1 97515175 YQIGLTDOQJWBCQ-GFCCVEGCSA-N 304.394 2.587 0 50 DFAA Cc1nc(NCc2noc([C@@H]3CCCO3)n2)c2sccc2n1 91452193 ZXJHMBWCVXTTLR-JTQLQIEISA-N 317.374 2.846 0 50 DFAA COCc1nc([C@H]2CCOC2)nn1-c1nc2ccccc2s1 97117038 OTWPAXDTMBIKOS-JTQLQIEISA-N 316.386 2.527 0 50 DFAA c1cc(-c2nc([C@H]3CCOC3)n[nH]2)ccc1-c1noc(C2CC2)n1 97346803 OOHRCVNISXATBO-ZDUSSCGKSA-N 323.356 2.903 0 50 DFAA CC(C)SCCN1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 91289390 ZXCYTCYQTLIPFT-QGZVFWFLSA-N 310.507 2.995 0 50 DFAA Cc1ccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)c1 239284814 CBUGEEDRWFOKJU-WKLICJCCSA-N 322.408 2.726 0 50 DFAA Cc1nn(C)c(C)c1CN(C)[C@H](C(=O)O)c1ccc(F)cc1F 95371875 MBHYGYDQJMSIHW-HNNXBMFYSA-N 323.343 2.573 0 50 DFAA Fc1cccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c12 92038944 NVQFKNPAQNZSLI-MRXNPFEDSA-N 308.360 2.920 0 50 DFAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H](C)c1ccc(O)c(F)c1 96131079 WKQNMFWPCDNPSR-VIFPVBQESA-N 305.353 2.681 0 50 DFAA COC(=O)c1ccccc1CN1CC[C@@H](C)[C@H](n2ccnc2)C1 246124510 KNJZWOBEKLFZMC-RHSMWYFYSA-N 313.401 2.753 0 50 DFAA C[C@H]1CN(C(=O)c2csc(Cc3cccc(F)c3)n2)CCO1 182747387 USDAOGATDDKSBU-NSHDSACASA-N 320.389 2.734 0 50 DFAA O=C(NC[C@@H]1C[C@]12CCc1ccccc12)NO[C@@H]1CCCCO1 164192263 HSQISFMLKCXBNQ-YXJHDRRASA-N 316.401 2.648 0 50 DFAA Cc1nc(O)cc(CN(C)Cc2cc(-c3ccccc3)on2)n1 252509884 YXMFVZHUDGREFC-UHFFFAOYSA-N 310.357 2.778 0 50 DFAA N[C@H](C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1 299753234 XKFQPMPTGPVGNV-FHWLQOOXSA-N 324.424 2.801 0 50 DFAA Cc1ccccc1CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299740516 BHBUUWHUXCZPBC-KRWDZBQOSA-N 324.428 2.698 0 50 DFAA Cn1ccnc(NC[C@H](O)c2ccc(-c3ccccc3)cc2)c1=O 185307661 VYAIKUYDCXQJGM-KRWDZBQOSA-N 321.380 2.593 0 50 DFAA CCN(C(=O)c1scc(C)c1Cl)[C@H](C)CS(C)(=O)=O 277296843 ROKMLFHLIFHELX-SECBINFHSA-N 323.867 2.605 0 50 DFAA Cc1cnc(C)c(N2CCCN(C(=O)c3ccsc3)CC2)n1 273843020 IGUCGCAIWKVVRN-UHFFFAOYSA-N 316.430 2.507 0 50 DFAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccc(O)cc1)C2 95354237 OZOZMGDSYKZWLX-IAGOWNOFSA-N 316.445 2.658 0 50 DFAA O=C(CSCC1CC1)NCc1c[nH]nc1-c1ccccc1 299788779 VKLBDAMWDYKXCN-UHFFFAOYSA-N 301.415 2.836 0 50 DFAA COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)N1CCCCCCC1 299771119 SOLVWWUGAGGCGA-UHFFFAOYSA-N 318.377 2.663 0 50 DFAA CCC(=O)Nc1ccc(OC)cc1NC(=O)c1cccc(C)n1 822535816 LWSFLULFWVWOQP-UHFFFAOYSA-N 313.357 2.999 0 50 DFAA C[C@H](Cn1cnc2c(Cl)ccc(Cl)c2c1=O)N(C)C 584896604 ZKOUKHKITMHJPN-MRVPVSSYSA-N 300.189 2.653 0 50 DFAA Cc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)O)c(C)o1 952889632 CXPVFTGYMVBWBS-CYBMUJFWSA-N 317.345 2.685 0 50 DFAA O=C1CCC[C@H](CC(=O)N(Cc2ccccc2)C2CCC2)N1 1875274500 DZBSTOAZEFYJNK-OAHLLOKOSA-N 300.402 2.627 0 50 DFAA O=C(NCc1cc2cnccc2[nH]1)N[C@H]1CCCc2cnccc21 1875325375 WVCZGVPTWLGWDA-KRWDZBQOSA-N 321.384 2.835 0 50 DFAA CCn1nc(C(C)C)cc1C(=O)N[C@H]1[C@@H](OC)[C@@H]2CCC[C@H]21 1875396618 OTIURQLJAMBZGM-BHTHQVBYSA-N 305.422 2.570 0 50 DFAA Cc1ncnc(C)c1C(=O)Nc1cccc(N2C(=O)CC[C@@H]2C)c1 952971081 CDTULGBGRDCDBP-NSHDSACASA-N 324.384 2.861 0 50 DFAA Cc1nc[nH]c1C(=O)N1CCN(c2cccc(Cl)c2C)CC1 890994015 UXUISRVDXAPIID-UHFFFAOYSA-N 318.808 2.642 0 50 DFAA CC[C@H](C(=O)N1CCC[C@@H](Cc2nc(C)cs2)C1)N(C)C 899542438 ILVMPVXSXGWTFJ-UONOGXRCSA-N 309.479 2.573 0 50 DFAA O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccccc1 19841436 KXFOPHOCMIOFOB-UHFFFAOYSA-N 323.440 2.833 0 50 DFAA CC1(C)Cc2ccccc2N1Cc1cn(C[C@@H]2CCOC2)nn1 585137987 GKGZQHHQGOOECZ-AWEZNQCLSA-N 312.417 2.656 0 50 DFAA O=C1[C@@H]2CCCCN2C(=O)N1[C@H](c1ccccc1)c1ccccn1 225554694 DQCGRKJNUZGYFU-DLBZAZTESA-N 321.380 2.988 0 50 DFAA Fc1ccc(Cl)c(CN2CCO[C@H](Cn3cccn3)C2)c1 188962285 VWDUVACAZPHHLI-AWEZNQCLSA-N 309.772 2.577 0 50 DFAA C[C@@H](CSc1ccc2nnc(-c3ccccc3)n2n1)C(=O)O 736617440 GIZXSGZKSKFCDA-JTQLQIEISA-N 314.370 2.604 0 50 DFAA Cc1ncc2c(n1)CCN(C(=O)c1cccc(-n3cccc3)c1)C2 642591956 YXNHQPPYBPYOFK-UHFFFAOYSA-N 318.380 2.774 0 50 DFAA CCCN1C[C@@H](N=c2cc(C)[nH]c3ccc(F)cc23)CC1=O 1506420373 ARPQALSCJNYZOV-ZDUSSCGKSA-N 301.365 2.527 0 50 DFAA C[C@@H](c1ccccc1)n1nccc1NC(=O)CC1CCNCC1 1529174454 UJJIWCXPQXDKCG-AWEZNQCLSA-N 312.417 2.821 0 50 DFAA CO[C@@H]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 1704344836 PBQYZXTZWWZNSU-SJORKVTESA-N 323.458 2.965 0 50 DFAA CCC(C)(C)OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C 8844706 RMPHPLPPWRKPCS-CQSZACIVSA-N 301.471 2.566 0 50 DFAA Cc1nc(N2CC[C@@H](O)C2)ncc1/C=C/c1cc(F)cc(F)c1 1616039241 ROJLBGLHPAFOKM-WOMSROEHSA-N 317.339 2.805 0 50 DFAA Cc1[nH]c2ccccc2c1C(=O)N1CC[C@@H](c2ncccn2)C1 1645330441 RZHWGFZEZAVDSF-CYBMUJFWSA-N 306.369 2.896 0 50 DFAA CCOc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)cc1 5673490 YFNWSDLLPIHWGF-UHFFFAOYSA-N 316.445 2.920 0 50 DFAA COc1ccccc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 19771087 FAYSMRIAJFOPIT-SFHVURJKSA-N 318.461 2.506 0 50 DFAA CO[C@H]1CCNC[C@H]1n1ccnc1-c1coc(-c2ccccc2)n1 1857673343 OBBVWBTXGFYLMJ-CVEARBPZSA-N 324.384 2.755 0 50 DFAA COc1ccc(C)nc1N1CCN(c2ccc(F)cn2)[C@@H](C)C1 1857678216 ISIUCUMGORALQF-ZDUSSCGKSA-N 316.380 2.648 0 50 DFAA CC(C)(C)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1 1857680684 MNKZYEKUCPPAPN-UHFFFAOYSA-N 315.417 2.646 0 50 DFAA O=S(=O)(c1ccccc1NC[C@@H](O)C1CCCC1)C(F)F 301303125 WIUZQTQBZSAAPS-GFCCVEGCSA-N 319.373 2.646 0 50 DFAA CC[C@H](C)OCc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 225596990 QBGYGQHBMKXIFO-STQMWFEESA-N 315.373 2.905 0 50 DFAA CCn1cc(C(=O)Nc2ccc(CC(=O)O)cc2)c(C2CC2)n1 630159966 IVKVHSMKKZZACG-UHFFFAOYSA-N 313.357 2.660 0 50 DFAA CC(C)(C)c1csc([C@H]2CN(C(=O)[C@@H]3CCCO3)CCO2)n1 239672738 BUYYGKOBSLURMR-NWDGAFQWSA-N 324.446 2.520 0 50 DFAA CN(C)C(=O)O[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 496760854 WKXGGUFTOZLTSD-AWEZNQCLSA-N 324.808 2.572 0 50 DFAA O=C(C[C@@H]1CSCCS1)N[C@H]1C[C@H](Oc2ccccc2)C1 855748127 GEKYDVOVLLKSPP-BPLDGKMQSA-N 323.483 2.951 0 50 DFAA O=C(N[C@H](CCO)C1CCCCC1)c1cnc(NC2CC2)s1 901095895 YMBMRFJVDXFILP-CYBMUJFWSA-N 323.462 2.779 0 50 DFAA Cc1nnccc1NC(=O)NCC[C@H]1OCCc2ccccc21 930816726 OIPJIZBECNFXGT-MRXNPFEDSA-N 312.373 2.611 0 50 DFAA CCc1onc(C)c1CN1CC[C@H](Oc2ccc(C)cn2)C1 931268712 CWAPYJSYUYUPHX-AWEZNQCLSA-N 301.390 2.902 0 50 DFAA Cc1nn(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1Br 2780789 NGDFTEKEIIGRAK-WCBMZHEXSA-N 314.227 2.800 0 50 DFAA COC[C@H]1CN(c2cc(C(F)(F)F)cc(Cl)n2)CCO1 408516834 PQQGEDMDOBCLLU-SECBINFHSA-N 310.703 2.605 0 50 DFAA CC(C)(C)OC(=O)N1CC[C@H](NCC2CCOCC2)C12CCC2 858227621 QGACKINXOCQTOY-HNNXBMFYSA-N 324.465 2.935 0 50 DFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1 267728 BOZMDSWFBJTFRW-UHFFFAOYSA-N 309.318 2.633 0 50 DFAA Cc1ccc(NC(=O)c2ccco2)c(NC(=O)[C@@H]2CCCO2)c1 367900 MINLCHOTSHORBZ-HNNXBMFYSA-N 314.341 2.958 0 50 DFAA COc1cccc(NC(=S)NC(=O)c2cccc(OC)c2)c1 453845 ZMZSJJNCJUCAEE-UHFFFAOYSA-N 316.382 2.831 0 50 DFAA COc1cc(CO)ccc1Oc1nc2ccccc2n2cnnc12 2241583 YBRYWTCQONZCPK-UHFFFAOYSA-N 322.324 2.571 0 50 DFAA COCCNC(=O)CCCOc1ccc(Cl)cc1Cl 2742607 UDNOWZPXVYDSEB-UHFFFAOYSA-N 306.189 2.915 0 50 DFAA COc1cc(OC)cc(C(=O)NCCSCc2ccco2)c1 2843063 YUBKFSPHTAYGBR-UHFFFAOYSA-N 321.398 2.960 0 50 DFAA biogenic,in-vitro Cc1nc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)c2cccnc2n1 2356161062 DULIOJPTJDKTOW-GOSISDBHSA-N 320.400 2.541 0 50 DFAA CC(C)(C)c1ccc(OCC(=O)NCCN2CCCC2)cc1 4454526 LKSAZHYQFHXVBD-UHFFFAOYSA-N 304.434 2.575 0 50 DFAA C[C@H](NC(=S)N1CCOCC1)C12CC3CC(CC(C3)C1)C2 4693944 AIBWWRPABYBVTP-ORVZXPRGSA-N 308.491 2.798 0 50 DFAA CC(=O)Oc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 4840918 ZHFRXZSVBKUJAN-UHFFFAOYSA-N 313.309 2.635 0 50 DFAA O=C(COc1ccc(Br)cc1Cl)NC1CC1 4846924 QHTXAXGIYNSTSI-UHFFFAOYSA-N 304.571 2.760 0 50 DFAA CCc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 6697576 WZPYPTDGHNSHOI-CHWSQXEVSA-N 311.447 2.924 0 50 DFAA Cc1ccccc1CC(=O)Nc1sc(C)c(C)c1C(N)=O 6731104 QWYMMIDMNCPIHO-UHFFFAOYSA-N 302.399 2.953 0 50 DFAA CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10314989 JNTNRKJCYINZJO-UHFFFAOYSA-N 318.398 2.546 0 50 DFAA COc1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1 20500677 LZEYMYLAFRLRBN-FZKQIMNGSA-N 301.386 2.916 0 50 DFAA O[C@H](CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1)c1ccc(F)cc1 134932857 YKYQELFZTIEMET-ATZDWAIDSA-N 318.436 2.808 0 50 DFAA Cc1ccccc1NC(=O)[C@H](C)n1ncc2ccccc2c1=O 65363378 RKVMCBRCXUBIGA-ZDUSSCGKSA-N 307.353 2.905 0 50 DFAA COc1ncc(-c2nccn2-c2ccc(-c3ccn[nH]3)cc2)cn1 67757517 KEJZGFVTAUYUHE-UHFFFAOYSA-N 318.340 2.728 0 50 DFAA CC1(C)C[C@H](C(=O)NCCCn2ncc3ccccc32)CCO1 20149048 VVDJWVCJQVKKED-CQSZACIVSA-N 315.417 2.748 0 50 DFAA C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](c2ncc[nH]2)C1 332104289 FNMPQOSDLFMZOC-QWHCGFSZSA-N 316.380 2.755 0 50 DFAA COc1ccc2c(C)nc(N3CC[C@@H]4CC[C@H](C3)N4C)nc2c1 67588061 RTYFNMUEYZGTTJ-UONOGXRCSA-N 312.417 2.620 0 50 DFAA c1coc([C@H](CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)N2CCCC2)c1 120964951 XCQBZYCBMOUNSM-ONIAQPFYSA-N 316.445 2.964 0 50 DFAA C[C@H](O)[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)C1 252486766 NAMQKXYLEOSDAS-FSDCSDTHSA-N 324.465 2.669 0 50 DFAA CC[C@H]1c2cc(F)c(F)cc2CCN1c1nccn2cnnc12 606444106 YCKBNFJUTRSUFQ-AWEZNQCLSA-N 315.327 2.916 0 50 DFAA C[C@@H]1CCN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1O 253370727 VFZHFIZACVLOAS-NOZJJQNGSA-N 324.222 2.528 0 50 DFAA O=C(c1ccc(-c2noc(C3CC3)n2)cc1)N1CCSCC1 215862770 LNESQMCQQTWFTO-UHFFFAOYSA-N 315.398 2.803 0 50 DFAA CC(C)c1noc([C@@H](C)N2CCC[C@@H](N3CCCC3=O)CC2)n1 333979829 BFGCIGQYAOZWAE-ZIAGYGMSSA-N 320.437 2.731 0 50 DFAA CS(=O)(=O)c1ccc(N[C@@H](CN)C2CCCCC2)c(F)c1 261807932 ZJUGQISPJIJFPG-HNNXBMFYSA-N 314.426 2.549 0 50 DFAA O=C(Nc1ccc(CN2CCOCC2)cc1)NC1CCCCC1 13324847 MOYBONCTAFFMPS-UHFFFAOYSA-N 317.433 2.973 0 50 DFAA O=C(C1CCC(O)CC1)N1CCC[C@@H]1COc1ccc(F)cc1 374560635 YMJYIQPVFXTVBO-OGVSOVDVSA-N 321.392 2.747 0 50 DFAA COCC1(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CCC1 71746864 SQOQPIWURJYMMM-HNNXBMFYSA-N 307.365 2.542 0 50 DFAA CN(Cc1ccc(Cl)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241707092 QMNJEAJVPKFTSF-HUUCEWRRSA-N 318.804 2.681 0 50 DFAA O=C(CNc1cccc2c1OCCO2)Nc1ccc(Cl)cn1 176854380 UBHVWQRVAQCNHL-UHFFFAOYSA-N 319.748 2.557 0 50 DFAA CCc1ccnc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)c1 263438586 PEXAXALLUBWXKR-YUELXQCFSA-N 302.374 2.502 0 50 DFAA Cc1ccccc1[C@H](C(=O)NCCCc1ccccn1)N(C)C 221373607 ZFWVLBVJUZWRCD-GOSISDBHSA-N 311.429 2.742 0 50 DFAA Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)c(C)cc1Br 179414104 HERSXLGVSLHAQY-SECBINFHSA-N 323.194 2.675 0 50 DFAA CCc1cccc(F)c1CN1CCC[C@H](N(C)CC(=O)O)CC1 263533893 YCXCIZPAGNSGDM-HNNXBMFYSA-N 322.424 2.759 0 50 DFAA CC[C@@H](NC(=O)c1cc(Cl)cn1C)c1cn2cccnc2n1 426427873 BWKHYTUMARITHD-LLVKDONJSA-N 317.780 2.602 0 50 DFAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)O)cc2)C1(C)C 236868304 MIIDGSVYRCBXCH-ZIAGYGMSSA-N 305.374 2.660 0 50 DFAA COc1cccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)O)c1 91468978 MTRAGHZTOHIMMW-JKSUJKDBSA-N 317.385 2.512 0 50 DFAA CSCC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 95511531 ZFCIQQGQAGEUQP-KRWDZBQOSA-N 321.442 2.950 0 50 DFAA Fc1ccc([C@@H]2CN(c3cnccn3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95378363 KHKIVVQNSFLJJC-QXAKKESOSA-N 324.403 2.682 0 50 DFAA CC(C)(C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1 243892569 AIZLQRCZVLAQHG-ZVZYQTTQSA-N 324.424 2.988 0 50 DFAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1cc2ccccc2[nH]1 299741525 FOAGXDZIDGBKGN-DOTOQJQBSA-N 307.353 2.823 0 50 DFAA CCS[C@@H]1CC[C@H](N[C@H]2CCCC[C@H]2S(C)(=O)=O)C1 253369718 HFULYPPGIHIJNA-RFQIPJPRSA-N 305.509 2.606 0 50 DFAA CCn1cc(CN(C(=O)c2onc3c2CCCC3)C(C)C)cn1 616545776 DLXZWMOOOZBCPR-UHFFFAOYSA-N 316.405 2.821 0 50 DFAA O=C(CCOc1ccccc1)NCCc1nc2c(s1)CCC2 299800157 WQWHIECHDXRTEP-UHFFFAOYSA-N 316.426 2.760 0 50 DFAA CC(C)c1cc(C(=O)NCCc2c[nH]c3ccccc23)nc(N)n1 827587178 BBJLNKBFYSQBNR-UHFFFAOYSA-N 323.400 2.636 0 50 DFAA Cc1nonc1CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 873281262 YUPQNUVBGHLKJA-CQSZACIVSA-N 300.362 2.671 0 50 DFAA C[C@H]1OCC[C@]1(C)C(=O)NCc1nc(C2CCCCC2)no1 1875320318 PCJVWKOUOJIRNO-BZNIZROVSA-N 307.394 2.549 0 50 DFAA CC[C@@H]1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccsc1 1875318860 XJFVOFOYQPLXLE-NEPJUHHUSA-N 301.433 2.520 0 50 DFAA O=C(N[C@@H]1CCCc2cccc(F)c21)[C@H]1CC(C2CC2)=NO1 1875327814 MDRIEZFXPPSMES-UKRRQHHQSA-N 302.349 2.874 0 50 DFAA C=CC(=O)N(Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H](CC)CO 1875382013 NLOBFEGCMYYOGE-RYUDHWBXSA-N 308.447 2.553 0 50 DFAA CCCC(=O)OCc1cccc(S[C@@H]2CCN(C)C2=O)c1 888093423 LFPKPHVMHQYQKU-CQSZACIVSA-N 307.415 2.853 0 50 DFAA O=C1CC(C2CCOCC2)=NN1c1nc(C(F)(F)F)cs1 899352766 OQGIZJILHXFEBL-UHFFFAOYSA-N 319.308 2.681 0 50 DFAA Clc1ccnc(CN2CCC[C@H]2Cn2cncn2)c1Cl 1775985007 KCXAEDXIAGOCAS-JTQLQIEISA-N 312.204 2.645 0 50 DFAA CC(C)c1ncc2c(n1)CCN(C(=O)c1ccc(F)c(O)c1)C2 1364121269 BUIPTSBETVXTBB-UHFFFAOYSA-N 315.348 2.643 0 50 DFAA CC(C)(C)NC(=O)CNC(=O)N1CCC(c2ccsc2)CC1 186534056 LWQIBLKMKXFBDB-UHFFFAOYSA-N 323.462 2.552 0 50 DFAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1csc(C)n1 275357967 AQQUFHHJKSRLMB-SWLSCSKDSA-N 306.435 2.535 0 50 DFAA O=C1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2F)N1 632797005 LFAKZJNIZPHYFY-MRVPVSSYSA-N 319.163 2.531 0 50 DFAA OC1(CN2CCC(c3nnc4ccccn34)CC2)CCCCC1 169984944 AHGPRUVGURLPPQ-UHFFFAOYSA-N 314.433 2.604 0 50 DFAA C[C@H](NC(=O)OCc1ccccc1)c1ncc(C(=O)O)s1 91301552 XWARFFHSKGUJQR-VIFPVBQESA-N 306.343 2.829 0 50 DFAA in-vitro CO[C@@H](C)[C@H](C)NC(=O)c1cc(Br)cn1C(C)C 170604650 BKPJSXHIEHPENV-UWVGGRQHSA-N 317.227 2.985 0 50 DFAA COc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1O 170619172 QPIZFKFGVBPCJW-SNVBAGLBSA-N 304.371 2.915 0 50 DFAA COc1cc(OC)cc(-c2nc3scc(C)c3c(=O)[nH]2)c1 190412710 GIOUCPFYVOHLME-UHFFFAOYSA-N 302.355 2.977 0 50 DFAA COCc1nc(CN2Cc3ccc(C(=O)O)cc3C2)cs1 659790710 GOEKWSKXBGJHQC-UHFFFAOYSA-N 304.371 2.504 0 50 DFAA Cc1ccc([C@H](NC(=O)c2nccn2C)c2cccnc2)c(C)c1 1506425707 QXJYTOXRLKCYSN-QGZVFWFLSA-N 320.396 2.951 0 50 DFAA COCCOC[C@@H](C)Nc1cc(OC)c(Cl)cc1OC 1616034639 KSBQZAMFDJJOAN-SNVBAGLBSA-N 303.786 2.821 0 50 DFAA Cc1cn2c(n1)CC[C@@H](NCc1ccc(Br)o1)C2 225567760 YPYOARQSXVLPSC-SNVBAGLBSA-N 310.195 2.652 0 50 DFAA c1ccc(C[C@H]2Cc3nnc(-c4cc(C5CC5)[nH]n4)n3C2)cc1 1775981575 AWOCXJNKIGNMIT-ZDUSSCGKSA-N 305.385 2.961 0 50 DFAA c1ccc([C@H]2CCCCN2Cc2nc(-c3cnccn3)no2)nc1 12429391 KULPTDGYSKYGCF-OAHLLOKOSA-N 322.372 2.649 0 50 DFAA COC[C@@H](O)Cn1ccnc1-c1nc(-c2ccccc2)cs1 1857702348 JVJRWWCVDKXKJX-ZDUSSCGKSA-N 315.398 2.681 0 50 DFAA CC(C)N(C)c1ccc(CNc2ccc3c(c2)C(=O)NC3)cn1 225387047 CPROVZIIKMTOBR-UHFFFAOYSA-N 310.401 2.782 0 50 DFAA C[C@H]1CN(C(=O)c2ccn([C@H]3CCCNC3)n2)c2ccccc21 328630645 QBTBQFBESAGJEO-KBPBESRZSA-N 310.401 2.572 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1cc(F)ccc1F 237928498 YIIMZMFPJJNAAG-ZDUSSCGKSA-N 311.328 2.753 0 50 DFAA O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 4183521 IBIVFQFIQRCLLX-VIFPVBQESA-N 311.300 2.789 0 50 DFAA CCc1nc(SCc2sncc2Br)n[nH]1 719866796 AIOZRQPQUNULII-UHFFFAOYSA-N 305.226 2.878 0 50 DFAA CC(C)[C@@H]1CC[C@@H](C)Cc2nnc(CCCN3CCOCC3)n21 2100544717 GRMHFQHWDWQXPG-CVEARBPZSA-N 320.481 2.712 0 50 DFAA C[C@H](CC(=O)N1CC[C@H](CC(=O)O)C1)c1c[nH]c2ccccc12 2325769501 KWEHALJEKFJDAW-CHWSQXEVSA-N 314.385 2.985 0 50 DFAA COc1cc2c(c(OC)c1)N(C(=O)CC1=CCOCC1)CCC2 2325773503 KFTHSNLMFDEMLF-UHFFFAOYSA-N 317.385 2.720 0 50 DFAA CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 123170313 CJOIDUBDFNYFKX-APWZRJJASA-N 314.429 2.861 0 50 DFAA CCN1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1 181982 MVPCKEGPJAEYEO-UHFFFAOYSA-N 307.869 2.946 0 50 DFAA CC[C@H](Sc1nnc(N)s1)C(=O)N[C@@H](C)c1ccccc1 202467 LEHHVUVWJSFNFM-ONGXEEELSA-N 322.459 2.868 0 50 DFAA Cc1ccc(-c2noc(CCC(=O)NCc3cccnc3)n2)cc1 428157 YAXRGPOXMXPJCE-UHFFFAOYSA-N 322.368 2.689 0 50 DFAA COc1ccccc1OC[C@H](O)Cn1c(C)nc2ccccc21 449442 DGAWQMVIFYDDMT-CQSZACIVSA-N 312.369 2.793 0 50 DFAA Cc1nc(NC(=O)[C@@H](C)c2ccccc2)sc1C(=O)N(C)C 475111 YHRYAJGCLLMPIT-JTQLQIEISA-N 317.414 2.896 0 50 DFAA Cc1ccc(C(N)=O)cc1S(=O)(=O)Nc1cccc(C)c1C 1049477 DPTYIONNROAZEK-UHFFFAOYSA-N 318.398 2.512 0 50 DFAA Cc1cccc2nc(NC(=O)[C@@H]3CC(=O)OC34CCCC4)[nH]c12 2356151921 GYFHPTRJLGOBHX-NSHDSACASA-N 313.357 2.686 0 50 DFAA CCCCCCOc1ccc([C@H](CC(=O)NC)C(=O)O)cc1 3152893 RDQXKMLNVLAQBB-HNNXBMFYSA-N 307.390 2.950 0 50 DFAA CCOc1ccccc1NC(=O)COc1ccc(CCO)cc1 4841012 LVHNQXBUHNIIKS-UHFFFAOYSA-N 315.369 2.638 0 50 DFAA Cc1c(C(=O)O)sc2ncnc(NCC3(O)CCCCC3)c12 55325521 BGFVSMIPZJHXPV-UHFFFAOYSA-N 321.402 2.805 0 50 DFAA O=c1[nH]c2cc3nc(-c4ccc5c(c4)OCCCO5)[nH]c3cc2[nH]1 55342132 HKDPPXBSNHJGIF-UHFFFAOYSA-N 322.324 2.561 0 50 DFAA CNc1ccccc1C(=O)N(Cc1ccccc1)C[C@@H](C)CO 55244297 JNXISSGUZKSKHP-OAHLLOKOSA-N 312.413 2.999 0 50 DFAA Cc1nc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)co1 22538341 UCGQEZLMVOICHF-UHFFFAOYSA-N 319.792 2.907 0 50 DFAA COc1ccc(OC)c2c(C)cc(N3CCC[C@@H]3CO)nc12 23634503 DDXPKVDIOGXVOT-GFCCVEGCSA-N 302.374 2.522 0 50 DFAA CCn1nc(C)c(CNC(=O)N2CCn3cccc3[C@@H]2C)c1C 67467734 IHWJNLVXSICUTR-AWEZNQCLSA-N 315.421 2.608 0 50 DFAA COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2F)cc1 20251822 NECMMAGZFWLVKK-LLVKDONJSA-N 316.332 2.591 0 50 DFAA Cc1n[nH]c(-c2cccc(NC(=O)c3n[nH]c4ccccc34)c2)n1 20601583 WANPBZGVUWVLPC-UHFFFAOYSA-N 318.340 2.909 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)c3ccn(C(C)C)c3C)C2)n1 353980221 AJEVICFKWLLSBL-ZDUSSCGKSA-N 302.378 2.699 0 50 DFAA CNC(=O)CCc1ccc(NC(=O)c2ccc(F)cc2)cc1 66197195 NRIADYNGYXLXMY-UHFFFAOYSA-N 300.333 2.757 0 50 DFAA O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2cncs2)C1 122858259 DQPDWJWNBMISAC-CYBMUJFWSA-N 301.415 2.994 0 50 DFAA CC(=O)c1cc(C(=O)Nc2ccc(CC(=O)O)cc2)c(C)o1 302559 RICXDGFRYVTCMB-UHFFFAOYSA-N 301.298 2.670 0 50 DFAA O=C(NCc1nc2c(s1)CCCC2)c1ccc2cc[nH]c2n1 329284268 NTJXKRUURMTEBV-UHFFFAOYSA-N 312.398 2.828 0 50 DFAA Cn1nccc1CNCc1c(F)cccc1OC(F)(F)F 283927855 LLBLUZPGHHMZSI-UHFFFAOYSA-N 303.259 2.748 0 50 DFAA O=C(N[C@@H](c1ccccc1)C1CC1)N1CC(F)(F)C[C@H]1CO 364661397 PEIVLURGBIOQFC-KBPBESRZSA-N 310.344 2.549 0 50 DFAA Cc1cnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)nc1N 71751826 DNHXMYCBHVGAPF-ZDUSSCGKSA-N 304.781 2.599 0 50 DFAA Cc1noc([C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)C2)n1 332107728 ZWVFAPIYSZGMES-SECBINFHSA-N 309.728 2.800 0 50 DFAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccsc1 262397954 LSRAWJNKMIBZTM-HNNXBMFYSA-N 315.394 2.719 0 50 DFAA O=C1CCC[C@H]1[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 334137399 ZLBBAUJULQCBEF-MWDXBVQZSA-N 313.397 2.856 0 50 DFAA CC[C@H](CC1CCCC1)C(=O)N1CCOC[C@@H]1c1ncon1 334125910 PGMZHYQVSXUTIH-ZIAGYGMSSA-N 307.394 2.576 0 50 DFAA CSc1cccc(CN(C)Cc2cc3n(n2)CCCNC3)c1 72164183 HWDLZJAMORUEQD-UHFFFAOYSA-N 316.474 2.730 0 50 DFAA COc1ccccc1-c1cccc(C(=O)NCc2n[nH]c(C)n2)c1 215792731 CZMDEUQPOVLXSR-UHFFFAOYSA-N 322.368 2.719 0 50 DFAA CCc1nccc(CN2CCC(c3nc(C(C)C)no3)CC2)n1 214961614 KCKAPMKPCBKSCJ-UHFFFAOYSA-N 315.421 2.925 0 50 DFAA CCOc1ccc([C@H](O)C2CCN(c3cnccn3)CC2)cc1 292195756 BZFSNKMFPIERTB-SFHVURJKSA-N 313.401 2.825 0 50 DFAA Cc1ccc(S[C@@H](C)C(=O)NCCCn2ccnc2)cc1 47081035 VMAFEHDNZWMJSJ-AWEZNQCLSA-N 303.431 2.879 0 50 DFAA CN1CCN(C(=O)C[C@H](O)CC(C)(C)C)Cc2ccccc21 291461262 IETPXMGLWJSRRY-HNNXBMFYSA-N 304.434 2.652 0 50 DFAA C[C@H](NC(=O)CSc1ccccc1)c1cn2ncsc2n1 223500861 DVLCJHFDBDFCHD-JTQLQIEISA-N 318.427 2.760 0 50 DFAA Cc1ccc(-c2noc([C@H](c3ccccc3F)N(C)C)n2)nn1 82107116 OCKDEXDVVOYSFZ-AWEZNQCLSA-N 313.336 2.625 0 50 DFAA COc1cc(C)cc(OC)c1-c1ccc(OCC(N)=O)cc1 426722393 HALMPMHIIFKMMR-UHFFFAOYSA-N 301.342 2.543 0 50 DFAA C[C@@H](c1nc(Cc2cccs2)nn1C(C)(C)C)n1cncn1 95512484 ZTRXWYWODQJEPK-NSHDSACASA-N 316.434 2.886 0 50 DFAA COC[C@H]1CCN1CCCc1nc(-c2ccc(C)c(F)c2)no1 293617367 QDLMMZHXOATEAD-CQSZACIVSA-N 319.380 2.837 0 50 DFAA CC(C)=CC[C@]1(CO)CCCN(c2ccnc(C(=O)O)c2)C1 92020956 OBOANPIOWBABFS-QGZVFWFLSA-N 304.390 2.715 0 50 DFAA COC[C@H](c1ccccn1)N(C)C(=O)Nc1ccnn1C(C)C 96133715 BCEMFPCLXRGCPT-CQSZACIVSA-N 317.393 2.710 0 50 DFAA Cc1ccc2nc(C)c(C)c(C(=O)NCCCn3cnnc3)c2c1 95510586 HCPZVMXHFLXUPF-UHFFFAOYSA-N 323.400 2.572 0 50 DFAA CCc1nc(C)sc1CN1CC[C@@](O)(CCOC)[C@H](C)C1 91725119 RDBOJXBDCGJPEP-MLGOLLRUSA-N 312.479 2.623 0 50 DFAA C[C@@H]1CC[C@@H](CCC(=O)N[C@H](CC(=O)O)c2cccs2)O1 299747741 DXDLBOPTNTVICT-GRYCIOLGSA-N 311.403 2.728 0 50 DFAA C[C@]12CC[C@@H]3[C@H](C[C@H](O)[C@H]4CC(=O)CC[C@@]43C)[C@H]1C[C@@H](O)C2 257346249 WBIJEFRHTANRST-WVIPUABKSA-N 306.446 2.930 0 50 DFAA CCCN(CC(=O)O)C(=O)c1oc(-c2ccccc2)nc1C 184885906 PVFQRQLJVOWQRK-UHFFFAOYSA-N 302.330 2.587 0 50 DFAA CC[C@@H](NC(=O)c1ccc2c(c1)CCCO2)c1ncnn1CC 534634845 GCQQDFNWHPZEJS-CQSZACIVSA-N 314.389 2.504 0 50 DFAA Cc1cccnc1[C@H](NC(=O)c1cnc(C2CC2)nc1O)C1CC1 534592837 DTUNQEZLVSCRGL-OAHLLOKOSA-N 324.384 2.644 0 50 DFAA O=C([C@H](O)c1cccc(Cl)c1)N1CCCC2(CCOCC2)C1 299762926 DJUDFFZUSHJDEI-OAHLLOKOSA-N 323.820 2.793 0 50 DFAA COc1cccc(SCC(=O)N(C)[C@@H](C)c2nc(C)no2)c1 568187980 UMGNGFUNSAYMDW-JTQLQIEISA-N 321.402 2.698 0 50 DFAA Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCNC1 299793805 IFIOFTVJVXLZBP-ZDUSSCGKSA-N 300.431 2.939 0 50 DFAA CC(C)Cn1cncc1CNC(=O)c1cccc2c1NCCC2 821502130 KHPGCYOFYWALPF-UHFFFAOYSA-N 312.417 2.827 0 50 DFAA Cc1nc(C)c(CC(=O)N[C@@H]2CC(=O)Nc3ccccc32)s1 584890938 XHWKIFXYAFBSNM-CYBMUJFWSA-N 315.398 2.502 0 50 DFAA COc1cc(CNCC[C@@H]2COCCC2(OC)OC)ccc1C 952992883 SLHCCBQAEKKYGY-MRXNPFEDSA-N 323.433 2.509 0 50 DFAA O=C(c1ccncc1)c1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1 1875381733 GAWPUQZFOYBTFO-DYESRHJHSA-N 308.381 2.786 0 50 DFAA O=C(O)CCCCCCCC(=O)N1CCOC[C@H]1CC(F)F 1875313364 LJXQECUNDPXESG-GFCCVEGCSA-N 321.364 2.684 0 50 DFAA Cc1noc(CCCc2nc(-c3ccc([C@H](C)O)s3)no2)n1 1776006649 YRYOWOCOWKEOSM-QMMMGPOBSA-N 320.374 2.718 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccco1)N[C@@H]1CCOCC12CCCC2 1365644530 MDTRNAGEMYTCHD-UMVBOHGHSA-N 304.390 2.784 0 50 DFAA Cc1cscc1NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 275667027 CCLYRBSLTCWOKZ-RISCZKNCSA-N 320.418 2.832 0 50 DFAA CCN(C(C)=O)c1nc(CN2CCn3cccc3[C@H]2C)cs1 170130711 DBOPTTWNSNQNMQ-GFCCVEGCSA-N 318.446 2.894 0 50 DFAA Cc1cn2ccc(C(=O)N[C@@H]3CCc4ccccc4C3)cc2n1 635118214 UPSZFRIABVOUFM-QGZVFWFLSA-N 305.381 2.930 0 50 DFAA NC(=O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 188188101 BMVMYCSSHDYJCO-GFCCVEGCSA-N 315.186 2.504 0 50 DFAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1ccncc1)C1CC1 188722919 NZQQGKPMOLNZQT-UHFFFAOYSA-N 322.412 2.882 0 50 DFAA C[C@@H]1CCCN(c2ccccc2OCc2nc(N(C)C)no2)C1 670854282 LICGYKLWLCFMPA-CYBMUJFWSA-N 316.405 2.951 0 50 DFAA Cc1n[nH]c(C)c1CCCNC1CCN(Cc2ccco2)CC1 1506403300 XIXUPNNCGDYTIW-UHFFFAOYSA-N 316.449 2.806 0 50 DFAA COC[C@H](NC1CCN(Cc2ccco2)CC1)c1ccccn1 1506417119 NUDAPLYEKSALEB-SFHVURJKSA-N 315.417 2.616 0 50 DFAA Cc1ccc2c(CCN[C@@H](C)CN(C)CCO)c(C)[nH]c2c1C 1506403975 QWYHYQRQGKFEEA-AWEZNQCLSA-N 317.477 2.538 0 50 DFAA CCOCCN(C[C@H]1CCOc2ccccc21)C[C@@H](C)C(=O)O 1615002692 HIJMXXRZUMDUAL-HUUCEWRRSA-N 321.417 2.612 0 50 DFAA Cc1occ(C(F)(F)F)c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615555852 YPVGSRPLKFKMHW-TZMCWYRMSA-N 324.302 2.961 0 50 DFAA C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(F)cc1Br 230106276 VUHLRHFABAESIJ-SDBXPKJASA-N 316.170 2.886 0 50 DFAA O=C(NC1CCC1)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772818411 DGJYILOWILRXIL-LBPRGKRZSA-N 313.426 2.979 0 50 DFAA COc1ccc(CN2CCN([C@H](C)C3CCC3)CCC2=O)cc1 14969630 GISGJKWXZCWGTK-OAHLLOKOSA-N 316.445 2.918 0 50 DFAA CCCCc1cn(CC2CCN(Cc3nc(C)c[nH]3)CC2)nn1 19608047 PWPJXMWSLMTGOT-UHFFFAOYSA-N 316.453 2.564 0 50 DFAA CC(C)(C)c1ccc2oc(N3CCO[C@@]4(CCNC4)C3)nc2c1 1857678780 ANRNDZNNNYCUQZ-GOSISDBHSA-N 315.417 2.694 0 50 DFAA O=C(CC1=CCCC1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709947046 ADLYLQHIMIMOEQ-ROUUACIJSA-N 315.413 2.977 0 50 DFAA Cc1ccc2c(CC(=O)N3CC[C@](C)(C(=O)O)C3)coc2c1 237872221 VOGNRPBOLAWMEY-KRWDZBQOSA-N 301.342 2.607 0 50 DFAA Cc1ccc2c(CC(=O)N3CC[C@@](C)(C(=O)O)C3)coc2c1 237872034 VOGNRPBOLAWMEY-QGZVFWFLSA-N 301.342 2.607 0 50 DFAA CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1c(C)nn(C)c1N 339954504 CGWUQMVFCDUONO-ZDUSSCGKSA-N 320.824 2.715 0 50 DFAA COc1ncccc1CN1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 253613960 ONFHFRQQPDJCLZ-SJORKVTESA-N 316.376 2.580 0 50 DFAA Cc1cnc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)cn1 153788673 DGIKWCADSVZJNT-UHFFFAOYSA-N 321.262 2.932 0 50 DFAA CN(Cc1cscn1)C(=O)N[C@H]1CCOC2(CCCC2)C1 157382774 JKVOYXVJEUPBNK-LBPRGKRZSA-N 309.435 2.776 0 50 DFAA CS[C@@H](C)CCC(=O)N[C@H](C)c1noc(C(F)(F)F)n1 910763280 YQKPKYFXKKORNS-NKWVEPMBSA-N 311.329 2.797 0 50 DFAA COC1CCC(CC(=O)N(C)C[C@](C)(O)c2ccccc2)CC1 819714634 SNVTUFDNJYYPOV-KVWWFHCMSA-N 319.445 2.948 0 50 DFAA O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1CCCO1 37574 YOEYHZQQFRDZIX-JTQLQIEISA-N 304.173 2.667 0 50 DFAA CCCCNC(=O)NC(=O)c1c(C)cc(Cl)nc1Cl 3672491 UUOONJRVXRKASO-UHFFFAOYSA-N 304.177 2.936 0 50 DFAA O=C(CSCc1cccs1)Nc1ccc2ncnn2c1 2325824881 UPEWQBSDKPLKRS-UHFFFAOYSA-N 304.400 2.663 0 50 DFAA O=C(Cc1cccs1)N1CCN(c2ccccc2F)CC1 303481 OFGZHANBVVTXGP-UHFFFAOYSA-N 304.390 2.779 0 50 DFAA CC[C@H](NC(=O)c1ccnc2c1nc(C)n2C)c1cccc(C)n1 2356137322 JZGNIMBGIHMVSZ-AWEZNQCLSA-N 323.400 2.861 0 50 DFAA O=C(Nc1ccc(Cl)cc1)Oc1ccccc1C(=O)NCO 4800834 BGAYVTRCEFZRGR-UHFFFAOYSA-N 320.732 2.631 0 50 DFAA CC(C)(C)C(=O)NC(=S)Nc1ccc(Br)cn1 4842456 NGPAVQKRVJXDBP-UHFFFAOYSA-N 316.224 2.703 0 50 DFAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 4844673 YQUBONMWIIJEQA-UHFFFAOYSA-N 312.778 2.935 0 50 DFAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCCN(C)CC1 6698320 SFPQSSSTQGCBGA-QGZVFWFLSA-N 304.434 2.625 0 50 DFAA Cc1cc(C(=O)Nc2cccc(F)c2)ccc1NS(C)(=O)=O 10371947 NSTPRFCOGJNLKJ-UHFFFAOYSA-N 322.361 2.758 0 50 DFAA O=C(COC[C@H]1CCCCO1)N1C[C@@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 102538154 BZJLNIJARLXUJN-DRRXZNNHSA-N 307.434 2.609 0 50 DFAA CC(=O)Oc1c(C)cc(CN[C@@H](C)Cc2cnccn2)cc1C 55255346 PWGVMSLBZGATIU-AWEZNQCLSA-N 313.401 2.740 0 50 DFAA COCCN(Cc1cccs1)C(=O)CCN1CCCCC1 55152874 NYHZOPRSRBWWEC-UHFFFAOYSA-N 310.463 2.599 0 50 DFAA Cc1ccc(C)c(O[C@H](C)C(=O)NCCNc2cccnc2)c1 55413830 BRKTWMIPLJBZBQ-OAHLLOKOSA-N 313.401 2.694 0 50 DFAA CC[C@@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1nc(C)c[nH]1 55309144 CFTGJLWQHXFCDB-OAHLLOKOSA-N 316.405 2.576 0 50 DFAA COCC[C@@H]1NC(=O)N(C2CC(c3cccc(Cl)c3)C2)C1=O 348619279 FHHAEOAUQLJNFU-UBHUBRDASA-N 322.792 2.543 0 50 DFAA Cc1c[nH]c(CN(C)CC2CCN(Cc3ccco3)CC2)n1 20857441 BVLGGHVUANQLIR-UHFFFAOYSA-N 302.422 2.655 0 50 DFAA CC[C@H](C)Oc1ccccc1OCCCN1CCN(C)CC1 20653216 MEYYLFHBEJKAMI-INIZCTEOSA-N 306.450 2.880 0 50 DFAA O=C(N[C@@H]1CCCCC[C@@H]1C(=O)O)c1csc(C2CC2)n1 120178009 DKXPKXLFWPWUCH-WDEREUQCSA-N 308.403 2.784 0 50 DFAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C(N)=O)c2ccccc2)C1(C)C 229726344 JSVSGPLUEKKLHM-QLFBSQMISA-N 300.402 2.568 0 50 DFAA CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)s1 121553375 DHYFCMRYXCYKIF-RTXFEEFZSA-N 324.446 2.846 0 50 DFAA Cc1ccc2cc(C(=O)N3CCOc4ccncc43)ccc2n1 151589621 CDOMVQXRANWTOQ-UHFFFAOYSA-N 305.337 2.977 0 50 DFAA CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 122339424 PJLLEBKRQSIJFT-CHWSQXEVSA-N 306.431 2.670 0 50 DFAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 67833693 LGJBLLLRJXIGLI-IVMMDQJWSA-N 309.369 2.907 0 50 DFAA Cn1cc(Br)c(C(=O)NC2CCCCCC2)n1 483521 XOBZFTCYNASJAT-UHFFFAOYSA-N 300.200 2.635 0 50 DFAA Cc1cc2oc(=O)cc(CN(C)CCc3cn[nH]c3)c2cc1C 67847394 VQGCWEPETAOFEA-UHFFFAOYSA-N 311.385 2.807 0 50 DFAA COc1cc(CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1O 253369663 GMMOZDCFCXQNIZ-BMGDILEWSA-N 317.429 2.881 0 50 DFAA C[C@H](N[C@@H](C)[C@H](C)n1cccn1)c1nc(O)c2ccccc2n1 253532465 JUZUYYQREVQERG-AVGNSLFASA-N 311.389 2.832 0 50 DFAA Cc1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)ccc1OC(C)C 152849130 TVZLBIFRWRVZTA-CYBMUJFWSA-N 304.390 2.589 0 50 DFAA O=C1C[C@H](c2ccc(C(=O)O)cc2)c2cc3c(cc2O1)OCO3 217723361 MJKBYIXYDVOBMG-LLVKDONJSA-N 312.277 2.555 0 50 DFAA biogenic O=C1NCCN1CCN1CCC[C@@H]1[C@H]1CCCc2ccccc21 368007363 FMTCZQXPAXFIAZ-ZWKOTPCHSA-N 313.445 2.596 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1cc2c(cc1C)OCO2 216362917 UYZVBLROFVDJOZ-INIZCTEOSA-N 314.385 2.938 0 50 DFAA NC[C@@H]1CCCN1C(=O)/C=C/c1ccccc1OC(F)(F)F 237961325 YFMLYIYQOQEPFN-GUOLPTJISA-N 314.307 2.548 0 50 DFAA CSc1ncc(CN(C)Cc2ccc3nsnc3c2)cn1 216294456 LUVGSYIMMVQNJN-UHFFFAOYSA-N 317.443 2.835 0 50 DFAA C[C@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@]2(CCOC2)O1 241774075 RMXRNELFSVHTJO-SJCJKPOMSA-N 315.373 2.580 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@H]1CCO[C@H]1C 241930355 UHXCAZHCKZPLCJ-JGGQBBKZSA-N 303.402 2.656 0 50 DFAA Cc1ccc(Nc2cccc(C(=O)N[C@@H]3C[C@H]3C(C)C)c2)nn1 458148265 WNEGJCZSDCEXCK-JKSUJKDBSA-N 310.401 3.303 0 50 DFAA O=C(Nc1ccccc1C(F)(F)F)N1CCn2cncc2C1 289444270 GIKWRZAZLXWQJQ-UHFFFAOYSA-N 310.279 2.950 0 50 DFAA CC1(O)CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 177665169 WFSMJCJZPIPWAW-UHFFFAOYSA-N 318.295 2.964 0 50 DFAA CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ncccc1Cl 179894510 ZOEKWOVDNYJNOZ-LBPRGKRZSA-N 309.797 2.855 0 50 DFAA CC(C)c1nnc([C@H](C)NC(=O)c2cnc3c(c2)CCCC3)o1 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2.568 0 50 DFAA Cc1ccc(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cn1 171250973 NGOHYHLOYRVYIK-UHFFFAOYSA-N 309.369 2.846 0 50 DFAA CN=[S@@](C)(=O)c1cccc(NC(=O)CCc2ccccn2)c1 408522219 FNYRTVQZNZDLGN-QFIPXVFZSA-N 317.414 2.739 0 50 DFAA Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2cscn2)cc1 1506427779 SLDSZTFAQSIVOO-CYBMUJFWSA-N 303.431 2.761 0 50 DFAA CCCCn1ncc(C)c1NC(=O)c1ccc(N(C)C)nc1 1529145801 NDGAZRASRGNMHQ-UHFFFAOYSA-N 301.394 2.705 0 50 DFAA Cc1nnc(CN2CCOc3ccc(Br)cc32)o1 225528486 NHPIBZBIUNYEFQ-UHFFFAOYSA-N 310.151 2.540 0 50 DFAA Oc1ccc2nc(CN3CC[C@H](n4cc(Cl)cn4)C3)oc2c1 1615054850 ZLKUQKDTPQOZHC-NSHDSACASA-N 318.764 2.830 0 50 DFAA Oc1ccccc1CCc1nnc2n1-c1ccccc1COC2 1772809080 LQWSVHYGQMRKRG-UHFFFAOYSA-N 307.353 2.788 0 50 DFAA CCCCc1nnc2sc(-c3ccc4c(c3)OCO4)nn12 11278370 LNVHEIOFLAHDQB-UHFFFAOYSA-N 302.359 2.924 0 50 DFAA Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)c1 12458407 VIRNANUORWYZNF-INIZCTEOSA-N 314.429 2.792 0 50 DFAA CCc1onc(C)c1NC(=O)N(C)Cc1csnc1OC 1649259332 UHMISROBBOOSNR-UHFFFAOYSA-N 310.379 2.674 0 50 DFAA C(=C/c1ccccc1)\CN1CCc2nnc([C@H]3CCCO3)n2CC1 14960320 KFSZXUIJSZKUAW-IOMDMTNGSA-N 324.428 2.701 0 50 DFAA COc1ccc(NS(=O)(=O)Cc2ccccc2C)c(OC)c1 16578739 BPPDXAAZIMBPCI-UHFFFAOYSA-N 321.398 2.954 0 50 DFAA Cc1n[nH]c(O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)n[nH]c1C 19886022 LXJYWAVEMQWCNP-UHFFFAOYSA-N 318.764 2.994 0 50 DFAA Cc1cc(C(F)(F)F)cc(N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)n1 1857690323 GTZTVYSFLPEUCQ-UHTWSYAYSA-N 315.339 2.682 0 50 DFAA C[C@@H](c1ccccc1)c1nccn1CC1(CO)CCOCC1 1857693107 IMBSMKBJOXGRLK-HNNXBMFYSA-N 300.402 2.824 0 50 DFAA O=C1NCC[C@H]1n1ccnc1-c1ccc2cc(Cl)ccc2n1 1857696179 QDPZCCCIQMABGU-CQSZACIVSA-N 312.760 2.813 0 50 DFAA Cc1nc(C)c(CNC(=O)[C@H]2CC[C@H](c3ccccc3)N2)s1 1857736657 VIELYLCYYOHWCI-HUUCEWRRSA-N 315.442 2.869 0 50 DFAA CC(C)[C@H]1CN(CC(=O)N2CCCC2)C[C@@H](c2ccccc2)O1 1875241863 XFBYLQXJRSSZOI-MSOLQXFVSA-N 316.445 2.707 0 50 DFAA CCn1nccc1S(=O)(=O)N1CCC[C@H](C(C)(C)C)CC1 408290983 UHAAIUFKOJCPPA-ZDUSSCGKSA-N 313.467 2.740 0 50 DFAA C[C@@H](C(=O)O)c1cccc(NC(=O)c2ccnc(C3CC3)n2)c1 414445183 GTAYZZISISZWBX-SNVBAGLBSA-N 311.341 2.794 0 50 DFAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 237452661 SASQHJLXXZMWSI-HOCLYGCPSA-N 311.429 2.892 0 50 DFAA CC(C)(C)[C@@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)O 140159386 WSQRKSHLQJBEFR-LBPRGKRZSA-N 302.330 2.571 0 50 DFAA CC[C@@]1(C)COCCN1C(=O)c1ccc(-c2cnco2)cc1 356715369 AGFBWUSDNWIEAD-KRWDZBQOSA-N 300.358 2.983 0 50 DFAA Cc1ccc2c(c1)[C@H](NC(=O)c1cnc3onc(C)c3c1)CO2 156495385 FHPUZRKHOKSYOR-CQSZACIVSA-N 309.325 2.703 0 50 DFAA c1cc(NCc2nnc3n2CCOC3)cc(-c2nccs2)c1 901488826 GSNYPQCZYGGYRL-UHFFFAOYSA-N 313.386 2.544 0 50 DFAA O=C(NCc1ccccn1)c1nc(-c2ccc(Cl)cc2)no1 6715989 LTOVAAOBHSYSHK-UHFFFAOYSA-N 314.732 2.715 0 50 DFAA COc1ccc2c(c1)[C@@H](C(=O)N1CC(c3cc(C)on3)C1)CC2 2325791449 ZWGZFSPFQAUABW-HNNXBMFYSA-N 312.369 2.647 0 50 DFAA COc1cc2c(NC3C[C@H]4COC[C@@H]4C3)nc(C)nc2cc1F 2325800647 ZRXLDKMZMPADNA-QWRGUYRKSA-N 317.364 2.923 0 50 DFAA Cc1[nH]c2ccccc2c1NC(=O)c1cc2n(n1)CCC[C@H]2N 2325801428 HWFXXQBTXYTFTB-GFCCVEGCSA-N 309.373 2.719 0 50 DFAA Cc1nc([C@@H](C)NC(=O)c2c(C)c3cnccn3c2C)[nH]c1C 2325805545 QBROKCYJNRSRPY-GFCCVEGCSA-N 311.389 2.782 0 50 DFAA OC1(c2c(F)cccc2F)CN(c2noc3ccccc23)C1 2325827831 RKTXDRJJSOYXOQ-UHFFFAOYSA-N 302.280 2.814 0 50 DFAA N[C@H](CCNC(=O)N[C@@H]1C[C@@H]1C1CCCC1)Cc1ccccc1 2325866375 IXMADDITAVPEHK-KZNAEPCWSA-N 315.461 2.824 0 50 DFAA CCC(=O)N1CC[C@@H](N[C@H]2CCCc3nc(CC)sc32)C1 126544107 ZYONKOPUOMJUFV-NEPJUHHUSA-N 307.463 2.683 0 50 DFAA O=C(NCCC[C@H]1CCCC[C@@H]1O)c1n[nH]c2ccccc12 134509526 UUDJLCPVSBFCAI-DOMZBBRYSA-N 301.390 2.624 0 50 DFAA NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 30332 WXHAHGUKFLQCHZ-UHFFFAOYSA-N 319.158 2.800 0 50 DFAA CCOC(=O)C1CCN(CCC(=O)Nc2cccc(C)c2)CC1 255151 PRHATROIFVWIAH-UHFFFAOYSA-N 318.417 2.599 0 50 DFAA Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1 2216897 GSCIZNQUYSXBGL-UHFFFAOYSA-N 308.385 2.850 0 50 DFAA Cc1cccn2c3c(c(=O)nc12)[C@@H](c1ccsc1)CC(=O)N3 4721707 ZRGOTSLUAWIFBM-LLVKDONJSA-N 311.366 2.539 0 50 DFAA CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1N 4984719 RXZLHYXMFVFUCA-UHFFFAOYSA-N 323.356 2.501 0 50 DFAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(O)c(OCC)c1 6656542 ROEKIKRMXWNFIL-CQSZACIVSA-N 307.390 2.709 0 50 DFAA CCCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 6698281 OKKBGWRIJHIMLI-UHFFFAOYSA-N 316.854 2.592 0 50 DFAA CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)N1CCOCC1 16579945 KYFWQVXYUYNHFO-CQSZACIVSA-N 311.809 2.973 0 50 DFAA Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc(C(C)C)cc1 38783876 XQXZYAIOLKLHKB-UHFFFAOYSA-N 319.368 2.860 0 50 DFAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc3nccn3c2)c1 55042350 QCFYSBSEIRPXHZ-CQSZACIVSA-N 308.385 2.741 0 50 DFAA CC[C@H](C)N(Cc1ccncc1)C(=O)CCN1CCCCO1 55412995 CURRFRGCKVHRQZ-HNNXBMFYSA-N 305.422 2.626 0 50 DFAA CN(C)C(=O)c1ccc(N(C)C)c(NC(=O)c2ccccc2)c1 65364242 SUCVVAMHUMMLOG-UHFFFAOYSA-N 311.385 2.707 0 50 DFAA COc1ccc(CN2CCc3[nH]cnc3[C@@H]2C(C)C)cc1O 67967103 GFIDPKPDRSLQJG-KRWDZBQOSA-N 301.390 2.879 0 50 DFAA COc1c(C)cc(C)cc1-c1c(C#N)c(N)nc2c1C[C@@H](N)CC2 71745626 KQIWFEDRKXQDRE-LBPRGKRZSA-N 322.412 2.644 0 50 DFAA CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCCN1CC1CC1 71761565 BEDPPWGNUXNCRI-QGZVFWFLSA-N 316.445 2.975 0 50 DFAA c1cncc(CO[C@H]2CCCN(Cc3ccc4nonc4c3)C2)c1 72156675 KLAHDPYKODFNLJ-INIZCTEOSA-N 324.384 2.799 0 50 DFAA O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)C1(O)CCCCC1 86539969 SQCAOXVQMDICBP-HNNXBMFYSA-N 320.408 2.606 0 50 DFAA CC(C)=CC(=O)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 92062376 CONVPCBEPPATJQ-SFHVURJKSA-N 304.434 2.594 0 50 DFAA c1ccc2c(c1)C[C@H](CN1CC(N3CCCCC3)C1)CCO2 95510823 KRWUIGNVINROBL-MRXNPFEDSA-N 300.446 2.798 0 50 DFAA Cc1ccccc1N1CCN(c2cc(N(C)C)ncn2)[C@H](C)C1 95528789 GXRCNEVTISUTLG-OAHLLOKOSA-N 311.433 2.566 0 50 DFAA COCCc1nc(COCc2ccccc2)n(C(C)(C)C)n1 96136269 ZAVKOBGVHWFTLC-UHFFFAOYSA-N 303.406 2.939 0 50 DFAA Cc1cccc(Cn2nc([C@H]3CCOC3)nc2-c2cn[nH]c2)c1 97578672 LWDXWMLYMSOAAX-AWEZNQCLSA-N 309.373 2.529 0 50 DFAA O=C(c1ccc2nc(S)oc2c1)N(C[C@@H]1CCOC1)C1CC1 170647501 GLEGDPQALPJSOD-JTQLQIEISA-N 318.398 2.758 0 50 DFAA C[C@H](C(=O)Nc1nccs1)N(C)Cc1ccc(Cl)nc1 174588098 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RAZVTPZIZXYWLL-UHFFFAOYSA-N 301.411 2.883 0 50 DFAA O=c1/c(=C\c2ccc(F)cc2)sc2nc(-c3ccccc3)nn12 16805559 CWKZKXXGUWOAGT-GXDHUFHOSA-N 323.352 2.505 0 50 DFAA CN1CCC[C@H](n2ccnc2-c2cc3ccccc3n(C)c2=O)C1 1857696172 PZUUSKYVINORJZ-HNNXBMFYSA-N 322.412 2.669 0 50 DFAA COCc1ccsc1C(=O)N[C@](C)(c1noc(C)n1)C1CC1 353350093 RRQACWGJOKRZBA-HNNXBMFYSA-N 321.402 2.641 0 50 DFAA COc1cc2c(c(OC)c1)N(C(=O)[C@@H](F)C(F)(F)F)CCC2 841334104 YAPIJLGSLKRXOL-GFCCVEGCSA-N 321.270 2.883 0 50 DFAA CC(C)Cc1cnc(NC(=O)[C@H]2CCCc3nn[nH]c32)s1 2325757259 SSDOTNORBLSWLG-JTQLQIEISA-N 305.407 2.518 0 50 DFAA CC[C@@H](CC(F)(F)F)CS(=O)(=O)N[C@@H]1CSC1(C)C 2325782577 JELOUNLFLWSINC-DTWKUNHWSA-N 319.414 2.778 0 50 DFAA Cc1nc2c(s1)CCC[C@H]2C(=O)O[C@H]1CCC2(COC2)C1 2325799758 WILRYGJCYLUUJR-NWDGAFQWSA-N 307.415 2.984 0 50 DFAA Cc1nn(-c2ccccc2)cc1CN(C)Cc1ccc(=N)[nH]c1 2325858686 XFXFDERCQWLXNT-UHFFFAOYSA-N 307.401 2.620 0 50 DFAA O=C(O)[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 136509162 JQJZUMCFQOQXTQ-JTQLQIEISA-N 301.795 2.800 0 50 DFAA CCOc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1 57391 BUGLOFJKLPGHFK-SECBINFHSA-N 308.384 2.642 0 50 DFAA C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H](C)O1 74746 OTHGJGNDSZEBJC-RKDXNWHRSA-N 324.229 2.791 0 50 DFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 92550 PRWRWPWVTDZZCH-LLVKDONJSA-N 307.337 2.958 0 50 DFAA CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1cc(C)on1 279981 UDAKYXANTWJGDW-NSHDSACASA-N 306.391 2.899 0 50 DFAA COC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 566893 IGDVZIOEOVDTOH-UHFFFAOYSA-N 304.367 2.756 0 50 DFAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@@]12CCCN(C)C2=O 2356158613 RITWLALHTJDIHL-GOSISDBHSA-N 318.465 2.668 0 50 DFAA Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)O 3394970 QFZUVSPWUVXHMS-UHFFFAOYSA-N 306.368 2.580 0 50 DFAA CCOC(=O)[C@@H]1CCCN(CCOc2cccc(C)c2C)C1 6702312 LVVVCMIPPUUOPO-MRXNPFEDSA-N 305.418 2.957 0 50 DFAA CCc1ccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)cc1 6703592 PAUIYBGOVYSYGP-MRXNPFEDSA-N 314.429 2.860 0 50 DFAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N(C)Cc1ccno1)(C3)C2 102567352 LFAIDDYLGRZNIS-BVPBIZIASA-N 318.417 2.745 0 50 DFAA CC[C@H](CO)N(Cc1ccsc1)Cc1cccnc1NC 55358634 XWUSVCMGLVYGGE-OAHLLOKOSA-N 305.447 2.958 0 50 DFAA CCN(CC)C(=S)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 100113308 BZOBNKWHWADETQ-GFCCVEGCSA-N 322.455 2.678 0 50 DFAA C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC(C)(C)C1 421618650 XAQSUZLIMCQUGR-ZQDZILKHSA-N 308.466 2.857 0 50 DFAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc(-c2nccn2C)no1 350070242 FZLXHHWWLYJHSQ-UKRRQHHQSA-N 323.400 2.706 0 50 DFAA COc1nc(C)cc(C)c1CNC(=O)CCc1scnc1C 65371309 ZIQVDZDUEQWCQC-UHFFFAOYSA-N 319.430 2.721 0 50 DFAA CC(=O)N1CCCC[C@H]1C1=CCCN(CCn2cccc2)C1 65371369 QHLYXJLZTCRYIC-SFHVURJKSA-N 301.434 2.521 0 50 DFAA Cc1nnc(-c2cccc(-n3cnc4c(C)ncnc43)c2)s1 65405558 LWKZMUCSSNAWOI-UHFFFAOYSA-N 308.370 2.951 0 50 DFAA CCCNc1ncc(CN2CC[C@@](C)(O)[C@@H](CC(C)C)C2)cn1 67690757 WVCWJTGXEDQEBQ-FUHWJXTLSA-N 320.481 2.918 0 50 DFAA CSCCC(=O)N1CCC[C@H](N(C)CCc2ccccc2)C1 12456741 GDNIOFUCYNICDJ-KRWDZBQOSA-N 320.502 2.905 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)c3ccnc(O)c3)cc2)c1C 360945154 QGEBOUCPCYLHLE-UHFFFAOYSA-N 308.341 2.842 0 50 DFAA CCN(C)c1cc(N2CCO[C@H](c3ccc(F)cc3)C2)ncn1 71681878 MAQLYBMGHFCMQH-HNNXBMFYSA-N 316.380 2.650 0 50 DFAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ncc(C(C)(C)C)o2)n1 331601851 LPWHVHRARPMIBN-YGRLFVJLSA-N 320.393 2.626 0 50 DFAA COCCCN1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72144981 YHMARUYPCOICEV-GUDVDZBRSA-N 300.446 2.585 0 50 DFAA Cc1cncc(C(=O)N2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)c1 72477518 XHPYGXGNHKPUDW-OAHLLOKOSA-N 324.380 2.793 0 50 DFAA Cc1cnccc1N1CCC[C@@H](Cc2nnc3ccccn23)C1 375659520 WUYBRAZOCSIWGU-HNNXBMFYSA-N 307.401 2.892 0 50 DFAA CSc1ncccc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C 214950683 BVRDPDNHKXDDDL-NSHDSACASA-N 304.419 2.977 0 50 DFAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(CCO)CC1 242048016 VRZQDKICLHOQDI-ZDUSSCGKSA-N 305.418 2.783 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@H](O)c2cccc(F)c2)s1 218948343 PWAIZHZOPWBONH-OAHLLOKOSA-N 322.405 2.893 0 50 DFAA O=C(COCc1ccccc1)NCc1nc2ccc(F)cc2[nH]1 80873565 GPWIYFLKDDTZOW-UHFFFAOYSA-N 313.332 2.535 0 50 DFAA O=C(N[C@H]1COC2(CCCCC2)C1)c1cnc2ccccc2n1 220704936 CDXXVVWSZPRWNG-CYBMUJFWSA-N 311.385 2.851 0 50 DFAA CCOC1CCN(C(=O)[C@H](c2cccc(C)c2)N(C)C)CC1 92046039 WQMCJPAPSQHSMU-KRWDZBQOSA-N 304.434 2.625 0 50 DFAA CCCSCC(=O)N1CCC[C@H](OCc2ccccn2)C1 91746744 NMABKCQOJWNRGK-HNNXBMFYSA-N 308.447 2.732 0 50 DFAA Cc1noc(CC2CCN(Cc3cccc(C(=O)O)c3)CC2)n1 97272402 AULDKLKKBGCDFB-UHFFFAOYSA-N 315.373 2.531 0 50 DFAA CNC(=O)c1ccccc1C[C@@H]1COc2cc(OC)ccc2C1 95500898 IOULQMAIHDAPQW-ZDUSSCGKSA-N 311.381 2.849 0 50 DFAA COc1ccccc1C1CCN(C(=O)[C@@H](C)n2cccn2)CC1 426571666 SKXSOSUZUGZOTG-CQSZACIVSA-N 313.401 2.859 0 50 DFAA CCOCC1CCN(C(=O)[C@@H](c2ccccc2F)N(C)C)CC1 95387470 VEQNYHRNTPSSTJ-QGZVFWFLSA-N 322.424 2.704 0 50 DFAA CN(Cc1n[nH]c2c1CCC2)C(=O)C[C@@H]1CCc2ccccc21 91452777 DMQLTNFIVRVUAD-AWEZNQCLSA-N 309.413 2.977 0 50 DFAA COCc1noc(CN2CCC[C@@](C)(c3ccccc3)C2)n1 91907590 REFRADONTSUAIL-QGZVFWFLSA-N 301.390 2.770 0 50 DFAA CC1(C)CN(Cc2nccn2Cc2ccccc2)CC[C@]1(C)O 91390832 INLHBFWUYZDMIO-IBGZPJMESA-N 313.445 2.914 0 50 DFAA O=C(N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1)c1cc[nH]c1 244626691 FQQKINWCZCSUIZ-IFUGULHKSA-N 306.312 2.535 0 50 DFAA O[C@@H](CN1CCO[C@H](c2ccc(Cl)cc2)C1)C(F)(F)F 185194043 DIDPEIOWZKXWQP-RYUDHWBXSA-N 309.715 2.637 0 50 DFAA O=C(COC[C@H]1CCCO1)NCc1ccc2sccc2c1 299758574 MWKOMUCVSHCVBV-CQSZACIVSA-N 305.399 2.713 0 50 DFAA CCCOC[C@H]1CCN(C(=O)CCc2ccc(N(C)C)cc2)C1 584899165 QYISJVNIZAGFBD-KRWDZBQOSA-N 318.461 2.960 0 50 DFAA CCc1c(C)sc2nc(-c3ccn(C)c(=O)c3)nc(O)c12 585136999 CDUHQXJBXNXCJV-UHFFFAOYSA-N 301.371 2.633 0 50 DFAA CC1=C(C(=O)NCCc2ccc(Cl)cc2Cl)OCCO1 952990514 YKJMTTZPHBOBAX-UHFFFAOYSA-N 316.184 2.930 0 50 DFAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)c1ccc(CC(C)C)cc1 1472068922 HPYXBXIJMLLVOW-INIZCTEOSA-N 316.445 2.920 0 50 DFAA Cc1ccc2sc(NCc3nc([C@H]4CCOC4)n[nH]3)nc2c1 1472832372 GKETXHGNEACUNX-JTQLQIEISA-N 315.402 2.839 0 50 DFAA CC[C@@H](CC(F)(F)F)NC(=O)CCn1c(C)c(C)sc1=O 170595310 ORAGQKDUKPRNQE-JTQLQIEISA-N 324.368 2.764 0 50 DFAA CN(CCSc1ncnc2[nH]cnc12)Cc1ccc(F)cc1 170595452 PMHYZQWSZRTFCF-UHFFFAOYSA-N 317.393 2.716 0 50 DFAA Cc1ccn2cc(C(=O)NC[C@@H](c3ccccc3)N(C)C)nc2c1 170599816 CBJVEWMJUDUTPI-KRWDZBQOSA-N 322.412 2.675 0 50 DFAA C[C@@H](CNC(=O)Nc1nccn1-c1ccccc1)Cn1cccn1 170616923 SXKKWBVQEKZMFI-AWEZNQCLSA-N 324.388 2.527 0 50 DFAA C[C@H]1CCCN(C(=O)c2ccc(F)nc2)[C@@H]1C(=O)OC(C)(C)C 585088760 JBIFWSOMQIGATF-FZMZJTMJSA-N 322.380 2.803 0 50 DFAA CSC[C@H](C)C(=O)Nc1ccc(N=S(C)(C)=O)cc1 585086031 IDDCATMVXDGTPR-JTQLQIEISA-N 300.449 2.983 0 50 DFAA CSc1nc(N[C@H](CO)c2ccccc2)cc(C(F)F)n1 408523623 LVYNSZGAWMYSHV-LLVKDONJSA-N 311.357 3.282 0 50 DFAA CC1(C)C[C@@H](NC(=O)c2c(F)cccc2-n2cccn2)CCO1 408520294 ZUDBXABIOUKQPQ-LBPRGKRZSA-N 317.364 2.699 0 50 DFAA O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CC[C@@]2(CCOC2)C1 221858129 CQMOEPCIQQSSJX-XYJFISCASA-N 300.402 2.612 0 50 DFAA CSc1cccc(C)c1NC(=O)NCCCc1nc[nH]n1 225478888 AETQRXTXULTGTQ-UHFFFAOYSA-N 305.407 2.589 0 50 DFAA CCn1nccc1CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 225574637 FWKWENKZFVCQTQ-WMLDXEAASA-N 321.371 2.532 0 50 DFAA Cc1cc(CN(C)c2ncnc3c2ncn3-c2ccccc2)no1 647855347 DJKVGYMMEOBLPG-UHFFFAOYSA-N 320.356 2.748 0 50 DFAA CC(C)(C)[C@H](C(=O)O)C(=O)Nc1cccc(-c2ncc[nH]2)c1 663114944 SONBVEGLQONJPA-LBPRGKRZSA-N 301.346 2.762 0 50 DFAA Ic1csnc1-c1nc(C2CC2)no1 1616034211 AYPRKZDMEWIDNE-UHFFFAOYSA-N 319.127 2.675 0 50 DFAA CCc1nc(C)sc1CNC(=O)Cc1ccc(O)c(F)c1 1772814177 MVOWBISLGOEKPS-UHFFFAOYSA-N 308.378 2.718 0 50 DFAA CN1C[C@H](CN2CCC(Cc3ccc(F)cc3)CC2)CCC1=O 1775983507 ZAENHEFPJAMUEK-QGZVFWFLSA-N 318.436 2.949 0 50 DFAA CC(C)N(CCNC(=O)c1cc(O)c2ccccc2n1)C(C)C 5397615 HENIKCPEUGDDRH-UHFFFAOYSA-N 315.417 2.789 0 50 DFAA CN(c1ncccc1CNC(=O)c1cn[nH]c1)C1CCCCC1 11769124 JKDKODXDBPVGTM-UHFFFAOYSA-N 313.405 2.504 0 50 DFAA C[C@H]1CN(CCNC(=O)[C@H]2CC=CCC2)Cc2ccccc2O1 11838827 JCKOOLDYQMEZTC-HOTGVXAUSA-N 314.429 2.742 0 50 DFAA Cc1nc(-c2nccn2[C@@H](C)c2cn3ccsc3n2)cn1C 1857728225 SDJLYULPAFHMDE-JTQLQIEISA-N 312.402 2.911 0 50 DFAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc2c(C)cc(C)cc2[nH]1 123133466 HHYVATRSMHHIQQ-INIZCTEOSA-N 313.401 2.525 0 50 DFAA Cc1nnc(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)o1 225453869 ZQALUXBFPRQZRR-QMTHXVAHSA-N 307.781 2.993 0 50 DFAA O=C(CNc1ccccc1Cl)N[C@H]1CCCC[C@H]1C(=O)O 621598317 DPQVBMGRBMVUPL-PWSUYJOCSA-N 310.781 2.512 0 50 DFAA CN(C)Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cn1 339284360 YHDAVISVNDCRMN-LJQANCHMSA-N 323.440 2.773 0 50 DFAA Cc1cc(C(=O)N2CCOC[C@H](C3CCC3)C2)nn1C(C)(C)C 346104156 POKJVGUUDUYAPB-OAHLLOKOSA-N 319.449 2.835 0 50 DFAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(NC2CCOCC2)CC1 904217473 HDLWSUFKGUFATA-HZPDHXFCSA-N 322.493 2.962 0 50 DFAA O=C1CCCCc2cc(C(=O)N3CCC[C@H](C(=O)O)C3)ccc21 908597879 JVDSWRMXPBYHCT-AWEZNQCLSA-N 315.369 2.533 0 50 DFAA Cc1cc(CNCC2(CC(N)=O)CC2)cc(C)c1OC(F)F 817410744 HCQZDEXEOOGQOH-UHFFFAOYSA-N 312.360 2.650 0 50 DFAA CCc1nc(O)c(C(=O)N2CCC[C@@H](OCC3CC3)C2)cc1C 935483258 NDXCLHTUQWRVSG-CQSZACIVSA-N 318.417 2.689 0 50 DFAA CCOc1ccc(C(=O)N2CCC(C)(C)[C@@H](C(=O)O)C2)cc1 2325766186 SXZSAEKNPGFIIB-CQSZACIVSA-N 305.374 2.658 0 50 DFAA Cn1ncc2c1CC[C@H](F)[C@H]2NC1CC2(CCC(CO)CC2)C1 2325777820 IGOAAKKXIUGLLO-AWJAGCSNSA-N 321.440 2.666 0 50 DFAA CN1CCN(Cc2cccc(-c3cnc4ccccn34)c2)CC1 2325857042 MYKADZJGYMRBHJ-UHFFFAOYSA-N 306.413 2.749 0 50 DFAA Fc1ccccc1N1CCN(c2cc(C(F)F)ncn2)CC1 891405180 AKCRDBBVCURXIH-UHFFFAOYSA-N 308.307 2.880 0 50 DFAA CN(C)c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 82582 NHQBWSFVQPEGTC-UONOGXRCSA-N 304.777 2.775 0 50 DFAA O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1 474618 LZXIEQKQWBVIBX-MRXNPFEDSA-N 323.327 2.975 0 50 DFAA COc1ccc(O[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1 514381 ZXPMNGXDLCXGIO-LBPRGKRZSA-N 303.333 2.918 0 50 DFAA CC(=O)c1cc(CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cs1 2356152214 TVCRDVQJVLNRAJ-ZNMIVQPWSA-N 320.458 2.639 0 50 DFAA CCOC(=O)N(CCCC(=O)OC)C[P@](C)(=O)OC(C)C 2904305 FQWMWKQQILEZGS-OAQYLSRUSA-N 323.326 2.689 0 50 DFAA Cc1csc2ncc(C(=O)N[C@H](C)c3ccccc3)c(=O)n12 4121110 NMZMGSFXGCZTEL-LLVKDONJSA-N 313.382 2.555 0 50 DFAA O=Cc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4869313 IAVGQFQHDHWHLU-UHFFFAOYSA-N 313.397 2.963 0 50 DFAA C[C@H]1C[C@H](C)CN(CCOCCOc2ccccc2C=O)C1 4869831 BDEQYUAOPANISD-HOTGVXAUSA-N 305.418 2.872 0 50 DFAA CC[C@@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 248007417 CSAUOPZEKPEJGV-AEFFLSMTSA-N 317.477 2.528 0 50 DFAA CN1C(=O)N([C@@H]2CCCC[C@H]2F)C(=O)[C@H]1Cc1ccccc1 420068983 AOJWQSXOMLRZHG-RBSFLKMASA-N 304.365 2.772 0 50 DFAA Cc1cccc(Cc2noc(C3CN(CC(F)(F)F)C3)n2)c1 420476901 KNLDKANWGOZOJH-UHFFFAOYSA-N 311.307 2.930 0 50 DFAA CCCN1CCC(Cc2noc(-c3snnc3CC)n2)CC1 67725818 HFALRTDNSHOIMX-UHFFFAOYSA-N 321.450 2.815 0 50 DFAA O=C(OCc1ccccc1)N1CCC(O)(C(F)(F)F)CC1 118544174 JTDWBYIBKZOBIP-UHFFFAOYSA-N 303.280 2.712 0 50 DFAA CCc1nc(C)c(CN(C)Cc2nnc(-c3ccccc3)o2)[nH]1 65419280 RZLPZYCZECYHKA-UHFFFAOYSA-N 311.389 2.963 0 50 DFAA CS[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)C[C@@H](C)O 229836069 RXKMMQNFELUPKT-FRRDWIJNSA-N 302.484 2.757 0 50 DFAA Cc1cc(F)cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)c1 322428846 BKLYCUSKSRFMLG-INIZCTEOSA-N 313.328 2.958 0 50 DFAA C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)COC[C@H]1CCCO1 252666204 ATZAWSOBOAZLSV-ATLSCFEFSA-N 317.429 2.975 0 50 DFAA C[C@@H]1CCc2c(F)cccc2[C@H]1N1C(=O)[C@@H]2CCCN2C1=O 253394285 AZJVBGLRTASBED-ONERCXAPSA-N 302.349 2.876 0 50 DFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 1472314 NOQXBJJGCFIOJX-UHFFFAOYSA-N 303.383 2.985 0 50 DFAA COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1C2=O 34553051 MNJMDCMJUZIDTH-UHFFFAOYSA-N 300.310 2.932 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NC(C)(C)c3nn[nH]n3)oc12 359783353 IRXJQIMVRDYDDH-UHFFFAOYSA-N 313.361 2.536 0 50 DFAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cccnn1 72429161 PNTADQSCXQZRGY-UHFFFAOYSA-N 310.382 2.872 0 50 DFAA CSc1cccc(CN(C)c2nc(C)nc3c2CCNC3)c1 71524205 QVCGOCIEQJBDMW-UHFFFAOYSA-N 314.458 2.789 0 50 DFAA Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc[nH]c1C1CC1 376011428 XEJUDIUDOPCLPV-QGZVFWFLSA-N 323.396 2.514 0 50 DFAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1C 242167652 WYJZZJZHDVYUEO-IWCQGFGOSA-N 314.429 2.519 0 50 DFAA CC(C)C[C@@H](O)C1CCN(C(=O)Cc2ccc(O)c(F)c2)CC1 77323000 JMKQOCFWUDPYOA-QGZVFWFLSA-N 323.408 2.719 0 50 DFAA Cn1ccnc1-c1nccn1-c1cccc(CN2CCCC2)c1 71746203 FEBFUIFIGWHITH-UHFFFAOYSA-N 307.401 2.869 0 50 DFAA O=C(NC[C@@H](O)COc1ccc(F)cc1)C1=CCCCCC1 131755982 NNKDVLHDKFWDQL-OAHLLOKOSA-N 307.365 2.572 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 339439554 LXVWXDQLASBTLV-KGLIPLIRSA-N 322.767 2.766 0 50 DFAA Cc1cc(C(=O)NCc2ccc(C)c(C)n2)nc(C(F)(F)F)n1 458003952 IWVQWEXCSGLQJD-UHFFFAOYSA-N 324.306 2.746 0 50 DFAA O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 176124122 OSGMPAMXVHQRDV-OCCSQVGLSA-N 302.374 2.916 0 50 DFAA C[C@@H]1c2ccccc2CN1C(=O)c1ccc(S(C)(=O)=O)cc1 341013807 DGHBYNNTXDGNCS-GFCCVEGCSA-N 315.394 2.807 0 50 DFAA O=C(NCc1ccc2nonc2c1)c1ccc(N2CCCC2)cc1 221155600 YFUJPHODPYGWEU-UHFFFAOYSA-N 322.368 2.753 0 50 DFAA CCN(Cc1ccccn1)C(=O)[C@H]1Cc2cc(F)ccc2O1 177669068 MRXIIHXPYHTLBT-MRXNPFEDSA-N 300.333 2.573 0 50 DFAA CNCC(=O)Nc1nc(-c2ccc3c(c2)CCCO3)c(C)s1 225635399 LPEGTQHXDXDUKJ-UHFFFAOYSA-N 317.414 2.601 0 50 DFAA CN1CCCN(Cc2cccc(OCc3ccccn3)c2)CC1 223837407 VELCNKLGHHZASB-UHFFFAOYSA-N 311.429 2.798 0 50 DFAA O=C(c1cncc(-c2cccc(-c3cc[nH]n3)c2)n1)N1CCCC1 20515726 BXCVTMBYHPUFRB-UHFFFAOYSA-N 319.368 2.770 0 50 DFAA Cc1nn(C(C)(C)C)c(=O)n1CCOc1ccccc1Cl 180615056 LFUCWMXCKOWFND-UHFFFAOYSA-N 309.797 2.841 0 50 DFAA CC(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)n[nH]1 426545236 XLQNILLHFPSUNZ-AWEZNQCLSA-N 311.385 2.878 0 50 DFAA COc1ccc2c(c1)OC[C@@H](C(=O)NCCc1ccc(C)o1)C2 95508488 YZBOLOSONPGWPG-AWEZNQCLSA-N 315.369 2.507 0 50 DFAA c1ccc(-c2nc([C@@H]3CCCN(Cc4ccon4)C3)n[nH]2)cc1 181287235 UKGVPYSMOKMIDW-CQSZACIVSA-N 309.373 2.839 0 50 DFAA CC1(C)CNC(=O)c2nc(CCSCc3ccco3)[nH]c2C1 95498156 UMXGQYVLVFWCGE-UHFFFAOYSA-N 319.430 2.791 0 50 DFAA Cc1cc2c(cc1C)[C@H](C(=O)NCCc1scnc1C)CO2 296190386 UWORHTONYROZAY-CQSZACIVSA-N 316.426 2.903 0 50 DFAA Cc1ccc(OC[C@@H](O)CNC(C)(C)C)c2c1C(=O)CCC2 96028044 QJLMQFYWORQSFF-ZDUSSCGKSA-N 305.418 2.642 0 50 DFAA O=C(O)Cc1cc(F)c(Br)c(Br)c1 263623804 KWAQZJUZHXLQKA-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA COCCOC1CCC(C(=O)N(C)c2nc(C)cs2)CC1 280589776 SWYOLNUYPBNFPF-UHFFFAOYSA-N 312.435 2.636 0 50 DFAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1cccc(OC(F)F)c1 299772363 ZMQMQNAUQIEKCE-SNVBAGLBSA-N 324.331 2.951 0 50 DFAA O=C1CC[C@]2(C(=O)O)N1c1ccccc1-c1nc3ccccc3n12 585152538 YNSDFDQFHDLJKL-SFHVURJKSA-N 319.320 2.581 0 50 DFAA Cc1ccc([C@H](O)CNC(=O)Cc2ccc3nc(C)[nH]c3c2)cc1 670473354 NOFGXSSYTNVFJR-GOSISDBHSA-N 323.396 2.572 0 50 DFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1nc(-c2ccccc2)no1 1875282437 DVKGZWMSGOXOTP-VIFPVBQESA-N 311.345 2.568 0 50 DFAA O=C(O)[C@@H](NCc1ccc2c(n1)CCC2)[C@@H]1C[C@H]2CC[C@H]1C2 1875291963 RGLDGXMFJBAWQE-CQPIRRRNSA-N 300.402 2.549 0 50 DFAA COc1ccc2ccc(NC(=O)N3CCc4c[nH]nc4C3)cc2n1 1875344419 KGAGAIUIRGFRPS-UHFFFAOYSA-N 323.356 2.557 0 50 DFAA COc1cc2ncnc(N3CCc4nc[nH]c4C3)c2cc1Cl 1875305207 MKSLKSFKHMQBBV-UHFFFAOYSA-N 315.764 2.578 0 50 DFAA O=C(c1cnc2[nH]cncc1-2)N1C2CCC(CC2)[C@@H]1C(F)(F)F 1875313440 QLJMPBAEHRQUFU-SHVIVCPWSA-N 324.306 2.855 0 50 DFAA Cc1c(C(=O)N2CCO[C@@H]3COCC[C@@H]32)oc2c(C)cccc12 888774043 VPXYLNZUBIOMFK-LSDHHAIUSA-N 315.369 2.680 0 50 DFAA C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1cc(F)cc(F)c1 895280113 ZSAAFDAYLQITSL-GFCCVEGCSA-N 317.339 2.711 0 50 DFAA CCn1cc(CC(=O)N2CCCCc3nc(C)sc32)cn1 1775998905 LYNRBJKKLBOWLD-UHFFFAOYSA-N 304.419 2.580 0 50 DFAA C[C@H](NS(=O)(=O)C[C@H]1CCCC2(CCC2)O1)c1ccccn1 1364768713 GRZJHQNUFYAQQN-UONOGXRCSA-N 324.446 2.554 0 50 DFAA Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CC(C)(C)C(=O)O 169987556 YDEWEXYEYPPFFU-UHFFFAOYSA-N 318.373 2.783 0 50 DFAA OCC1(CN[C@@H](c2ccccc2)c2ccncc2)CCOCC1 170593045 MNAHRQTWYQIPNT-SFHVURJKSA-N 312.413 2.550 0 50 DFAA C[C@H](NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1)c1cccc(O)c1 279631325 VQLQFXAHVKOPRH-WQGACYEGSA-N 304.390 2.662 0 50 DFAA CC[C@@H]1C[C@H]1NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 281795243 LYCOFJJIIKGMJD-ZYHUDNBSSA-N 314.341 2.641 0 50 DFAA O=C1CCN1c1cccc(Nc2nccc(C(F)(F)F)n2)c1 408515154 SNRVALYBSOSLCO-UHFFFAOYSA-N 308.263 2.976 0 50 DFAA COc1nsc(CNCC(F)(F)F)c1Br 585118544 SWTCYAXGQOAKGM-UHFFFAOYSA-N 305.119 2.566 0 50 DFAA O=C(COCC(F)(F)F)N1CCC(OC2CCCC2)CC1 225524939 WOVNSLLWYVRKKG-UHFFFAOYSA-N 309.328 2.516 0 50 DFAA Cc1nc2ccccc2nc1CN1CCOC[C@@H]1c1cccn1C 189536812 ZSDLUTQCUJDNGR-LJQANCHMSA-N 322.412 2.850 0 50 DFAA Cc1noc2ncnc(NC[C@@H](C)N3CCc4ccccc4C3)c12 195508053 MPKCYLVGUIVKRY-GFCCVEGCSA-N 323.400 2.785 0 50 DFAA Cc1cc(N(C)CC[C@H]2CCCCO2)nc(N2CCCC2)n1 1506406922 HOVGKNDLGIOYTH-OAHLLOKOSA-N 304.438 2.781 0 50 DFAA Cc1cnc(CN(CCCO)Cc2ccccc2Cl)cn1 1506418398 SKCHALHVAGPDGT-UHFFFAOYSA-N 305.809 2.823 0 50 DFAA OCC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1 12302009 DKIBYVXMQYITLW-HNNXBMFYSA-N 319.380 2.536 0 50 DFAA Cc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)s1 16604696 MHVDMRXOOPHOCO-UHFFFAOYSA-N 309.416 2.776 0 50 DFAA CC1(C)C(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccn2)C1(C)C 19114120 NHTUNGUGAJZXIX-HNNXBMFYSA-N 324.428 2.961 0 50 DFAA c1cncc(-n2cccc2CN[C@H]2COc3ccccc3C2)c1 19720375 KPHSURPTCPKMDC-MRXNPFEDSA-N 305.381 2.966 0 50 DFAA COCCN(Cc1ccsc1)C(=O)COc1ccccc1 19885111 OTYYWYRKPVFSFB-UHFFFAOYSA-N 305.399 2.802 0 50 DFAA Cc1cc(C)c(-c2nc(C3CCCC3)nn2CCCO)cn1 1857678495 IDEQFWKGAGFXQS-UHFFFAOYSA-N 300.406 2.997 0 50 DFAA Cc1nc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)sc1C 13691651 GJWVNNAUGOVSEV-UHFFFAOYSA-N 317.345 2.993 0 50 DFAA Cc1c(O)ccc2c(CN(C)C[C@H]3CCCCO3)cc(=O)oc12 126137023 AFDICJSISXQODW-CQSZACIVSA-N 317.385 2.808 0 50 DFAA COCc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 237168308 JPFJMLKEOLESDF-ZDUSSCGKSA-N 305.374 2.550 0 50 DFAA Cc1ccccc1[C@@]1(F)CCN(c2cn[nH]c(=O)c2Cl)C1 242339059 ZEPAFTYFHLJJAT-OAHLLOKOSA-N 307.756 2.807 0 50 DFAA Cn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@]3(C)O)ccnc21 344257895 NWQSWMKXPBQPPH-LESCRADOSA-N 314.433 2.878 0 50 DFAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCCCCC1 252512876 WLJXIHCHCMNUJV-JZKQVHKSSA-N 300.468 2.652 0 50 DFAA O=C(c1c[nH]cc1-c1ccccc1)N1CCC(F)(F)[C@H](CO)C1 360863404 APPWDPILKDYBJF-ZDUSSCGKSA-N 320.339 2.771 0 50 DFAA CC(C)OC[C@H]1CN(C(=O)c2ccc3ccccc3n2)CCO1 372171959 FQVVZHDXMPIBBT-OAHLLOKOSA-N 314.385 2.501 0 50 DFAA C[C@@H]1C[C@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CC(C)(C)C1 378556404 ZYCQPWSKFBPTNZ-OCCSQVGLSA-N 304.438 2.973 0 50 DFAA O=C(Nc1ccncc1)[C@@H](c1ccccc1)N1CCCCC1=O 263982899 QTWBGPDFTBDKHV-QGZVFWFLSA-N 309.369 2.774 0 50 DFAA O=C(O)Cc1cccc(C(=O)N[C@H]2CCOC23CCCCC3)c1 907898634 LVAHATVTWSHMHB-HNNXBMFYSA-N 317.385 2.535 0 50 DFAA C[C@H](NC(=O)c1cc2ccccn2c1)c1cc2n(n1)CCCC2 912032846 IJBRVHMFAIAJAC-ZDUSSCGKSA-N 308.385 2.963 0 50 DFAA COc1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 49023 FTZVRZZFUOVRRH-HNNXBMFYSA-N 314.316 2.578 0 50 DFAA N[C@H]1CCN(c2ccnc(-c3cccc(-c4ccncc4)c3)n2)C1 2325856473 QUOJUOOXAORKJR-KRWDZBQOSA-N 317.396 2.743 0 50 DFAA Cc1ccc(NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)cc1 202660 LPIHGSMSHGSVKF-KBXCAEBGSA-N 317.385 2.824 0 50 DFAA biogenic O[C@@H](COc1ccc2c(c1)CCC2)CN1CCc2ccccc2C1 236243 OGWIDVIMEBQRLV-HXUWFJFHSA-N 323.436 2.973 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CC(=O)n3c(nc4ccccc43)N2)c1 528544 HLOBOOUUHYSWHM-AWEZNQCLSA-N 320.352 2.808 0 50 DFAA CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 858567 IZILJJGONAYQBT-ZIAGYGMSSA-N 317.838 2.966 0 50 DFAA COCCCNCCOCCOc1cc(C)ccc1Cl 2981133 VPYZZEWCNRZLCH-UHFFFAOYSA-N 301.814 2.670 0 50 DFAA COc1ccc(C)cc1NC(=O)C(=O)NCCC1=CCCCC1 2992013 OHQOZMGHAJPRGH-UHFFFAOYSA-N 316.401 2.949 0 50 DFAA CCN(Cc1ccncc1)C(=O)c1cc2ccccc2oc1=O 4868185 ILHRVFXVDSVHSG-UHFFFAOYSA-N 308.337 2.850 0 50 DFAA O=c1c(CN2CCCC[C@@H]2CO)coc2ccc(Cl)cc12 4988851 DXEHFWPVJUYHEG-CYBMUJFWSA-N 307.777 2.793 0 50 DFAA Cc1cccc(NC(=O)C[C@H]2C(=O)N=C3Nc4ccccc4N32)c1 20102380 HEYUXNZOHANZAD-HNNXBMFYSA-N 320.352 2.521 0 50 DFAA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)N[C@@H]1C[C@@H]1c1cccc(F)c1 247261177 GKRNLBDCAXEKTB-MZBWOGCUSA-N 318.392 2.938 0 50 DFAA O=C(c1n[nH]c(=O)c2ccccc12)N1CC[C@H](c2ccccc2)C1 123282797 MKLBNOCVJADHFO-AWEZNQCLSA-N 319.364 2.553 0 50 DFAA Cc1nc(Cc2c(O)n[nH]c2C)n(-c2ccccc2Cl)n1 67850537 CXUYSCNVJIOTEW-UHFFFAOYSA-N 303.753 2.557 0 50 DFAA CCOc1ccc(CN[C@H](CC)CO)cc1Br 10474337 ZDGVZKHUCOEVIM-LLVKDONJSA-N 302.212 2.708 0 50 DFAA CSC(C)(C)C[C@@H](C)NCc1ccc2c(c1)n(C)c(=O)n2C 65375875 JBJDBJOSOCFLSB-GFCCVEGCSA-N 321.490 2.887 0 50 DFAA CC(C)CC(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1 66152541 CEOBDWXNGCTIHV-UHFFFAOYSA-N 303.406 2.609 0 50 DFAA CN(Cc1ccon1)C[C@@H]1C[C@H](F)CN1Cc1cccs1 328626038 DTAPKUMEAASQBO-JSGCOSHPSA-N 309.410 2.781 0 50 DFAA CN(Cc1nc(C2CC2)no1)C(=O)c1cc(-c2ccccc2)on1 67788337 NUTLHIDKLUDAGL-UHFFFAOYSA-N 324.340 2.874 0 50 DFAA COc1ncccc1CN1CC[C@@H](c2sccc2C)[C@H](O)C1 65432333 XEPNXBOXXWBGBL-HUUCEWRRSA-N 318.442 2.811 0 50 DFAA CCc1ccc(N2CCN(CC[C@H]3CCCN3C)CC2)cc1 124734179 YBFLCLMWPSSVSW-GOSISDBHSA-N 301.478 2.855 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)NCC1=CCCN(C)C1 65501598 NNODEDUGEXGSLO-UHFFFAOYSA-N 311.385 2.642 0 50 DFAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)OCO3)C12CCC2 127468940 DALYLOLCEAPWTR-JKSUJKDBSA-N 317.385 2.835 0 50 DFAA 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C[C@@H]1CNC(=O)C[C@@H](N[C@@H](CCc2ccccc2)C(F)F)C1 2325783658 QYOHSIQMAVDJDT-QEJZJMRPSA-N 310.388 2.757 0 50 DFAA O=C1C[C@H](CO)CN1c1ccc(-c2ccc3c(c2)COC3)cc1 2325791973 NSTGSIQVINHDES-ZDUSSCGKSA-N 309.365 2.729 0 50 DFAA CC1(c2ccc(F)cc2)CN(C(=O)CCOC[C@@H]2CCCO2)C1 2325802952 HGPFOQVHJVAJAN-INIZCTEOSA-N 321.392 2.511 0 50 DFAA Cc1cnc(Cl)cc1NC(=O)Nc1[nH]nc2c1c(C)nn2C 2325840604 HYQRYXKJTPLKAJ-UHFFFAOYSA-N 319.756 2.606 0 50 DFAA CN1CCCC[C@@H]1CN=c1[nH]ccn2nc(-c3ccccc3)cc12 2325857913 UMSDZAFMNRTXDA-MRXNPFEDSA-N 321.428 2.714 0 50 DFAA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)NC(=O)N1 116097 IMGTZKPNKOKFKD-HNNXBMFYSA-N 316.357 2.506 0 50 DFAA COC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 305234 XLHNWJFOPHVBRV-SNVBAGLBSA-N 314.366 2.859 0 50 DFAA O=C(Nc1ccc(N2CCOCC2)cc1)NC1CCCCC1 307899 YISSXLQEDZASFE-UHFFFAOYSA-N 303.406 2.977 0 50 DFAA COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31 2559362 KYVJVURXKAZJRK-LBPRGKRZSA-N 313.353 2.525 0 50 DFAA endogenous,in-man COc1ccc(C(=O)NCCOc2ccccc2F)cc1OC 3165831 ULTCCABDMVABQP-UHFFFAOYSA-N 319.332 2.652 0 50 DFAA C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCO1 6728768 MJIDAZCDCDHYCT-BLLLJJGKSA-N 305.399 2.686 0 50 DFAA O=C(COCc1cc(-c2ccco2)on1)Nc1cccc(O)c1 6876661 JGTDXRWTRCZPJS-UHFFFAOYSA-N 314.297 2.796 0 50 DFAA O=C(O)[C@@H](CNCc1ccccc1C1CC1)C1CCOCC1 863743844 UUDDALKQYQUXBR-KRWDZBQOSA-N 303.402 2.781 0 50 DFAA Cc1cc(NC(=O)CN(C)Cc2cccc3cccnc23)no1 54193401 LCJRCWNGTAKLGY-UHFFFAOYSA-N 310.357 2.602 0 50 DFAA COc1ccccc1CC(=O)N1CCN(C2CCCCC2)CC1 20274811 MIKIEXRSPDAMMK-UHFFFAOYSA-N 316.445 2.715 0 50 DFAA COc1cccc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)c1OC 21525093 NEASGYGTFBTOGL-CQSZACIVSA-N 319.386 2.510 0 50 DFAA Cc1cc(Br)cc(C)c1OCCNCCN(C)C 20418807 IQPSGLYVYHZGIH-UHFFFAOYSA-N 315.255 2.596 0 50 DFAA CCOc1cc2c(cc1CN(C)Cc1noc(C)n1)CCC2 67885596 SULZAKNTIDZLKH-UHFFFAOYSA-N 301.390 2.897 0 50 DFAA Cc1noc([C@H](NC2Cc3ccccc3C2)C2CCOCC2)n1 328621192 HNSNTANYFLOCSR-QGZVFWFLSA-N 313.401 2.603 0 50 DFAA OCCNc1nc(NCCc2ccccc2)nc2ccccc12 29078396 OMQLVSPZWQYHQI-UHFFFAOYSA-N 308.385 2.689 0 50 DFAA COc1cccc2c1OCCCN(Cc1ccc(CO)o1)C2 65423080 MGYUXFGYPJQUAS-UHFFFAOYSA-N 303.358 2.565 0 50 DFAA c1cncc(-c2n[nH]c(-c3cccc(Cn4cccn4)c3)n2)c1 65435029 ZMZKBTYYHNQWGN-UHFFFAOYSA-N 302.341 2.779 0 50 DFAA CC(C)Cc1noc([C@@H](C)NC2CSCCSC2)n1 67726318 NWLKZRNFJWFBOZ-SNVBAGLBSA-N 301.481 2.767 0 50 DFAA CC(C)n1c(S)nnc1[C@H]1CCCN(C(=O)[C@H]2CC2(C)C)C1 128613062 ZDMVJOZHEPFQGP-NWDGAFQWSA-N 322.478 2.900 0 50 DFAA COc1ccccc1[C@H](C)NC(=O)N(C)C[C@H]1CCC[C@H]1O 252477696 UFIWXAOHURQLLB-GZBFAFLISA-N 306.406 2.559 0 50 DFAA O=C(CCCc1cn[nH]c1)N1CC[C@@H](c2ccccc2F)C1 77407885 JIAFMXARFIJAKG-CQSZACIVSA-N 301.365 2.888 0 50 DFAA C[C@H]1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]2C)[C@H]2CCCC[C@@H]12 252518082 ZLIGYVAGCSPAHJ-QRJUGERDSA-N 306.450 2.576 0 50 DFAA CCOC(=O)c1cnc(SC/C(Cl)=C/Cl)nc1N 147456358 KADOBKANBVOOGL-UTCJRWHESA-N 308.190 2.647 0 50 DFAA Cc1ccnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1 253420588 MZWZVWLQUQBBAH-MRXNPFEDSA-N 303.793 2.622 0 50 DFAA O=C(CN1CCCCc2cc(Br)ccc21)N1CCC1 356920516 FBGQOHWZWQFHQQ-UHFFFAOYSA-N 323.234 2.824 0 50 DFAA Cc1cc(C(=O)Nc2cnn(C)c2)c(C)n1Cc1ccncc1 358337730 AVKKOBMJRQZKBN-UHFFFAOYSA-N 309.373 2.534 0 50 DFAA Cc1cccc(OC[C@H](O)CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 245289782 FCELHKBLYVYJCE-BZZMCLGOSA-N 319.445 2.528 0 50 DFAA CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](C)O)cc1 246274810 WFRXTAADKQENJH-DZGCQCFKSA-N 311.447 2.563 0 50 DFAA CN(CC(=O)N1CCCCCC1)Cc1nc2c(s1)CCCC2 175544204 OBQNACAVTSSMHL-UHFFFAOYSA-N 321.490 2.856 0 50 DFAA CN1C[C@@]2(CCCN(Cc3c(F)cccc3F)CC2)OC1=O 72167130 FJPFDFJCJZNBTQ-INIZCTEOSA-N 310.344 2.772 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1c1ccccc1 262920603 NYQOXBVMPMQJRQ-HZPDHXFCSA-N 313.353 2.539 0 50 DFAA Cc1cc(C[C@@H](C)NC(=O)N2CCc3c(C)cccc3C2)n[nH]1 177890591 WOJJPAASCIOVFA-CYBMUJFWSA-N 312.417 2.725 0 50 DFAA c1c[nH]c(CN2CCC(n3cc(-c4ccsc4)nn3)CC2)n1 19835773 DBTFWLPOGLLWEN-UHFFFAOYSA-N 314.418 2.567 0 50 DFAA CC[C@](C)(CCNC(=O)N1CCOCC1)c1ccccc1OC 426497055 BEEMJWOVRZMQEP-GOSISDBHSA-N 320.433 2.795 0 50 DFAA Cc1cccc2[nH]c(CNC(=O)CC[C@H]3CCCCN3C)nc12 95369917 MIZDLKUXCILAHY-CQSZACIVSA-N 314.433 2.752 0 50 DFAA FC(F)(F)c1nc(Cl)c2c(Br)n[nH]c2n1 238514374 DKDREYJFPKKGSF-UHFFFAOYSA-N 301.453 2.788 0 50 DFAA Cc1nc(C2CC2)ncc1C(=O)NCCSc1ccccn1 97759375 GOFXPBVVINPJQP-UHFFFAOYSA-N 314.414 2.580 0 50 DFAA C[C@@H](c1ccncn1)N(C)C(=O)c1conc1-c1ccccc1 426604231 FIZGQRJUPCIVGR-LBPRGKRZSA-N 308.341 2.965 0 50 DFAA CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCCOC)c(Cl)c1 236921679 VWEPEMPRJVOSDO-HZMBPMFUSA-N 314.813 2.677 0 50 DFAA O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cccn1C1CC1 181912305 JDWBQBTXIQLADQ-INIZCTEOSA-N 323.396 2.748 0 50 DFAA Cc1cccc(Cl)c1OCCN1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534590002 RTIGCIYLDHRDBF-SDSIWUNFSA-N 306.837 2.709 0 50 DFAA COc1cnc(C(=O)N2CC[C@H](c3ccccc3)C2)c(F)c1 865050242 CBORELGXJWJNFX-ZDUSSCGKSA-N 300.333 2.859 0 50 DFAA Cc1ccc(OC2CN(C(=O)c3ccnc(C(C)C)n3)C2)cc1 299755961 GPPHWQHBDHUTEP-UHFFFAOYSA-N 311.385 2.812 0 50 DFAA COc1cc(-c2cccc(OC)c2OC)cc2c1OCCNC2 299799326 RNCACLPIXWSQBU-UHFFFAOYSA-N 315.369 2.861 0 50 DFAA NC(=O)C1(NC2CCN(c3ccccc3F)CC2)CCCCC1 584888263 HNFDYMFQLGDLOB-UHFFFAOYSA-N 319.424 2.572 0 50 DFAA CC[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ncc(C)[nH]1 822650317 BAXHOEFSCXBKRD-LBPRGKRZSA-N 313.810 2.801 0 50 DFAA CN1CCCC[C@H]1CNC1CCN(c2ccc(F)cc2)CC1 584888323 ARAKIDSLJYOHQT-SFHVURJKSA-N 305.441 2.868 0 50 DFAA COc1ccc2[nH]c(CNC(=O)[C@@H]3CC(C(C)C)=NO3)cc2c1 670474083 COSMZTUVKWPQOT-INIZCTEOSA-N 315.373 2.594 0 50 DFAA Cc1cc(N2CC[C@H](CCN)C2)nc(N(C)c2ccccc2)n1 1875282185 QNKNGIKKGZONPC-HNNXBMFYSA-N 311.433 2.728 0 50 DFAA C[C@H](c1ccc(Cl)cn1)N(C)C(=O)/C=C/CN1CCCC1 1875338177 OYKRYSQSFUQVRR-URWSZGRFSA-N 307.825 2.906 0 50 DFAA O=C(CC1CCCC1)NC[C@@H]1CCCN(c2ccncc2)C1 952971524 DRYDHWAWHIMWBB-INIZCTEOSA-N 301.434 2.995 0 50 DFAA Cn1cnnc1CC1CCN(c2nc3c(F)cccc3o2)CC1 1336727631 WOPYOQMEYOJSKL-UHFFFAOYSA-N 315.352 2.555 0 50 DFAA COC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CCCCO1 1417577591 PALMVGOOBLVAKD-GFCCVEGCSA-N 311.765 2.943 0 50 DFAA CC(C)CN1CC(=O)N([C@H]2CCOc3ccc(F)cc32)C1=O 272452873 PLKIEYZLFHEFKQ-ZDUSSCGKSA-N 306.337 2.570 0 50 DFAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)o1 272967879 USBFLOZTCYEUME-CQSZACIVSA-N 312.369 2.639 0 50 DFAA Cc1noc([C@@H]2[C@@H](C)OCCN2CC[C@@H]2CC2(Cl)Cl)n1 408524806 DEJHQBBYOASWJR-IEBDPFPHSA-N 320.220 2.724 0 50 DFAA CC(C)n1nccc1N1C(=O)[C@H](C)N(Cc2ccccc2)C1=O 170091263 OXQDSAOEENIHGY-ZDUSSCGKSA-N 312.373 2.821 0 50 DFAA CCC[C@H](OC)c1noc([C@H]2CCCN(C(=O)C3CC3)C2)n1 635527996 OBQKAVIRKHYOKA-STQMWFEESA-N 307.394 2.673 0 50 DFAA C[C@@H]1OCCC[C@H]1C(=O)Nc1ccnn1CCc1ccccc1 190857878 ZFXQZXZNYKTJFC-GOEBONIOSA-N 313.401 2.879 0 50 DFAA COc1ncc(C)cc1NC(=O)Nc1cc([C@@H]2C[C@H]2C)n[nH]1 192275349 JMMWKNBQHGWDSY-NXEZZACHSA-N 301.350 2.889 0 50 DFAA CC(C)N1CCN(CCCN2CCC[C@@H]2c2ccco2)CC1 192741842 CLCFFZZOXWEQEU-QGZVFWFLSA-N 305.466 2.833 0 50 DFAA CCn1c(NC(=O)[C@H]2CSCCS2)nc2ccccc21 193278711 RITRXCDUWDRLPM-GFCCVEGCSA-N 307.444 2.843 0 50 DFAA CNC[C@H]1CCCN(C(=O)/C=C(\C)c2ccc(OC)cc2)C1 585086622 BRVJWLMRNGZJMN-ATGUSINASA-N 302.418 2.557 0 50 DFAA CO[C@H]1CN(c2ncccc2Cl)C[C@H]1Cc1cc(C)no1 1704328999 QTJAYSHXMFZLFU-RISCZKNCSA-N 307.781 2.725 0 50 DFAA Cc1noc(C)c1NC(=O)N1CC[C@](C)(O)[C@H](CC(C)C)C1 211603328 MAOCKWJPWMIGSV-CJNGLKHVSA-N 309.410 2.942 0 50 DFAA O=C(O)[C@H]1CN(Cc2nccs2)C[C@@H]1c1ccc(F)cc1 216923187 KJHOEDOVKOBTGS-OLZOCXBDSA-N 306.362 2.582 0 50 DFAA CN1C[C@@H](CN2CCC(Oc3ccc(F)cc3)CC2)CCC1=O 1772808410 PGRHQMZKVZPABP-AWEZNQCLSA-N 320.408 2.537 0 50 DFAA C[C@@H](CN1CCC(=O)N(Cc2ccccn2)CC1)c1ccccc1 12161343 YTLJPOMQJYFUKG-KRWDZBQOSA-N 323.440 2.920 0 50 DFAA O[C@H](c1ccccc1)C1CCN(Cc2nc(C3CC3)no2)CC1 12709450 OUTPHGSOLSOUNO-QGZVFWFLSA-N 313.401 2.893 0 50 DFAA COC(=O)[C@H]1[C@@H](C(=O)OC)C1(c1ccccc1)c1ccccc1 13152222 ZMTMDYJPIDDFHD-IYBDPMFKSA-N 310.349 2.565 0 50 DFAA CCc1cn[nH]c1C1CCN(C(=O)C(=O)c2ccccc2)CC1 14996606 MDZJKCKYPGUNAB-UHFFFAOYSA-N 311.385 2.561 0 50 DFAA COc1cccc(C(=O)N2CCN(Cc3ccccc3C)CC2)c1 19773909 YAMPREAWDPGKIF-UHFFFAOYSA-N 324.424 2.962 0 50 DFAA COC(=O)N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl 19798813 PANOBDDEGFTQQC-SECBINFHSA-N 311.596 2.829 0 50 DFAA Nn1c(SC/C=C/c2ccccc2)nnc1-c1cccnc1 2438687 JAEFXGLOCORMMM-VMPITWQZSA-N 309.398 2.859 0 50 DFAA Cc1c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)[nH]c2c(Cl)cccc12 412326222 ZVLUBOQWHFQBFH-CABZTGNLSA-N 319.792 2.527 0 50 DFAA CCc1ccsc1C(=O)N(C)C[C@@H]1CCc2nccn2C1 328621498 HTJLYPNSRQIZAA-LBPRGKRZSA-N 303.431 2.842 0 50 DFAA O=C(N[C@@H]1CCc2ccccc21)N1CCC(Cn2cccn2)CC1 122482010 JUJVPACRAPKGAG-GOSISDBHSA-N 324.428 2.992 0 50 DFAA Cn1cnnc1CNC(=O)c1cc2c(Cl)cccc2s1 642218974 RIJMLTFLQCEOLL-UHFFFAOYSA-N 306.778 2.613 0 50 DFAA NC[C@H]1CCCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 237956997 IDXPKQUHJAQVQW-GFCCVEGCSA-N 304.287 2.798 0 50 DFAA O=C(Cc1ccoc1)N1CCc2c(Br)ccnc2C1 585122615 HFGOLBIMYFRWNF-UHFFFAOYSA-N 321.174 2.565 0 50 DFAA c1ccc(OCc2nnn(C[C@@H]3CCCC4(CCC4)O3)n2)cc1 901537356 NUUFBDARHZEPHL-HNNXBMFYSA-N 314.389 2.744 0 50 DFAA CNC1CCN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)CC1 237090239 ZORSBJSIRGEAIK-UHFFFAOYSA-N 317.216 2.826 0 50 DFAA Cc1cc(=N)[nH]c(N2CC[C@H](c3cn(C)c4ccccc34)C2)n1 2325764467 OXKXLCWMHUADTG-ZDUSSCGKSA-N 307.401 2.683 0 50 DFAA O=C1NCC[C@H]2CCN(c3ccnc4ccc(Cl)cc34)C[C@@H]12 2325775647 WVQXQAQAVZIMLO-SMDDNHRTSA-N 315.804 2.851 0 50 DFAA O=C1C[C@H](CO)CN1c1ccc(-c2cnc3occc3c2)cc1 2325861625 VSZGLSXGCRIQMN-LBPRGKRZSA-N 308.337 2.840 0 50 DFAA CC[C@@H](Sc1nnc(N)s1)C(=O)N[C@H](C)c1ccccc1 202471 LEHHVUVWJSFNFM-MWLCHTKSSA-N 322.459 2.868 0 50 DFAA c1ccc(-n2ncc3c2ncn2c(-c4ccncc4)nnc32)cc1 206068 FJMHFZLOASDPAP-UHFFFAOYSA-N 313.324 2.525 0 50 DFAA O=C1CSC2=NNC(c3c(Cl)cccc3Cl)=CN12 1050583 CGHSTZSAPDMQBW-UHFFFAOYSA-N 300.170 2.741 0 50 DFAA CCCOc1ccccc1[C@@H]1NC(=O)N(C)C(C)=C1C(=O)OC 2057164 QYQRHZPMQCLGLP-HNNXBMFYSA-N 318.373 2.619 0 50 DFAA COc1ccc(C=O)cc1COc1ccc(C=O)cc1OC 2578426 RKLCHFHMVCHCQO-UHFFFAOYSA-N 300.310 2.908 0 50 DFAA CCCCc1nnc2n1[C@H](C)C(=O)N(CCc1ccccc1)C2 2356155025 URTZQUCPCOBTIS-CQSZACIVSA-N 312.417 2.767 0 50 DFAA COc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1 2874610 LUDQIEMILHSMDY-UHFFFAOYSA-N 323.352 2.604 0 50 DFAA biogenic OCCSc1nnc(-c2ccccc2O)n1-c1ccccc1 2876947 VQMNFPOCIADDFH-UHFFFAOYSA-N 313.382 2.724 0 50 DFAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)ccc1O 2923096 YBOLYPCKFGQPTL-MRXNPFEDSA-N 315.325 2.999 0 50 DFAA CCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21 4809853 TWXMDONVWMZERY-AWEZNQCLSA-N 319.364 2.616 0 50 DFAA CC(=O)Nc1ccc(NC(=O)COc2ccccc2F)cc1 6336606 KCXPXNGWIRLBPA-UHFFFAOYSA-N 302.305 2.802 0 50 DFAA CCOC(=O)CSc1nnc(-c2ccccc2OCC)n1C 6731091 SNGDZPYOLKYTCX-UHFFFAOYSA-N 321.402 2.536 0 50 DFAA c1ccc(-n2nnnc2SCCNCc2ccsc2)cc1 9249996 BEHPAOZANBCMBE-UHFFFAOYSA-N 317.443 2.606 0 50 DFAA Cc1ccc2occ(CN3CCN4CCC[C@H]4[C@H]3C)c(=O)c2c1 22078381 QDQPHCMTLITCIU-PBHICJAKSA-N 312.413 2.770 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 25372878 UTFVDMMPDGPELU-AWEZNQCLSA-N 324.377 2.956 0 50 DFAA OC[C@@H]1C[C@H](F)CN1Cc1cc(-c2ccc(Cl)cc2)no1 346350612 CTMLVCHBBSOTMV-STQMWFEESA-N 310.756 2.900 0 50 DFAA C[C@@H](c1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)no1)C1CC1 240465923 GBKXOSGWICJNAW-SNVBAGLBSA-N 321.402 2.500 0 50 DFAA CCn1cc(CC(=O)NC2(C(=O)O)CCCC2)c2ccccc21 236945370 DJARLPZIQCAOCT-UHFFFAOYSA-N 314.385 2.717 0 50 DFAA O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@H]1c1ncc[nH]1 253422836 BDWCOBIAVFMTRR-HNNXBMFYSA-N 307.357 2.573 0 50 DFAA O=S(=O)(C1CC1)N1CCCC[C@@H]1c1ccc(F)cc1F 253432653 MFEWCBAOBYPLLJ-CQSZACIVSA-N 301.358 2.984 0 50 DFAA COCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 14955697 GVPZDJRDQAFSBL-GOSISDBHSA-N 318.461 2.612 0 50 DFAA Cc1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccnc3)C2)n[nH]1 257366007 FSPIGJUKZVXJPM-PMPSAXMXSA-N 310.401 2.623 0 50 DFAA C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(OCC(=O)O)cc1 263042782 NJWBDGLTGLDUHC-STQMWFEESA-N 303.358 2.684 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 364039549 HFXSUSOUJMLKNP-OAHLLOKOSA-N 315.421 2.540 0 50 DFAA O=C1CC[C@@]2(CCCO2)CCN1Cc1noc(C2CCCC2)n1 72153170 YURZDYHZPSAXEL-KRWDZBQOSA-N 319.405 2.789 0 50 DFAA Cc1nc(CN2CCN(c3ccc4cc[nH]c4n3)CC2)cs1 72447452 DXVQEGOSDAZLKV-UHFFFAOYSA-N 313.430 2.650 0 50 DFAA Cc1nn(CCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)c1Cl 18166776 NSLFQMLNJKQUET-BETUJISGSA-N 323.824 2.719 0 50 DFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1cc(F)ccc1C)C2 426390014 YFPBSXCYYPVFOG-VIKVFOODSA-N 306.381 2.701 0 50 DFAA CCO[C@@H](C)C(=O)N(C)Cc1ccc(OC)c2ncccc12 426430591 DCIKGRNKJSKJFZ-LBPRGKRZSA-N 302.374 2.627 0 50 DFAA C[C@H]1CCCCN1C1CN(C(=O)CCC(=O)c2ccccc2)C1 82114894 PCWQVPQVGCFJNY-HNNXBMFYSA-N 314.429 2.735 0 50 DFAA Cc1cnc(CN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)[nH]1 426526491 UIVYEFSDTULCJO-UHFFFAOYSA-N 302.422 2.828 0 50 DFAA CC(C)Cc1noc([C@@H](C)Nc2nc(N)nc3c2CCCC3)n1 95375214 QNCVMDXELFYALB-SNVBAGLBSA-N 316.409 2.692 0 50 DFAA Cc1n[nH]c(C)c1CCCNc1nccc(-c2ccccn2)n1 97815153 OCRHIXURLBHLJD-UHFFFAOYSA-N 308.389 2.923 0 50 DFAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCc2[nH]ncc2C1 91695347 QKQBTCFVWNAGIL-NSHDSACASA-N 304.419 2.585 0 50 DFAA CC(C)c1nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2[nH]1 96153078 JFJVEDXZIPILPU-GFCCVEGCSA-N 302.378 2.987 0 50 DFAA CC[C@@H](c1nc(-c2cccnn2)no1)N1Cc2ccccc2C1=O 91587439 WBXLSFJTDSOLFK-AWEZNQCLSA-N 321.340 2.634 0 50 DFAA CC(C)n1cc(NC(=O)NCCc2c[nH]c3ccccc23)nn1 96149256 LVIDFUIGEYOKAD-UHFFFAOYSA-N 312.377 2.705 0 50 DFAA CC[C@H](NCc1cc(=O)c2cc(C)ccc2[nH]1)c1ccnn1C 91326180 TYIPPHXXUAZIIQ-HNNXBMFYSA-N 310.401 2.811 0 50 DFAA Cc1noc(C)c1CN1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91745811 VZPVPTUKYYELGI-JKSUJKDBSA-N 318.348 2.731 0 50 DFAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 239164970 NGDKSUMWAZNTCW-RANZSIQMSA-N 317.344 2.646 0 50 DFAA COc1ccc([C@@H](C(=O)O)N(C)Cc2ccon2)cc1Cl 95358022 BPPFUCGBCLLPLY-ZDUSSCGKSA-N 310.737 2.594 0 50 DFAA O=C1CCCCN1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1 244734860 NNBVBRODOAGSHQ-OAHLLOKOSA-N 304.365 2.502 0 50 DFAA O=C(O)[C@@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 299744620 TWMLKMBLNVLEGY-CYBMUJFWSA-N 317.385 2.945 0 50 DFAA C[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)c2ccccc21 185486505 KVTIGFJGGQQXFU-CQSZACIVSA-N 323.396 2.742 0 50 DFAA O=C(Nc1cccc2[nH]nnc12)N[C@H]1COC2(CCCCC2)C1 299792939 GITYZKOCNHZPQR-LLVKDONJSA-N 315.377 2.571 0 50 DFAA Cc1cnc(CN(C)C(=O)NC2(c3cc(F)cc(F)c3)CC2)[nH]1 584902993 RYDVNUNVESFRGA-UHFFFAOYSA-N 320.343 2.827 0 50 DFAA Cc1c(F)cccc1NC(=O)[C@H]1COCCN1CC1CCC1 185781556 WQJPOAFKOHBOBT-MRXNPFEDSA-N 306.381 2.574 0 50 DFAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1Cc1ncc(C2CC2)o1 952890319 XKSDUXFRORPBES-GFCCVEGCSA-N 316.361 2.701 0 50 DFAA Cc1nn(CC(=O)N(C)C2CCCC2)c(C)c1Br 1875252059 UDWQBTURUGKTJU-UHFFFAOYSA-N 314.227 2.663 0 50 DFAA O=C(c1ccc2n[nH]cc2c1)N1CCC2(CC1)CC(C1CC1)=NO2 1875299405 JQQPPHPWVSMAAB-UHFFFAOYSA-N 324.384 2.724 0 50 DFAA COc1ccccc1C1=NO[C@H](C(=O)Nc2ccccc2F)C1 1875361322 XLYXVUIILOWHQO-INIZCTEOSA-N 314.316 2.966 0 50 DFAA O=C(CC1CCNCC1)N1CCc2cc(C(F)(F)F)ccc21 1875318387 IMNNXTPFRYAMIB-UHFFFAOYSA-N 312.335 2.984 0 50 DFAA O=C(CC1CCNCC1)Nc1ccccc1OC[C@H]1CCCO1 952976412 NRAYZNUBXSNJPC-OAHLLOKOSA-N 318.417 2.573 0 50 DFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cnc(C4CC4)nc3)cc2[nH]1 952966309 HZUBEIAJDJUORW-SECBINFHSA-N 323.356 2.536 0 50 DFAA COc1nc(N[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ncc1F 952869572 VHLHJRUPKJBADX-PKIBMFGLSA-N 321.396 2.756 0 50 DFAA c1cncc([C@H]2N(c3cc(-n4ccnc4)ncn3)CC23CCC3)c1 1354266325 KZLRFZXMFIZZPD-QGZVFWFLSA-N 318.384 2.789 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc3ccccc3[nH]2)cn1 275428109 UPEYAHVIRBSMSU-DOTOQJQBSA-N 324.384 2.644 0 50 DFAA Cc1cnc(CN2CCC[C@H]2c2nc3c(n2C)CCCC3)o1 275575488 FMGPZHYJDGRMRL-HNNXBMFYSA-N 300.406 2.932 0 50 DFAA CCOC(=O)[C@H]1CC12CCN(C(=O)OCc1ccccc1)CC2 169244297 HPESIWGAJLAFOB-OAHLLOKOSA-N 317.385 2.988 0 50 DFAA in-vitro O=C(NCCOc1cccc(Cl)c1)c1c[nH]nc1C1CC1 170597799 ULUBUCXMSGJFRV-UHFFFAOYSA-N 305.765 2.749 0 50 DFAA Cc1noc(Cl)c1CCC(=O)N1CCCC[C@H]1C[C@@H](C)O 279135914 BQNATFGVLJYIAJ-PWSUYJOCSA-N 314.813 2.721 0 50 DFAA CS(=O)(=O)CCCN1CCC[C@@H]1c1ccc(Cl)cc1 171376321 QUFOLAATQSMUPH-CQSZACIVSA-N 301.839 2.912 0 50 DFAA CC[C@@H]1CN(C(=O)NCc2cc(C)cc(OC)c2)CCCO1 282507184 GUCNLRLDHOSMHI-OAHLLOKOSA-N 306.406 2.714 0 50 DFAA O=C(CCN1CCCN(c2ccncc2)CC1)Nc1ccccc1 585089985 UGIGMZYYIAIVEF-UHFFFAOYSA-N 324.428 2.623 0 50 DFAA CCc1ccccc1S(=O)(=O)N[C@H](C1CC1)C(F)(F)F 585083832 ZBTNECBAEVRAHB-GFCCVEGCSA-N 307.337 2.868 0 50 DFAA CC(C)Cc1ccc(CNCCN2CCC[C@@H](CO)C2)s1 1506405486 BVBQPUBIAUFDCV-OAHLLOKOSA-N 310.507 2.741 0 50 DFAA C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cccnc1C1CC1 1615618091 DLQQWGWECUGTOG-LLVKDONJSA-N 301.390 2.592 0 50 DFAA Cc1nn(C)c(C)c1CC(=O)Nc1ccc2nscc2c1 1615615104 SNNZQJWMZLKSLK-UHFFFAOYSA-N 300.387 2.828 0 50 DFAA CN(CC[C@H]1COCCO1)Cc1cc(-c2ccccc2)no1 1775980524 YUDHPVGBYWKDCX-HNNXBMFYSA-N 302.374 2.579 0 50 DFAA C/C=C(\C)CN(C)Cc1nnc(SC)n1C[C@H]1CCCO1 14969774 HIOLWZBQFCUEPD-YQJFHSMKSA-N 310.467 2.577 0 50 DFAA CCCN1CC[C@@H](N2CCN(c3ccccc3)CC2)CCC1=O 15071254 FVVAJGBRASGTCJ-SFHVURJKSA-N 315.461 2.600 0 50 DFAA Cc1cnc(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)cn1 1857668570 ANDKQRBMHWJWMR-UHFFFAOYSA-N 319.412 2.776 0 50 DFAA CCCC[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H](C2CC2)O1 1857716947 SUQOGGICUBYSGD-IAGOWNOFSA-N 319.449 2.549 0 50 DFAA CC(=O)N[C@H]1CCN(C(=O)c2c(C)sc3ccccc23)C1 1857740875 QPMFXWZESHYZHR-LBPRGKRZSA-N 302.399 2.560 0 50 DFAA Cn1cc(Cl)cc1C(=O)NCc1ccnc(OCC2CC2)c1 109126445 RBDYSSBRTHKNBJ-UHFFFAOYSA-N 319.792 2.792 0 50 DFAA O=C(Nc1ccnc(O[C@H]2CCOC2)c1)c1ccoc1Cl 225483814 RDYGAANAOUNBAF-JTQLQIEISA-N 308.721 2.748 0 50 DFAA CC[C@@H]1C[C@@H](C(=O)N2Cc3ccccc3OC[C@H]2C)CC(O)=N1 329761672 RSQUNCINWMAQSS-BPLDGKMQSA-N 316.401 2.941 0 50 DFAA O=C(N[C@H](CCO)C1CCCCC1)c1ccc2c(c1)OCCO2 130070797 UBBBLWCKHOVWPH-OAHLLOKOSA-N 319.401 2.519 0 50 DFAA CCc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)O)cc1 239284795 CBDMMLUXXBUSJP-NQLMQOPMSA-N 311.381 2.956 0 50 DFAA CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)O 130723231 RYDIBUVDGHTOPH-MXWKQRLJSA-N 309.328 2.971 0 50 DFAA Cc1cc(NC(=O)C(=O)Nc2c[nH]nc2C2CC2)ccc1Cl 658382889 BDNPQNZGUWNXES-UHFFFAOYSA-N 318.764 2.826 0 50 DFAA Oc1cc(-c2nc(-c3ccncn3)no2)c2ccc(F)cc2n1 904863873 WUMBLNZIBGMCSY-UHFFFAOYSA-N 309.260 2.587 0 50 DFAA CC(=O)Nc1cccc(CN2CCC[C@H](c3ccn(C)n3)C2)c1 932135213 JQFPMJQXTADUEQ-INIZCTEOSA-N 312.417 2.758 0 50 DFAA CN1CCN(Cc2n[nH]c3c2CCCC3)[C@@H](c2ccccc2)C1 2325786977 PXRSEZUHXUNZSX-LJQANCHMSA-N 310.445 2.777 0 50 DFAA N=c1nc(N2CCC=C(c3ccccc3O)C2)cc(C2CC2)[nH]1 2325807973 PJOCPQDQBGOJPT-UHFFFAOYSA-N 308.385 2.766 0 50 DFAA Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C(=O)O)cc1F 2325873713 QUCRZFSYUZHHSI-HOCLYGCPSA-N 313.328 2.862 0 50 DFAA COc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1 76912 MOFQTPAHZWVYNY-UHFFFAOYSA-N 307.375 2.931 0 50 DFAA CSc1nsc(SCC(=O)NC2CCCCC2)n1 528693 UPKTYEHMGVYBGC-UHFFFAOYSA-N 303.478 2.801 0 50 DFAA CCOCCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1 1745347 OXVQZPBLAKYKME-UHFFFAOYSA-N 314.341 2.527 0 50 DFAA CCOC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 1940068 VDCQYAUPJUGGNM-SNVBAGLBSA-N 302.326 2.612 0 50 DFAA biogenic Cn1ccc2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)nc21 2356137227 SZTPDQXZVJVTIQ-MRXNPFEDSA-N 306.369 2.946 0 50 DFAA NC1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)O)CC1 2356141553 HAVWOKZANICYTB-UHFFFAOYSA-N 321.764 2.621 0 50 DFAA Cc1cc(NC(=O)[C@@H](c2cccc(F)c2)N(C)C)c(O)nc1C 2356149919 FCFPQNCWZWPCCJ-OAHLLOKOSA-N 317.364 2.785 0 50 DFAA O=C(CSc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 2620094 CZAVXRZIMPJNNV-UHFFFAOYSA-N 317.345 2.726 0 50 DFAA Cc1sc2ncn(CC(=O)OC3CCCCC3)c(=O)c2c1C 4042596 JDPLWKLTUKSPQW-UHFFFAOYSA-N 320.414 2.951 0 50 DFAA C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCO1 6725713 WRNCKOCBBURPHN-WDSKDSINSA-N 309.234 2.679 0 50 DFAA C[C@@H](C(=O)Nc1ccccc1F)n1ncc2ccccc2c1=O 8240844 JMUYNXBWQWLRFB-NSHDSACASA-N 311.316 2.735 0 50 DFAA CCCn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21 100329634 QRCDHEVKBJTENF-UHFFFAOYSA-N 323.352 2.764 0 50 DFAA CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101114545 FYRPDSVRKDODDO-CZPYZCIJSA-N 309.365 2.787 0 50 DFAA CC1(C)C[C@@H](C(=O)NCCCn2ncc3ccccc32)CCO1 20149047 VVDJWVCJQVKKED-AWEZNQCLSA-N 315.417 2.748 0 50 DFAA COc1cc(OC)cc(-c2ccc(CN3CCNCC3)cc2)c1 67894137 JIYSELFVZCFANZ-UHFFFAOYSA-N 312.413 2.776 0 50 DFAA COc1ccc(-c2ccccc2CN2CCOCC2)cc1CO 20451842 IJXXPPASEYOZLN-UHFFFAOYSA-N 313.397 2.687 0 50 DFAA Cn1nncc1/C=C/c1nc(C(=O)O)c(-c2ccccc2)s1 351445751 ROSOCCBKKCGRQH-BQYQJAHWSA-N 312.354 2.807 0 50 DFAA CCc1c(C)nn(CC(=O)N[C@H](C)c2ccc(O)c(F)c2)c1C 71524477 ZPRFFRCCALIKHW-SNVBAGLBSA-N 319.380 2.784 0 50 DFAA Cc1ccccc1[C@H]1CN(C(=O)CC2CCNCC2)[C@@H](C)CO1 237700963 JFMQPDNJMRFPFF-MAUKXSAKSA-N 316.445 2.673 0 50 DFAA CCCc1cc(NC[C@@H](O)c2cccs2)n2nccc2n1 72474209 XONCCQNXFCLIJI-GFCCVEGCSA-N 302.403 2.889 0 50 DFAA CN1CCC(N(CCc2ccccc2)C(=O)c2cccnc2)CC1 72410622 FJULCGFQQOWGDC-UHFFFAOYSA-N 323.440 2.861 0 50 DFAA CN(C)Cc1cc(CNC2CCC3(CC2)OCCO3)ccc1F 155853032 OVRATRRQCGJQIK-UHFFFAOYSA-N 322.424 2.663 0 50 DFAA CS[C@H](C)CCN1CCN(C2Cc3ccccc3C2)CC1 216243863 LUGTXZFJUMZXAN-OAHLLOKOSA-N 304.503 2.913 0 50 DFAA CC[C@@]1(CO)CCCN(c2nccc(CCC(F)(F)F)n2)C1 71749894 CNAOTQDZPCQXJP-CQSZACIVSA-N 317.355 2.960 0 50 DFAA 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CCCc1ncncc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 299800791 VUUGSZOAQYROGU-OAHLLOKOSA-N 311.385 2.723 0 50 DFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2CC2(C)C)n1 825264553 UCFVLLMCHAEKRI-SECBINFHSA-N 301.312 2.509 0 50 DFAA O=C1CN(C[C@H]2CC2(c2ccccc2)c2ccccc2)CCCN1 670435515 ZKZJZXRQGBPAKI-LJQANCHMSA-N 320.436 2.815 0 50 DFAA Cc1cc(-c2ccc(C(=O)N3CCC(F)CC3)cc2)c(O)nn1 584894026 XVOCSVXGYDFXAT-UHFFFAOYSA-N 315.348 2.732 0 50 DFAA O[C@@H]1CCCN(Cc2cnn(-c3cccc(Cl)c3)c2)CC1 670456443 HYPXUMSOAULAHV-MRXNPFEDSA-N 305.809 2.873 0 50 DFAA Cc1nc2[nH][nH]cc-2c(=Nc2cnn(CC(C)C)c2C(F)F)n1 1875287042 SOMZIZSJVNJZHF-UHFFFAOYSA-N 321.335 2.569 0 50 DFAA O=C1CCCCN1c1cccc(OC[C@@H]2C[N@]2CC2CC2)c1 1875384346 FRWKUNRGKXAUHM-LPHOPBHVSA-N 300.402 2.677 0 50 DFAA CNC(=O)CCC(C)(C)NC(=O)[C@H](C)Sc1ccc(C)cc1 952977612 NRRHEAWKDVZDJU-ZDUSSCGKSA-N 322.474 2.897 0 50 DFAA CCn1nccc1S(=O)(=O)N1CCC[C@H]1c1ccc(F)cc1 274434297 FKENVZGDULYXMZ-AWEZNQCLSA-N 323.393 2.568 0 50 DFAA C[C@@H](c1ccccn1)N(C)C(=O)[C@@H](O)Cc1ccccc1Cl 170083714 NXWBRPCFGYFSJP-LRDDRELGSA-N 318.804 2.858 0 50 DFAA COc1ccc([C@H]2CCCN2C(=O)CC[C@@H](C)O)cc1OC 170091342 NTNCYLQJLJQESH-TZMCWYRMSA-N 307.390 2.528 0 50 DFAA CCOc1cc(NC(=O)NCc2ncc(CC)o2)ccc1OC 225389628 WKGTYFAVQUHAIO-UHFFFAOYSA-N 319.361 2.966 0 50 DFAA O[C@@H](Cc1cn(CCOc2ccc3ccccc3c2)nn1)C1CC1 640951373 MOQNDUXMDUGKRU-IBGZPJMESA-N 323.396 2.824 0 50 DFAA CN1CCC(CN(C)C(=O)[C@H]2CCCc3c(O)cccc32)CC1 190298887 ZQPDBHRRGDRMDX-KRWDZBQOSA-N 316.445 2.612 0 50 DFAA Cc1coc(C)c1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643887598 UHAKWHXGQUDZPL-CQSZACIVSA-N 314.389 2.730 0 50 DFAA CC(=O)N1CCN(Cc2ccccc2N[C@@H](C)C2CCC2)CC1 192838482 IPBJUCBEMORWMS-HNNXBMFYSA-N 315.461 2.951 0 50 DFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCN2CCC[C@@H]2C1 195309533 ABHPDWYRQCWYMD-OAHLLOKOSA-N 311.385 2.570 0 50 DFAA CCOc1ccc(CN2CCCN(C3CCCC3)CC2)cn1 1506408148 BYIUPVZAKOSHKK-UHFFFAOYSA-N 303.450 2.931 0 50 DFAA Cc1cc(CN2C[C@@H](O)[C@H](Cc3ccc4ccccc4n3)C2)on1 1529185119 KDFIAFGMHFNOLW-DNVCBOLYSA-N 323.396 2.567 0 50 DFAA COC(=O)c1ccc(Oc2ncc(Br)cn2)cc1 16678734 CVRYSDLIBPCSQF-UHFFFAOYSA-N 309.119 2.818 0 50 DFAA in-vitro COc1cc(Cc2ccc(F)c(C)c2)ccc1OCC(N)=O 1772710865 UBGNTVXDQZOOLO-UHFFFAOYSA-N 303.333 2.598 0 50 DFAA CC(C)c1noc([C@@H]2CCCN(c3ncnc4cc[nH]c34)C2)n1 1772806749 KGRNMQWRJCOPGL-LLVKDONJSA-N 312.377 2.848 0 50 DFAA CCc1cc(=O)[nH]c(SCC(=O)Nc2c(C)cccc2C)n1 11903356 FPYKODRSCLQCCJ-UHFFFAOYSA-N 317.414 2.680 0 50 DFAA O=C(Cn1ccnc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12221894 TWKWBLZASDQNIW-HNNXBMFYSA-N 309.373 2.513 0 50 DFAA CCc1noc(Cn2nc(CC)c(Br)c2CC)n1 1857530513 IKUMOOWHOVSTKZ-UHFFFAOYSA-N 313.199 2.764 0 50 DFAA Cn1cncc1CN(CCO)Cc1ccc(Cl)c(Cl)c1 158146749 PQVWFDBGQGLRAE-UHFFFAOYSA-N 314.216 2.721 0 50 DFAA COc1ccc(C)nc1N1CCN(c2ccc(Cl)cn2)CC1 1857675431 XSRTWLVVCLEJQZ-UHFFFAOYSA-N 318.808 2.774 0 50 DFAA COc1ccc(-n2ccnc2-c2cnn3cccnc23)c(F)c1 1857691259 CKXFSFXNCLFRLT-UHFFFAOYSA-N 309.304 2.730 0 50 DFAA COc1cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)cc(Cl)c1OC 1857698676 CSBBTBDUKWKZTN-ITGUQSILSA-N 311.809 2.560 0 50 DFAA CCOc1c(F)cccc1C(=O)N1CCC[C@H](CCC(=O)O)C1 237021200 QRVCLUSGZVOLDU-GFCCVEGCSA-N 323.364 2.941 0 50 DFAA C[C@H]1CCN(C(=O)c2csc(CN)n2)[C@H]1c1cccc(F)c1 237553603 DDVQZPOQKQIVNG-ZUZCIYMTSA-N 319.405 2.964 0 50 DFAA CCc1nc([C@H]2CCCN2Cc2ccccc2NC(C)=O)no1 378354167 ZDLLKBSEXTUVBH-OAHLLOKOSA-N 314.389 2.928 0 50 DFAA O=C(NCCc1csc2ccccc12)N1CCC[C@H]1CO 265505795 YEYLKLWYYSBQKF-ZDUSSCGKSA-N 304.415 2.610 0 50 DFAA O=C(c1ccn2ccnc2c1)N(C[C@H]1CCCO1)C1CCCC1 163830224 DJIAXGPXTNLEMP-MRXNPFEDSA-N 313.401 2.898 0 50 DFAA CC[C@@H]1C[C@@H](CN2CCC(N(C)c3cccnn3)CC2)CCO1 390833362 GQAKMXCRVJRIEF-DOTOQJQBSA-N 318.465 2.582 0 50 DFAA CC[C@H](NCCc1cccnc1)[C@H](C)NC(=O)OC(C)(C)C 1875274011 WOESVJWTYYLMOF-ZFWWWQNUSA-N 307.438 2.906 0 50 DFAA O[C@H](CN1CC[C@H](OCc2ccncc2)C1)c1cccc(F)c1 805754046 VBJAALFOBGJWPR-ZWKOTPCHSA-N 316.376 2.545 0 50 DFAA CN(CC1(C)COC1)C(=O)C(F)(F)c1c(F)cccc1F 862762600 LVIRRERZCIACPR-UHFFFAOYSA-N 305.271 2.552 0 50 DFAA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 9111498 UVSPKKJKXDTKMJ-UHFFFAOYSA-N 322.367 2.545 0 50 DFAA Cc1noc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C(C)C)NC1=O 2325766534 BJDMLTOYFNKQHO-NEPJUHHUSA-N 307.394 2.596 0 50 DFAA COc1ccc2c(c1)OC[C@H](NCc1ccc3nc(C)[nH]c3c1)C2 2325777770 CBFNKDLEPHECFX-OAHLLOKOSA-N 323.396 2.973 0 50 DFAA CC(C)c1ccccc1C(=O)Nc1cc(N2CCNCC2)ccn1 877198975 BPSDHYIFXXHVTE-UHFFFAOYSA-N 324.428 2.867 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 128562477 BKSPLSCBRCXZRE-OAHLLOKOSA-N 301.386 2.723 0 50 DFAA COC(=O)c1cc(Cl)c(NC(=O)c2ccco2)cc1OC 48288 GUQQDBIXVPXGFE-UHFFFAOYSA-N 309.705 2.981 0 50 DFAA Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 616984 USBPDOSMXKHOEH-KRWDZBQOSA-N 318.442 2.576 0 50 DFAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc2cccc(F)c2n1 2356152802 BANKVKDWLQNQBP-HAQNSBGRSA-N 316.332 2.747 0 50 DFAA CCCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1 2812524 GELZYCBAQCNFAN-QBFSEMIESA-N 302.330 2.560 0 50 DFAA Cc1ccc(NC(=O)CNC(=O)Cc2ccc(Cl)cc2)cc1 2881151 OXPCXVQKAXJYQS-UHFFFAOYSA-N 316.788 2.946 0 50 DFAA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)O)c1 3180296 XNIBPBAYVBMMHE-NSHDSACASA-N 317.366 2.525 0 50 DFAA COc1ccc(CNC(=O)Cc2ccccc2F)cc1OC 6285270 ZYROVIRNRAFTSW-UHFFFAOYSA-N 303.333 2.702 0 50 DFAA Cc1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1C 6728769 ARCTVSLKOAAPCT-HNNXBMFYSA-N 300.402 2.669 0 50 DFAA COc1cccc(-c2nnc3sc(-c4ccncc4)nn23)c1 10311732 RBHUSBSHWJOQHB-UHFFFAOYSA-N 309.354 2.923 0 50 DFAA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCCc1ccccc1 10475471 NJYNFHUFVYGEOI-SFHVURJKSA-N 308.381 2.996 0 50 DFAA biogenic COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(N)cc1 8737757 CFSSPDUGIRSWFA-UHFFFAOYSA-N 314.341 2.521 0 50 DFAA CC[C@H](Cc1ccccc1)NC(=O)N1[C@H]2CC[C@H]1CC(O)C2 247507162 OTZZRMXXPVHDBJ-PMPSAXMXSA-N 302.418 2.705 0 50 DFAA C[C@@H]1CCCN([C@H](C)CNC(=O)[C@@H](C)OCc2ccccc2)C1 229712877 COABWNMOULKWTE-BRWVUGGUSA-N 318.461 2.828 0 50 DFAA Cc1n[nH]c(C)c1CNc1cc(F)cc(N2CCOCC2)c1 127116165 LARKQSMMWHCTOO-UHFFFAOYSA-N 304.369 2.614 0 50 DFAA CCCCNC(=O)c1cc(NC[C@@H]2CCCCN2C)ccn1 72153739 DQZSUFGYTXIQOQ-HNNXBMFYSA-N 304.438 2.508 0 50 DFAA Cc1ccc(CN2CCCn3cncc3C2)n1-c1cccnc1 72129134 YSBFMBKFLDPFSB-UHFFFAOYSA-N 307.401 2.783 0 50 DFAA Cc1cnccc1CN(C)Cc1cnc(-c2ccccn2)nc1 215613084 ZDYXODHEYNOAJQ-UHFFFAOYSA-N 305.385 2.874 0 50 DFAA Cc1cc(NC(=O)CN2CCCCC2=O)cc(C(F)(F)F)c1 252484409 FVOUBRSGSHMIBB-UHFFFAOYSA-N 314.307 2.965 0 50 DFAA Cc1ccc2oc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)cc2n1 354319949 UWBXUUDWFSOAIK-UHFFFAOYSA-N 320.312 2.569 0 50 DFAA CN1CC[C@H](NCc2cccn2C)[C@H]1c1ccc(F)c(F)c1 132705420 PMEWCWDCUBIGCB-DLBZAZTESA-N 305.372 2.838 0 50 DFAA c1cncc(-c2n[nH]cc2CNC[C@H]2COc3ccccc32)c1 367408440 UFVCLNSUCVSYFE-HNNXBMFYSA-N 306.369 2.738 0 50 DFAA Cc1nnc([C@H]2CC23CCN(CCCn2ccnc2C)CC3)o1 363459645 PLVZATMNCMILQD-OAHLLOKOSA-N 315.421 2.543 0 50 DFAA CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)no1 215818731 WLKHQAXIVZPUJV-GFCCVEGCSA-N 302.378 2.616 0 50 DFAA COc1ccc2c(c1)OCCN([C@@H](C)c1nc(C3CC3)no1)C2 374776047 KYDXTBVNOYHXKF-NSHDSACASA-N 315.373 2.911 0 50 DFAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cc(F)ccc1F 262484332 YKQRQFMVVFQYTB-KMUNFCNLSA-N 323.339 2.752 0 50 DFAA Cc1cc2cc(CNC(=O)[C@H]3CCc4cn[nH]c4C3)ccc2[nH]1 286391304 DIOODVKRRPYNPE-ZDUSSCGKSA-N 308.385 2.621 0 50 DFAA C[C@@H](OCC(=O)N1Cc2cccc(Cl)c2C1)c1nccn1C 376305012 XVKNROUPZUHBRQ-LLVKDONJSA-N 319.792 2.694 0 50 DFAA CO[C@H](C)c1nc(C)c(C(=O)N2CCc3cnccc32)s1 176771607 KUMVMUNSVDCVQY-SNVBAGLBSA-N 303.387 2.757 0 50 DFAA O=C(NC[C@H]1CSCCS1)N[C@@H]1CCOc2ccccc21 176346676 LIJQPUSCMDNLMM-WCQYABFASA-N 324.471 2.658 0 50 DFAA O=C(O)c1ccnc(C(=O)N2CCC[C@@H]2c2cccs2)c1 263448545 ZMGGTACZXULOHW-GFCCVEGCSA-N 302.355 2.819 0 50 DFAA CN(CCC1CCOCC1)C(=O)CCC(=O)c1ccccc1 134519856 RCXGUMBWMCSNCB-UHFFFAOYSA-N 303.402 2.925 0 50 DFAA Cc1nc(-n2ccc3c(C(=O)O)cccc32)sc1C(=O)O 40451262 XLXVSSRATFVSCF-UHFFFAOYSA-N 302.311 2.792 0 50 DFAA CC[C@@H](NC(=O)CCN1CCCCCC1=O)c1ncccc1C 222435140 AEIDRHWMOHMIIF-OAHLLOKOSA-N 317.433 2.750 0 50 DFAA CN(C)c1cccc(C(=O)NC2(CC(=O)O)CCCCC2)c1 223332687 IFSMBPUBCNREJC-UHFFFAOYSA-N 304.390 2.660 0 50 DFAA C[C@H](Cc1ccccn1)NC(=O)N(C)CCN1CCCCCC1 426382802 RCOURBHHGBZRHX-MRXNPFEDSA-N 318.465 2.530 0 50 DFAA CCCc1nc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)cs1 92021116 KDGZQVLTWNSBMM-UHFFFAOYSA-N 318.446 2.970 0 50 DFAA CCCc1nc(C)c(CNC(=O)[C@@H](CC)n2cccn2)s1 91690421 XDTSUXUFSFWYSH-GFCCVEGCSA-N 306.435 2.868 0 50 DFAA CCc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc(=O)[nH]1 97463609 HZQUUCWDRFPHRZ-RDTXWAMCSA-N 302.418 2.978 0 50 DFAA CO[C@H](C(=O)Nc1cc(C)nn1-c1ccccn1)c1ccccc1 182327978 CNWOYUCJERVMSA-KRWDZBQOSA-N 322.368 2.902 0 50 DFAA CC(C)Cn1cncc1CN1C(=O)CC2(CCCC2)CC1=O 95499000 JHZWQCZYUOCORM-UHFFFAOYSA-N 303.406 2.749 0 50 DFAA Cc1cccc([C@@H](C(=O)N2CCC3(CCCO3)CC2)N(C)C)c1 91585917 QMJDXCMDSYSQTO-KRWDZBQOSA-N 316.445 2.769 0 50 DFAA CCOCc1cc(CN2CC[C@](C)(O)[C@H](C)C2)ccc1OC 91818432 TXKYWJSRNLSVCN-KDOFPFPSSA-N 307.434 2.825 0 50 DFAA O=C(NCCCc1cccnc1)c1cccc([C@@H]2CCCNC2)c1 95371030 QVJRANWBARZVFQ-LJQANCHMSA-N 323.440 2.911 0 50 DFAA O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1CCC21OCCO1 257357552 OUPVLBRSPMUXNK-SQWLQELKSA-N 320.410 2.558 0 50 DFAA Cc1noc(-c2cc3n(n2)C[C@@H](c2ccc(F)cc2)OC3)n1 263617652 OWAGMRDIHCEGDT-AWEZNQCLSA-N 300.293 2.652 0 50 DFAA Cc1ccc(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)c(C)n1 185366345 ANLSWLOXLRLTEO-IBGZPJMESA-N 323.396 2.974 0 50 DFAA CC(C)n1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cn1 550445580 BIBXYSSEMQNHPV-CYBMUJFWSA-N 316.336 2.668 0 50 DFAA COc1ncc(CN(Cc2ccccc2)C[C@H]2CCCO2)cn1 824851781 GINBRUNECINBKW-QGZVFWFLSA-N 313.401 2.666 0 50 DFAA Cc1nnc(N2CCC[C@H](c3nc(CC(C)C)no3)C2)s1 670455953 AYQUKBRWOVRKHQ-NSHDSACASA-N 307.423 2.812 0 50 DFAA O=C(O)c1cnc(N2CCC(c3ccc(F)cc3)CC2)nc1 844211053 FRXTWJVJWBGKEQ-UHFFFAOYSA-N 301.321 2.698 0 50 DFAA Cc1sc(C)c(C(=O)N[C@@H](C)c2cnn(C)c2C)c1C(=O)O 1875279337 SHFFDSNWHSPULF-ZETCQYMHSA-N 321.402 2.596 0 50 DFAA CN(C)c1nccc2c1CCCN2C(=O)c1cccnc1Cl 1775998418 DBIDOENXPCXOET-UHFFFAOYSA-N 316.792 2.789 0 50 DFAA NC(=O)c1cccc(NC(=O)c2ocnc2-c2ccccc2)c1 1347784377 AJZNLBBGTHWPBL-UHFFFAOYSA-N 307.309 2.693 0 50 DFAA CCn1cc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 186186291 JSFCQBCKTANFLO-AWEZNQCLSA-N 322.771 2.913 0 50 DFAA CC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)c1ccccc1F 170593039 COZATSBHYUTXSO-IUODEOHRSA-N 318.396 2.619 0 50 DFAA C[C@@H](NC(=O)OCc1ccccc1)c1ncc(C(=O)O)s1 91301555 XWARFFHSKGUJQR-SECBINFHSA-N 306.343 2.829 0 50 DFAA in-vitro COC(=O)c1ccc2c(c1)CCN2C(=O)CC[C@@H]1CCCOC1 170652053 NWEPMGFGISXOKD-ZDUSSCGKSA-N 317.385 2.569 0 50 DFAA CCc1ncncc1C(=O)OCCN1CCCc2ccccc21 170645989 BPNJCSDQUBTTJH-UHFFFAOYSA-N 311.385 2.649 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2occc2C)c1 282486092 MESCMPKBIVBBQB-UKRRQHHQSA-N 301.342 2.545 0 50 DFAA C[C@H]1C[C@H](C(=O)N2CC(Cc3cnn(C)c3)C2)CC(C)(C)C1 585130864 DXWKVHUCLYCPGS-BBRMVZONSA-N 303.450 2.883 0 50 DFAA C[C@@H]1C[C@@H](C(=O)N2CCC(N3CC[C@H](O)C3)CC2)CC(C)(C)C1 585113850 CQXWTQGWEBTPPQ-INMHGKMJSA-N 322.493 2.506 0 50 DFAA CCS[C@H]1CCCCN(C(=O)c2cnc(Cl)n2C)C1 585132040 NEBQPRGXAVNUMR-JTQLQIEISA-N 301.843 2.821 0 50 DFAA Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccnc1O 681358870 POYOHGUZGSPOTJ-UHFFFAOYSA-N 309.369 2.725 0 50 DFAA CC(C)Cc1ncc(CN2C[C@H](CN)C3(CCOCC3)C2)s1 414787822 WCFMMLZTLHUMDW-AWEZNQCLSA-N 323.506 2.529 0 50 DFAA C[C@H](NC(=O)Nc1nc(-c2cccnc2)cs1)c1ncc[nH]1 225837635 DDRBBICYBCJGCB-VIFPVBQESA-N 314.374 2.811 0 50 DFAA COC1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCCC1 683115163 CWYAPYJEUNCZIE-KRWDZBQOSA-N 316.445 2.679 0 50 DFAA CN1C[C@@H](CNCc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 647248917 OXMXJGJJLYEADV-MSOLQXFVSA-N 320.440 2.998 0 50 DFAA Cc1nc(C)c(C(=O)Nc2nc(-c3cccs3)nn2C)s1 193227319 DSCBYQRRRZFVLC-UHFFFAOYSA-N 319.415 2.869 0 50 DFAA CC1(NC(=O)c2nc3cccnc3s2)Cc2ccccc2C1 194010049 HQVKXINJAASZPY-UHFFFAOYSA-N 309.394 2.979 0 50 DFAA Cc1n[nH]c([C@@H]2CN(CC[C@@H](C)c3ccccc3)CCO2)n1 194042266 FSEJMCHHVHYTPL-CJNGLKHVSA-N 300.406 2.680 0 50 DFAA O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCC(O)CC1 194150417 GLWSLLBCZKIFKR-UHFFFAOYSA-N 303.337 2.501 0 50 DFAA C[C@@H]1c2cccn2CCN1C(=O)c1cc(N2CCCC2)ccn1 194389643 PBRLMOVVNRDZPQ-CQSZACIVSA-N 310.401 2.700 0 50 DFAA CC[C@@H](C)Oc1ccc(CNC(=O)CCc2cn[nH]c2)cc1 1506425692 CQOLQZJWFRIJMI-CYBMUJFWSA-N 301.390 2.836 0 50 DFAA Cc1nc(N2CCC(N3CCC[C@@H](CO)C3)CC2)ccc1Cl 1506430136 WUFQXYYNBHLSJG-CQSZACIVSA-N 323.868 2.717 0 50 DFAA O=C(C1CCCC1)N1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529134091 QMYBIWAFIWQCKA-APWZRJJASA-N 324.424 2.787 0 50 DFAA O=C(CCC1CCCC1)N[C@H]1COC[C@H]1Cc1ccncc1 1529173669 OBZBVAKRVITCFJ-SJORKVTESA-N 302.418 2.726 0 50 DFAA O=C(NC[C@@H](O)c1ccc(Cl)s1)c1ncoc1C1CC1 1615059428 AZQPWQINILHIDQ-MRVPVSSYSA-N 312.778 2.730 0 50 DFAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)[C@H](O)C[C@H]12 13298493 UHQGCIIQUZBJAE-VEAXJEOVSA-N 302.414 2.883 0 50 DFAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1CC1CC1 14953507 KFODHJWCUOBUMX-QGZVFWFLSA-N 310.401 2.685 0 50 DFAA CN(C(=O)c1ccn(CC(F)(F)F)n1)c1ccc(Cl)cn1 1647635584 KLHQRWQWGVGDLO-UHFFFAOYSA-N 318.686 2.770 0 50 DFAA Fc1cccc(F)c1CNC1CCN(C2CCOCC2)CC1 1857737495 OXVIEQGIXNBZHF-UHFFFAOYSA-N 310.388 2.698 0 50 DFAA CN(CCOc1ccccc1)Cc1cn(C)nc1-c1cccnc1 154735953 ZTMIDIYYDAIKRI-UHFFFAOYSA-N 322.412 2.993 0 50 DFAA C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ncco1 585128297 YCJJCAUCBRMWBU-OLZOCXBDSA-N 316.357 2.864 0 50 DFAA Cn1ccc(-c2cc(C(=O)Nc3cncc4c3CCCC4)no2)n1 1120753207 JEJBBVOXBQLJQM-UHFFFAOYSA-N 323.356 2.601 0 50 DFAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC[C@@H]2CCOC2)C12CCC2 405204144 CIUQCHWFGFHNPH-RBSFLKMASA-N 324.465 2.839 0 50 DFAA c1ccc([C@H]2CCc3nnc(CCn4cccn4)n3CC2)cc1 2100473281 IQOBHRNEULHTGC-INIZCTEOSA-N 307.401 2.837 0 50 DFAA Cc1nn2cccnc2c1-c1ccc(OC[C@H]2CCCN2)cc1 2100555333 RCVCVXKHYDHROX-OAHLLOKOSA-N 308.385 2.836 0 50 DFAA Cc1c(C2CCOCC2)noc1NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 2325793929 LUCGLRNNMNYFNF-XVSYOHENSA-N 322.405 2.875 0 50 DFAA Cc1ncn(-c2ccc(NC3CC([C@H]4CNC(=O)C4)C3)cc2)c1C 2325799739 VIPUYMBARDDXMO-ISXOHVOVSA-N 324.428 2.816 0 50 DFAA C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)c1cnn[nH]1 885248366 PENCKSUMJSPMGA-ZDUSSCGKSA-N 310.810 2.757 0 50 DFAA CC(C)c1ccc(NC(=O)CN2CCN3CCC[C@@H]3C2)cc1 22752703 HUGQBEQAOZKQNF-QGZVFWFLSA-N 301.434 2.529 0 50 DFAA O=C(CNC(=O)c1cccs1)OCc1ccc(Cl)cc1 210883 UKYCVWDIPLLGQL-UHFFFAOYSA-N 309.774 2.875 0 50 DFAA C[C@@]1(O)N(CC(=O)c2cccs2)C(=O)OC12CCCCC2 1026603 KHKXRPNLPKCZDY-AWEZNQCLSA-N 309.387 2.794 0 50 DFAA CCCN(Cc1nccn1C)C(=O)c1ccc(O)nc1C(C)C 2356134172 BVQZMUWZOZRDRE-UHFFFAOYSA-N 316.405 2.697 0 50 DFAA COc1ccccc1C(=O)NCCCc1nc2ccccc2[nH]1 2721568 MWWOTAXORJLRJU-UHFFFAOYSA-N 309.369 2.934 0 50 DFAA biogenic Cc1csc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)n1 2356167756 AZGAKBOBTPKYMH-INIZCTEOSA-N 305.447 2.571 0 50 DFAA CC(C)c1nc(O)ccc1C(=O)N1CC(N2CCCC[C@H]2C)C1 2356168851 PXICAZRJHHCZPJ-CYBMUJFWSA-N 317.433 2.609 0 50 DFAA C[C@](O)(CNC(=O)c1cncn1-c1ccccc1)c1ccccc1 114546929 SPMOWTQOKWRJOJ-IBGZPJMESA-N 321.380 2.510 0 50 DFAA Cc1cc(C[C@@H](C)NCc2c[nH]nc2-c2ccc(F)cc2)[nH]n1 55327108 DVHLWFIGTGXCNZ-LLVKDONJSA-N 313.380 2.968 0 50 DFAA Cc1cc(C)cc(N2C[C@H](C(=O)N3CCC[C@@H](C)C3)CC2=O)c1 9197775 VCXBUVNCANAGGC-CZUORRHYSA-N 314.429 2.915 0 50 DFAA CN1C(=O)N([C@@H]2CCCC[C@H]2F)C(=O)[C@@H]1Cc1ccccc1 420068979 AOJWQSXOMLRZHG-KFWWJZLASA-N 304.365 2.772 0 50 DFAA CNC(=O)c1ccc(CN[C@H](C)c2ccncc2Cl)cc1 421818620 BRQBEABMERIDNP-LLVKDONJSA-N 303.793 2.945 0 50 DFAA COc1cc2nc(N3CCC[C@H](CO)C3)cc(C)c2cc1OC 23633964 GIWXZNXOLHIPSG-ZDUSSCGKSA-N 316.401 2.769 0 50 DFAA CC[C@H](NC(=O)COc1cccc(C)c1C)c1ccnn1C 67489544 XJRCKOKZWWIEHJ-AWEZNQCLSA-N 301.390 2.683 0 50 DFAA Cc1nc(CCCn2cncn2)n(-c2cccc(Cl)c2F)n1 65409374 HICJKMCLQLWBFM-UHFFFAOYSA-N 320.759 2.593 0 50 DFAA CCN(Cc1noc(C2CC2)n1)C(=O)c1onc2ccccc12 67692611 LLGMNAUVBJINDC-UHFFFAOYSA-N 312.329 2.751 0 50 DFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C[C@H]3CCCCO3)C2)n1 249685228 MOKGANLULYTJQH-HZPDHXFCSA-N 317.433 2.610 0 50 DFAA C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cnn2ncccc12 331884438 CHGUDBVZICGKFT-KOLCDFICSA-N 312.295 2.532 0 50 DFAA CNC(=O)c1ccc(CN(C)Cc2ccccc2N(C)C)cc1 173569561 KDANPSRRBIOITD-UHFFFAOYSA-N 311.429 2.744 0 50 DFAA COc1ccc2[nH]nc(NC(=O)[C@H]3CCCC(F)(F)C3)c2c1 332290027 JAUSIIJYVPXVET-VIFPVBQESA-N 309.316 3.336 0 50 DFAA Cc1cccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1F 332618945 HJTZDKRTVFZQQP-LBPRGKRZSA-N 316.380 2.594 0 50 DFAA CC(C)c1nnc(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)s1 241588537 PDXLCOHMHFREJD-NWDGAFQWSA-N 324.450 2.515 0 50 DFAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCSCC1 127594387 KEDKUTMSLKEXBS-INIZCTEOSA-N 319.474 2.582 0 50 DFAA CCO[C@@H]1C[C@H](NC[C@H]2CC(=O)Nc3ccccc32)C1(C)C 242242336 XTYLLLAHHGSHGN-UHOFOFEASA-N 302.418 2.906 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 238004409 KATBXQIDAUVIJS-IZPAUZPXSA-N 305.349 2.942 0 50 DFAA Cc1nc(CNC(=O)c2ccc(-c3cccc(F)c3)cc2)n[nH]1 214953176 NRZGTAIIBRXYCL-UHFFFAOYSA-N 310.332 2.849 0 50 DFAA NC(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 36354900 RMMPKEJRGOZZKP-UHFFFAOYSA-N 305.337 2.829 0 50 DFAA Cc1cccc(O[C@@H](C)C(=O)NCCC2CCN(C)CC2)c1 72437721 RBONVHDNXVDCCL-HNNXBMFYSA-N 304.434 2.610 0 50 DFAA CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc2ncccc12 366872053 IYYQYFWUUJVATP-LSDHHAIUSA-N 306.369 2.735 0 50 DFAA Cc1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1C 369185224 XZLGDVMZRIFFKI-KRWDZBQOSA-N 314.429 2.921 0 50 DFAA CC(C)Oc1ccccc1C(=O)NCc1ccc(C(=O)O)o1 262128141 JYNWUWIPUXZITJ-UHFFFAOYSA-N 303.314 2.695 0 50 DFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](N)C1 157902610 VTJLVZHMNMMLIT-RISCZKNCSA-N 314.351 2.834 0 50 DFAA O=C(c1ocnc1C1CC1)N1CC[C@@H](n2cc3ccccc3n2)C1 377567245 WNQRRAQOSLIDTM-CQSZACIVSA-N 322.368 2.989 0 50 DFAA C[C@H]1CC(NC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)O1 179688833 XSSBEJDMLOZZPS-QWRGUYRKSA-N 306.362 2.535 0 50 DFAA COc1ccc([C@H](NC(=O)[C@@H](C)C2CC2)c2nccn2C)cc1 178401852 VAUHBFBGTMOZQY-LRDDRELGSA-N 313.401 2.680 0 50 DFAA Cc1cccc([C@@H](NC(=O)c2ccc(C)cc2F)C(=O)O)c1 223951061 VYBWCNLBGVYQCS-OAHLLOKOSA-N 301.317 2.998 0 50 DFAA Cc1n[nH]c(C)c1CCN1CCCC[C@@H]1CCn1cccn1 426361693 NJIAZBYXZMGFTE-MRXNPFEDSA-N 301.438 2.710 0 50 DFAA Nc1cc(-c2ccc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)cc2)ncn1 426548519 MWEQAJQOPWZXPA-IYBDPMFKSA-N 320.396 2.764 0 50 DFAA O[C@@]1(C(F)(F)F)CCN(Cc2cc(-c3ccccc3)on2)C1 225409296 QFZYJDSGWZPHDK-AWEZNQCLSA-N 312.291 2.841 0 50 DFAA CCc1ccnc(C(=O)NC2(c3noc(C)n3)CCCC2)c1 180133877 QXNVUBLPSNSJQY-UHFFFAOYSA-N 300.362 2.535 0 50 DFAA O=C(NCCC12CCCN1CCC2)[C@@H](O)c1ccc(Cl)cc1 220075700 PMQWREUVQXNPDQ-HNNXBMFYSA-N 322.836 2.508 0 50 DFAA Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cs1 332131249 NLVOYVJAVAWYHI-SECBINFHSA-N 304.371 2.714 0 50 DFAA Cc1noc(C)c1CCCNC(=O)[C@H](C)n1ccnc1C(C)C 95390586 UEXHCKLOFFDOQH-ZDUSSCGKSA-N 318.421 2.921 0 50 DFAA C[C@@H](Oc1cccc(CCOc2ccc(F)cc2)c1)C(N)=O 91656338 CPYPOBSVIPICRY-GFCCVEGCSA-N 303.333 2.700 0 50 DFAA Fc1cc(F)c2c(c1)OCCC[C@@H]2NCc1nc(C2CC2)n[nH]1 296361737 ITUUVXHSCVQWCR-LBPRGKRZSA-N 320.343 2.964 0 50 DFAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)CCCc2cn[nH]c2)C1 91444810 WFGDTLRNFZWAGU-SFHVURJKSA-N 319.449 2.690 0 50 DFAA O=C(C1CC1)N1CCC(C(=O)N2CC[C@@H]2c2cccs2)CC1 91876608 OIDDLVYXFHMWJU-CQSZACIVSA-N 318.442 2.670 0 50 DFAA Cc1cccc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)n1 95392917 HOWZGHATMGSEJS-FUHWJXTLSA-N 313.445 2.613 0 50 DFAA CSc1cccc(CN(C)[C@@H](C)C(=O)Nc2nncs2)c1 244646981 GSUDGJFWIRMGFD-JTQLQIEISA-N 322.459 2.719 0 50 DFAA COc1cnc(CN(C)CCOc2cccc(Cl)c2)cc1O 244685597 ITAJWKASUWSWFC-UHFFFAOYSA-N 322.792 2.960 0 50 DFAA CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](CN)C1 299739530 PSBOWVZTYPMRRE-ZBFHGGJFSA-N 304.434 2.775 0 50 DFAA CCc1cc(N2CC[C@](C(=O)O)(c3ccccc3)C2)nc(C)n1 534646034 BWWGXCSXMGEZSO-GOSISDBHSA-N 311.385 2.580 0 50 DFAA CCOC(=O)Cc1c(Br)cncc1Br 263624789 UEYYYROLKXXCHD-UHFFFAOYSA-N 322.984 2.712 0 50 DFAA Cc1cc(C)n(-c2ccc(NC(=O)NC3CCOCC3)cc2)n1 299801830 YKIRPFVDSWPAHW-UHFFFAOYSA-N 314.389 2.790 0 50 DFAA COc1ccc(/C=C/CN2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1 299781917 XSERNBSBADJXER-YQGXSICGSA-N 317.429 2.713 0 50 DFAA O=C(O)[C@@H]1CCCN(C(=O)/C=C/c2ccnc3ccccc23)C1 165498362 OXHBAOUKEWFKMY-HSBSLETESA-N 310.353 2.571 0 50 DFAA CN(C)c1cc(C(F)(F)F)nc(N2CC(C3CCC3)C2)n1 952845475 ZRPLWSSRGDXVPF-UHFFFAOYSA-N 300.328 2.798 0 50 DFAA COc1cc(CN(C)C(=O)Nc2cnc3c(c2)CCC3)sn1 1875277659 WVKWJPKMXXBUPG-UHFFFAOYSA-N 318.402 2.699 0 50 DFAA O=C(O)[C@@H](CCO)CN1Cc2ccccc2-c2ccccc2C1 1875312807 AYBMLKXRHOXDOS-INIZCTEOSA-N 311.381 2.752 0 50 DFAA Cc1cc(=N[C@@H]2CCC[C@@H](N)C2)[nH]c(N(C)c2ccccc2)n1 1875359208 XYEUZSWYHVEXJP-HUUCEWRRSA-N 311.433 2.657 0 50 DFAA Cn1cc(CNC(=O)Nc2ccc(F)cc2F)c(C(F)F)n1 1875312865 DDRQZRJHJRQIRX-UHFFFAOYSA-N 316.258 2.958 0 50 DFAA COc1cccc(Cl)c1CN(C=O)C[C@@H]1CCCN(C)C1 1875325401 MVIBFJVIBPQOSO-CYBMUJFWSA-N 310.825 2.649 0 50 DFAA C[C@H](Cn1cncn1)C(=O)N(Cc1cccc(Cl)c1)C1CC1 952965654 BEBAFQHBFCEWEI-GFCCVEGCSA-N 318.808 2.759 0 50 DFAA Cc1ccc(C(=O)N[C@H](CO)c2ccccc2C(F)(F)F)cn1 886560485 AUSZWTYDRCFCRC-CQSZACIVSA-N 324.302 2.872 0 50 DFAA CO[C@]1(c2nnc(C3(Cc4ccccc4F)CC3)o2)CCOC1 886086526 VZMUNLVCCHUNGH-QGZVFWFLSA-N 318.348 2.745 0 50 DFAA C[C@H]1CN(C(=O)c2ccc(Br)s2)C[C@@H](C)O1 16603128 ISWYFNMJEUZRSF-OCAPTIKFSA-N 304.209 2.760 0 50 DFAA CCOc1cccc(CN(C)C[C@H](O)C2CC2)c1OC(F)F 585084639 XMEYUUZDGWLRPV-ZDUSSCGKSA-N 315.360 2.889 0 50 DFAA C[C@@H](Cc1ccc(F)cc1Cl)NCC1(O)CCOCC1 585087378 DBQLONYZUUECMA-NSHDSACASA-N 301.789 2.541 0 50 DFAA CCC1CCN(C(=O)C2CCC(N3CCOCC3)CC2)CC1 585129599 PAGFZXLVNNYCJJ-UHFFFAOYSA-N 308.466 2.526 0 50 DFAA Cc1cc(CN(C)C(=O)c2cccc3c2OCC3(C)C)no1 279057125 RQSNCQYNXZRAPC-UHFFFAOYSA-N 300.358 2.925 0 50 DFAA OC[C@@H](CNCc1ccc(Cl)c2cccnc12)[C@H]1CCOC1 280259035 JPJTWCNGVKJAOA-UONOGXRCSA-N 320.820 2.623 0 50 DFAA C[C@H](O[C@@H](C)C(=O)N1CCCC2(CCCCCC2)C1)C(=O)O 634892664 TWRYKDQUEHRPDS-KBPBESRZSA-N 311.422 2.828 0 50 DFAA CC(C)(C)CS(=O)(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C 408430239 QVZDDEHPBRQKOM-OLZOCXBDSA-N 305.484 2.793 0 50 DFAA CCCN(CCc1cccc(F)c1)Cc1nc(N(C)C)no1 192720801 DLUBVDVZGGTBGS-UHFFFAOYSA-N 306.385 2.729 0 50 DFAA COc1cccc(O[C@@H](C)C(=O)Nc2cnn(C(C)C)c2)c1 1529120118 UHYQWYBGRYSLPC-LBPRGKRZSA-N 303.362 2.879 0 50 DFAA CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCCCO 1615590383 NOASYIXQJJHBQC-LSDHHAIUSA-N 314.470 2.630 0 50 DFAA 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308.838 2.822 0 50 DFAA O=C(O)c1ccc(C(=O)N(Cc2ccccc2)CC(F)F)cn1 238029478 UTNMKLRFIMUFOM-UHFFFAOYSA-N 320.295 2.687 0 50 DFAA CCOc1ccc(OC(=O)CSCCc2cnccn2)cc1 2325772739 XCRICLYQYKLTGN-UHFFFAOYSA-N 318.398 2.757 0 50 DFAA Cc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)c1 309026 UXELVMWVYUGMGV-UHFFFAOYSA-N 314.366 2.820 0 50 DFAA Cc1cccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 314220 DCJFWLUDBXEHOA-UHFFFAOYSA-N 308.337 2.901 0 50 DFAA O=C(CSCC(=O)NC1CCCCC1)Nc1ccccc1 317123 LSDVZRSRHBSZLV-UHFFFAOYSA-N 306.431 2.807 0 50 DFAA CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 2811001 PYGZJAKJLMEDOX-UHFFFAOYSA-N 307.357 2.541 0 50 DFAA O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 2943187 SAXGZEUQKMMJEH-UHFFFAOYSA-N 302.761 2.637 0 50 DFAA OCCNCCCOc1ccc(OCc2ccccc2)cc1 3001943 KWAFKFOOZGSJNG-UHFFFAOYSA-N 301.386 2.616 0 50 DFAA COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cc(C)on1 4436614 WCYWRTHHRODNFP-UHFFFAOYSA-N 323.736 2.856 0 50 DFAA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C 4865513 BNPSWJIAQTZBPL-UHFFFAOYSA-N 319.382 2.875 0 50 DFAA 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313.397 2.648 0 50 DFAA c1ccc(COc2cccc(CN3CCN4CCC[C@@H]4C3)c2)nc1 179550708 DXMVGFUGVKAGCC-LJQANCHMSA-N 323.440 2.941 0 50 DFAA CSc1ncc(CNC(=O)Nc2ccc3c(c2)CCC3)n1C 96148218 ZGFWMDSWKYOFJV-UHFFFAOYSA-N 316.430 2.952 0 50 DFAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 239403229 RQOHHXHILZMNLH-ZBFHGGJFSA-N 322.474 2.669 0 50 DFAA Cc1ccn2cc(CNC(=O)[C@@H]3COc4ccccc4C3)nc2c1 95501961 AYHHNFKEUTYTKE-HNNXBMFYSA-N 321.380 2.510 0 50 DFAA c1ccc2sc(CCc3nc([C@@H]4CCOC4)no3)nc2c1 96149057 VXKZFJKBLUSIEF-SNVBAGLBSA-N 301.371 2.968 0 50 DFAA CC1(C)CC(CC(=O)NC[C@@H](O)c2ccccc2)CC(C)(C)N1 97272546 AXNCRWNKLFEINA-MRXNPFEDSA-N 318.461 2.783 0 50 DFAA O=C(O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 257355268 ZVYMTPNGDSQVIS-UHFFFAOYSA-N 301.142 2.747 0 50 DFAA CCc1noc(C)c1CNC(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 297779354 NMBBFOMZJJMFMY-NZBPQXDJSA-N 301.390 2.509 0 50 DFAA c1nc2c(n1[C@@H]1CCN(c3nnc(C4CC4)s3)C1)CCCC2 299738853 HJBFLDPGLULTMI-GFCCVEGCSA-N 315.446 2.942 0 50 DFAA O=C(O)[C@H]1CCCN(C2CCN(c3ccccc3F)CC2)C1 534656595 MGRWBFMPUUEDIT-ZDUSSCGKSA-N 306.381 2.591 0 50 DFAA CCn1nc(CN[C@@H](C)CC(C)(C)NC(C)=O)c2ccccc21 534651762 DFMMEXQSUCFBQD-ZDUSSCGKSA-N 316.449 2.839 0 50 DFAA Cc1nn(CCNC(=O)C2=Cc3ccccc3OC=C2)c(C)c1C 670444344 AMGUOEMTFCFSBU-UHFFFAOYSA-N 323.396 2.914 0 50 DFAA Cc1cccc([C@@H]2C[C@H]2C(=O)N(C[C@@H](C)C(=O)O)C2CC2)c1 630155815 CCEKVQUXJUIWEN-UHOFOFEASA-N 301.386 2.810 0 50 DFAA C[C@H]1CNc2c(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)cnn2C1 952994597 ZOEXJUQHBPVZFT-CORIIIEPSA-N 302.422 2.643 0 50 DFAA Cc1nc(=N)[nH]cc1C(=O)N(C)[C@H](C)c1ccccc1Cl 1875278304 OVJUDHBHIJLZJE-SNVBAGLBSA-N 304.781 2.684 0 50 DFAA COc1ccc([C@@H](NC(=O)CC(=O)O)c2ccc(F)cc2)cc1 1875261798 UUXLVPHVASWTFT-KRWDZBQOSA-N 317.316 2.515 0 50 DFAA C[C@@H]1C[C@@H](NCC(=O)Nc2cnc3ccccc3c2)c2nccn21 1875265738 JHJBORRIVHEKBN-MLGOLLRUSA-N 321.384 2.665 0 50 DFAA O=C(C[C@@H]1CC2(CCC2)CO1)NC12CCC(C(=O)O)(CC1)CC2 1875304624 PVNZBLGANGFMMT-NLNFPOJYSA-N 321.417 2.630 0 50 DFAA Cc1ccccc1S(=O)(=O)N(C)CCCc1c(C)n[nH]c1C 952974232 ZRQJTMDJJRRSTN-UHFFFAOYSA-N 321.446 2.588 0 50 DFAA O=C(NC[C@@H]1CCCN(CCC(F)(F)F)C1)c1ccoc1 952962408 BLLPRCKPFKRTPY-NSHDSACASA-N 304.312 2.674 0 50 DFAA Cc1c(CN2C[C@@H]3CC[C@H](C2)C(=O)N3C)[nH]c2ccc(F)cc12 75941926 AZDQHAAVQLMRDK-OCCSQVGLSA-N 315.392 2.668 0 50 DFAA Cc1ccc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c(C)n1 682362547 JCEJLSZFWXQOON-FDYHWXHSSA-N 314.307 2.993 0 50 DFAA Cc1ccc(NCCC(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1Cl 170015028 BVDLAZCWDNQFMV-KBPBESRZSA-N 322.836 2.965 0 50 DFAA c1nc([C@H]2CCCO2)sc1CNc1nnc(CC2CC2)o1 170068219 XHUZFHQNZDUTTG-LLVKDONJSA-N 306.391 2.942 0 50 DFAA N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N(CCC(F)(F)F)CC1CC1 170677973 LRNUAFWHXQEDEW-RVMXOQNASA-N 304.356 2.551 0 50 DFAA O=C1CCCN1c1ccc(OCCO[C@@H]2CCCCO2)cc1 170616312 HNQJQFJHBNLHRB-QGZVFWFLSA-N 305.374 2.735 0 50 DFAA COC(=O)N1CCC[C@H](C(=O)Nc2nc(C(C)C)cs2)C1 171460148 RERXQBCSFWOJHE-JTQLQIEISA-N 311.407 2.683 0 50 DFAA 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SLJFLFHHKIMFMZ-JKSUJKDBSA-N 323.387 2.904 0 50 DFAA CCn1nc(C)c(C(=O)OCc2cccnc2N(C)C)c1Cl 253424695 JUJVBIZDEDSHTJ-UHFFFAOYSA-N 322.796 2.683 0 50 DFAA Cc1ccc([C@H]2CN(CCCO[C@H]3CCCCO3)CCO2)o1 241707059 QMGNIXBCYKGHOO-SJORKVTESA-N 309.406 2.895 0 50 DFAA Cc1ccnc(NC[C@@H]2CCN(Cc3cnc4[nH]ccnc3-4)C2)c1 365616980 MFYKKEOFFUFNDF-AWEZNQCLSA-N 322.416 2.547 0 50 DFAA Cc1ncccc1NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 175214850 XAWWLRROHXUGIS-CQSZACIVSA-N 313.357 2.616 0 50 DFAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(Cc2cc[nH]n2)C1 343843184 BNAHSMQRUSXMJZ-SNVBAGLBSA-N 313.327 2.542 0 50 DFAA C=CC(=O)Nc1cc(NC(=O)/C=C/C2CCOCC2)ccc1F 136555560 ZOGSXWXACWXDBC-ZZXKWVIFSA-N 318.348 2.872 0 50 DFAA O=C1[C@H](Sc2ncccn2)CCN1c1c(F)cccc1F 176126715 UPHKKDPFNHWEKB-LLVKDONJSA-N 307.325 2.652 0 50 DFAA CC(C)c1ccoc1-c1nc([C@H]2CN3CCC[C@H]3CO2)no1 288939539 AGXMRDRSSZRMMO-WCQYABFASA-N 303.362 2.989 0 50 DFAA COc1ccc2[nH]c(CNC(=O)c3ccn(C(C)C)n3)cc2c1 426479184 ZSJWXTMOSFQPOZ-UHFFFAOYSA-N 312.373 2.884 0 50 DFAA CCCc1cc(C(=O)NCCCn2ccccc2=O)cs1 221454583 JHPQUTPDJXCYFJ-UHFFFAOYSA-N 304.415 2.682 0 50 DFAA CO[C@H](C)c1ccc(-c2nc(=O)n(Cc3ccccc3)[nH]2)cc1 426599499 FYDFZDZZKYCGJI-CYBMUJFWSA-N 309.369 2.994 0 50 DFAA Cc1cc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)no1 239439354 ZUKHTAIFRSERHP-AZGDMVHKSA-N 322.364 2.912 0 50 DFAA CCc1ncc(C(=O)N[C@@H]2CCCc3cc(OC)ccc32)cn1 95383053 VTWWOJDDCASWBZ-MRXNPFEDSA-N 311.385 2.855 0 50 DFAA Cc1ccc([C@H](C(=O)N(C)CCC2(O)CCCC2)N(C)C)cc1 92064933 BSEPLAUSCDZUOG-QGZVFWFLSA-N 318.461 2.751 0 50 DFAA COc1cc(C)cc(OC)c1-c1ncccc1C(=O)N(C)C 97815433 RMMAKXMCKYQMHI-UHFFFAOYSA-N 300.358 2.776 0 50 DFAA C[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1cscn1 622748707 JBGISGIYUFXWAS-LBPRGKRZSA-N 312.398 2.879 0 50 DFAA CC(=O)Nc1ccc(CNC(=O)CN2CCCCCCC2)cc1 244858514 VMOIKOFMNCJAQL-UHFFFAOYSA-N 317.433 2.527 0 50 DFAA COCCn1cncc1CN1CCCC[C@H]1c1ccccn1 244795015 QYBKMRPDKVHRJK-KRWDZBQOSA-N 300.406 2.652 0 50 DFAA O[C@H](C[C@@H]1COCCN1c1ncccc1F)c1ccccc1 268705631 SFUJQHCSOZLNNA-GDBMZVCRSA-N 302.349 2.550 0 50 DFAA O=C(NCCCc1ccco1)N1CCCC[C@H]1CN1CCCC1 534575201 SZXKTDWZZLPKOG-INIZCTEOSA-N 319.449 2.872 0 50 DFAA CN1CCN(C)[C@H](CNc2ccnc3ccc(Cl)cc23)C1 265097055 CODAUFXZLJIZSP-CYBMUJFWSA-N 304.825 2.546 0 50 DFAA Cc1cc(=O)cc(C(=O)NCCc2nc(C(C)C)cs2)o1 299770862 SCCJYGPYONQOEV-UHFFFAOYSA-N 306.387 2.501 0 50 DFAA O=C(NCC1(N2CCCC2)CCCC1)c1ccncc1Cl 584903395 VWNULVRNZKZKJP-UHFFFAOYSA-N 307.825 2.873 0 50 DFAA O=C([C@@H]1CCCCO1)N(Cc1cncs1)Cc1cncs1 952883122 XUUDAWVXCBCSMU-ZDUSSCGKSA-N 323.443 2.698 0 50 DFAA Cc1cccc([C@H](C)CNC(=O)c2cccc3c2CNC3=O)c1 1875276122 RXSJXFYWSWHWNY-CYBMUJFWSA-N 308.381 2.772 0 50 DFAA Cc1ccccc1CN(C1CC1)S(=O)(=O)Cc1nocc1C 1364768565 WAQKJWZDWHQCOG-UHFFFAOYSA-N 320.414 2.786 0 50 DFAA COc1ccc(OC)c(NC(=O)CCN[C@H]2C[C@@H]3CC[C@H]2C3)c1 1565515207 DFHHIDSUSXNZTJ-IPYPFGDCSA-N 318.417 2.811 0 50 DFAA Brc1cnn(Cc2noc(C(C3CC3)C3CC3)n2)c1 274123994 KHQOZQABBNWGIO-UHFFFAOYSA-N 323.194 2.981 0 50 DFAA C[C@H]1OCCC[C@H]1C(=O)NCc1nc2cccc(Cl)c2n1C 276889026 DCVIFBUQISWCSX-GHMZBOCLSA-N 321.808 2.658 0 50 DFAA c1ccc(N[C@H]2CCN(c3nccc(N4CCCC4)n3)C2)cc1 169985541 TVWZCFVTFTXCQF-INIZCTEOSA-N 309.417 2.768 0 50 DFAA CCO[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3O2)C12CCOCC2 170082819 RHMVRDNGUNDKKN-CGTJXYLNSA-N 317.429 2.554 0 50 DFAA O=C([C@@H]1CCc2ccccc2O1)N(Cc1ccncc1)C1CC1 411590736 VKFPOVBICBQENK-SFHVURJKSA-N 308.381 2.966 0 50 DFAA Cn1c(Cl)cnc1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 225516557 HOEVQTQLDSMHQV-OLZOCXBDSA-N 309.772 2.521 0 50 DFAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOc2ccccc21 172766263 XNOCJBKEKVTPDI-GFCCVEGCSA-N 313.401 2.641 0 50 DFAA CCCOC1(CNC(=O)c2cccc3nn[nH]c23)CCCCC1 188297221 HPXDUDJJXOYSTE-UHFFFAOYSA-N 316.405 2.817 0 50 DFAA Cc1c(NC(=O)[C@H](C(=O)O)C2CCCC2)cccc1N(C)C 663043986 LRQJNYMHCRABFW-OAHLLOKOSA-N 304.390 2.891 0 50 DFAA COc1cc(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)sn1 585117487 GFOAAIJEDKRADI-BLLLJJGKSA-N 305.447 2.933 0 50 DFAA CON1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1 585131393 UOKITOAGJORRAQ-DYVFJYSZSA-N 302.418 2.700 0 50 DFAA Cc1c(-c2ccccc2)noc1NC(=O)[C@@H](C)Cn1cncn1 1506401597 JZNMIZRIRHDHAK-NSHDSACASA-N 311.345 2.516 0 50 DFAA O=S(=O)(c1ccc(Br)cc1)N1CCCCC1 293564 AVWJTUSLSQWCFK-UHFFFAOYSA-N 304.209 2.624 0 50 DFAA in-vitro Cc1nccnc1CNC(=O)c1cc(C(F)(F)F)cs1 1875311817 BYMHEOWZORXKFU-UHFFFAOYSA-N 301.293 2.795 0 50 DFAA O=C(O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 5103051 IEQPMMZJIGVJTE-NTEUORMPSA-N 303.264 2.820 0 50 DFAA CC(C)Oc1cccc(Cc2cnc(N3CCOCC3)nc2)c1 1772701579 LJOVZBVNJJXCLZ-UHFFFAOYSA-N 313.401 2.691 0 50 DFAA CN(C)Cc1nnc(NCC2(c3ccc(Cl)cc3)CC2)o1 1772700681 GGUDBRBFJYJIDF-UHFFFAOYSA-N 306.797 2.928 0 50 DFAA COc1ccc(CCCC(=O)N2CCC[C@H]2C2(O)CC2)cc1 1772809058 KXIARRBZGVFAJF-INIZCTEOSA-N 303.402 2.534 0 50 DFAA Cc1cccc(OCCCN(C)C[C@@H]2CCC(=O)N(C)C2)c1 1775980109 UTDWBRYWGNXEJP-INIZCTEOSA-N 304.434 2.564 0 50 DFAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccccc2C)CC1 16605805 OFZFOBWUVFDTTG-HNNXBMFYSA-N 304.434 2.753 0 50 DFAA COc1cccc(C(=O)NCC(=O)Nc2c(C)cccc2C)c1 17855771 DZOPHBYPTSFSHW-UHFFFAOYSA-N 312.369 2.681 0 50 DFAA Cc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)ccc1F 19909346 JHVVQRMCEGFARP-UHFFFAOYSA-N 318.373 2.585 0 50 DFAA CCn1nccc1C(=O)N1CCC(c2ncc(C)s2)CC1 683349959 YJMBMISTRAHIGM-UHFFFAOYSA-N 304.419 2.688 0 50 DFAA Clc1cccc(-c2noc(N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)n2)c1 333686805 LZMXXTLTFCGHKE-XJFOESAGSA-N 315.760 2.780 0 50 DFAA CC[C@@H](C)n1nc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1C 330687551 NMBDJZJGTWYXJK-LLVKDONJSA-N 317.437 3.446 0 50 DFAA CCOc1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)O)cc1 236915242 FRKSPBACEJRUQW-HNNXBMFYSA-N 319.401 2.874 0 50 DFAA O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc2n(n1)CCCC2 333252427 DOYZMHIURQLLGR-CQSZACIVSA-N 315.348 2.612 0 50 DFAA Cc1csc2c(N[C@@H]3CCO[C@@]4(CCOC4)C3)ncnc12 239367119 AHPJLUWRHNKNDL-ABAIWWIYSA-N 305.403 2.750 0 50 DFAA Cc1ccc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)cc1C 393249857 AMBBUABPCXCRHR-CHWSQXEVSA-N 300.324 2.798 0 50 DFAA CC1(C)C[C@H](O)c2cccc(NS(=O)(=O)c3ccoc3)c2O1 901963270 UJJGMPQQWNGBLQ-ZDUSSCGKSA-N 323.370 2.675 0 50 DFAA O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(C(=O)O)cc1 98980 ZDXJNWPCKJTDQK-NTEUORMPSA-N 311.268 2.868 0 50 DFAA Clc1ccc2[nH]c(CN3CC(Oc4ncccn4)C3)cc2c1 2325788720 ZKARIJOQNZBPSG-UHFFFAOYSA-N 314.776 2.875 0 50 DFAA Cc1cn(CC(=O)N[C@@H](c2cnn[nH]2)C(C)C)c2ccccc12 2325791223 CLFWZNZVVYIZKG-QGZVFWFLSA-N 311.389 2.581 0 50 DFAA CC(C)(C)c1ncc(CN2C[C@@H](C(=O)O)CCC23CCC3)cn1 2325798374 XGTISXBWAUEXSD-AWEZNQCLSA-N 317.433 2.993 0 50 DFAA O[C@@H]1c2ccccc2OC[C@@H]1NCc1cccc(-c2cn[nH]c2)c1 2325854312 XHKMOGMTVNHPLM-PKOBYXMFSA-N 321.380 2.661 0 50 DFAA N[C@@H]1CCCc2ccc(C(=O)N=c3cc[nH]c4ccncc34)cc21 2325857206 STZIDUATTXAKJM-MRXNPFEDSA-N 318.380 2.640 0 50 DFAA O=C(C[C@@H](c1ccccc1)c1ccccc1O)N1CCOCC1 38360 SCVKIFYWDXYFIN-KRWDZBQOSA-N 311.381 2.773 0 50 DFAA CCc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 361549 NJFMCNTWGUYJKB-UHFFFAOYSA-N 307.353 2.598 0 50 DFAA COc1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 1330443 CZWSHPMVJSGSIJ-HNNXBMFYSA-N 316.357 2.681 0 50 DFAA O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O 4841003 HBSOADSGISQKAT-UHFFFAOYSA-N 315.712 2.834 0 50 DFAA CCc1nsc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328629974 PIKFEUZQSRROCP-ZFWWWQNUSA-N 317.462 2.625 0 50 DFAA COc1cc(CN2CCN(c3ccccc3F)CC2)ccc1O 55542954 ILLUPOAQABMANN-UHFFFAOYSA-N 316.376 2.862 0 50 DFAA CCc1nc(N2CCC[C@H]2C(=O)O)c2c3c(sc2n1)CCC3 57362924 PUUCYUBLRDALEA-JTQLQIEISA-N 317.414 2.796 0 50 DFAA CCOc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101114544 FYRPDSVRKDODDO-BHTHQVBYSA-N 309.365 2.787 0 50 DFAA Cc1ccc(CN(C(=O)C[S@](=O)c2ccccc2)C2CC2)o1 173140807 KQDKRCHUUNXCHC-QFIPXVFZSA-N 317.410 2.887 0 50 DFAA Cc1cc(N2CCC[C@@H](N(C)Cc3ccccn3)CC2)ncn1 328624783 CNWQOHHHBRZTHF-QGZVFWFLSA-N 311.433 2.671 0 50 DFAA Cn1cnnc1[C@@H]1CN([C@H]2CCc3c(Cl)cccc32)CCO1 328646950 SYDKISMUZUMCJQ-GJZGRUSLSA-N 318.808 2.529 0 50 DFAA CC(C)n1nccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 337187516 QEPUPGICOOYGCE-DLBZAZTESA-N 303.381 2.911 0 50 DFAA Cc1ccc2c(c1)CC[C@H](c1nc(Cc3ccnn3C)no1)O2 350063371 HVGQZAZGGZXXTB-OAHLLOKOSA-N 310.357 2.769 0 50 DFAA O=C(Nc1ccc2c(c1)CCCN2)N1CCOC[C@@H]1C1CC1 333318335 MPFWEICVQPTWCR-MRXNPFEDSA-N 301.390 2.687 0 50 DFAA Cn1ccnc1[C@@H](NC(=O)COc1ccccc1Cl)C1CC1 219778631 SAQMDMHGIVBHRQ-HNNXBMFYSA-N 319.792 2.720 0 50 DFAA CC[C@@H](CC1CCCC1)C(=O)N1CCOC[C@H]1c1ncon1 334125907 PGMZHYQVSXUTIH-KBPBESRZSA-N 307.394 2.576 0 50 DFAA O=C(O)CC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 237928425 UARQNRZKZSQWOP-AWEZNQCLSA-N 314.385 2.956 0 50 DFAA Cc1ccn(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 285592600 QXKZLROAAVYFRT-IIDMSEBBSA-N 304.434 2.879 0 50 DFAA CCc1nc(C)sc1CN1CCN(CC(C)C)C(=O)[C@@H]1C 72161607 CTLHJNSDABBGBZ-LBPRGKRZSA-N 309.479 2.703 0 50 DFAA COc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1F 156578683 MLYUWPOEDNKVHY-UHFFFAOYSA-N 312.304 2.872 0 50 DFAA O=C(C1=Cc2ccccc2OC1)N1CC[C@H](O)c2ccccc2C1 374675956 FDVRUKIPASAYML-SFHVURJKSA-N 321.376 2.928 0 50 DFAA COC(=O)[C@]12CCC[C@@H]1CN(c1noc(-c3ccccc3)n1)C2 158428486 LBZHXVOBAXRSAV-DYVFJYSZSA-N 313.357 2.516 0 50 DFAA COC[C@H]1CCCN(C(=O)CCCC(=O)c2ccccc2)C1 219256799 LPZOLJYQAYFTTA-HNNXBMFYSA-N 303.402 2.925 0 50 DFAA CN(Cc1nccs1)C(=O)Nc1nnc(C(C)(C)C)s1 175757401 AQYGMYCOMPTXGM-UHFFFAOYSA-N 311.436 2.956 0 50 DFAA C[C@H]1OCC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 378426946 WXRDCQGNISDPMR-QAPCUYQASA-N 316.445 2.534 0 50 DFAA CCCCCCN1CC2(CCN(C[C@@H]3CCOC3)CC2)OC1=O 72474016 OLCCAPPMLYKQEH-INIZCTEOSA-N 324.465 2.890 0 50 DFAA CC(C)(O)CCc1cccc(C(=O)NCC2(O)CCCCC2)c1 72457574 AHOACLLXCWMZRR-UHFFFAOYSA-N 319.445 2.815 0 50 DFAA COCC1=CCN(C(=O)c2n[nH]c3ccc(Cl)cc23)CC1 288094736 ZUDSFMAEFXPPDD-UHFFFAOYSA-N 305.765 2.635 0 50 DFAA CNC(=O)[C@@H](NC(=O)/C=C(\C)c1ccccc1Cl)C(C)C 178682231 GYEJJJKTBBZUTJ-GDXASINISA-N 308.809 2.630 0 50 DFAA COC(=O)c1c(-c2ccccc2)nn(Cc2ccccc2)c1N 44124303 NEBOGEHHNNJGAO-UHFFFAOYSA-N 307.353 2.967 0 50 DFAA CN(C)C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 47977121 BHBHWJSYTYHDTI-UHFFFAOYSA-N 309.797 2.672 0 50 DFAA Cc1n[nH]c(C)c1-c1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1 426361418 UXYSKBWKRBMKTK-GFCCVEGCSA-N 323.400 2.709 0 50 DFAA CN(C(=O)[C@@H](O)c1cccc(F)c1)C1CC(C)(C)NC(C)(C)C1 220143832 RZNPBRNWFSYRCL-HNNXBMFYSA-N 322.424 2.627 0 50 DFAA CC(C)[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H]1N(C)C 95529689 YZPIEQMLCZGTDA-JKSUJKDBSA-N 307.413 2.553 0 50 DFAA OCCCCCn1cc(-c2ccc([C@H]3CCCCO3)o2)nn1 91452631 QUZBZPYQHRWVHO-OAHLLOKOSA-N 305.378 2.942 0 50 DFAA COc1ccc(Br)cc1[C@@H]1CCCN1CC(=O)O 237157940 QQLODQBNKLJRCQ-NSHDSACASA-N 314.179 2.679 0 50 DFAA Cc1ccc(C)c(NCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1 239309163 HFWAHWIOXYPHKM-OZINRZGZSA-N 322.408 2.726 0 50 DFAA Cc1cc(C(=O)NCCN2CC[C@H](c3ccccc3)C2)cc(C)n1 97694762 NDQNHHCEJYOBNH-SFHVURJKSA-N 323.440 2.918 0 50 DFAA CCOC(=O)CN(C(=O)c1csnc1C)c1ccccc1F 183160460 FKWIHLVDJHIOBS-UHFFFAOYSA-N 322.361 2.801 0 50 DFAA Cc1nc(O)cc(CN(Cc2ccccn2)Cc2ccco2)n1 244811523 SGCARUOJNUUMHK-UHFFFAOYSA-N 310.357 2.681 0 50 DFAA Cc1oncc1[C@@H](C)OC(=O)c1ccc(C(=O)NC2CC2)cc1 253425172 QGYNBEXNFWAJMJ-SNVBAGLBSA-N 314.341 2.793 0 50 DFAA CCOCC(C)(C)NC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 534581945 VTCXHBUTUIIYHH-AWEZNQCLSA-N 307.438 2.778 0 50 DFAA Cc1cc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)ccc1F 264538338 AGPHLZRIQNZENV-INIZCTEOSA-N 319.424 2.904 0 50 DFAA CCc1ocnc1C(=O)NCCCn1nc(C)c(Cl)c1C 299799048 XACSRDWKAQABAR-UHFFFAOYSA-N 310.785 2.524 0 50 DFAA CCCc1ncncc1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 823018945 RDXMOYHWYORQOA-UHFFFAOYSA-N 322.372 2.775 0 50 DFAA Cc1c(NC(=O)c2ccncc2F)cccc1-c1nncn1C 828193925 HAWDKBSPAJFWQS-UHFFFAOYSA-N 311.320 2.577 0 50 DFAA Cc1cccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)O)cs2)n1 585134364 PLYSHTUYXXIMLV-GFCCVEGCSA-N 317.370 2.522 0 50 DFAA COCc1nc(Cn2nc(C)cc2C)n(C2CCCCC2)n1 670449157 BSNPQHZRINQJEJ-UHFFFAOYSA-N 303.410 2.791 0 50 DFAA CC(=O)Nc1ccc(CCN[C@@H]2CCCc3c2cnn3C)cc1 165692894 UFYMRXSQPFOFMR-QGZVFWFLSA-N 312.417 2.588 0 50 DFAA CN(C)[C@@H](CNC(=O)N1CCC(=C(F)F)CC1)c1ccco1 952879460 RDACYHXZMRMGRE-LBPRGKRZSA-N 313.348 2.838 0 50 DFAA O[C@H](CN[C@H]1C[C@@H]2COC[C@@H]21)c1cc(Cl)cc(Cl)c1 952992865 FDRYKMIKCMBJJB-IGJVIKARSA-N 302.201 2.651 0 50 DFAA 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0 50 DFAA O=C(NCc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 2988825 ZLRPISPTENGTCC-UHFFFAOYSA-N 308.809 2.795 0 50 DFAA CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1ccc2ccccn12 2356150057 JQHXCLCCNNOVCH-SFHVURJKSA-N 324.380 2.841 0 50 DFAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cnn2ccccc12 345071906 HGDIPKCIHFZAHC-OAHLLOKOSA-N 309.373 2.652 0 50 DFAA Cn1cc(C(=O)CSc2nnc(N)s2)c2ccccc21 9423524 XGSGQSOWUWIBKV-UHFFFAOYSA-N 304.400 2.587 0 50 DFAA O=C(N1CCc2cc(Br)ccc2C1)C(F)(F)F 59853386 VIYFAVQKQRGTCI-UHFFFAOYSA-N 308.097 2.896 0 50 DFAA COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@H](C(=O)O)C1 136111353 FYWHVWXARAWXJD-HIFRSBDPSA-N 319.401 2.587 0 50 DFAA C[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(F)cc1F 20400123 QLNUESONLKOKDA-MRVPVSSYSA-N 310.325 2.783 0 50 DFAA Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 27651017 TUNJWZWWFLXWIN-LBPRGKRZSA-N 313.332 2.521 0 50 DFAA CCc1nc(C)c(C(=O)N2CC[C@](O)(c3ccccc3)C2)s1 65398142 INQOUDHNXIWMBH-QGZVFWFLSA-N 316.426 2.748 0 50 DFAA O[C@@H]1CN(Cc2c[nH]cn2)CC[C@H]1c1ccc2ccccc2c1 67878485 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NC1(c2noc(-c3c[nH]nc3-c3ccccc3F)n2)CCCC1 261726994 JZPQOANSJQICRM-UHFFFAOYSA-N 313.336 2.994 0 50 DFAA c1ccc2c(c1)cnn2[C@@H]1CCN(CCO[C@@H]2CCCCO2)C1 373117443 GLNMMZRKHJWBDM-SJLPKXTDSA-N 315.417 2.826 0 50 DFAA O=C(O)CC1CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 262446571 OTXWUDZTJZZNSD-OWOJBTEDSA-N 305.349 2.942 0 50 DFAA Cc1ccc(-c2ccnc(N3CCC4(CCO4)CC3)n2)c(C)n1 71754502 YIOHPLFYJHAKGG-UHFFFAOYSA-N 310.401 2.915 0 50 DFAA Cn1nc(C(=O)NCCCc2ccccn2)cc1-c1ccccc1 426668439 RXPMZCMFBSYDPU-UHFFFAOYSA-N 320.396 2.845 0 50 DFAA COC[C@H](CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1)OC 617228052 BTLILXTWZNDINQ-AWEZNQCLSA-N 304.390 2.566 0 50 DFAA CNCc1nnc(SCc2cccc(C(F)(F)F)c2)n1C 426370458 JAYWEWYOZROFMT-UHFFFAOYSA-N 316.352 2.846 0 50 DFAA CCOc1cccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 295307250 JZUIIBPPVZEMPO-AWEZNQCLSA-N 302.418 2.642 0 50 DFAA CCn1ccnc1[C@H]1CCCN(c2nc(C)ccc2C(=O)O)C1 92081886 ROJGYDFMOBHPER-ZDUSSCGKSA-N 314.389 2.689 0 50 DFAA Cc1c([C@H](C)NC(=O)CCN)cnn1-c1cccc2ccccc12 91694211 IZNUXKTYLLJOAX-ZDUSSCGKSA-N 322.412 2.860 0 50 DFAA C[C@@H](c1ccc(-c2nc(N)nc3[nH]cnc23)cc1)N1CCCC1 534664751 IKWIIQOZMHQHNV-NSHDSACASA-N 308.389 2.759 0 50 DFAA O=C(O)[C@H]1CCCN1c1nnc(Cc2ccc(Cl)cc2)s1 263387784 FGDQMYFDZQVURG-LLVKDONJSA-N 323.805 2.836 0 50 DFAA CCc1ccc(CN(Cc2cnc(C(=O)O)cn2)C2CC2)cc1 530162378 NPSPFUHYAHEVAA-UHFFFAOYSA-N 311.385 2.902 0 50 DFAA CN(C(=O)[C@@H]1CCCC(=O)N1)[C@H]1CCCC[C@@H]1c1ccccc1 643611188 YXTCAMPMKKHZLV-IKGGRYGDSA-N 314.429 2.840 0 50 DFAA O=C(NCCCc1ccccc1F)c1cnc(O)c(Cl)c1 828198230 TWNIOBZUKCPHJL-UHFFFAOYSA-N 308.740 2.942 0 50 DFAA Cn1ccnc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 765298766 DANIFULUFCYKIW-CQSZACIVSA-N 311.385 2.987 0 50 DFAA CCO[C@H]1C[C@@H](N(C=O)Cc2cccc3nccn23)C12CCC2 1875325570 PMVLALPKJYINTO-CVEARBPZSA-N 313.401 2.640 0 50 DFAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(C)cc2Cl)C1 888077594 KLODJRLIOHGJSQ-BXUZGUMPSA-N 319.792 2.974 0 50 DFAA CC1(C)CN[C@H]1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 888102453 DNVYDOFJWFNYQU-AWEZNQCLSA-N 318.808 2.521 0 50 DFAA Cn1nc(C(=O)N[C@@H](c2ccncc2)C2CC2)cc1C(F)F 890922488 AQTBMRCLNMGDGZ-CYBMUJFWSA-N 306.316 2.634 0 50 DFAA Cc1cnccc1CCNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 277178335 JRIZSVNOFGIDQA-PXNSSMCTSA-N 322.408 2.789 0 50 DFAA O=C(Nc1cccc(F)c1)N1CCC([C@@H](O)c2ncc[nH]2)CC1 170091156 MUMQRQBMVXJDOC-CQSZACIVSA-N 318.352 2.526 0 50 DFAA CC[C@@H](c1nccn1C)N1CCN([C@H](C)c2cccnc2)CC1 170602796 LOOGMONKHPXVAG-WBVHZDCISA-N 313.449 2.645 0 50 DFAA COc1ccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)cc1Cl 280238033 KHQUGZFXHNGOBZ-LRDDRELGSA-N 311.809 2.728 0 50 DFAA CC(C)c1ccc(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)cc1 585128292 YAHKYRZXOFNRNZ-AWEZNQCLSA-N 314.389 2.795 0 50 DFAA O=C(Nc1ncc2c(n1)COC2)[C@H]1C[C@@H]1c1cc(F)ccc1F 637739222 MDCAUIXAGMPOPI-PWSUYJOCSA-N 317.295 2.527 0 50 DFAA CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1occc1Br 408143353 UZRWSGFKJGDBQR-KOLCDFICSA-N 316.195 2.665 0 50 DFAA CNC(=O)c1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)c1 411243084 LCMCPLMYUOSOLV-SJORKVTESA-N 324.380 2.763 0 50 DFAA CN1[C@H]2CC[C@H]1CC(NCc1ccnc(OC3CCC3)c1)C2 225576581 SMWVBZGHVDRKKE-HOTGVXAUSA-N 301.434 2.728 0 50 DFAA NC[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CCCO1 643605433 DTHTWHDUGGCWSB-CQSZACIVSA-N 322.474 2.526 0 50 DFAA Cc1nnsc1C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 191501668 VJERMWFBPFLLEU-MNOVXSKESA-N 323.443 2.636 0 50 DFAA Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(-n2ccnc2)nc1 194728754 OJLIXCPDWLNBBI-SNVBAGLBSA-N 311.345 2.614 0 50 DFAA CO[C@H](CNC(=O)NCC1(SC)CC1)c1ccc(F)cc1 195004075 SLIVORMOQDAATJ-CYBMUJFWSA-N 312.410 2.708 0 50 DFAA O=C(Nc1cccc2cccnc12)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 197751922 KDDJXDDCBGIAAL-NZBPQXDJSA-N 308.337 2.696 0 50 DFAA C[C@H]1C[C@@H](O)CN1c1nc(-c2cccnc2)nc2ccccc12 788076467 DIMDNXCOVMWRRI-GXTWGEPZSA-N 306.369 2.651 0 50 DFAA Cc1nc(CCN[C@@H]2CCN(c3ccccc3)C2)nc2c1CCC2 1506418570 RLVRUQJCTDWXLN-MRXNPFEDSA-N 322.456 2.685 0 50 DFAA CO[C@H](C)c1nnc(NC(=O)c2ccc(CSC)o2)s1 1529189761 XTPAMWLSIDLCNG-SSDOTTSWSA-N 313.404 2.954 0 50 DFAA O=C(Cn1ccc2ccccc21)N1CCC[C@]2(CCC[C@H]2O)C1 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2.654 0 50 DFAA Cc1ccc([C@H](C)CNC(=O)Cn2nnc3ccccc32)cc1 172463659 SUXJENXGKDHVMN-CQSZACIVSA-N 308.385 2.660 0 50 DFAA Oc1nc(N[C@@H]2CC[C@H]3C[C@@H]3C2)nc2c1cnn2-c1ccccc1 645397402 IUPCEDNIPXNEED-YNEHKIRRSA-N 321.384 3.122 0 50 DFAA Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cc3ccccc3[nH]2)cn1 789740335 UYQWKVHOVNJBGV-IEBWSBKVSA-N 324.428 2.990 0 50 DFAA C[C@H]1CCCCN1CCN(C)Cc1ccc(CC(=O)O)cc1 1529185927 SXCUDPPUCWLGDT-HNNXBMFYSA-N 304.434 2.620 0 50 DFAA C[C@@H](Nc1ncc(F)c(N2CCOCC2)n1)C1=CCCCC1 1529186241 AYRXMTCNNYVQNE-GFCCVEGCSA-N 306.385 2.753 0 50 DFAA O=C(c1ccc(O)cn1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529161242 DZLVFAHJLSNXKQ-ZWKOTPCHSA-N 324.380 2.780 0 50 DFAA C[C@@H](NC(=O)CN1CCCCC1=O)c1ccc(Cl)s1 123712047 VOIXAKTWZMUKCC-SECBINFHSA-N 300.811 2.591 0 50 DFAA NC(=O)c1cc(NCC(c2ccccc2)c2ccccc2)ncn1 1639166922 BHKHTYARBNJCCF-UHFFFAOYSA-N 318.380 2.820 0 50 DFAA OC[C@]12CCOC[C@H]1CN(c1ccnc3cc(Cl)ccc13)C2 1772706880 HPVAVWLOVFXVBB-SJKOYZFVSA-N 318.804 2.723 0 50 DFAA 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309.417 2.809 0 50 DFAA C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cnn2ncccc12 331884448 CHGUDBVZICGKFT-ONGXEEELSA-N 312.295 2.532 0 50 DFAA C[C@H]1CN(C)CC[C@H]1NC(=O)C(F)(F)c1cccc(Cl)c1 239366885 AGNDTFYHYGCJKN-GXFFZTMASA-N 316.779 2.888 0 50 DFAA O=C(Nc1ccn2ccnc2c1)N1CCC(OC2CCC2)CC1 333846247 WHGJQEXUQSQRRR-UHFFFAOYSA-N 314.389 2.900 0 50 DFAA O=C(N[C@H](Cc1ccccc1)c1ccccc1F)[C@H]1CCNC1 237873383 VFNYMYPOVYRUPF-MAUKXSAKSA-N 312.388 2.835 0 50 DFAA CN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77355262 YFRPKZNUIYHQGI-UHFFFAOYSA-N 314.776 2.991 0 50 DFAA CO[C@H]1CCC[C@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 129884824 MBSCARRNJGLAHT-OLZOCXBDSA-N 301.308 2.932 0 50 DFAA CNCC(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 241961424 USLZNMFTDQIUDP-UHFFFAOYSA-N 319.405 2.908 0 50 DFAA Cc1ncsc1C(=O)NCc1ccn(Cc2ccccc2)n1 252498022 QUEAFCIUWKXMAV-UHFFFAOYSA-N 312.398 2.626 0 50 DFAA CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CCCSCC1 253432897 PMYQNVZGFFHCHU-ZIAGYGMSSA-N 300.468 2.586 0 50 DFAA Cc1ccc(-n2nccc2NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)nn1 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CCOc1ccc(NC(=S)NCCCn2nccc2C)cc1 2853197 SYLLMHNYLRUAEC-UHFFFAOYSA-N 318.446 2.967 0 50 DFAA NC(=O)c1cccc(Nc2ccccc2OCCn2ccnc2)c1 2356144370 UMSUTNOBSXJWAE-UHFFFAOYSA-N 322.368 2.805 0 50 DFAA COc1ncccc1CN1CCC[C@]2(CCc3cnc(C)nc32)C1 2356159677 MMOCPKSOZFOBOJ-IBGZPJMESA-N 324.428 2.669 0 50 DFAA CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C)ccn1 4913602 OZAZEUHKHDHKAL-UHFFFAOYSA-N 306.387 2.898 0 50 DFAA CCOC(=O)C1CCN(CCCOc2ccccc2F)CC1 6701492 LAGRZXCWLGATJQ-UHFFFAOYSA-N 309.381 2.870 0 50 DFAA CCCC(=O)Nc1cc(C(=O)NC[C@@H]2CCCO2)ccc1C 55325785 POKHULYNKBMAHD-AWEZNQCLSA-N 304.390 2.642 0 50 DFAA CC[C@]1(C)CN(Cc2nnc(Cc3ccccc3C)o2)CCO1 135713931 RFMHEBGSJXXQOV-GOSISDBHSA-N 315.417 2.970 0 50 DFAA CCn1cnnc1[C@@H]1CN(Cc2ccc([C@H]3C[C@H]3C)o2)CCO1 328639854 PRXDVJAIIVMZKY-INWMFGNUSA-N 316.405 2.588 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cccc(F)c1 21791625 XWVFYIHYBHKNIF-CQSZACIVSA-N 324.377 2.956 0 50 DFAA Cc1ccc(C(=O)Nc2ccccc2)cc1N(C)S(C)(=O)=O 65364177 RSGLIPQVWDSFGK-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1 123906770 INDMGZZZALODIY-RHSMWYFYSA-N 308.381 2.712 0 50 DFAA O[C@@H]1CCC[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)C1 604881695 MCLXYUFLDAGOBU-QWHCGFSZSA-N 310.401 2.743 0 50 DFAA COc1ccc2c(c1OC)C(=O)N(c1ccc3c(c1)CCC3)C2=O 465547 SMSASGMFLGXVDO-UHFFFAOYSA-N 323.348 2.993 0 50 DFAA O=C(c1ccc2[nH]ccc2c1)N1CCC(Cn2cccn2)CC1 126323848 AYXZMRVCGKPTCJ-UHFFFAOYSA-N 308.385 2.917 0 50 DFAA C[C@H]1CCc2onc(C(=O)Nc3ccc4c(c3)OCCO4)c2C1 2803593 OUKQJHFKHWLMDJ-JTQLQIEISA-N 314.341 2.823 0 50 DFAA CCCc1ncncc1C(=O)N(CC1CCC1)C[C@H]1CCCO1 215274095 YFEWNDMYWVTMJZ-OAHLLOKOSA-N 317.433 2.850 0 50 DFAA CC[C@@]1(O)CCN(c2ccnc3ccc(Cl)cc23)C[C@H]1O 72419900 JRKAKYBLRKHEOR-HZPDHXFCSA-N 306.793 2.600 0 50 DFAA Cc1cccc2[nH]c(CCC(=O)N3CCCC[C@H]3[C@@H](C)N)nc12 237345552 LHSDCIXEYODTBO-HIFRSBDPSA-N 314.433 2.532 0 50 DFAA O=C(O)c1ccc(-n2cc(CCCO)c(C(F)(F)F)n2)cc1 8925724 YHAXOANCHSNRJX-UHFFFAOYSA-N 314.263 2.514 0 50 DFAA Cc1ccc(NC(=O)CN[C@H](CO)c2cccc(F)c2)c(C)c1 359524282 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CCOc1ccc(NC[C@H](O)COc2ccc(OC)cc2)cc1 28403383 GYMXWZMEACBWMV-HNNXBMFYSA-N 317.385 2.946 0 50 DFAA C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1C(=O)OC(C)(C)C 425039483 MYSFDIOAQXVNRR-JQWIXIFHSA-N 310.419 2.726 0 50 DFAA Cc1cc([C@H]2CCCN2C(=O)NCCN2CCCC[C@H]2C)on1 230190286 GBTKTWPZIALKGR-HUUCEWRRSA-N 320.437 2.704 0 50 DFAA NC1(c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)CCCC1 67676651 YBVJTNJEGRXMMB-MRXNPFEDSA-N 317.364 2.643 0 50 DFAA COc1ncccc1-c1csc([C@H]2CN3CCC[C@H]3CO2)n1 252510729 ZPDOYVULOZPWNJ-SMDDNHRTSA-N 317.414 2.749 0 50 DFAA CC1(C)[C@H](N[C@@H]2CCCN(c3ccccc3)C2=O)[C@H]2CCO[C@H]21 241942395 UMFHKPSWSTVDKO-QBPKDAKJSA-N 314.429 2.585 0 50 DFAA CC[C@H](NC(=O)c1cc2cc(OC)ccc2[nH]1)c1ccnn1C 218956283 PAVJTEFIOCHARI-ZDUSSCGKSA-N 312.373 2.791 0 50 DFAA COc1cc(CC(=O)Nc2cnc(C)s2)cc(OC)c1OC 337300644 WLAIUTNDDBGBAV-UHFFFAOYSA-N 322.386 2.659 0 50 DFAA C[C@@H]1CCCC[C@@H]1OCCN1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 240756935 HVODARJXFICTGP-NRKLIOEPSA-N 308.466 2.700 0 50 DFAA 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CCCc1nc(C)c(CNC(=O)[C@H](C)Cn2cccn2)s1 534642923 ZAWPENKAENOFFB-LLVKDONJSA-N 306.435 2.553 0 50 DFAA Cc1c(NC(=O)NCCC(=O)O)cccc1OCC(F)(F)F 263490645 ONUIKTOSYMOIDN-UHFFFAOYSA-N 320.267 2.532 0 50 DFAA COCc1ccc(C(=O)N[C@H](C)c2nncn2C2CCCC2)o1 299787451 XBSFYSDDMLCSED-LLVKDONJSA-N 318.377 2.624 0 50 DFAA COc1cc(C)ccc1S(=O)(=O)N[C@H](C)c1ccc(C)nc1 824541258 FVEQOBNWCHQKJT-CYBMUJFWSA-N 320.414 2.747 0 50 DFAA C[C@H](NC1CCN(c2ccccc2Cl)CC1)c1ncnn1C 584893404 KAIRRPUTEVSWSJ-LBPRGKRZSA-N 319.840 2.788 0 50 DFAA CCCCN1CCN(Cc2ccc3cc(F)ccc3n2)CC1=O 670457998 XLKBISVFTCYBIT-UHFFFAOYSA-N 315.392 2.818 0 50 DFAA O=C(O)[C@@H](c1ccc(F)cc1Cl)N1CC[C@@H]2OCC[C@@H]2C1 1875282553 JGRAFRONUMNPFS-BIGNPOOSSA-N 313.756 2.716 0 50 DFAA CCn1cnc2c(N3CCC[C@@H]3[C@H]3CCCOC3)nccc21 1875294634 LASWQAPVRFSHLO-UONOGXRCSA-N 300.406 2.847 0 50 DFAA Cc1c(C(=O)O)cccc1C(=O)NC[C@H]1CCCc2cccnc21 1875286469 UXRDNLVZQJKFID-CQSZACIVSA-N 324.380 2.938 0 50 DFAA OCCCCCc1nc(-c2ccc(Br)o2)no1 1775992627 LXYGVODRZCSLOH-UHFFFAOYSA-N 301.140 2.797 0 50 DFAA CCc1ncsc1NC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1 275692961 FEAQIUKTMQJTPJ-WCQYABFASA-N 320.418 2.638 0 50 DFAA Cc1cc(F)c(C(=O)NCCCNCc2cccnc2)cc1F 170676285 ZNPBIYUTROXCIE-UHFFFAOYSA-N 319.355 2.578 0 50 DFAA C[C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3cccnc32)C[C@@H](C)O1 281244066 LBLBXXSLVPAXER-HLPPOEQASA-N 302.418 2.821 0 50 DFAA CC1(C)Cc2ccccc2N1Cc1cn(C[C@H]2CCOC2)nn1 585137988 GKGZQHHQGOOECZ-CQSZACIVSA-N 312.417 2.656 0 50 DFAA COCOCCCNC(=O)c1cc2cccc(C)c2nc1Cl 585135370 FQCWEUZTFNRYED-UHFFFAOYSA-N 322.792 2.937 0 50 DFAA CN(C)c1nnc(S[C@H]2CCc3ccccc3NC2=O)s1 187996544 QQYGAYCZSBZHGQ-NSHDSACASA-N 320.443 2.650 0 50 DFAA CC[C@H](C)n1ncc(NC(=O)N2CCN(C)[C@H](C)[C@H]2C)c1C 408352686 TXIIPUSESDWTGQ-YNEHKIRRSA-N 307.442 2.719 0 50 DFAA Cn1ncc2c1CCCN(Cc1cnc([C@@H]3CCCO3)s1)C2 414475163 UJKVLSSQXVKFKY-HNNXBMFYSA-N 318.446 2.677 0 50 DFAA CC(=O)c1ccccc1NC(=O)CN1CCSCC[C@H]1C 225667587 GUWPUUNFDRBWSA-GFCCVEGCSA-N 306.431 2.655 0 50 DFAA CON(CC1CCOCC1)C(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1 225775735 DTYNPUZPOGLTNZ-DZKIICNBSA-N 313.438 2.787 0 50 DFAA N[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 191328920 BRFJUQMLZAAPAF-MCIONIFRSA-N 312.335 2.759 0 50 DFAA Nc1cc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)ccn1 193341834 RJJITZSEQCKDFL-SFHVURJKSA-N 315.392 2.749 0 50 DFAA O=C(Nc1ccc2cc[nH]c2c1)N[C@H]1CCN(c2ccccn2)C1 194259476 VBMZYQDCYTYDOS-HNNXBMFYSA-N 321.384 2.963 0 50 DFAA C[C@H](COc1ccc(F)cc1)NC(=O)c1c[nH]nc1C1CC1 195579245 MPFGAADPNGPLIH-SNVBAGLBSA-N 303.337 2.624 0 50 DFAA CC(C)c1noc(C2CCN(c3ncnc4[nH]ccc34)CC2)n1 1529182602 VPHBMALOROHLCS-UHFFFAOYSA-N 312.377 2.848 0 50 DFAA CCc1cc(N[C@H](C)c2ncc(C)[nH]2)nc(N2CCCC2)n1 1704350659 COSQSHJYPQDLDD-GFCCVEGCSA-N 300.410 2.844 0 50 DFAA Cc1c(N2CC[C@H](O)[C@@H](CO)C2)nc2ccc(F)cc2c1Cl 1615548980 GDGRDDOLNIYZMN-YGRLFVJLSA-N 324.783 2.515 0 50 DFAA C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(F)cc1Br 230106280 VUHLRHFABAESIJ-OQPBUACISA-N 316.170 2.886 0 50 DFAA Cc1ccc(Cl)cc1N(C)C(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 1848442312 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2.822 0 50 DFAA COCCN1CCC[C@]2(CCCN2Cc2cccc(C)c2)C1=O 2100539823 ZTQNVTQPVPAFJM-IBGZPJMESA-N 316.445 2.598 0 50 DFAA O[C@]1(CNCc2cnc3sccn23)CCCc2ccccc21 2325777655 SLUHFDNBMGVTRJ-KRWDZBQOSA-N 313.426 2.710 0 50 DFAA CC1(C)C[C@@H](CC(N)=O)N(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 2325797182 XVZSQDHVBMHWTB-CLCXKQKWSA-N 314.429 2.683 0 50 DFAA c1ccc([C@@H](Cn2ccnc2)N[C@H]2CCc3cnoc3C2)cc1 2325801882 ZJBYMWHVVONCLU-DLBZAZTESA-N 308.385 2.760 0 50 DFAA Cc1nc(CC(=O)Nc2ccc(-n3cnc(C)c3C)cc2)co1 2325840858 UQOUEXHQWZQDSL-UHFFFAOYSA-N 310.357 2.967 0 50 DFAA O=C(N[C@H]1[C@@H]2CN(CCCc3ccccc3)C[C@@H]21)C1CCCC1 958032387 AKRXGZGPDBSNPP-BWTSREIZSA-N 312.457 2.856 0 50 DFAA Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 2872022 WSZVLLFCFICNSE-UHFFFAOYSA-N 324.380 2.720 0 50 DFAA C[C@H](SCC(=O)Nc1ccc(Br)cc1)C(=O)O 8362742 CBJPEGRDIKVMIO-ZETCQYMHSA-N 318.192 2.594 0 50 DFAA CCCOc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1 8395830 SCQWGIIDNIBLIK-UHFFFAOYSA-N 315.398 2.997 0 50 DFAA CCCc1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)no1 121225519 USUXGMCREAYTHG-SMDDNHRTSA-N 323.343 2.608 0 50 DFAA COc1cccc2c1OC[C@@H](Nc1ccc3c(c1)CC(=O)N3)C2 20542715 ABKRISSGRSGGRO-AWEZNQCLSA-N 310.353 2.605 0 50 DFAA O=C1CCCCN1c1ccc(C(=O)N2CCCc3n[nH]cc32)cc1 328591282 IJXKEVBQVINCIF-UHFFFAOYSA-N 324.384 2.520 0 50 DFAA CN(C[C@H]1CC=CCC1)S(=O)(=O)c1cncc(Cl)c1 330862741 XQDYYXGSBZVGKP-NSHDSACASA-N 300.811 2.712 0 50 DFAA COC(=O)c1ccc(NC(C)=O)cc1OC(=O)c1cccs1 1383796 FVWVVORLHHECMM-UHFFFAOYSA-N 319.338 2.712 0 50 DFAA COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1399934 VQUJUCUUGFLFMS-UHFFFAOYSA-N 314.728 2.826 0 50 DFAA Cc1cc(N2CCN(C)CC2)n2nc(-c3ccccc3)c(C)c2n1 35476310 LVXRRVQTWVNCKK-UHFFFAOYSA-N 321.428 2.765 0 50 DFAA COc1cccc(OC)c1OCCN[C@H]1COC2(CCCC2)C1 65464183 PBXLJQXJXMTIKQ-CQSZACIVSA-N 321.417 2.774 0 50 DFAA COC[C@@H]1C[C@H](OC)CN1c1ccnc2cc(F)c(OC)cc12 284472756 FZXYBWKIDIUCSW-RYUDHWBXSA-N 320.364 2.623 0 50 DFAA Cc1nnc(CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1C 252498474 RCUWLUALCWSYPT-VIFPVBQESA-N 314.311 2.873 0 50 DFAA O=C(Nc1ccc2ncccc2c1)[C@@H]1CC(c2cccnc2)=NO1 252478942 AXSFDDZMHDHINZ-KRWDZBQOSA-N 318.336 2.762 0 50 DFAA CN(Cc1ccccc1OC1CCCC1)C[C@H]1COCCO1 216428883 AKWOWFLGOPQVIP-KRWDZBQOSA-N 305.418 2.855 0 50 DFAA CCOC(=O)c1cc(-c2cccnc2)nn1-c1nc(C)cc(C)n1 253417645 RDJGIWYZERFAID-UHFFFAOYSA-N 323.356 2.518 0 50 DFAA O[C@H](CN1C[C@H]2CCCC[C@@]21c1ccccc1)Cn1cccn1 252517948 VOUDWAYQPHTEOV-GUDVDZBRSA-N 311.429 2.645 0 50 DFAA CCc1nnsc1C(=O)N(C)CCn1ccc2ccccc21 71761076 UUDMQPPSGDSNTP-UHFFFAOYSA-N 314.414 2.827 0 50 DFAA CN(C(=O)c1ccc2nn[nH]c2n1)[C@H]1CCC[C@H]1C(C)(C)C 333176850 OVWINAKPUBUMFD-MFKMUULPSA-N 301.394 2.640 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[C@@H](N)C1 215979615 ZBNUEVXGENDSNK-CMPLNLGQSA-N 300.324 2.791 0 50 DFAA CN1CCC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1cccs1 129720432 VHNIEWPOCZHXNQ-SMDDNHRTSA-N 305.403 2.549 0 50 DFAA Cc1ccc([C@H]2CCN(S(=O)(=O)c3ccccn3)C2)c(C)c1 359934375 MSFOSJYPTFJZJP-HNNXBMFYSA-N 316.426 2.877 0 50 DFAA Cc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)on1 370266591 ADYDGLAHSBNGPA-GFCCVEGCSA-N 310.357 2.968 0 50 DFAA O=C(c1cccnc1)N1CC[C@@H](NCc2cccc3[nH]ccc23)C1 370522150 KGLRRCCUZYCSAR-MRXNPFEDSA-N 320.396 2.567 0 50 DFAA CCc1onc(C)c1NC(=O)Nc1ccc2c(c1)OCC(=O)N2 157405410 NEQCDIANPHHZNO-UHFFFAOYSA-N 316.317 2.520 0 50 DFAA C[C@H]1C[C@@H](Nc2ncnc3[nH]ccc23)C(=O)N1c1ccccc1 374161073 USSHECSUMMKTQE-SMDDNHRTSA-N 307.357 2.564 0 50 DFAA C[C@H]1CN(C(=O)c2cc(O)nc3ccccc23)c2cccnc2O1 158663284 DFCZYAYLEHVBTR-NSHDSACASA-N 321.336 2.763 0 50 DFAA C[C@H](CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)C1CCNCC1 262601891 AHLBCSDWQTYWEN-SJJFVQKZSA-N 304.478 2.953 0 50 DFAA Fc1ccc(CC[C@@H]2CCCN(CCn3cncn3)C2)cc1 72145363 JFBBSCQRZAKYPG-INIZCTEOSA-N 302.397 2.762 0 50 DFAA CC(C)c1nnsc1CN1CCC[C@@H](c2nccn2C)C1 82120328 IBFAKYLDWLRXFD-GFCCVEGCSA-N 305.451 2.775 0 50 DFAA C[C@H](CCC(=O)NCCOc1ccccc1F)N1CCCC1 426581070 ZCAGNFZINDHVRH-CQSZACIVSA-N 308.397 2.585 0 50 DFAA C[C@@H]1CN(C(=O)[C@@H](O)c2ccccc2)C[C@@H](c2ccccc2)O1 161601549 NHJUZFSUSHQRSR-JLSDUUJJSA-N 311.381 2.709 0 50 DFAA CCn1nc(C)nc1-c1ccc([C@H](C)N2CCOCC2)cc1 426538101 NHPPGESBPWYVCF-ZDUSSCGKSA-N 300.406 2.667 0 50 DFAA Cc1nc(-c2ccc(Cn3cc(-c4nccs4)nn3)cc2)no1 95372299 OZFAVEADVMTZMY-UHFFFAOYSA-N 324.369 2.808 0 50 DFAA Cc1nccn1CC1(CNC(=O)Nc2cccc3cn[nH]c23)CC1 97772993 KHXKSLMMKHAEHH-UHFFFAOYSA-N 324.388 2.670 0 50 DFAA CCc1ccc(CN(C)C(=O)NCC[C@@H]2CCCCO2)nc1 426404402 VKNZMTCBLDQBMI-INIZCTEOSA-N 305.422 2.745 0 50 DFAA COC(=O)[C@@H](CC(C)(C)C)Sc1nnc(N(C)C)s1 180994347 DISBJNVRVXWREQ-MRVPVSSYSA-N 303.453 2.674 0 50 DFAA COCC1(C(=O)N(C)[C@@H](C)Cc2ccccc2OC)CCC1 97679710 NCHWBZYZBWHFCD-AWEZNQCLSA-N 305.418 2.901 0 50 DFAA COCC[C@]1(C(=O)O)CCCN(Cc2cc(C)ccc2F)C1 91943670 PPRUWSMYVFAREK-QGZVFWFLSA-N 309.381 2.837 0 50 DFAA Cc1nc(-c2cccc(NC(=O)C[C@@H](N)c3ccccc3)c2)n[nH]1 237820059 GWSJLGAHRDCUCM-MRXNPFEDSA-N 321.384 2.809 0 50 DFAA Cc1nn(C)c(C)c1CN(C)[C@@H](C(=O)O)c1ccc(F)cc1F 95371876 MBHYGYDQJMSIHW-OAHLLOKOSA-N 323.343 2.573 0 50 DFAA Cc1ccc(N2CCCN(c3ncccc3Cl)CC2)nn1 241776809 RSUYFKFBEDZIOW-UHFFFAOYSA-N 303.797 2.550 0 50 DFAA CC(C)c1nc(C(=O)N(C)CCCc2nccn2C)cs1 243893537 ARTCANZNRSCGCJ-UHFFFAOYSA-N 306.435 2.705 0 50 DFAA CN(c1nc(O)c2cn[nH]c2n1)[C@H]1CCC[C@@H]1c1ccccc1 298892698 MHSXHDOKWIMVHQ-OCCSQVGLSA-N 309.373 2.831 0 50 DFAA COC(=O)[C@@H](NC(=O)c1ccc(C)o1)c1ccc(F)c(C)c1 183810578 CTXDLJGHTRBUIT-AWEZNQCLSA-N 305.305 2.680 0 50 DFAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C)s2)cn1 299745612 RJZJHBLEAKTONL-SWLSCSKDSA-N 318.398 2.720 0 50 DFAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)C[C@H](C)C(=O)O)cc1 299746861 BKSKQQFOPPLAIY-BPUTZDHNSA-N 319.401 2.642 0 50 DFAA O=C(O)[C@H]1CCCCN1C1CCN(c2ccccc2F)CC1 534659582 ICLPQPZOOQSFKI-MRXNPFEDSA-N 306.381 2.734 0 50 DFAA c1cnn(CCN(Cc2ccsc2)[C@@H]2CC23CCNCC3)c1 262024266 ZIESKBSNTUVSPH-MRXNPFEDSA-N 316.474 2.589 0 50 DFAA CCc1nccn1CCC(=O)NCc1ccc2ccccc2n1 823557409 PRXFHTBUSAFYKZ-UHFFFAOYSA-N 308.385 2.700 0 50 DFAA CCCO[C@@H](C)CNC(=O)N1CCC(Cc2cccnc2)CC1 584896532 KXWMSVKBZLEWMI-HNNXBMFYSA-N 319.449 2.861 0 50 DFAA C[C@H](NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)c1nccc2ccccc12 1875279670 ZCQGFYUEVFJFSN-JDFRZJQESA-N 323.400 2.781 0 50 DFAA CC(C)(C)c1coc(CN2CCC(F)(F)[C@H](C(=O)O)C2)n1 1875270469 DALBOQJZZRAFON-VIFPVBQESA-N 302.321 2.514 0 50 DFAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2)cn1 952983089 SNYOKXXGYRMVTO-CYBMUJFWSA-N 313.357 2.573 0 50 DFAA CC1(C)C[C@@H](NC(=O)[C@H]2CCN(Cc3ccccc3)C2)CCO1 408517278 FLQVFENROQCGGN-IRXDYDNUSA-N 316.445 2.582 0 50 DFAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ncc(C)c(OC)c1C 277556470 UZCALVCBGKWXKH-ZBFHGGJFSA-N 320.433 2.871 0 50 DFAA CNC(=O)c1ccc(NC(=O)CSc2ccoc2C)cc1 170599553 XMBAJXJNOFZTLR-UHFFFAOYSA-N 304.371 2.678 0 50 DFAA C[C@@H](N)[C@H]1CCCN(C(=O)c2csc(Br)c2)C1 226265652 VERYGOMCBPDUSG-BDAKNGLRSA-N 317.252 2.710 0 50 DFAA CC(C)n1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1 280727946 KFPNYTAJRNCTIN-OLZOCXBDSA-N 308.426 2.725 0 50 DFAA COCc1nc(OC)cc(N2CC(C)(C)[C@H]2c2cccnc2)n1 644131884 ADDBSLUMEBSRSH-MRXNPFEDSA-N 314.389 2.614 0 50 DFAA Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCc4cccc(O)c43)cc12 644870897 AJBXHZZPXZPUQF-CYBMUJFWSA-N 322.368 2.651 0 50 DFAA COc1ccc(N(C(=O)Cc2cnn(C)c2)[C@@H](C)C2CC2)cc1 195345906 ALTOBMBXJGMWRL-ZDUSSCGKSA-N 313.401 2.803 0 50 DFAA Cn1cc(CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cn1 195483222 LCKJAMUKHLVHRZ-UHFFFAOYSA-N 321.340 2.738 0 50 DFAA C[C@@]1(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CCCCN1 655501190 RUCQMJICFFYUCA-INIZCTEOSA-N 318.808 2.996 0 50 DFAA CCOC1CC2(CCN(C(=O)CCN(C)c3ccccc3)C2)C1 585082618 RKQQECWEAYRCTA-UHFFFAOYSA-N 316.445 2.931 0 50 DFAA CSCCN1CCC(N[C@@H]2CCN(c3ccccc3)C2)CC1 1506400278 BKPFZSIHWLJPDW-QGZVFWFLSA-N 319.518 2.682 0 50 DFAA Cc1ccc(CCC(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cc1 1529105179 XTKJACSKCSBKJR-USTZCAOPSA-N 301.430 2.936 0 50 DFAA CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)CN(C)C)cc1OCC 1615587294 XFMGZZCNIWQMTM-UONOGXRCSA-N 322.449 2.859 0 50 DFAA O=C(O)[C@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1C1CC1 1616104056 QLKNZPSDFFEIFG-ZJUUUORDSA-N 311.740 2.662 0 50 DFAA CCC(CC)n1nc(NC(=O)[C@@]2(C(C)C)CNC(=O)C2)cc1C 1614997950 BECRMDKOYYDCJJ-QGZVFWFLSA-N 320.437 2.653 0 50 DFAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 19809336 LARAKFMBWMOFSN-SNVBAGLBSA-N 318.760 2.845 0 50 DFAA COc1ccc(C2(NC(=O)[C@H]3CCN(C)C3)CCCC2)cc1 602531410 NROIDCJWDRTBTB-AWEZNQCLSA-N 302.418 2.532 0 50 DFAA CN(Cc1cscn1)C(=O)NC1CC(C)(C)NC(C)(C)C1 147134203 BQKSZQQVMJSJHI-UHFFFAOYSA-N 310.467 2.594 0 50 DFAA O=C1C[C@@H](c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)CN1 1875246933 HRYYFWCVXZASOO-MRXNPFEDSA-N 322.412 2.737 0 50 DFAA O=C(c1ccc(CO)cc1)N(Cc1ccco1)C[C@H]1CCCO1 615007563 DOIGTZSJSMBLBH-QGZVFWFLSA-N 315.369 2.593 0 50 DFAA CCc1ccsc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 111239986 LYCGYFUYOSNCOQ-LBPRGKRZSA-N 321.320 2.790 0 50 DFAA Cc1ccc2ncnc(N3CCO[C@@H](COC(C)C)C3)c2c1 364214682 IJIUACBCSFKAKY-CQSZACIVSA-N 301.390 2.568 0 50 DFAA CCc1cnc(CCNC(=O)c2cccc3c2OCC3)s1 933698227 BAIHKOJGGUBSOZ-UHFFFAOYSA-N 302.399 2.613 0 50 DFAA FC(F)(F)c1cc(I)c2nccn2c1 22995852 HGFIGHYABOIOEP-UHFFFAOYSA-N 312.032 2.958 0 50 DFAA CC[C@](C)(N)c1cn(Cc2[nH]nc(-c3ccccc3)c2C)nn1 2325787564 HPZYQOCYCZQMAO-KRWDZBQOSA-N 310.405 2.609 0 50 DFAA COC(=O)[C@@H](C)[C@@H](C)NC(=O)C1(c2cc(C)cc(C)c2)CC1 2325792828 OYEDJORFXVVXPV-UONOGXRCSA-N 303.402 2.649 0 50 DFAA CC[C@H]1[C@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 214500452 RLAKWLFUMAABBE-JGAQIPAXSA-N 324.424 2.911 0 50 DFAA biogenic COc1ccc(OC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 129856 RMYSGGBJOJXDCH-NEPJUHHUSA-N 307.346 2.533 0 50 DFAA C[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 218408 CKKPPFUEFHEQGU-QMMMGPOBSA-N 304.371 2.817 0 50 DFAA CCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1 287228 GOZPRTKFIKWQRY-UHFFFAOYSA-N 311.769 2.646 0 50 DFAA CCOC(=O)c1sc(C)c2c(=O)n(C3CCCCC3)nnc12 478658 PNYWECOOWCXIFT-UHFFFAOYSA-N 321.402 2.843 0 50 DFAA COc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 4838409 DCRZCKRGISNKFF-UHFFFAOYSA-N 309.325 2.675 0 50 DFAA O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)[C@H]1CCCO1 4997841 KVUCOUVPFWSUGP-LLVKDONJSA-N 323.805 2.900 0 50 DFAA CCCN(Cc1cccc(Cl)c1)C(=O)CCCNC(C)=O 55182580 DLRBTHIKOWKZEB-UHFFFAOYSA-N 310.825 2.995 0 50 DFAA COc1cc(NCCc2csc(-c3ccncc3)n2)ncn1 65428390 NADIRAVSZWXDAE-UHFFFAOYSA-N 313.386 2.658 0 50 DFAA CC1CCN(CCCNC(=O)[C@H](C)Oc2ccccc2)CC1 61553458 GHDWXFVHHIZAMO-INIZCTEOSA-N 304.434 2.692 0 50 DFAA CC(C)CNc1nccc(Nc2ccc(O)c(C(=O)O)c2)n1 170621821 BISNXFKPHWATNU-UHFFFAOYSA-N 302.334 2.692 0 50 DFAA O=C(O)c1cccnc1CN1CCC[C@H](C(=O)c2ccccc2)C1 65459391 LUWOJRVCLXZMMY-HNNXBMFYSA-N 324.380 2.875 0 50 DFAA C[C@H]1CCc2n[nH]c(C(=O)N(C)C3Cc4ccccc4C3)c2C1 67974253 VELVUDSUJXKSGM-LBPRGKRZSA-N 309.413 2.774 0 50 DFAA Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1 67601838 RFRIVNWFUBLCBG-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA CC(=O)OC[C@H]1O[C@H](Sc2ccccc2)C=C[C@@H]1OC(C)=O 38296590 CPPQXIRWLOCYDE-ARFHVFGLSA-N 322.382 2.555 0 50 DFAA CN(C)C(C)(C)CNC(=O)CCSCc1ccc(F)cc1 65380565 PMADGKMEXBCJOX-UHFFFAOYSA-N 312.454 2.905 0 50 DFAA CN(CCC1(O)CCCC1)C(=O)[C@H](c1ccccc1F)N(C)C 219818816 GPEWEUITHWTEKF-INIZCTEOSA-N 322.424 2.582 0 50 DFAA c1cc2nccc(N3CC[C@H](c4nc(C5CC5)no4)C3)c2cn1 333401215 FSMODSNOACMBKW-LBPRGKRZSA-N 307.357 2.884 0 50 DFAA COc1cccc([C@H]2CCCCN2C(=O)N2CCOCC2)c1 72161052 XRVVVZHXYBKZGW-MRXNPFEDSA-N 304.390 2.674 0 50 DFAA COc1nn(C)cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 354716969 UXXUKQJQAQISKP-AWEZNQCLSA-N 314.389 2.525 0 50 DFAA Cc1cc(C=C2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)no1 366861248 CFWCJTAINYUMOK-QGZVFWFLSA-N 304.390 2.540 0 50 DFAA Cc1nnsc1COC(=O)c1cnc2ccc(F)cc2c1 239352326 ABRYSDGZXSBKBS-UHFFFAOYSA-N 303.318 2.891 0 50 DFAA Cc1nc(-c2ccccc2)c(C(=O)N[C@H](C)CC(=O)O)s1 263082063 LPJLWMGAXRUIKB-SECBINFHSA-N 304.371 2.712 0 50 DFAA Cc1nn(CCCNC(=O)c2cnn(C(C)C)c2)c(C)c1Cl 77470114 VTMFKAUPKGDPPB-UHFFFAOYSA-N 323.828 2.751 0 50 DFAA CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)[C@@H]1CCO[C@H]1C 241287521 LMDQXASSEABJNJ-CFZSEITHSA-N 323.458 2.522 0 50 DFAA Cc1ccc(-c2cccc(CN3CCC[C@](O)(CO)CC3)c2)o1 72127253 IDHKUKMSSOGSJF-LJQANCHMSA-N 315.413 2.964 0 50 DFAA CCNC(=O)c1cccnc1N(C)CCn1ccc2ccccc21 32551025 WTUKPECTSBPPKR-UHFFFAOYSA-N 322.412 2.922 0 50 DFAA FC(F)c1nnc(N2CC[C@]3(CCc4ccccc4O3)C2)o1 366586071 SULNANZEQQTOJC-OAHLLOKOSA-N 307.300 2.981 0 50 DFAA CCCn1ccnc1CN1CCC[C@H](OCc2ccccn2)C1 72157822 OIAQQBNXZOPFPL-KRWDZBQOSA-N 314.433 2.869 0 50 DFAA O=C(c1ccc2oc(O)nc2c1)N1CC[C@H](O)c2ccccc2C1 376989036 SLINASBGNVNXFU-HNNXBMFYSA-N 324.336 2.613 0 50 DFAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCc3ccccc32)s1 262723962 GNGQVJZUZWXSEY-NSHDSACASA-N 301.367 2.906 0 50 DFAA CN(C)C1(C(=O)N[C@H]2CCc3ccccc32)Cc2ccccc2C1 14948864 HQQLLXIHWLHNEP-IBGZPJMESA-N 320.436 2.889 0 50 DFAA Cc1nccn1C[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 82135387 DGRXICITOGPLND-GFCCVEGCSA-N 303.328 2.773 0 50 DFAA Cc1ccnc(SCC(=O)NCCc2ccc(C)s2)n1 223431255 SITNDPMFAXHFDE-UHFFFAOYSA-N 307.444 2.606 0 50 DFAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1C[C@H]1c1cccc(F)c1 239527601 ATJXVNFIKPWFGK-XLAORIBOSA-N 311.356 2.704 0 50 DFAA Cc1nn(C)c2nc(N3CCCC[C@@H]3CN3CCCC3)sc12 95497373 GCTMFDOJCGPDOS-CYBMUJFWSA-N 319.478 2.793 0 50 DFAA 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0 50 DFAA CO[C@@H](C(=O)Nc1cnn(C)c1)c1ccccc1C(F)(F)F 930121607 QAXKYLCGWBBPQA-GFCCVEGCSA-N 313.279 2.765 0 50 DFAA C[C@@H](Oc1ccc(/C=C/c2nc(C(=O)O)cs2)cc1)C(=O)O 2325718688 JDKYWWGSYDKBIM-ILFKPUCNSA-N 319.338 2.864 0 50 DFAA Cc1ccc(OCCCC(=O)NC[C@@H]2CCC[C@H](N)C2)cc1 2325769108 IBZDTYLQMBAUHM-CVEARBPZSA-N 304.434 2.788 0 50 DFAA CCc1cnc([C@@H](C)NC(=O)[C@@H]2CCCc3c2ncn3C)s1 2325779642 UURHQRVVFJGYKE-ZYHUDNBSSA-N 318.446 2.736 0 50 DFAA COCCc1nc(C[C@@H]2CC[C@H]2OC)n(-c2ccc(F)cc2)n1 2325849461 PXPVJCMIVAQWPK-SWLSCSKDSA-N 319.380 2.563 0 50 DFAA CCc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 96969 UTTWGORJKNKBKL-UHFFFAOYSA-N 322.364 2.874 0 50 DFAA COc1ccc(-c2nc(N)n(C(=O)CCc3ccccc3)n2)cc1 205345 GXNCXWBRDXGZRU-UHFFFAOYSA-N 322.368 2.809 0 50 DFAA CCc1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 219867 LXNUIWXGUJLQCS-INIZCTEOSA-N 314.429 2.656 0 50 DFAA COc1cccc(C(=O)N2CCN(C[C@H]3CC=CCC3)CC2)c1 239105 NZNFYXQSFOMUGX-INIZCTEOSA-N 314.429 2.809 0 50 DFAA CC(C)(C)c1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1 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299802515 YDIFMNPKNFCUPU-UHFFFAOYSA-N 315.417 2.862 0 50 DFAA O=C(NCCOc1ccccc1F)c1onc2c1CCCC2 665251320 MUIRCYCLPHEURG-UHFFFAOYSA-N 304.321 2.501 0 50 DFAA COc1ccnc(C(=O)N[C@H]2CCCc3cc(OC)ccc32)c1 584899616 YZQYGLKEPYHVMM-INIZCTEOSA-N 312.369 2.906 0 50 DFAA CSCc1nc(CCNC(=O)c2ncccc2C)cs1 584900946 OFUSIIWWLNIOME-UHFFFAOYSA-N 307.444 2.682 0 50 DFAA Nc1nc(CCCNC(=O)[C@H]2CCc3ccccc32)cs1 670449831 VZASLCHRLGGGKY-AWEZNQCLSA-N 301.415 2.504 0 50 DFAA C/C(=C\c1ccco1)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 1875275286 PCCJITZSXPVTEX-LSHVTDEISA-N 310.397 2.964 0 50 DFAA Cc1cc2occ(C(=O)N[C@H](C)C3(C)OCCO3)c2cc1C 1875278575 LTELCKJBEQGVHI-GFCCVEGCSA-N 303.358 2.931 0 50 DFAA Cn1nccc1[C@@H](O)C1CCN(c2c(F)cncc2Cl)CC1 1875287007 RDOMRYDMSJZHJL-HNNXBMFYSA-N 324.787 2.558 0 50 DFAA Cc1n[nH]cc1-c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C 1875308055 QXSKDXRKYFRWIJ-JKOKRWQUSA-N 300.410 2.529 0 50 DFAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CC[C@H]2C[C@@]21C(=O)O 1875310817 DFPBVENYQHBAPR-FABXCBLPSA-N 319.405 2.536 0 50 DFAA O=C(Nc1ccc(N2CCCC2)c2ncccc12)[C@H]1CCCCN1 952991078 ZSLLCDMIAXJTRB-MRXNPFEDSA-N 324.428 2.916 0 50 DFAA CCn1ccc2ccc(CNCCN3CCCC[C@H]3CO)cc21 952986569 JJRIGIYNHSAVNK-SFHVURJKSA-N 315.461 2.598 0 50 DFAA CN1CCC[C@@H](CCc2nc(COc3cccc(F)c3)n[nH]2)C1 952872847 FEEOBQSARSSUGI-ZDUSSCGKSA-N 318.396 2.797 0 50 DFAA CCCC[C@H](c1cccnc1)N(C)C(=O)CCN1CCCC1=O 952972517 SRGCZDMAYQAXSB-MRXNPFEDSA-N 317.433 2.784 0 50 DFAA c1ccc(-c2ncnc(N[C@@H]3CCCN4CCCC[C@@H]34)n2)cc1 884549055 ZIWJRTOBJXOHOZ-CVEARBPZSA-N 309.417 2.967 0 50 DFAA C[C@@]1(C2CC2)COCCN1C(=O)c1sc2ncccc2c1N 890590775 RYYAHXAFSCAEPV-INIZCTEOSA-N 317.414 2.520 0 50 DFAA C[C@H]1CN(CCOc2ccccc2Br)C[C@H](C)O1 20167485 CDNZJYMKOWBWRX-RYUDHWBXSA-N 314.223 2.937 0 50 DFAA C[C@H](O)CSc1nnc(-c2ccc(Br)cc2)o1 170091665 RQIMFIYLIRWMAR-ZETCQYMHSA-N 315.192 2.972 0 50 DFAA COc1nnc(NC(=O)N(C)Cc2cccc(Cl)c2)s1 170609628 BTYXWVQDAZXOTL-UHFFFAOYSA-N 312.782 2.864 0 50 DFAA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)CCc1ncc[nH]1 279428350 MDABFLIKFVNBAJ-HNNXBMFYSA-N 313.401 2.721 0 50 DFAA C[C@@H](CNC(=O)N1CCn2cccc2[C@H]1C)c1nccs1 187042741 SENSSVWZHIXPIY-NWDGAFQWSA-N 304.419 2.835 0 50 DFAA CCOc1ccc(NS(=O)(=O)C[C@@H](OC)C(C)C)c(C)c1 585089176 ZFTKJFBVMAKBKL-OAHLLOKOSA-N 315.435 2.806 0 50 DFAA CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1(C)C 221815257 YQIUSCJTMYIHRY-PBFPGSCMSA-N 320.437 2.502 0 50 DFAA CCc1noc(C)c1CN1CCC[C@@H]1c1ccc(N(C)C)nn1 643730152 OZUWFUMWSCHCRX-MRXNPFEDSA-N 315.421 2.739 0 50 DFAA COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc[nH]n1 191814508 UUJSBSAZSMZGFO-VIFPVBQESA-N 309.753 2.729 0 50 DFAA Cc1nc(O)cc(CN(C)CCOc2cccc(Cl)c2)n1 1529161418 IRIVWRDHTHKULZ-UHFFFAOYSA-N 307.781 2.655 0 50 DFAA Cc1cnc(CN=c2[nH]c(C(C)C)nc(C)c2Br)[nH]1 1857531754 BRPHQOXYSXKMNO-UHFFFAOYSA-N 324.226 2.736 0 50 DFAA O=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)N1 859038 IDZFYCGGOJQDOB-OQLLNIDSSA-N 312.300 2.585 0 50 DFAA O=C(N[C@H](CC1CC1)C(=O)O)c1ccc(-c2ccccc2)nc1 1616029947 UGGYYXZDYYESJG-MRXNPFEDSA-N 310.353 2.732 0 50 DFAA COc1ccc(OC)c(NC(=O)C(=S)NC2CCCCC2)c1 13518665 CHKQHKZROSIDHS-UHFFFAOYSA-N 322.430 2.892 0 50 DFAA Cc1ccc2[nH]c(C)c(CN3C[C@@H](C)O[C@H](C)C3)c(=O)c2c1 19791631 GNGNHFVANSURRE-CHWSQXEVSA-N 300.402 2.754 0 50 DFAA CCOc1cccc(CC(=O)N[C@@H](C)CNc2ccccc2)n1 225791415 IVJDCRMZHVEUBN-AWEZNQCLSA-N 313.401 2.640 0 50 DFAA O=C(O)[C@H]1CCCN1Cc1cn2cc(Cl)cc(Cl)c2n1 238101602 NUIKWNXCTSLTPN-LLVKDONJSA-N 314.172 2.690 0 50 DFAA Oc1cncc(-c2nc(-c3ccc(Br)o3)no2)c1 252498211 QWVPOPJVRQPYLB-UHFFFAOYSA-N 308.091 2.860 0 50 DFAA Cc1cnc(COc2ccc([C@](C)(O)[C@H]3CCCN3C)cc2)o1 818025031 XWLARUMCIYGLQB-AEFFLSMTSA-N 316.401 2.864 0 50 DFAA CCc1ccc([C@@H](NC[C@@H]2CCCNC2=O)c2cccnc2)cc1 926574232 ATSSLMWIVXVMIW-RBUKOAKNSA-N 323.440 2.849 0 50 DFAA Cn1cc(C(=O)C(=O)NCCc2ccccc2)c2ccccc21 4694112 RSJQJMVLQDBNDP-UHFFFAOYSA-N 306.365 2.720 0 50 DFAA Cc1[nH]c2ncnc(NC(=O)Cc3ccc4c(c3)COC4)c2c1C 2325734266 PQHVCVCMMGZBCV-UHFFFAOYSA-N 322.368 2.786 0 50 DFAA C[C@@]1(CC(=O)NCc2ccccc2Cn2cccn2)CCCO1 2325776274 IZLCXYULPAQWJJ-SFHVURJKSA-N 313.401 2.507 0 50 DFAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CC4(CCC4)CN3)cc2)c1C 2325795633 QPGXSQHXDPDECC-KRWDZBQOSA-N 324.428 2.960 0 50 DFAA COc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1 175248 SHHQLIYDKDDEHW-UHFFFAOYSA-N 309.321 2.732 0 50 DFAA biogenic O=C(O)c1cccc(NC(=O)c2ccc(Br)o2)c1 361924 OXDUZAIVEZOUEC-UHFFFAOYSA-N 310.103 2.993 0 50 DFAA CN1CCC[C@@]2(CCCN2C(=O)c2ccc(Cl)cc2F)C1=O 2356135430 DUJVEHHNYZXVQH-MRXNPFEDSA-N 324.783 2.706 0 50 DFAA Cn1cnnc1SCC(=O)Nc1ccccc1C(F)(F)F 3166099 IJSBUJUUBWLMMJ-UHFFFAOYSA-N 316.308 2.565 0 50 DFAA C[C@@H]1CCC[C@@H](CCNS(=O)(=O)N2CCC[C@@H](C)C2)C1 230273602 DAQBTIWRILAGPG-KFWWJZLASA-N 302.484 2.769 0 50 DFAA O=C(Nc1cccc(-c2ncc[nH]2)c1)c1[nH]nc2c1CCCC2 134814496 KPRLUYCTQQFVOW-UHFFFAOYSA-N 307.357 2.931 0 50 DFAA COCCCN1CC[C@@H](CNc2nc(C)nc3sccc23)C1 55392819 UNULQOWQTRMJQZ-ZDUSSCGKSA-N 320.462 2.770 0 50 DFAA Cn1ccnc1C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 248011135 LGTONLNAIJMEJW-VGWMRTNUSA-N 301.434 2.637 0 50 DFAA O=S(=O)(C1CC1)N1CCC(c2c(F)cccc2F)CC1 328588534 HUDABVOWGLSBAV-UHFFFAOYSA-N 301.358 2.636 0 50 DFAA CCN1CC[C@@H](N(C)C(=O)Nc2cccc(OC)c2)[C@@H](C)C1 229845384 YGTVFYBRTJFYAM-XJKSGUPXSA-N 305.422 2.889 0 50 DFAA c1ccc(CO[C@@H]2CCOC[C@H]2NC2Cc3ccccc3C2)nc1 219926532 LMPVXMSEIIPJQH-WOJBJXKFSA-N 324.424 2.513 0 50 DFAA CCc1nnc(CN(C[C@@H]2CCCO2)C2CCC(C)CC2)n1C 173864331 VQHXWMGWOWKXKP-GPANFISMSA-N 320.481 2.937 0 50 DFAA C[C@H](c1ccccn1)N(C(=O)[C@H]1C[C@H]1c1cnn(C)c1)C1CC1 252517403 HQZCPGKPBNZORT-KCXAZCMYSA-N 310.401 2.671 0 50 DFAA Cc1noc(C)c1CNC(=O)N[C@@H](CC(C)C)CN1CCCC1 454379939 OIEXHYLHMUWDAW-HNNXBMFYSA-N 322.453 2.601 0 50 DFAA Cc1cc(C(=O)N2CCn3cccc3[C@@H]2C)c2c(C)noc2n1 30262047 JDMDOGALIILEMH-LBPRGKRZSA-N 310.357 2.858 0 50 DFAA Cc1cc(Cl)ccc1C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 253392479 BZAMNSZFUQYTOL-UYRXBGFRSA-N 300.749 2.556 0 50 DFAA O=C(NC1CCCC1)NC1CCN(Cc2ccccc2)CC1 13328268 YDPZGPFFGGZBPN-UHFFFAOYSA-N 301.434 2.893 0 50 DFAA CC1(C)C[C@H](CN2CCCN(Cc3cccnc3)CC2)CCO1 216358483 NENGTLGFNJLDKY-QGZVFWFLSA-N 317.477 2.795 0 50 DFAA Cc1cscc1CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 365569192 WZOZIVMRFUSOHL-ZENOOKHLSA-N 324.446 2.534 0 50 DFAA COC(=O)c1cc(-c2ccco2)nc2c3c(C)cc(C)nc3nn12 13645388 WJYAYNSPHJVCJQ-UHFFFAOYSA-N 322.324 2.941 0 50 DFAA Cc1cc(C)cc([C@H](NC(=O)c2scnc2C)C(=O)O)c1 263128583 SQVBUNJZYVWVQC-LBPRGKRZSA-N 304.371 2.624 0 50 DFAA CC1(C)C[C@]1(C(=O)NCCc1csc(N)n1)c1cccs1 219004653 OIKJHQKRDBCRRV-OAHLLOKOSA-N 321.471 2.813 0 50 DFAA O=C(Cc1ccc(F)cc1Cl)N1CCC[C@]2(CCNC2)C1 219244930 NZCQWXYWLAWMFF-MRXNPFEDSA-N 310.800 2.624 0 50 DFAA O=C(O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2F)n1 262721970 WGHXRCURZXWVRP-LBPRGKRZSA-N 320.345 2.638 0 50 DFAA O=C(O)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1c1ccccc1 262974959 TUHYTNJVPVQTAK-HUUCEWRRSA-N 315.394 2.617 0 50 DFAA O=C(NCCCNc1cccnc1)[C@@H]1CCc2ccccc2C1 222532807 FUSFXGPALNYECC-QGZVFWFLSA-N 309.413 2.805 0 50 DFAA C[C@H](CNC(=O)N1CCN(c2cccnc2)CC1)c1ccccc1 426526435 PFVHAQAWYFMTBO-MRXNPFEDSA-N 324.428 2.717 0 50 DFAA COc1cc(Cl)c(Cl)cc1C(=O)N1CCC[C@H](N)C1 178327422 DONNARGCAXBXFY-QMMMGPOBSA-N 303.189 2.565 0 50 DFAA O=C(c1ccncc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 82087440 FCUZKTFATGUXOP-MRXNPFEDSA-N 310.401 2.708 0 50 DFAA Cc1cccc2c(CCNC(=O)C3(Cn4ccnc4)CC3)c[nH]c12 426399386 JTUJNYWSASPGBH-UHFFFAOYSA-N 322.412 2.812 0 50 DFAA CNC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 178999590 QGHXHWQWIJZCSD-NSHDSACASA-N 319.405 2.631 0 50 DFAA O=C(c1ccc(O)nc1)N1C[C@H]2CCCCN2c2ccccc21 293965751 BCBJNWFYEJPPGN-CQSZACIVSA-N 309.369 2.807 0 50 DFAA CC(C)CN(CCC(=O)O)C(=O)CCC(=O)c1cccs1 192854315 OPOHMVQCNFPFLY-UHFFFAOYSA-N 311.403 2.670 0 50 DFAA CC(C)C[C@@H](CC(=O)O)NC(=O)CCc1ccc(F)c(F)c1 222877232 KPBAQMGYPHRQHI-LBPRGKRZSA-N 313.344 2.903 0 50 DFAA CCN1CC(=O)N(c2cccc(OC)c2)C[C@H]1Cc1ccccc1 82137391 KNLRNOFKRJWEEL-GOSISDBHSA-N 324.424 2.975 0 50 DFAA Cc1cccc([C@@H](C(=O)N(C)Cc2cc(C)no2)N(C)C)c1 95362726 JHOVTTIPRZEARR-INIZCTEOSA-N 301.390 2.553 0 50 DFAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1OC(F)F 238997305 ADSJURQETKKVPA-RBJBARPLSA-N 323.295 2.749 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)[C@H]1Cc2ccccc2S1 95376910 YMXMRBQHAKJYDN-CQSZACIVSA-N 316.430 2.534 0 50 DFAA CN(C)CCCn1ccnc1[C@H]1CCCN(c2ccncc2)C1 95391667 CORKSQAHJALGIA-INIZCTEOSA-N 313.449 2.614 0 50 DFAA CCOc1ccc(C(C)=O)cc1NC(=O)N1CCCC[C@@H]1CO 95519647 UDDLGBVQTUSHKG-CQSZACIVSA-N 320.389 2.667 0 50 DFAA CCc1ocnc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C 265840698 VRJMYZPUBVUQIW-CQSZACIVSA-N 301.390 2.578 0 50 DFAA CCOCC(C)(C)NC(=O)N(C)Cc1ccccc1CN(C)C 534675039 ZCANLXIGMVZBCH-UHFFFAOYSA-N 321.465 2.705 0 50 DFAA Cn1nc(C2CC2)cc1NC(=O)N[C@@H]1COC2(CCCCC2)C1 299758835 QMHSQHWVOBJADZ-ZDUSSCGKSA-N 318.421 2.911 0 50 DFAA CCn1ccc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 823587905 PWZDZTIRJXVMLH-SFHVURJKSA-N 312.461 2.857 0 50 DFAA COc1cc(CCN[C@@H]2CCC3(C[C@@H]2F)OCCO3)ccc1C 585135788 BFHHMLBYSODCKS-JKSUJKDBSA-N 323.408 2.769 0 50 DFAA O=C(c1nc(-c2ccccc2)n2c1COCC2)N1CCC[C@H]2C[C@@H]21 1875272194 XLJAOGLBIJMKJO-GJZGRUSLSA-N 323.396 2.705 0 50 DFAA O=C(C[C@@H]1CCC12CCC2)NS(=O)(=O)Cc1ccsc1 1875318180 ORPKGPVMRYZAAE-LBPRGKRZSA-N 313.444 2.665 0 50 DFAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3Cc4ccccc4CO3)n[nH]c21 1875395186 QBBROKCSEVDBCH-MNOVXSKESA-N 313.357 2.520 0 50 DFAA COc1cc2c(c3oc(=O)c4c(c13)CCC4)[C@@H](O)CC(C)(C)O2 951727072 YHVIEZDWLWBEOD-NSHDSACASA-N 316.353 2.885 0 50 DFAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)c1ccon1 952967356 ZPHUDKBKSPFPPV-CQSZACIVSA-N 302.330 2.875 0 50 DFAA C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@](O)(C(=O)O)C1 1775994669 ZGVVDFKRRJMPAS-FZKQIMNGSA-N 305.418 2.957 0 50 DFAA CC(C)(C)c1ncc(CN2C[C@@H](C(=O)O)C3(CCCC3)C2)cn1 1776282724 USHMCTNYVMIPLV-AWEZNQCLSA-N 317.433 2.851 0 50 DFAA COc1ccc(-c2ccc(C(=O)N[C@H]3C[C@H]4OCC[C@@H]34)o2)cc1 1565530163 IBXBCWJCBHPUAW-GRDNDAEWSA-N 313.353 2.862 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)NCc1nc2cccc(Cl)c2n1C 276889028 DCVIFBUQISWCSX-MNOVXSKESA-N 321.808 2.658 0 50 DFAA C[C@H](CNC(=O)NC[C@@H]1CC[C@H](O)C1)c1ccc(F)cc1F 170608233 ZUSQGTBHHBGVOA-WZRBSPASSA-N 312.360 2.529 0 50 DFAA O=C(NCCc1nc(C2CCCCC2)cs1)C1=COCCO1 111095551 FRLHJYMLMPONGC-UHFFFAOYSA-N 322.430 2.738 0 50 DFAA C[C@H]1C[C@@H](CN2CCN(C(=O)CCC3CCCC3)CC2)CCO1 225561068 DFUQVUKENWRWCE-WMZOPIPTSA-N 322.493 2.916 0 50 DFAA O=C(O)[C@@]12CCCC[C@@H]1CN(Cc1cccc3c1CCOC3)C2 634693436 XQYKLFZPVGBEFJ-VQIMIIECSA-N 315.413 2.836 0 50 DFAA CCO[C@H]1C[C@H](N(C)C(=O)Cc2c(C)n[nH]c2C)C12CCCC2 172724852 RPPZVWRPJUTYLA-HOTGVXAUSA-N 319.449 2.765 0 50 DFAA O=C(C[C@@H]1C=CCCC1)NCc1nnc(C2CC2)n1C1CC1 188089641 NDUIVTKUHPBWGZ-GFCCVEGCSA-N 300.406 2.853 0 50 DFAA CCc1nc(C)ccc1OCc1nnc([C@H]2CCCOC2)o1 643649719 IAHBUCNLBNAPIN-LBPRGKRZSA-N 303.362 2.808 0 50 DFAA C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)Nc1cccnn1 646303719 ARZBMGXQTGIUIC-QGZVFWFLSA-N 314.364 3.245 0 50 DFAA C[C@H](NCCc1ccc2c(c1)OC(F)(F)O2)c1ccn(C)n1 652317537 UKKFMVXIPQAMOT-JTQLQIEISA-N 309.316 2.635 0 50 DFAA CN(Cc1ccc2nsnc2c1)C(=O)c1ccn(C(F)F)n1 1506421931 LGRUHXCSFZXBME-UHFFFAOYSA-N 323.328 2.555 0 50 DFAA COc1cccc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1OC 1529110875 UPCJVGLHGUUFIT-GEEKYZPCSA-N 305.418 2.685 0 50 DFAA COc1c(F)cccc1CN1CCC2(CC1)C[C@@](C)(O)CCO2 1704305735 RCCRANHSFKCZGU-KRWDZBQOSA-N 323.408 2.730 0 50 DFAA O=C(C[C@@H](O)C1CC1)NCCc1ccc(C(F)(F)F)cc1 1615586709 REPZKEXQXBPWGX-CYBMUJFWSA-N 301.308 2.525 0 50 DFAA Cc1ncc(C(=O)N2CCC[C@H]2C2(O)CC2)c(-c2ccccc2)n1 1772814392 WSKSEUOYZXWNKT-INIZCTEOSA-N 323.396 2.582 0 50 DFAA c1cncc(-n2cccc2CN[C@@H]2COc3ccccc3C2)c1 19720374 KPHSURPTCPKMDC-INIZCTEOSA-N 305.381 2.966 0 50 DFAA CN1CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)CC1 19798855 CVARLGHKNPUMND-UHFFFAOYSA-N 308.425 2.767 0 50 DFAA O=C(CCCn1cccc1)Nc1nnc(C(F)(F)F)s1 159107349 IZQQPSLCCPKBJD-UHFFFAOYSA-N 304.297 2.777 0 50 DFAA Cc1nc(=NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)s[nH]1 333476522 ONYUGEUQQPVCHV-QLEHZGMVSA-N 319.352 2.822 0 50 DFAA CCCn1[nH]c(=NC(=O)CCC(=O)c2ccc(F)cc2)cc1C 1875244436 KHWLBOQEXHGYNU-UHFFFAOYSA-N 317.364 2.764 0 50 DFAA CCS(=O)(=O)c1ccccc1N(C)CCc1ncc(C)s1 225521772 ORLAUQPXKIPHGM-UHFFFAOYSA-N 324.471 2.924 0 50 DFAA O=S(=O)(CC1CCCCC1)N1CCO[C@H]2CCCC[C@H]21 230117996 HLMSTLGBFFCQIA-CABCVRRESA-N 301.452 2.540 0 50 DFAA CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1nccnc1N 328594456 LJHCVXMXFARSIM-AWEZNQCLSA-N 302.353 2.667 0 50 DFAA O=C(CCc1ccncn1)N1CC(Cc2ccccc2Cl)C1 328588030 MIKVVJBXCNABRI-UHFFFAOYSA-N 315.804 2.764 0 50 DFAA Cc1ccc(CCNC(=O)CC2C[C@@H]3CC[C@H](C2)N3)c(C)c1 237712791 CBMKVOYPTIKDDE-ZNXRZULTSA-N 300.446 2.883 0 50 DFAA Cc1nn(C)c2ncc(NC(=O)[C@@H]3OCCc4ccccc43)cc12 137073868 SSSZEYWPAWKIMC-MRXNPFEDSA-N 322.368 2.529 0 50 DFAA CCC(CC)[C@@H]1CCN(C(=O)c2c(C)oc3nc[nH]c(=O)c23)C1 150840055 RXLXQOVKNCLAMT-GFCCVEGCSA-N 317.389 2.723 0 50 DFAA C[C@H]1C(=O)Nc2ccccc2N1C(=O)COC1CCCCC1 162364670 DDVBLEWWIQQCOF-LBPRGKRZSA-N 302.374 2.710 0 50 DFAA COc1ccc([C@H](C)CCNC(=O)N2CCC(CO)CC2)cc1 266787614 MIGWPVRZCBIFFF-CQSZACIVSA-N 320.433 2.603 0 50 DFAA O=C(c1nc[nH]c1C(F)(F)F)N1CC[C@@H](c2nccs2)C1 916218148 AJEWIEXHTNLCPS-SSDOTTSWSA-N 316.308 2.515 0 50 DFAA C[C@@]1(C(=O)NCCc2cccc(O)c2)CCOc2ccccc21 934941750 ISKCJFVAAXVKSQ-LJQANCHMSA-N 311.381 2.791 0 50 DFAA CCc1ccc([C@@H]2CCCN2S(=O)(=O)N2C[C@H]3CC[C@H]3C2)o1 2325765507 VGOOKMSUHWYAFV-GUTXKFCHSA-N 324.446 2.566 0 50 DFAA N=c1nc([C@H]2CCN(Cc3ccccc3-c3ccccc3)C2)[nH][nH]1 2325800451 IGLVNNBBMSEHIP-INIZCTEOSA-N 319.412 2.874 0 50 DFAA CCc1nc2ccccc2cc1C(=O)NCCc1[nH]cnc1C 2325802208 PWTZHNFJPQWGRB-UHFFFAOYSA-N 308.385 2.801 0 50 DFAA Cc1cccn2cc(C(=O)N3CCC(c4cn[nH]c4)CC3)cc12 933136506 JIGXXRXVHFRAIY-UHFFFAOYSA-N 308.385 2.991 0 50 DFAA COc1ccccc1C(=O)NC(=S)N1CCc2ccccc21 556133 KDQCGDQPEKHVPW-UHFFFAOYSA-N 312.394 2.773 0 50 DFAA O=C(O)c1ccc(OCCCOc2ccc(C(=O)O)cc2)cc1 1846432 VBISQLWPGDULSX-UHFFFAOYSA-N 316.309 2.931 0 50 DFAA in-man CC(C)OC(=O)NCCOC(=O)N(O)c1ccc(Cl)cc1 2836047 IWPDGHLNORRYSY-UHFFFAOYSA-N 316.741 2.807 0 50 DFAA COc1ccccc1-c1noc(CCC(=O)Nc2cccnc2)n1 2875659 DIOWPOPIEZASED-UHFFFAOYSA-N 324.340 2.712 0 50 DFAA CC(C)OP(=O)(OC(C)C)[C@]1(O)C(=O)Nc2ccccc21 2978971 MTNDFRHQDPGGNR-AWEZNQCLSA-N 313.290 2.827 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3ccco3)C2)CC1 2356158319 XYOSOGKHTKYWNX-JYJNAYRXSA-N 320.433 2.565 0 50 DFAA C[C@H]1CC[C@H](NC(=O)NC[C@H]2CC(C(F)(F)F)=NO2)CC1 864095676 VWHQRYLBVJXCKK-OPRDCNLKSA-N 307.316 2.572 0 50 DFAA COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 8699261 HMAXDKCSXKNKKD-OLZOCXBDSA-N 321.373 2.730 0 50 DFAA CN1CCN(CCOCCSc2ccc(Cl)cc2)CC1 20118271 APYLXEAVRURNFV-UHFFFAOYSA-N 314.882 2.696 0 50 DFAA Cc1cc(Br)cc(C(=O)N[C@@H](C)[C@H]2CCOC2)c1 128248366 JEQSCEFDNUXAEC-QWRGUYRKSA-N 312.207 2.912 0 50 DFAA CN(C)c1ccccc1C(=O)N1CCN(C)[C@@H](c2ccccc2)C1 215267985 NSJUXRYHNZUXIB-LJQANCHMSA-N 323.440 2.882 0 50 DFAA CN(C)Cc1ccc([C@@H]2CCCCN2S(=O)(=O)C2CC2)cc1 72168592 RYJFVRYRSQEFOG-KRWDZBQOSA-N 322.474 2.767 0 50 DFAA CO[C@H]1CCCC[C@@H]1NC1CCN(Cc2ccccn2)CC1 341604084 JUJYIVCDRSMHMW-ROUUACIJSA-N 303.450 2.593 0 50 DFAA O=C(c1cnn(Cc2ccccc2)c1)N1C[C@H]2CC=CC[C@H]2C1 71754996 DPUWHSRCJZLDHF-CALCHBBNSA-N 307.397 2.970 0 50 DFAA CCN(C(=O)NCCc1c[nH]c2ccccc12)[C@H](C)CN(C)C 241435199 NLQBYWLFOGFLEM-CQSZACIVSA-N 316.449 2.692 0 50 DFAA C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 241587909 OYBMUHGTHNULTI-FRFSOERESA-N 304.409 2.952 0 50 DFAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1 34792217 PKHHJECXXHOADW-SJORKVTESA-N 306.365 2.945 0 50 DFAA biogenic CS[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 252477056 HIIFHLZCLPBHFE-GFQSEFKGSA-N 312.435 2.675 0 50 DFAA CC[C@H](NC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1cccs1 246543005 VPVREYJTRAEWSK-MJBXVCDLSA-N 324.446 2.789 0 50 DFAA O=C(NCC1(CO)CCOCC1)c1cc2cc(Cl)ccc2o1 151594173 YMQKGPHDMFFBQI-UHFFFAOYSA-N 323.776 2.605 0 50 DFAA CCc1cc(NC(=O)c2ccc(=O)n(C)c2)c2ccccc2n1 153766606 NKOAAYQLWVRGOE-UHFFFAOYSA-N 307.353 2.748 0 50 DFAA COc1ccc(N(C(=O)[C@@H]2CC[C@H](N)C2)[C@@H](C)C2CC2)cc1 154510357 GGBXMGNXLMWFEK-CFVMTHIKSA-N 302.418 2.954 0 50 DFAA c1ccc(-n2ccnc2)c(CNC2CCC3(CC2)OCCO3)c1 155292207 MKCLBLYYKPUWHI-UHFFFAOYSA-N 313.401 2.648 0 50 DFAA CON(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 38960373 SCJHTSDYKFTJSN-ZDUSSCGKSA-N 314.426 2.870 0 50 DFAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(F)cc2Cl)C1 379171926 DNDOTEYOQCTUCM-GZMMTYOYSA-N 324.705 2.973 0 50 DFAA Cn1ccc2c(-c3ncccc3C(=O)N3CCCC3)ccnc21 72438805 MBTWDNGLOHXJPN-UHFFFAOYSA-N 306.369 2.871 0 50 DFAA C[C@H](CC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C1CCNCC1 262601888 AHLBCSDWQTYWEN-HMGSXCDBSA-N 304.478 2.953 0 50 DFAA COC(=O)CCCn1ccnc1-c1ccc(OC)c(F)c1F 71752688 MSAUQGOWNPHZAK-UHFFFAOYSA-N 310.300 2.790 0 50 DFAA CC1=CC[C@@H]2CN(C(=O)CCn3nnc4ccccc43)C[C@@H]2C1 71765438 TVPQZKSRAKXKAJ-CABCVRRESA-N 310.401 2.636 0 50 DFAA COc1cccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)c1 77487903 WBWBHUDDIWWXNN-QGZVFWFLSA-N 322.368 2.944 0 50 DFAA CC1=C(C)CN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 287259563 HTTRRTZSCBBDOC-UHFFFAOYSA-N 320.336 2.831 0 50 DFAA O=C(O)c1cnn(-c2ccc(Br)cn2)c1C1CC1 87846736 RNTHVQCHQHFTGM-UHFFFAOYSA-N 308.135 2.605 0 50 DFAA COc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)o1 222474988 APKKLIMQMDEAHO-LBPRGKRZSA-N 318.348 2.684 0 50 DFAA CCc1nnc(CNC(=O)N2CCc3cc(C)ccc32)s1 291466109 MKMLOCHWPSHMGQ-UHFFFAOYSA-N 302.403 2.681 0 50 DFAA CC(=O)c1ccc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)s1 222581427 FUUVGMNYJXCZOS-CYBMUJFWSA-N 317.414 2.851 0 50 DFAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc3ccc(C)cc3n1C)C2 426571647 QOYJFNDJGAIKEE-HWWDLCQESA-N 312.413 2.984 0 50 DFAA CCOc1ccc(OCCn2c(C)nn(C(C)(C)C)c2=O)cc1 180398311 SVFKPKHUVGQNJA-UHFFFAOYSA-N 319.405 2.586 0 50 DFAA CC(C)N1CCC[C@@]2(CCN(c3cnc4ccccc4n3)C2)C1=O 91665790 HPBGCBMJJVCEFD-IBGZPJMESA-N 324.428 2.857 0 50 DFAA Cc1cc(C)c(CNCc2cc(=O)c3cc(F)ccc3[nH]2)cn1 95368387 INLRMACXHAUNCC-UHFFFAOYSA-N 311.360 2.969 0 50 DFAA CCC[C@H]1CCCN1C(=O)Nc1ccc(-n2nnnc2C)cc1 95524127 PKIFICYKXDXMLW-AWEZNQCLSA-N 314.393 2.767 0 50 DFAA CCc1nnc(CNC(=O)C[C@@H]2CCc3ccccc32)s1 91586285 UYRSCLMSLOYFOD-LBPRGKRZSA-N 301.415 2.837 0 50 DFAA NC(=O)c1c(F)cccc1CC[C@@H]1COc2ccccc2O1 244758159 OTGIPSOTXOMCCW-GFCCVEGCSA-N 301.317 2.697 0 50 DFAA O=C(CCn1ccnn1)N1CCCc2cc(C(F)(F)F)ccc21 298387383 RZUDBHXCOYJBGL-UHFFFAOYSA-N 324.306 2.666 0 50 DFAA Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]2C[C@H](C)O)c1 269834105 QCXPFCYTXYWOFD-HRCADAONSA-N 304.434 2.866 0 50 DFAA Cc1ccc(C)n1CC(=O)Nc1n[nH]c(CCc2ccccc2)n1 253394281 ABIOLERGQNWMRB-UHFFFAOYSA-N 323.400 2.647 0 50 DFAA CSCC1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 252485507 GXEAQWLPPHYASI-AWEZNQCLSA-N 306.475 2.766 0 50 DFAA CC(C)n1cnnc1[C@H](C)NC(=O)c1cccc(OC(F)F)c1 299772362 ZMQMQNAUQIEKCE-JTQLQIEISA-N 324.331 2.951 0 50 DFAA Cc1nc(CN2CCCCC2=O)n(-c2ccc3c(c2)CCC3)n1 828263749 AMQVQJFEHPFEER-UHFFFAOYSA-N 310.401 2.577 0 50 DFAA COCC[C@H]1CCCN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 584887965 GDENISSDHZVGRP-CQSZACIVSA-N 313.401 2.965 0 50 DFAA CN(Cc1cc(=O)n2c3c(cccc13)CCC2)C[C@@H]1CCCO1 670463512 SJGNHBARVQTOIE-INIZCTEOSA-N 312.413 2.559 0 50 DFAA CSCc1ccccc1NC(=O)C1=CS(=O)(=O)CCC1 952876535 AHFPOIVHRNUWRK-UHFFFAOYSA-N 311.428 2.581 0 50 DFAA Cc1[nH]nc2ncc(CNC[C@@H](C)Oc3cccc(F)c3)cc12 1875347931 YSTBAVZJJMVKCP-LLVKDONJSA-N 314.364 2.963 0 50 DFAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)c2ccsc2)C1 958527575 DDXCQCBDUZKTEG-WFASDCNBSA-N 312.435 2.510 0 50 DFAA CC1(C)CCC[C@H](CNC(=O)Cn2cc3ccccc3n2)O1 890132771 QINNHVLEMOFTIZ-CQSZACIVSA-N 301.390 2.500 0 50 DFAA CCc1nc(NCCc2cc(C)n(C)n2)c2ccsc2n1 896025951 FLTZWPXWOAPRBS-UHFFFAOYSA-N 301.419 2.950 0 50 DFAA O=C(c1cc(O)nc2ncccc12)N1CCC2(CC1)CC2(F)F 1775998865 JLVYDIUFTYFOFB-UHFFFAOYSA-N 319.311 2.597 0 50 DFAA O=C(NC1CCCC1)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565527557 REVAOCKHTYAZDU-XMTFNYHQSA-N 314.429 2.874 0 50 DFAA COc1ccc([C@@H](C)NC(=O)c2nc[nH]c2C(F)(F)F)cc1 1433607639 ROQPYNOYPLOISQ-MRVPVSSYSA-N 313.279 2.928 0 50 DFAA CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCCC3)cc2)CCN1C 585131531 YHQDFQBFSGGESZ-DLBZAZTESA-N 301.434 2.956 0 50 DFAA Cc1ccccc1OCCN(C)C(=O)c1ccc(N(C)C)cn1 170595745 SWWIQOCEPYPSGF-UHFFFAOYSA-N 313.401 2.607 0 50 DFAA CC[C@@H](C)Oc1cc(CNC(=O)c2cncc(F)c2)ccn1 170592310 VGTMJROPDAJXPK-LLVKDONJSA-N 303.337 2.723 0 50 DFAA Cc1ccc(C(=O)c2occc2NC(=O)C2=COCCO2)cc1 170607591 WFDZLZRYWSSWKE-UHFFFAOYSA-N 313.309 2.646 0 50 DFAA CC(=O)Nc1ccc(CNC(=O)C2(Cc3ccccc3)CC2)cn1 280018480 DDCZLBXUAXRKMZ-UHFFFAOYSA-N 323.396 2.679 0 50 DFAA Cc1cccc(C2(C(=O)N[C@H]3CCCCNC3=O)CCCC2)c1 171155583 CUTKZOOIENTNAA-INIZCTEOSA-N 314.429 2.592 0 50 DFAA Cn1c(CCNC(=O)c2cc(Cl)c[nH]2)nc2c(F)cccc21 109901081 UOSNLXDWTVJLKD-UHFFFAOYSA-N 320.755 2.666 0 50 DFAA COC(=O)[C@@H](C)N(C)C(=O)c1cccc(-c2csc(C)n2)c1 225476244 UMSWTBTYSPOFJL-SNVBAGLBSA-N 318.398 2.752 0 50 DFAA NC(=O)c1cccc(SCc2nc(-c3ccccn3)no2)c1 685577801 JRFKNIHBIZRFLG-UHFFFAOYSA-N 312.354 2.523 0 50 DFAA C[C@H]1OCCC[C@@H]1C(=O)Nc1cnn(-c2ccccc2F)c1 189232312 GTWYGKNLYYQTOG-YPMHNXCESA-N 303.337 2.765 0 50 DFAA Cc1nn(C)c2ncc(NC(=O)[C@H]3CCc4cccc(O)c43)cc12 644870898 AJBXHZZPXZPUQF-ZDUSSCGKSA-N 322.368 2.651 0 50 DFAA C[C@@H](Cc1ccc(NC(=O)Cc2cscn2)cc1)C(=O)O 668283596 TZSVKNXLSXYSCT-JTQLQIEISA-N 304.371 2.588 0 50 DFAA Cc1cc(C)c(NC(=O)N2CC(=O)N(C)[C@H](C)C2)c(Cl)c1 669709164 NBNHTYYROADCOA-LLVKDONJSA-N 309.797 2.651 0 50 DFAA Cc1cccc(N2CC[C@H](CNc3nccnc3N(C)C)C2)c1 1704297705 CUSURFHYANWZBS-OAHLLOKOSA-N 311.433 2.789 0 50 DFAA COC(=O)c1ccc(OC)c(Oc2cccc(OC)c2CN)c1 1772718103 OOVGRXCAQRNFLN-UHFFFAOYSA-N 317.341 2.741 0 50 DFAA C[C@@]12C[C@@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 1772813719 QKFJZMVSJLIHII-BZNIZROVSA-N 307.777 2.522 0 50 DFAA COCCCNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 12138449 BAYLZZKNQHLOQS-UHFFFAOYSA-N 318.417 2.972 0 50 DFAA COC(=O)CCC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 12198474 XBYACMSCMQTUCN-AWEZNQCLSA-N 321.392 2.950 0 50 DFAA CCCC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 12711133 YSCUTQROMRRNEN-MRXNPFEDSA-N 310.397 2.857 0 50 DFAA COc1ccc(-n2c(C)nc3ccc(OC(C)=O)cc3c2=O)cc1 13692603 BCKPIOMIYMSWHT-UHFFFAOYSA-N 324.336 2.628 0 50 DFAA COc1ccc(CN[C@H]2COc3c(cccc3OC)C2)c(F)c1 15072011 YBFYVDFFCLGTDT-CQSZACIVSA-N 317.360 2.936 0 50 DFAA Cc1cccc(C(=O)N2CCN(CCc3ccccc3)CC2)c1 16605300 GIYCJIYPHWRIGZ-UHFFFAOYSA-N 308.425 2.996 0 50 DFAA O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3 18161723 GBVSBJKLTXTKKF-UHFFFAOYSA-N 318.785 2.883 0 50 DFAA Nc1ccc(I)c(F)c1Br 169797851 TTXBFIBGXTYPBS-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)[C@H]1C[C@H]2C=C[C@@H]1CC2 1857532013 YCQQQSFJRRINKA-VZAMPYOESA-N 317.360 2.712 0 50 DFAA Cc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)c(Cl)c1 408520567 LYFRRDNOMHCFDL-UHFFFAOYSA-N 320.780 2.846 0 50 DFAA CC(C)c1nccc(N2CCN(c3ccc(Cl)cn3)CC2)n1 110308741 GNFZBQFCCLHNQP-UHFFFAOYSA-N 317.824 2.975 0 50 DFAA Cc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccco3)C2)c1 225782894 ZNCJWACVFFYZLE-AWEZNQCLSA-N 304.371 2.699 0 50 DFAA C[S@](=O)c1ccc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)cc1 328628791 ODAPLRLKOSPBKZ-ZJTDPSCFSA-N 309.475 2.965 0 50 DFAA CCN1CCN(C(=O)C2=CCCCCC2)C[C@@H]1c1nccn1C 328618495 DTBUHFCZEMCARX-MRXNPFEDSA-N 316.449 2.516 0 50 DFAA CC(=O)N1CC[C@](C)(c2nc(-c3cc4ccccc4o3)no2)C1 350953938 KNCSVZIGQJKBRA-KRWDZBQOSA-N 311.341 2.993 0 50 DFAA COc1ncc(CN2C[C@@H](CO)Oc3ccccc32)cc1Cl 676891161 XJSFEPRNNLWHEU-LBPRGKRZSA-N 320.776 2.504 0 50 DFAA O=C(C[C@@H]1COCCN1)NC1(c2cccc(Cl)c2)CCCC1 262573822 SRDSOSIVIYDUGG-OAHLLOKOSA-N 322.836 2.604 0 50 DFAA C[C@H]1C[C@@H](C(=O)N2CCC(c3nc[nH]n3)CC2)CC(C)(C)C1 378556402 ZYCQPWSKFBPTNZ-GXTWGEPZSA-N 304.438 2.973 0 50 DFAA CC[C@@H](C)CONC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 816977320 XARAFIYYKKKIOZ-RISCZKNCSA-N 324.808 2.787 0 50 DFAA O=C(c1cc(=O)cc[nH]1)N1CC[C@H](CSc2ccccc2)C1 933740842 NIONOWGHUMKTLO-ZDUSSCGKSA-N 314.410 2.629 0 50 DFAA Cc1oc2ccc(NC(=O)[C@@H](N)CCc3cn[nH]c3)cc2c1C 2325801893 ZPABNPTZDPZJAD-HNNXBMFYSA-N 312.373 2.671 0 50 DFAA CCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 240449 ZVODFTAXUYDEDQ-UHFFFAOYSA-N 313.309 2.814 0 50 DFAA O=C(NCc1ccccc1)c1cc(-n2cnnc2)ccc1Cl 360413 SGSGLYWDYLNXRS-UHFFFAOYSA-N 312.760 2.851 0 50 DFAA COC(=O)c1ccc(COc2ccc(C=O)cc2OC)cc1 447270 SXQFUFPFCNTWEB-UHFFFAOYSA-N 300.310 2.873 0 50 DFAA O=C(c1csc2ccccc12)N1CCN(c2ncccn2)CC1 2768235 ARLVQCCEBBZCQB-UHFFFAOYSA-N 324.409 2.654 0 50 DFAA CCCCOc1c(CN2CCC(C(N)=O)CC2)cccc1OC 55404327 OKQJFPJLHGEHTO-UHFFFAOYSA-N 320.433 2.571 0 50 DFAA c1cc(CN2CCCC2)cc(-n2ccc(-c3cnccn3)n2)c1 65494889 HMTOTDRNGJLECW-UHFFFAOYSA-N 305.385 2.925 0 50 DFAA O=C1CN(C(=O)Cc2cccc(Cl)c2)c2ccccc2N1 61441582 INNYTNNMJIPHLH-UHFFFAOYSA-N 300.745 2.868 0 50 DFAA Cc1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 67612695 WNVVCOFHXWPVQQ-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA FC(F)(F)c1cn2c(n1)CC[C@@H](CN[C@H]1CCCSC1)C2 328633196 LWJLNYFOAAYGKI-QWRGUYRKSA-N 319.396 2.950 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2cnc(C(C)C)s2)cnn1C 328619971 GOXCPTBBQLCQCA-LSDHHAIUSA-N 320.462 2.928 0 50 DFAA O=S(=O)(CC1CCC1)N[C@@H]1CCCOc2ccc(F)cc21 329145179 NMLIXLFXHPBXED-CQSZACIVSA-N 313.394 2.759 0 50 DFAA Nc1cc(N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)ncn1 67833609 OISLDFZLTXDVGS-CQSZACIVSA-N 320.400 2.833 0 50 DFAA COc1ccc2c(c1OC)C(=O)N1CC[C@]3(O)CCCC[C@H]3[C@@H]21 22339370 BNCNIDBYGPZZEJ-WBHUJUFNSA-N 317.385 2.526 0 50 DFAA O[C@@H]1CN(CC2CCCC2)CC[C@H]1c1ccc2c(c1)OCO2 67740822 KUPWZZDPFLMXCK-JKSUJKDBSA-N 303.402 2.756 0 50 DFAA O=C(NC(=O)C(F)(F)F)Nc1cccc(C(F)(F)F)c1 1567288 KTYHTAPRHUMVJK-UHFFFAOYSA-N 300.158 2.916 0 50 DFAA biogenic O=C(O)c1cc2nccc(-c3ccc(OC(F)F)cc3)n2n1 2790333 NWKLAISOFBJSRP-UHFFFAOYSA-N 305.240 2.696 0 50 DFAA CC(C)n1cc2cc(NC(=O)CC3CCNCC3)ccc2n1 236798035 YOVAPVVDYPXKJJ-UHFFFAOYSA-N 300.406 2.945 0 50 DFAA C[C@H](c1cccnc1)N(C)C(=O)c1ccc(Cn2ccnc2)o1 71752774 LGZHFSBQULODTG-CYBMUJFWSA-N 310.357 2.753 0 50 DFAA Cc1nc([C@H]2CCCN(c3ccc4nncn4n3)C2)sc1C 333551088 MNBLYSPBKXOCIZ-LBPRGKRZSA-N 314.418 2.582 0 50 DFAA C[C@@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 252586851 TYMUIHIUBWATRO-KBUPBQIOSA-N 312.454 2.525 0 50 DFAA CCCn1ncc(CN[C@H]2COc3c(cccc3OC)C2)c1C 39518862 ZRGBRTIYRHCQEJ-MRXNPFEDSA-N 315.417 2.703 0 50 DFAA Cc1cc2cc(NC(=O)N(CCOCCO)C(C)C)ccc2[nH]1 338441796 XLRYBIIKZFRRCW-UHFFFAOYSA-N 319.405 2.728 0 50 DFAA C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cnn(C[C@H]2CCCO2)c1 363271816 UYFHMORBPWOQCH-YUELXQCFSA-N 306.410 2.762 0 50 DFAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 364039546 HFXSUSOUJMLKNP-HNNXBMFYSA-N 315.421 2.540 0 50 DFAA CC(C)c1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc(O)n1 367630682 GDEOZQFUSFACAO-UHFFFAOYSA-N 323.356 2.948 0 50 DFAA Cc1nnnn1CCCN1CCCC[C@@H]1CCc1ccccc1 72170313 WSUMRZMPYXIXPS-GOSISDBHSA-N 313.449 2.859 0 50 DFAA Cc1oc(C(=O)N2CCC[C@@H](N)C2)cc1COc1ccccc1 157872737 AWMRAOPIXHFSLZ-OAHLLOKOSA-N 314.385 2.730 0 50 DFAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1nc(-c2ccccc2)cs1 262390083 KHVGCGGKAXLGHL-MVWJERBFSA-N 316.382 2.708 0 50 DFAA Fc1ccccc1CC[C@@H]1CCCN(CCCn2cnnn2)C1 72154165 DEXKMTGGGYWDMS-HNNXBMFYSA-N 317.412 2.547 0 50 DFAA O[C@H](CN1CC[C@@H](OCc2ccncc2)C1)c1ccccc1F 287570567 BTQPQWQWQCONJE-CRAIPNDOSA-N 316.376 2.545 0 50 DFAA CCCNS(=O)(=O)c1ccc(Br)c(Cl)c1 134048206 MMDHIQVHTOLIAW-UHFFFAOYSA-N 312.616 2.791 0 50 DFAA CC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 82121365 DCQZDAICTKNYKM-IBGZPJMESA-N 322.408 2.801 0 50 DFAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CC1CCSCC1 161835961 PNOPJTCKQKCONH-UHFFFAOYSA-N 307.415 2.877 0 50 DFAA O=C(c1onc2c1CCCC2)N1CCC[C@H]1c1nccs1 426518438 XZQULIZOJQXRDX-LBPRGKRZSA-N 303.387 2.987 0 50 DFAA CNC[C@H]1CCCN1C(=O)c1csc(-c2ccccc2F)n1 237273656 GCOIGPSKDPKFON-LLVKDONJSA-N 319.405 2.773 0 50 DFAA COc1cc(F)ccc1[C@@H](C(=O)O)N(C)Cc1csc(C)n1 95381128 NGSSIPJTTOVCKN-AWEZNQCLSA-N 324.377 2.857 0 50 DFAA COCC[C@]1(C(=O)O)CCCN(C/C(C)=C/c2ccco2)C1 92020041 BZWCQAWCBOZSMV-GWKQRERASA-N 307.390 2.886 0 50 DFAA CSCCc1nc(-c2ncoc2C)n(CC(F)(F)F)n1 96165469 ZOLLJJKQVAJPDX-UHFFFAOYSA-N 306.313 2.709 0 50 DFAA CC(C)(C)c1oc(C(N)=O)cc1CN1CC(c2ccccn2)C1 244735037 NRZWCTGXFFKLSE-UHFFFAOYSA-N 313.401 2.670 0 50 DFAA CCn1nc(CNC(=O)c2n[nH]c3c2CCCC3)c2ccccc21 534644248 DRKDXYWAIJMXFV-UHFFFAOYSA-N 323.400 2.588 0 50 DFAA O=C(NC[C@@H]1CCN(C2CCCCC2)C1)c1cc(O)ccc1F 299776678 KHZKSHOBZKQXIU-ZDUSSCGKSA-N 320.408 2.916 0 50 DFAA CC(C)CCOc1ccc(CCN[C@@H]2CCNC(=O)CC2)cc1 821158415 YVWMRQICIHIOFG-KRWDZBQOSA-N 318.461 2.912 0 50 DFAA Cc1nnc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)s1 185371722 UYBIHKPKMMRAQK-LBPRGKRZSA-N 323.805 2.714 0 50 DFAA CC(C)(C)OC(=O)NCCCN1CCCC[C@H]1c1ncccn1 952883071 UFNPGHXTFCZUSR-AWEZNQCLSA-N 320.437 2.918 0 50 DFAA CC(=O)N1CC(C)(C)OC2(C1)CN([C@@H](C)c1cccc(C)c1)C2 952895401 UOOHCDXMXSHKAK-HNNXBMFYSA-N 316.445 2.768 0 50 DFAA Cc1cc(N2CC[C@@H](CCN)C2)nc(N(C)c2ccccc2)n1 1875282186 QNKNGIKKGZONPC-OAHLLOKOSA-N 311.433 2.728 0 50 DFAA CC(C)[C@@H](Nc1cc(=O)n(C)c(O)n1)c1ccc(F)cc1F 1875275361 CCHHDIXCMAPDAQ-CQSZACIVSA-N 309.316 2.573 0 50 DFAA Cc1cc(Cn2cc3cccc(Br)c3n2)ncn1 1875290131 YRVWZYUCEYUGNP-UHFFFAOYSA-N 303.163 2.946 0 50 DFAA COc1cccc([C@@H]2CCCN2C(=O)C2=C(C)OCCO2)c1 952964319 MXTRXBKQQUQDKY-HNNXBMFYSA-N 303.358 2.637 0 50 DFAA CCc1nnc(C[C@@H]2CC[C@H](Nc3ncc(Cl)cn3)C2)o1 1775957560 AVUPRUIPPKNNCD-KOLCDFICSA-N 307.785 2.899 0 50 DFAA CN1CCC[C@@H](c2nc(-c3ccc(Br)o3)no2)C1 1775989678 FRCAZISGZOULJF-MRVPVSSYSA-N 312.167 2.901 0 50 DFAA C[C@@H]1C[C@H](C(=O)Nc2c(O)ccc(Br)c2F)CO1 1776005453 FMCBFQGXYNZWOF-RQJHMYQMSA-N 318.142 2.657 0 50 DFAA CC(C)C[C@H](N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 167789836 AARFZAOEYHEPHL-YJBOKZPZSA-N 317.477 2.702 0 50 DFAA Cc1cnccc1OC1CCN(c2ncnc3[nH]ccc23)CC1 278409825 HMFOZFQTVBOPEW-UHFFFAOYSA-N 309.373 2.709 0 50 DFAA Cc1ccc(F)cc1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 170602878 YXTMXUKOMSXRGV-GFCCVEGCSA-N 322.405 2.632 0 50 DFAA Cc1cc(CN=c2nc(C3CC3)[nH]s2)cc(N2CCCC2)n1 584333521 RYCPUHBQCFMWIF-UHFFFAOYSA-N 315.446 2.753 0 50 DFAA COc1ccccc1[C@@H](C)N1CCN(C(=O)C(C)(F)F)CC1 585083601 KYNHHSVJBJOEGH-GFCCVEGCSA-N 312.360 2.556 0 50 DFAA CCCCN(C)c1ccc(C(=O)N[C@H]2CCn3cncc32)cc1 585122659 PQEXLUVYFRLWNA-INIZCTEOSA-N 312.417 2.994 0 50 DFAA CCOC(=O)c1n[nH]c([C@@H](CC(C)C)N[C@H](C)CC2CC2)n1 585116671 FAYFDGRHSOYELA-DGCLKSJQSA-N 308.426 2.847 0 50 DFAA O=C(NC1(CO)CCSCC1)c1cccc2cccc(O)c12 585135599 SASSPKGPYVVITG-UHFFFAOYSA-N 317.410 2.533 0 50 DFAA C[C@@H](CN(C)CC(=O)NC1CCCCCCC1)CN1CCCC1 1529105534 FMYKWBQABCPIBZ-KRWDZBQOSA-N 323.525 2.879 0 50 DFAA CC1(C)CCc2nnc(CNC(=O)OCc3ccccc3)n2C1 1616038947 PXEHKTDDCDKHQM-UHFFFAOYSA-N 314.389 2.677 0 50 DFAA O=C(CCn1cncn1)N[C@@H]1CCCc2c(F)cc(Cl)cc21 1615003503 QGYLIMMDJAJVSK-CQSZACIVSA-N 322.771 2.655 0 50 DFAA Cn1ccc(C2CCN(c3ncccc3Cl)CC2)cc1=O 1772807048 IHIGYRUFMLFYKJ-UHFFFAOYSA-N 303.793 2.818 0 50 DFAA O=C(NCCc1ccco1)[C@H]1CC(CCc2ccccc2)=NO1 12036080 NBTSMODAXDWQNB-QGZVFWFLSA-N 312.369 2.716 0 50 DFAA CC(C)CSc1nnc(CCNC(=O)C2CCCCC2)n1C 12130282 KSAVIWQGAXWOSR-UHFFFAOYSA-N 324.494 2.802 0 50 DFAA Cc1ccc2[nH]c(C)c(CN3C[C@H](C)O[C@H](C)C3)c(=O)c2c1 13402186 GNGNHFVANSURRE-BETUJISGSA-N 300.402 2.754 0 50 DFAA Cc1cc(C(=O)N(C)c2ccccc2)ccc1NS(C)(=O)=O 13674678 VGQLRXADCIUCEE-UHFFFAOYSA-N 318.398 2.643 0 50 DFAA O=C1CCN(C(=O)c2cccs2)CCN1Cc1ccccc1 14985909 GCGYCAATXSXBAL-UHFFFAOYSA-N 314.410 2.623 0 50 DFAA O=C(NC1CC1)C1CCN(Cc2c(F)cccc2Cl)CC1 16606380 GHORGPVSPKXISC-UHFFFAOYSA-N 310.800 2.970 0 50 DFAA O=C(CN1CCOCC1)Nc1ccc(Oc2ccccc2)cc1 19373569 HPHDDBBUBPLLKJ-UHFFFAOYSA-N 312.369 2.750 0 50 DFAA CC1(C)C[C@H](O)CCN(C(=O)CNc2cccc(Cl)c2)C1 654117957 VUXPDMCLMRNJLA-CQSZACIVSA-N 310.825 2.761 0 50 DFAA Cc1cnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)nc1C 301882651 ITBMOACDGMSFEW-MRXNPFEDSA-N 324.428 2.740 0 50 DFAA CCCc1ccc(Cl)c(S(=O)(=O)Nc2ncccn2)c1 225435590 LVPLPULSLGAZCQ-UHFFFAOYSA-N 311.794 2.883 0 50 DFAA CCn1cc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)cn1 114241664 OJUHQHHSNKSHPW-MRXNPFEDSA-N 310.401 2.528 0 50 DFAA CC(C)c1noc2ncc(C(=O)N3CCC[C@@H]([C@H](C)N)C3)cc12 156486013 LYWZAJAXAFCWJR-NWDGAFQWSA-N 316.405 2.546 0 50 DFAA CN(c1ccccc1F)S(=O)(=O)c1cnn(C2CCC2)c1 901884309 MZOSRQMDIBDIBW-UHFFFAOYSA-N 309.366 2.572 0 50 DFAA Cc1cnc(C)c(N2CCC[C@]3(CCc4cnc(C)nc43)C2)n1 1704336837 RVDUBIOTIAQWIS-SFHVURJKSA-N 309.417 2.676 0 50 DFAA O=C(NC1CC1)N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 363307776 VWFKCGHRWRXIGP-IBGZPJMESA-N 313.445 2.847 0 50 DFAA Cc1nc([C@@H]2CCCN2C(=O)Cc2cncc3ccccc23)n[nH]1 2325781307 BRRXSIPXPXKZQB-INIZCTEOSA-N 321.384 2.568 0 50 DFAA CC(=O)N1Cc2ccc(NCc3cccn4ccnc34)cc2C1 2325854338 YNYYJWCMSOMDOT-UHFFFAOYSA-N 306.369 2.809 0 50 DFAA Cc1cc(C)nc(SC2=CS(=O)(=O)c3ccccc32)n1 90004 GHDWATLKCSGCJB-UHFFFAOYSA-N 304.396 2.971 0 50 DFAA CCOC(=O)[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O 389288 BRHRNROXVLYTQV-HNNXBMFYSA-N 308.337 2.618 0 50 DFAA COc1cc(NC(=O)c2c(OC)cccc2OC)cc(OC)c1 457710 WYUQBCIBMWSVAJ-UHFFFAOYSA-N 317.341 2.973 0 50 DFAA Cn1c(=O)c2c3c(sc2n2cnnc12)C[C@H](C(C)(C)C)CC3 459094 AZZJYDCCIOUUEY-SECBINFHSA-N 316.430 2.794 0 50 DFAA Fc1ccc(N2CCN(C(=S)NC3CCCC3)CC2)cc1 467721 ZMJPNDWSXQOTMT-UHFFFAOYSA-N 307.438 2.765 0 50 DFAA CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccccc1 994905 AYLZZJGWMCMKFX-CQSZACIVSA-N 316.382 2.510 0 50 DFAA CC1=NN(C(=O)c2ccncc2)[C@](O)(c2ccc(Cl)cc2)C1 1168375 CYTQHEIHDFJRFQ-MRXNPFEDSA-N 315.760 2.802 0 50 DFAA CCOC(=O)c1c[n+](CC)c2ccc3[nH]cnc3c2c1Cl 2532340 KXKVGUYDPJOKCN-UHFFFAOYSA-O 304.757 2.854 0 50 DFAA Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)O 2549546 DJOJMQVILNQNNZ-SCSAIBSYSA-N 301.062 2.618 0 50 DFAA O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1C(=O)O 3889348 UGNXLOBQSOPLBJ-UONOGXRCSA-N 309.793 2.890 0 50 DFAA CC1(C)CC(NC(=O)C(Cl)(Cl)Cl)CC(C)(C)N1 4442280 HLEDWYKSKNBHOX-UHFFFAOYSA-N 301.645 2.782 0 50 DFAA O=C(Cn1nc(-c2ccccc2)ccc1=O)OCc1ccccc1 5388163 SRXVIRYGCSOTDL-UHFFFAOYSA-N 320.348 2.654 0 50 DFAA Cc1nc(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)sc1C 8856554 UFJVFFSFEDKRCA-LSDHHAIUSA-N 308.403 2.820 0 50 DFAA C[C@@H]1CCCCN1C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1 12301204 JCCDWJMUBPMJBL-CYBMUJFWSA-N 323.400 2.822 0 50 DFAA C[C@H](NC(=O)c1cc(COc2ccc(F)cc2F)[nH]n1)C1CC1 12433418 QUAXENCEXYIHRJ-VIFPVBQESA-N 321.327 2.795 0 50 DFAA C[C@H]1CN(CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H](C)O1 12635854 RUZKNNPQFKRHAI-AOOOYVTPSA-N 300.761 2.527 0 50 DFAA O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1ccncc1 12717545 QSCHDUSBRGDZGJ-GOSISDBHSA-N 309.413 2.519 0 50 DFAA O=C(CCc1cnccn1)N1CCO[C@H](CC2CCCCC2)C1 15078478 JIUDISFCDWLBJS-QGZVFWFLSA-N 317.433 2.607 0 50 DFAA CCc1cccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)c1 16247356 JDCWFOOXOHMHBL-IYBDPMFKSA-N 307.434 2.754 0 50 DFAA COc1cc(S(=O)(=O)NCc2cccs2)c(C)cc1C 16527373 XQTCFPLATYSXON-UHFFFAOYSA-N 311.428 2.852 0 50 DFAA CCC(=O)c1ccccc1OCCCN1CCN(CC)CC1 20389731 OEEJIIGYOBSAOL-UHFFFAOYSA-N 304.434 2.686 0 50 DFAA NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 23280572 LJFKAWQGWFKYSG-INIZCTEOSA-N 306.409 2.955 0 50 DFAA O=C(CCN1CCCCCCC1)NCCCNc1cccnc1 55413938 FFDGDMUYHUUUDH-UHFFFAOYSA-N 318.465 2.656 0 50 DFAA Cc1nc(-c2ccc(CN3Cc4ncccc4C3=O)cc2)no1 65371182 HXMOIJLHMVQVIV-UHFFFAOYSA-N 306.325 2.596 0 50 DFAA c1ccc([C@@H](CCn2cncn2)NC2CCSCC2)cc1 65422379 PHWSUWKJZHJCHO-MRXNPFEDSA-N 302.447 2.895 0 50 DFAA Cc1n[nH]c(SCC(=O)NCc2oc3ccccc3c2C)n1 73727851 JAIBICGGCDYOLM-UHFFFAOYSA-N 316.386 2.576 0 50 DFAA CCc1nc(N2CCC(Oc3ccccc3OC)CC2)no1 77354274 SUAITZZLRBTJIY-UHFFFAOYSA-N 303.362 2.688 0 50 DFAA CN(C)[C@H]1CCCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 82087561 KVJIQBRYFMWLGJ-KRWDZBQOSA-N 312.413 2.919 0 50 DFAA Cc1nnsc1CN1C[C@](C)(c2ccccc2)CCC1=O 91830257 JKYCNNASAKJHNN-MRXNPFEDSA-N 301.415 2.927 0 50 DFAA Cc1cccc([C@H](C(=O)N(C)CCC2(O)CCCC2)N(C)C)c1 91848079 NUINPICGECLCCX-QGZVFWFLSA-N 318.461 2.751 0 50 DFAA Cc1ccc(C)c2c(C)c(C(=O)NC[C@@H](O)c3ccccn3)[nH]c12 91997754 MWQSBVSZPWKCGG-OAHLLOKOSA-N 323.396 2.952 0 50 DFAA O=C([C@H]1CCCc2c1[nH]c1ccccc21)N1CCc2[nH]cnc2C1 96152995 JNSYOXDXTLWZGT-AWEZNQCLSA-N 320.396 2.896 0 50 DFAA O=C(O)Cn1nc(C2CCCC2)nc1CCOc1ccccc1 97568927 BHYFLXSGFCMYSC-UHFFFAOYSA-N 315.373 2.642 0 50 DFAA Cc1nn(CC(=O)N[C@@H]2CCCc3occc32)c(C)c1Cl 129306031 NRWMBOPGKZMDGI-GFCCVEGCSA-N 307.781 2.940 0 50 DFAA CN[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 133012142 GXVVDIMMSQZINF-LBPRGKRZSA-N 302.349 2.910 0 50 DFAA C[C@H]1CN(C(=O)c2ccn(C3CCCC3)n2)c2cccnc2O1 158444827 HVLSADJCVTZQQX-LBPRGKRZSA-N 312.373 2.821 0 50 DFAA C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1cccs1 170047897 UUSKYAJEKMXRQN-YPMHNXCESA-N 303.383 2.664 0 50 DFAA CCO[C@@H]1C[C@H](N(C)CC(=O)N2CCC(C)CC2)C12CCCC2 170637247 WQFOKVOVJGKYKI-DLBZAZTESA-N 322.493 2.915 0 50 DFAA c1ccc(-c2nc([C@H]3CCCN(CCn4ccnc4)C3)n[nH]2)cc1 181285726 PSYGSGIBKDATLG-INIZCTEOSA-N 322.416 2.548 0 50 DFAA O=C(CCN1CCC(N2CCCCC2=O)CC1)c1ccccc1 182468827 QNNFDVMJBWWIGQ-UHFFFAOYSA-N 314.429 2.736 0 50 DFAA CCN(C)C(=O)CN[C@H]1CCCSc2ccc(OC)cc21 188488980 TVJJNJAFFVGKPR-AWEZNQCLSA-N 308.447 2.690 0 50 DFAA Cc1ncc(CNC(=O)NCCO[C@H]2CCCC[C@H]2C)s1 194410769 PEQFLQVORSDQJB-RISCZKNCSA-N 311.451 2.846 0 50 DFAA CN(Cc1c(F)ccc(Cl)c1F)CC1(CO)CCOCC1 215482903 FEFOHVGIRPHPGL-UHFFFAOYSA-N 319.779 2.839 0 50 DFAA CN(Cc1ccc2nonc2c1)C(=O)c1cccc2c1ccn2C 215531167 VXQNLHZXIUPGLY-UHFFFAOYSA-N 320.352 2.987 0 50 DFAA Cc1nc([C@@H](C)N(C)C(=O)c2n[nH]c3c2CCC3)c(C)s1 215841164 WFRBWCOBLISFHP-MRVPVSSYSA-N 304.419 2.805 0 50 DFAA O=C(c1cccc(Cl)c1Cl)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 223132113 QZANSKZLQBBZOT-WOFXILAISA-N 300.185 2.836 0 50 DFAA Cc1ccc(-c2noc(Cn3c(=O)n(C)c4ccccc43)n2)cc1 226095271 WZQRLKXQTPNRKI-UHFFFAOYSA-N 320.352 2.747 0 50 DFAA C[C@@H](CN(C(=O)c1cc2ccccc2n1C)C1CC1)C(=O)O 237469658 VHJBFDBZYSSRCG-NSHDSACASA-N 300.358 2.504 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1 238082506 YENCCHUVOAVFAY-NSHDSACASA-N 307.777 2.695 0 50 DFAA C[C@H](Cc1cnccn1)N(C)Cc1nccn1Cc1ccccc1 252495515 ORXKPBVCRVUPGI-MRXNPFEDSA-N 321.428 2.784 0 50 DFAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1ccc2[nH]ncc2c1 252513858 AJIYSRKKNKTIAZ-KBRIMQKVSA-N 314.433 2.864 0 50 DFAA CC(=O)N1CCC[C@H](C(=O)Nc2ncccc2-c2ccccc2)C1 272644266 ZPPVJAVKAUTABS-INIZCTEOSA-N 323.396 2.946 0 50 DFAA Cc1ncc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)s1 275696009 NDCQWCWMDBMBAF-MRXNPFEDSA-N 316.474 2.991 0 50 DFAA CN(C)C[C@H](NC(=O)Nc1ccncn1)c1ccc(Cl)cc1 282740296 UDPZXXOBQYSWBH-ZDUSSCGKSA-N 319.796 2.554 0 50 DFAA Cc1cccc(S(=O)(=O)N2CCCC[C@H]2c2cc[nH]n2)c1 285452145 YEAPGKCMIODERD-HNNXBMFYSA-N 305.403 2.634 0 50 DFAA c1nc2c(c(N3CC[C@@H](n4cnc5c4CCCC5)C3)n1)CCCC2 299743208 KBCVJDZRXDKARE-CQSZACIVSA-N 323.444 2.882 0 50 DFAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCCN1CCCCCC1 299793575 IZEICPZPDHOYGO-OAHLLOKOSA-N 321.469 2.692 0 50 DFAA CC[C@@H]1COCCN1C(=O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 328604795 LAZFAUOAFTZPOU-DDUZABMNSA-N 319.376 2.503 0 50 DFAA CCc1nc2c(s1)[C@H](NCc1ccnc(N(C)C)n1)CCC2 331803453 MQMPSLXOKXACAR-GFCCVEGCSA-N 317.462 2.729 0 50 DFAA OC[C@]1(c2ccccc2)CCN(c2ncnc3c(F)cccc23)C1 360034339 YRTMGFBBBHYEDQ-IBGZPJMESA-N 323.371 2.909 0 50 DFAA CCn1ccnc1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 365867346 SQLLWPYDAFWLRY-SFHVURJKSA-N 311.385 2.565 0 50 DFAA O=C(c1ccnc2ccncc12)N1CC[C@@H](C2CCOCC2)C1 376960870 MPJJSSZUHZUAIP-CQSZACIVSA-N 311.385 2.519 0 50 DFAA COCC(C)(C)N1CCN(c2ncc(C(F)(F)F)s2)CC1 425281951 QHJQDQIMKHTKQQ-UHFFFAOYSA-N 323.384 2.709 0 50 DFAA CC[C@H](NC(=O)c1cccc(OCCN)c1)c1ccc(C)cn1 426406078 JHZOKFMYFLLWBA-INIZCTEOSA-N 313.401 2.609 0 50 DFAA COc1cccc2ncn(CCOCc3ccccc3)c(=O)c12 584887848 QIBKCLFWTROWQZ-UHFFFAOYSA-N 310.353 2.622 0 50 DFAA CC[C@H](c1ccccc1)c1nnc2n1CC[C@@H](C(=O)OC)CC2 601043575 DODANLWLYRTYPF-LSDHHAIUSA-N 313.401 2.946 0 50 DFAA Cc1c(NC(=O)[C@]2(C)CCOC2)cnn1-c1ccc(F)cc1F 650898986 UBOWGFBAFMNGKC-MRXNPFEDSA-N 321.327 2.824 0 50 DFAA Cc1ccc(S(=O)(=O)Cc2cccc3c2CCNC3)cc1 663380339 VGEPTNXIRXQNSO-UHFFFAOYSA-N 301.411 2.615 0 50 DFAA Cc1ccc2cc(C(=O)N3CC(Cc4cnn(C)c4)C3)ccc2n1 825209156 FUBHVLQWTVURJS-UHFFFAOYSA-N 320.396 2.591 0 50 DFAA O=C1CCCCN1CCCc1ncnn1-c1cccc2c1CCC2 828263825 VCQAEIPKTUZAQX-UHFFFAOYSA-N 324.428 2.701 0 50 DFAA Cc1nn(C)c(Cl)c1C(=O)N1CCOc2ccccc2[C@@H]1C 857683101 XUPHAJPWTRXUBL-NSHDSACASA-N 319.792 2.978 0 50 DFAA CC1(C)CC[C@H](CO)N(Cc2ccc(N3CCCC3)nc2)C1 871596254 ADCWRWNMUQOLKC-MRXNPFEDSA-N 303.450 2.665 0 50 DFAA CCOc1ncccc1-c1noc(/C=C/[C@H]2CCCNC2)n1 872176137 NORBUQHRSVUXCL-ABZNLYFFSA-N 300.362 2.543 0 50 DFAA Cc1ccnc(C[C@@H]2CC[C@H](CN3C[C@H]4CC=CC[C@H]4C3)O2)n1 952854510 BQPGSNUSQAIGFH-XWTMOSNGSA-N 313.445 2.773 0 50 DFAA CN(Cc1cccnc1)C[C@H]1CC[C@@H](Cc2nccs2)O1 952854557 HAJWMFQTDBVPSW-LSDHHAIUSA-N 303.431 2.760 0 50 DFAA COc1ccc(/C=C/CN(CCN(C)C)C[C@H]2CCCO2)cc1 952965751 AHDCRPJSMCESKB-FHHGHWCOSA-N 318.461 2.751 0 50 DFAA Cc1cccc(-c2noc([C@@H]3CS[C@]4(C)CCC(=O)N34)n2)n1 952993793 JZLSJLISZSKUJD-XHDPSFHLSA-N 316.386 2.567 0 50 DFAA Cc1nc(N2CCN(CC(C)C)[C@@H](CCO)C2)ccc1Cl 1529145400 ITLFPCRWNNLCAE-AWEZNQCLSA-N 311.857 2.572 0 50 DFAA CCOc1ccc(CC(=O)Nc2c3c(nn2C)CSC3)cc1 1529151891 GTXKLRHZBAXLSY-UHFFFAOYSA-N 317.414 2.747 0 50 DFAA COc1cnc(-c2ncc(C(F)(F)F)cc2Cl)nc1O 1775955842 LHSBPTZWKUCBAZ-UHFFFAOYSA-N 305.643 2.925 0 50 DFAA CC1CCC(CC(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 1775961034 OKQHYAJTXOAITH-GNFNDJEDSA-N 323.433 2.731 0 50 DFAA CCn1c(S[C@H](C)c2nc[nH]n2)nnc1-c1cccs1 1775987024 BVHDTNSBXHYNOD-MRVPVSSYSA-N 306.420 2.998 0 50 DFAA CC(C)(C)c1nnc(SCc2ncoc2C(F)F)n1N 1775992867 WNUVCKYAAMDIPF-UHFFFAOYSA-N 303.338 2.507 0 50 DFAA C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc(C(F)(F)F)n[nH]1 1776003847 IHUKPGQKDGQGQO-SQFXPLBJSA-N 311.373 2.626 0 50 DFAA Cc1cc(COCC(=O)N2CCOc3c(Cl)cccc32)no1 1875274275 AVYHNBMWXPPVNP-UHFFFAOYSA-N 322.748 2.579 0 50 DFAA Cc1cc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)O)[nH]c1C 2325769421 XAZJTSDLWMLWDG-KRWDZBQOSA-N 318.348 2.586 0 50 DFAA C[C@@H](NC(=O)N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(F)cc1 2356152638 SOYVQUMWWPISJD-MPKXVKKWSA-N 308.353 2.829 0 50 DFAA Cc1cc(O)c(C2=NCCS[C@H](c3cccnc3)C2)c(=O)o1 187803 HYRJBLOKXKEYNW-AWEZNQCLSA-N 316.382 2.716 0 50 DFAA C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccccc1 193297 VFXNKINWQFISSJ-QWHCGFSZSA-N 322.364 2.549 0 50 DFAA COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 444871 HDOPRQFFTGPACG-UHFFFAOYSA-N 312.369 2.784 0 50 DFAA CCOC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C 455021 MAUARNLUDJTUHZ-LLVKDONJSA-N 304.342 2.994 0 50 DFAA CCCOc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1 2049750 VOPOEUWAHZYYSZ-UHFFFAOYSA-N 315.398 2.997 0 50 DFAA C[C@@H](NC(=O)CCC(=O)Nc1ccccc1O)c1ccccc1 2829072 JFPYVSGALWQPHI-CYBMUJFWSA-N 312.369 2.988 0 50 DFAA Clc1ccc(OCCOCCn2cncn2)cc1Cl 2845252 ZBISMKSOJSWOEW-UHFFFAOYSA-N 302.161 2.681 0 50 DFAA CCOC(=O)c1cn(CCF)c2c(F)c(F)c(F)cc2c1=O 3883039 HDGNABAQEHQIFQ-UHFFFAOYSA-N 317.238 2.565 0 50 DFAA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)s1 8377000 HXXPKAXWEAMRHP-UHFFFAOYSA-N 324.427 2.559 0 50 DFAA COc1cccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(C)=O)c1 22780944 ZNDVEFQIXAWQSS-KZNAEPCWSA-N 303.402 2.910 0 50 DFAA c1nc(N[C@H]2CCCOC2)cc(N2CCc3sccc3C2)n1 328633461 MBCLXGXIQOZWST-ZDUSSCGKSA-N 316.430 2.692 0 50 DFAA Cc1ccc(CN2CCN(C(=O)CCC3CC3)[C@H](C)C2=O)cc1 55307351 XYNPMPWLPYVHRW-OAHLLOKOSA-N 314.429 2.745 0 50 DFAA CCc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCO2)s1 62193434 WOCSRVGLFCBWKW-LBPRGKRZSA-N 317.476 2.890 0 50 DFAA CC[C@H]1COCCN1C(=O)Cc1cccc(C(F)(F)F)c1 115305572 ADAQACDCBXHKQG-ZDUSSCGKSA-N 301.308 2.885 0 50 DFAA CNC(=O)CC[C@H]1CCCCN1C(=O)NC1CCCCCC1 332241026 ACLYONHEXPPQLY-OAHLLOKOSA-N 309.454 2.800 0 50 DFAA O=C(N[C@H]1CCCCC12CCCC2)[C@H]1CCc2nn[nH]c2C1 332897077 LOLBXEYXRAYJPR-WFASDCNBSA-N 302.422 2.529 0 50 DFAA CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 36056309 VFCCNJCFFPULCZ-NCOADZHNSA-N 322.788 2.558 0 50 DFAA Cc1ncsc1CNC(=O)[C@@H]1CCN(c2ccccc2)C1 448911659 QDUCIUGIEHIZLP-CYBMUJFWSA-N 301.415 2.594 0 50 DFAA C[C@H](N[C@H](C)COc1ccccc1)[C@H](O)c1ccc(O)cc1 3830970 BMUKKTUHUDJSNZ-GLJUWKHASA-N 301.386 2.871 0 50 DFAA biogenic,world C[C@H](CC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)n1cccc1 252486284 HRNFTCLOPRCMGS-KBXIAJHMSA-N 304.390 2.684 0 50 DFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](C)CC[C@@H]1CCCO1 241173097 KGAXPONENXRVAD-FHIRATQRSA-N 319.401 2.679 0 50 DFAA COc1ccc2cc(CN(C)C3CCSCC3)c(=O)[nH]c2c1 216157251 CDRYZJJOOPXVGV-UHFFFAOYSA-N 318.442 2.864 0 50 DFAA Clc1scnc1-c1noc([C@H]2CCCc3nccn32)n1 361360052 KTDCVVZILNDKJT-SSDOTTSWSA-N 307.766 2.969 0 50 DFAA CN1Cc2ccc(CN(C)Cc3cccc4nonc34)cc2C1 215599257 JNFJKTIONJTURF-UHFFFAOYSA-N 308.385 2.800 0 50 DFAA O=C(c1ccccc1N1CCCCC1)N1CCOCC(F)(F)C1 367976807 FMDKAMUFUJVERL-UHFFFAOYSA-N 324.371 2.785 0 50 DFAA COC(=O)c1cccc(Nc2ccc(CC(=O)N(C)C)cc2)c1 1173963777 QUUOOLCSLVBOKC-UHFFFAOYSA-N 312.369 2.848 0 50 DFAA Cc1nn(C)c2ncnc(NCCc3ccccc3Cl)c12 72480404 ZYRLJTBXROZIAZ-UHFFFAOYSA-N 301.781 2.980 0 50 DFAA CCc1cnc(C)nc1N[C@@H]1CC(=O)N(CC2CCCCC2)C1 72129738 SHRWMPFDKXMQAP-MRXNPFEDSA-N 316.449 2.941 0 50 DFAA O=C(C[C@@H]1CCCC(=O)N1)Nc1cc(C(F)(F)F)ccc1F 289490986 YHPWPTHADGNZQD-VIFPVBQESA-N 318.270 2.842 0 50 DFAA O=C(O)C1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 178171716 FLYBUNFBDJRBKI-UHFFFAOYSA-N 318.760 2.825 0 50 DFAA COC(=O)C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1 178796974 BSIOIKPKDVMSGK-GFCCVEGCSA-N 315.291 2.873 0 50 DFAA Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H]1COc2ccccc2C1 179145479 JVOAWCHBBDOMRV-NHYWBVRUSA-N 314.385 2.905 0 50 DFAA Cc1cccc(NC[C@@H]2CCN(Cc3cccc4nccn34)C2)n1 179989129 BWMNFNLETLJUOD-INIZCTEOSA-N 321.428 2.972 0 50 DFAA CC(C)[C@H]1C=CCN1C(=O)c1cccc(-c2cnc(N)cn2)c1 426471752 ZMYZFRFFVLHSLH-MRXNPFEDSA-N 308.385 2.762 0 50 DFAA COC[C@H]1CCN1C(=O)c1csc(-c2ccc(F)c(F)c2)n1 294226205 FMWJXGDTSUQKKH-SNVBAGLBSA-N 324.352 2.949 0 50 DFAA C[C@@H](NC(=O)C1(O)CCCCC1)[C@@H]1OCCc2sccc21 294738594 UVZGRURQWDWXIW-RISCZKNCSA-N 309.431 2.562 0 50 DFAA CN(CCCSc1ccccc1)C(=O)NCc1cnn(C)c1 426531597 MIUKIHQGHHZFNS-UHFFFAOYSA-N 318.446 2.744 0 50 DFAA Cc1ccc(C(=O)N2CCC(c3ncon3)CC2)n1C(F)F 426429045 PWWVEBVRDXNXCU-UHFFFAOYSA-N 310.304 2.594 0 50 DFAA CCCCn1nc(COc2ccccc2)nc1Cn1ccnc1 91645947 VLJQFUGGKKSQDL-UHFFFAOYSA-N 311.389 2.902 0 50 DFAA CCCSCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2C)C1 92045606 CIVPNVYQHOEGQC-LSDHHAIUSA-N 321.442 2.765 0 50 DFAA CCN(C)c1cc(C[C@H]2COc3cc(OC)ccc3C2)ncn1 91587423 LQHRGBYYUWMZDX-ZDUSSCGKSA-N 313.401 2.735 0 50 DFAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CC[C@@H](N)C1 237169989 XEWBKCSLJDALSE-ZYHUDNBSSA-N 316.323 2.671 0 50 DFAA Cc1oncc1S(=O)(=O)N1CCC[C@@](C)(c2ccccc2)C1 91690288 GCYXIINRYHMVSR-MRXNPFEDSA-N 320.414 2.725 0 50 DFAA CCO[C@H](C)C(=O)Nc1cc(CCc2ccccc2C)n[nH]1 182896393 PICNDRVMIJHCEM-CYBMUJFWSA-N 301.390 2.867 0 50 DFAA COC[C@@H]1CCN(CCC(=O)Nc2ccc(F)c(Cl)c2)C1 244691850 JKBFXSRZYLRILU-LLVKDONJSA-N 314.788 2.776 0 50 DFAA Cc1ccc2c(OCC(=O)Nc3cc(C)nn3C)cccc2n1 184255764 GSORLYKZHKYOOP-UHFFFAOYSA-N 310.357 2.603 0 50 DFAA CC(C)n1cc(C(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)cn1 299754492 XZRHUZAGEQSYBJ-WBVHZDCISA-N 318.465 2.801 0 50 DFAA biogenic O=C(NCc1cccc(F)c1)NCc1n[nH]c2c1CCCCC2 828032030 IYGBFTROTOJJSB-UHFFFAOYSA-N 316.380 2.817 0 50 DFAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccncc3Cl)C2)o1 952890987 QQRCNBGVIADQMN-MNOVXSKESA-N 320.780 2.568 0 50 DFAA Cc1c(C(=O)NC[C@H](C)c2ncc[nH]2)c(O)nc2ccccc12 1875335515 QRFQTPUFFIYVMG-JTQLQIEISA-N 310.357 2.505 0 50 DFAA C=CC(=O)N1CCC(C(=O)NCc2c(F)cccc2Cl)CC1 1875369463 PORLXDMNYALNLR-UHFFFAOYSA-N 324.783 2.520 0 50 DFAA C[C@H]1CN(CCOc2ccccc2Br)C[C@@H](C)O1 16247614 CDNZJYMKOWBWRX-TXEJJXNPSA-N 314.223 2.937 0 50 DFAA CC1(O)CN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 170614773 DRSKZOKNWIVRTC-UHFFFAOYSA-N 302.296 2.780 0 50 DFAA Cc1cc(NCc2ccccc2CN2CCC[C@H]2CO)ccn1 170614932 CYZKRDVCZNCSKJ-IBGZPJMESA-N 311.429 2.959 0 50 DFAA CC(C)(C(=O)N1CCN2CCCC[C@H]2C1)c1cccc(F)c1 172417353 JQHGCWZUZXERGJ-INIZCTEOSA-N 304.409 2.800 0 50 DFAA CC[C@H](Nc1cccnc1Cl)C(=O)NCCc1ccccn1 585121989 IXLATKLPMQSKQH-ZDUSSCGKSA-N 318.808 2.679 0 50 DFAA C[C@H](CCN(C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1 194067633 QCGBUGVMCPYLPK-OAHLLOKOSA-N 324.490 2.536 0 50 DFAA CCS(=O)(=O)C1CCN(Cc2coc3ccccc23)CC1 195163165 KIEYTNJPUOVJKY-UHFFFAOYSA-N 307.415 2.832 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2ccc([C@H]3CCCOC3)cc2)C1 668266954 AVDJJTJHYPYMFM-HOTGVXAUSA-N 317.385 2.517 0 50 DFAA O=C(Cn1cccc1)N1CCC([C@H](O)c2cccs2)CC1 1506400948 HDPQUNQOIZAUJM-INIZCTEOSA-N 304.415 2.522 0 50 DFAA O=C(Nc1ccc(C2CC2)cn1)[C@@H]1CC(=O)N(C2CCCC2)C1 1615618006 MPNGAYCHXLODMD-CQSZACIVSA-N 313.401 2.689 0 50 DFAA c1cncc(CN2CCC3(CC2)CNCc2ccccc2O3)c1 1616036628 OUFCLBZIPLCFFS-UHFFFAOYSA-N 309.413 2.598 0 50 DFAA Cc1cnc(Cl)cc1C(=O)Nc1ccc2nc(O)n(C)c2c1 1634784193 BGIQOBNXLJRWQA-UHFFFAOYSA-N 316.748 2.888 0 50 DFAA O=C(CCCOc1ccccc1)N1CCC[C@H](C2(O)CC2)C1 1772819141 FWDNNVWSOXKLHP-HNNXBMFYSA-N 303.402 2.609 0 50 DFAA FC(F)(F)COc1ncccc1I 12359584 GUUWZDBHSBLCBA-UHFFFAOYSA-N 303.021 2.627 0 50 DFAA COc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1 13208706 NXZKRIICOZCMLN-UHFFFAOYSA-N 311.345 2.737 0 50 DFAA C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)Nc2ccc(CC(N)=O)cc2)C1 110597360 NTWIYYPKSKLLLW-XJKCOSOUSA-N 318.417 2.637 0 50 DFAA O=C(NCc1ccccc1Cl)c1cncc(N2CCCC2)n1 630411875 LMDUCICJCLGZHD-UHFFFAOYSA-N 316.792 2.660 0 50 DFAA Cc1occc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 331556790 JDHGEZKOHPWLTE-NHYWBVRUSA-N 307.296 2.814 0 50 DFAA COc1ccc2sc(C(=O)N3CCC(N)CC3)c(C)c2c1 237324687 ISOHZTUDXCTRKP-UHFFFAOYSA-N 304.415 2.782 0 50 DFAA C[C@H](NC(=O)c1ccc(C(=O)O)s1)[C@@H]1COc2ccccc21 237601973 MRFZIROFVSSFQH-ONGXEEELSA-N 317.366 2.741 0 50 DFAA CN(Cc1cn[nH]c1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 669604913 CAKHQCBIYUEIRR-UHFFFAOYSA-N 324.171 2.636 0 50 DFAA COc1cccc2c(C)cc(SCCN3CCOCC3)nc12 19820843 QEKNETSPRWZOCP-UHFFFAOYSA-N 318.442 2.976 0 50 DFAA C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(C2CC2)on1 263017968 SWXNFQMWOOJROY-LLVKDONJSA-N 314.341 2.668 0 50 DFAA O=C(NCCc1csc2ccccc12)N1CCC[C@@H]1CO 265505793 YEYLKLWYYSBQKF-CYBMUJFWSA-N 304.415 2.610 0 50 DFAA CC1=CC2(CCN(C(=O)c3cn4ccsc4n3)CC2)OCC1 1704303189 XBQDJQIZBZJUKZ-UHFFFAOYSA-N 317.414 2.737 0 50 DFAA CC(C)C[C@H]1CN(C)CCN1C(=O)Nc1cn(C)nc1C(C)C 931249168 OHRSTIZMGFMITA-AWEZNQCLSA-N 321.469 2.738 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1csc(-c2ccsc2)n1 237629153 YWPIHNQTRGHHJL-GXSJLCMTSA-N 307.444 2.823 0 50 DFAA CCCN(CCC)C(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 202700 PCSKXAUYICVDHF-GUYCJALGSA-N 311.422 2.526 0 50 DFAA biogenic Cc1cccc2c1C(=O)NCCN2C(=O)C1CC[C@@H]2C[C@H]2CC1 2325767620 DOBVNZMHESADOI-HUUCEWRRSA-N 312.413 2.898 0 50 DFAA COc1cc2c(N[C@H]3C[C@@H]4COC[C@@H]4C3)ncnc2cc1F 2325784257 MPUMXTBRGRFKNV-URLYPYJESA-N 303.337 2.614 0 50 DFAA COCCc1nc(C[C@H]2CC[C@H]2OC)n(-c2ccc(F)cc2)n1 2325849460 PXPVJCMIVAQWPK-IUODEOHRSA-N 319.380 2.563 0 50 DFAA CC(C)(CNC(=O)c1ccc2cc[nH]c2n1)C1CCOCC1 887389906 OHYGCPNECOFUHC-UHFFFAOYSA-N 301.390 2.746 0 50 DFAA Cc1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)O)s3)C2)c1 911037791 DIJHGFKEEPBFBF-GFCCVEGCSA-N 316.382 2.779 0 50 DFAA CC(=O)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1 456344 QNFRISZMPUBHNG-UHFFFAOYSA-N 312.394 2.945 0 50 DFAA CCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1 528537 DFGHHFFLULKYJW-UHFFFAOYSA-N 323.824 2.747 0 50 DFAA CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1F 528767 ZCRHTRDFEQDRIU-UHFFFAOYSA-N 301.383 2.789 0 50 DFAA aggregator O=C(O)c1[nH]c(C(=O)O)c(CC(F)(F)F)c1CC(F)(F)F 2519546 GUADTFMPOQZXOE-UHFFFAOYSA-N 319.157 2.621 0 50 DFAA O=C(NCCOCc1cccc(Cl)c1)c1cccnc1S 120916213 MGYLWTIETSEOMP-UHFFFAOYSA-N 322.817 2.970 0 50 DFAA CCO[C@H](CCNC(=O)N1CCC(=O)[C@H](C)C1)C1CCCC1 864094113 FZBQRDBQXZKYFM-CZUORRHYSA-N 310.438 2.592 0 50 DFAA Cc1c(OCC(=O)OC(C)C)ccc2c3c(c(=O)oc12)CCC3 4028031 JVFGOVGADBUNEC-UHFFFAOYSA-N 316.353 2.921 0 50 DFAA biogenic CC(=O)c1cccc(NC(=O)c2ncn(-c3ccccc3)n2)c1 4857813 GYXRMNRFOHPMMH-UHFFFAOYSA-N 306.325 2.722 0 50 DFAA O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC=CC[C@H]1C(=O)O 6742532 IWBLNQBOJPXBCV-VHSXEESVSA-N 306.387 2.627 0 50 DFAA O=C(NCc1ccccc1-n1ccnc1)c1ccc2c(c1)CCO2 55696440 PMXSGBUVXJZCDA-UHFFFAOYSA-N 319.364 2.737 0 50 DFAA CC(=O)CCc1ccc(OCCCCNCCN(C)C)cc1 20418865 JAOMEPOAUNSCKS-UHFFFAOYSA-N 306.450 2.518 0 50 DFAA c1ccc(-c2noc(-c3cccnc3N3CCOCC3)n2)cc1 21787719 QJZNPBRLGZQRAT-UHFFFAOYSA-N 308.341 2.635 0 50 DFAA Cc1nc(Cn2ccc(-c3cccc(-c4cnn(C)c4)c3)n2)no1 23506906 NZUQYRGNSPYZQK-UHFFFAOYSA-N 320.356 2.690 0 50 DFAA CC(=O)c1ccc(OCC(=O)N(C)CC(F)(F)F)c(Cl)c1 119453574 ZFINBHAZFAXGOS-UHFFFAOYSA-N 323.698 2.942 0 50 DFAA Cc1cccnc1CN(C)C1CCN(Cc2cccnc2)CC1 65404345 YOCBABNUVLITMX-UHFFFAOYSA-N 310.445 2.881 0 50 DFAA CN1CCN(Cc2cccc3ccnn23)[C@H](c2ccccc2)C1 1138804452 JXZNQNFMFRHMLR-IBGZPJMESA-N 306.413 2.823 0 50 DFAA CCC(CC)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)n1 331642526 QVDAMANEXHXHKB-KURKYZTESA-N 321.465 2.606 0 50 DFAA CN(Cc1ccccc1)C(=O)c1cn2c3c(cccc3c1=O)CC2 33088764 WLTAAAFGAHMBQT-UHFFFAOYSA-N 318.376 2.830 0 50 DFAA CCn1nc(C)c(-n2c(=S)[nH]c3ccccc3c2=O)c1C 6871150 ACZRRBVXMNZKFA-UHFFFAOYSA-N 300.387 2.882 0 50 DFAA COC[C@H](c1ccccn1)N(C)C(=O)c1csc(C(C)=O)c1 215409878 PZQAAJCGOCHNJD-CQSZACIVSA-N 318.398 2.805 0 50 DFAA C[C@@]1(CNC(=O)/C=C/c2nc3ccccc3s2)CCCO1 123238948 OPCWVKJKZBDVGH-WAVCKPEOSA-N 302.399 2.995 0 50 DFAA Cc1cc(F)cc(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)c1 175161438 PKDUGFZIUCVQCT-UHFFFAOYSA-N 321.373 2.814 0 50 DFAA c1ccc(-n2ncnc2CN2CCOCc3ccccc32)cc1 240454685 FYDAZASFGNVEEP-UHFFFAOYSA-N 306.369 2.804 0 50 DFAA O=C(CSc1ccc2nncn2n1)Nc1ccc(Cl)cc1 35686394 KHGYPNPWDFHIQA-UHFFFAOYSA-N 319.777 2.509 0 50 DFAA O[C@@H](C[C@@H]1COCCN1CCc1ccncc1)c1cccs1 241383207 MTIRBACQKRTCGZ-CVEARBPZSA-N 318.442 2.510 0 50 DFAA O=C(OCc1ccccc1)N1CCN[C@H](Cc2ccccc2)C1 39952239 XDIXUWJKXBJFHE-GOSISDBHSA-N 310.397 2.840 0 50 DFAA CNc1ccnc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)n1 71754763 KSLRVGMYHWAEEH-OAHLLOKOSA-N 312.417 2.966 0 50 DFAA Nc1cc(CN2CCC[C@H](OCc3ccccc3F)C2)ccn1 370031686 HPUNZEBSZCYBQY-INIZCTEOSA-N 315.392 2.984 0 50 DFAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1cc[nH]c1C 370206961 QWYTWTHLAYPKRK-LBPRGKRZSA-N 306.797 2.996 0 50 DFAA CC(C)c1ccc(C(=O)N2C[C@H](C)NC(=O)c3ccccc32)cn1 371687731 ZWELCQHKMVHKGZ-ZDUSSCGKSA-N 323.396 2.984 0 50 DFAA CC[C@H]1CN(Cc2csc(C(=O)OC)c2)CCN1C(C)C 72147493 QFXXFCCUDFJVPI-AWEZNQCLSA-N 310.463 2.839 0 50 DFAA O=C(O)C1CCN(C(=O)c2cccn2Cc2cccs2)CC1 178666004 VVOGSYURPNJLQV-UHFFFAOYSA-N 318.398 2.535 0 50 DFAA O=C(Cc1cccnc1)NCC1(N2CCCC2)CCCCC1 220709322 DWUPAGDRQASZNO-UHFFFAOYSA-N 301.434 2.539 0 50 DFAA CCN(C(=O)Cc1n[nH]c2ccccc12)[C@H]1CCOC(C)(C)C1 292668107 LWJMKAKPTXOLBO-ZDUSSCGKSA-N 315.417 2.912 0 50 DFAA CCc1cc2c(=O)n([C@@H](C)Cc3cnccn3)cnc2s1 43073328 YFWMDFHQUHEUNY-JTQLQIEISA-N 300.387 2.614 0 50 DFAA Cc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 20367785 LAOCMZPXJCNUQQ-UHFFFAOYSA-N 310.401 2.740 0 50 DFAA O=C([C@H]1CC=CCC1)N1CCC(OCc2cccnc2)CC1 82161924 BDIKHFHDBKHHGH-INIZCTEOSA-N 300.402 2.946 0 50 DFAA Cc1ccc2nc(C(=O)N(C)CC[C@H]3CCCCO3)c(F)n2c1 426547642 PWQPOORKGWEKMR-CYBMUJFWSA-N 319.380 2.813 0 50 DFAA C[C@]1(C(=O)O)CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 237778303 GUIGPIRCXXNMDC-AWEZNQCLSA-N 315.291 2.571 0 50 DFAA COCCCN1CC[C@@H](CNC(=O)Nc2cc(F)ccc2C)C1 96141875 WFUVGASIWOSQMB-AWEZNQCLSA-N 323.412 2.614 0 50 DFAA CCc1nc(C)c(CNC(=O)[C@H]2COc3ccccc3C2)s1 95519763 LONSGNYHVGEEGZ-CYBMUJFWSA-N 316.426 2.881 0 50 DFAA COc1ccc(C)c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1 95512141 OYTDQZVKBRPTKN-KRWDZBQOSA-N 303.406 2.563 0 50 DFAA CCOC1CCN(C(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1 91625933 FXZLGXJGUDLGCV-QGZVFWFLSA-N 304.434 2.625 0 50 DFAA COc1cc(-c2ccc(NC3CC3)nn2)cc(OC)c1OC 97776063 ILJUZVORAJXQOR-UHFFFAOYSA-N 301.346 2.744 0 50 DFAA Cc1c(Cl)cncc1NC(=O)N1CCOCC(F)(F)C1 297239615 XBEHUSCTSPRJMB-UHFFFAOYSA-N 305.712 2.543 0 50 DFAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 245242180 HVBDSDIVULQAPX-SSGZPDKPSA-N 305.761 2.785 0 50 DFAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)c1ccc(CN)o1 299739449 OOIUPSKEBLSTDM-IGCXYCKISA-N 314.385 2.729 0 50 DFAA O=C(NCCC1CCCCC1)NC[C@H](O)c1cccc(O)c1 534645448 PHBDZIFEBZKXAE-INIZCTEOSA-N 306.406 2.695 0 50 DFAA C[C@@H](C(=O)Nc1ccc(F)cc1)N(C)CCC1(O)CCCC1 299774300 GFDNZUNGSPDJDD-ZDUSSCGKSA-N 308.397 2.780 0 50 DFAA c1ccc2c(N3CCN([C@@H]4CCSC4)CC3)nsc2c1 584888487 RKQCVNRDZJRYAO-GFCCVEGCSA-N 305.472 2.924 0 50 DFAA CCc1csc(CNS(=O)(=O)c2ccc(C)s2)n1 670455099 KQWIXASHINBXRV-UHFFFAOYSA-N 302.446 2.554 0 50 DFAA C/C=C/c1cn(C[C@@H](C)NC(=O)C[C@H]2CCCC(C)(C)O2)nn1 1875323222 BRUSKYSIXYOPET-RLWBPUTGSA-N 320.437 2.554 0 50 DFAA COc1ccc(Cl)cc1-c1nnc([C@]2(OC)CCOC2)o1 886082234 NZAOXWAOVPGYOR-AWEZNQCLSA-N 310.737 2.661 0 50 DFAA COc1cc(N=c2scc3n2CCC3)cc(OC)c1OC 1775938112 IPWSWYPXNTZDNI-UHFFFAOYSA-N 306.387 2.754 0 50 DFAA CCS(=O)(=O)c1ccc(N(C)CCC2CCOCC2)cc1 170604498 FTVCTKUZWVNJHM-UHFFFAOYSA-N 311.447 2.733 0 50 DFAA Cc1ccc2nc(NC(=O)[C@@H]3CCCCC(=O)N3)sc2c1 170618084 PXKLGTITUIOGGH-NSHDSACASA-N 303.387 2.602 0 50 DFAA C[C@@H](CN(C)[C@H](C)CS(C)(=O)=O)c1cccc(Cl)c1 225340914 UVYKQYGTRYBVOX-NWDGAFQWSA-N 303.855 2.808 0 50 DFAA COc1cccc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 172780167 JUUATYGRKVJQEY-GUYCJALGSA-N 324.380 2.619 0 50 DFAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H](C)n2cncn2)C1 172785430 ZQZWGJWHDFCHMD-JMSVASOKSA-N 302.353 2.588 0 50 DFAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)/C=C(\C)C2CC2)c1 282661885 YORKGBDDTGLXMD-FSQHETAGSA-N 301.386 2.686 0 50 DFAA COCCOCC(=O)Nc1cccc(Cl)c1Br 192273291 SRFKZIKAESUZAA-UHFFFAOYSA-N 322.586 2.704 0 50 DFAA Clc1nc(N2CCC[C@H]2c2nccs2)c2nc[nH]c2n1 710552551 JFMDORRRGJYNFK-ZETCQYMHSA-N 306.782 2.804 0 50 DFAA CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Br 194963380 PYSASQXWAWLSBO-UHFFFAOYSA-N 318.114 2.839 0 50 DFAA CCOC(=O)CCN1CCC[C@@H](c2c[nH]c3ncccc23)C1 585133544 LNKMIGGHQDXEAN-CYBMUJFWSA-N 301.390 2.696 0 50 DFAA CCC[C@]1(C(=O)O)CCN(Cc2cccc(C)c2F)C[C@@H]1O 1704339097 NTACNXIQGTXTDP-YOEHRIQHSA-N 309.381 2.572 0 50 DFAA O=C(COc1ccc2ccccc2c1)N1CCC[C@H]1C1(O)CC1 1772819892 WRGAFHRYNFJPAU-KRWDZBQOSA-N 311.381 2.735 0 50 DFAA CCc1c(C)c(OC[C@H](O)CNC(C)C)cc(C)c1OC(C)=O 5667047 RDHMQCOKCXGITI-OAHLLOKOSA-N 323.433 2.529 0 50 DFAA C[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 12708706 GNMVFSIDVAYDRM-LBPRGKRZSA-N 318.808 2.994 0 50 DFAA Nc1cc(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)ccn1 12716843 BJOXXJZMBPXTSR-OAHLLOKOSA-N 316.449 2.581 0 50 DFAA Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 13535805 JEPCCHAGXGJYMD-LBPRGKRZSA-N 315.398 2.752 0 50 DFAA COc1cccc(CCCNS(=O)(=O)c2ccccc2)c1 13675619 QGIMDMGLRQKRSV-UHFFFAOYSA-N 305.399 2.606 0 50 DFAA O=C(c1ccc(Cl)s1)N1CCN(c2ccccn2)CC1 13744860 HPJNHJOOEPMERW-UHFFFAOYSA-N 307.806 2.759 0 50 DFAA CCn1nc(C)c(CNC(=O)c2c[nH]c(C(F)(F)F)c2)c1C 644791576 WVBIZSFTHVSASS-UHFFFAOYSA-N 314.311 2.797 0 50 DFAA CNC1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 237115337 VMFRQNKCRBYCNH-UHFFFAOYSA-N 311.429 2.605 0 50 DFAA Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)nn1C(C)(C)C 237684778 VQABAMRAYZMBIS-ZDUSSCGKSA-N 321.421 2.806 0 50 DFAA CN1[C@H]2CC[C@@H]1CCN(Cc1cc(O)c3cccc(F)c3n1)C2 248058786 UATXMKNVOBLYNV-KGLIPLIRSA-N 315.392 2.748 0 50 DFAA CCO[C@H](C)C(=O)N1CCC(c2ccccc2C(=O)O)CC1 376274064 CGCWTYYTQVEFGR-GFCCVEGCSA-N 305.374 2.516 0 50 DFAA CCNc1ccc(-c2noc(C3(OCC)CCCC3)n2)cn1 585120548 VBKLGGPWDVZHTJ-UHFFFAOYSA-N 302.378 3.369 0 50 DFAA CC[C@@H](C)C[C@@H](NCc1ccc(N(C)C(C)C)nc1)C(=O)O 901683519 RPOVLPNHBNCJCH-UKRRQHHQSA-N 307.438 2.905 0 50 DFAA Cc1cc(NC(=O)N2CC(OC(C)C)C2)nn1-c1ccccc1 930681527 XCQNCOWVUVXFAH-UHFFFAOYSA-N 314.389 2.822 0 50 DFAA NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 275889 ALACMBPJEMRBNF-UHFFFAOYSA-N 312.276 2.576 0 50 DFAA COc1ccccc1NS(=O)(=O)c1cc(C)ccc1OC 528730 NOIVKSCZWVTJBD-UHFFFAOYSA-N 307.371 2.813 0 50 DFAA COc1ccc(N2C(=O)C[C@H](Sc3ccccn3)C2=O)cc1 542342 OKHUZXQPDQDDSL-ZDUSSCGKSA-N 314.366 2.514 0 50 DFAA Cc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 582174 ZSGFYVUXTDCCRN-UHFFFAOYSA-N 305.355 2.802 0 50 DFAA Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccco1 608755 WIFGHIIIWIWCHK-HNNXBMFYSA-N 305.717 2.654 0 50 DFAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1N 804876 WCEFTUNRKBKXJW-UHFFFAOYSA-N 309.325 2.828 0 50 DFAA O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1F 1125093 JBBCNXCYRGFFEA-UHFFFAOYSA-N 311.316 2.564 0 50 DFAA CN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 2883337 CDTKHKWHRNJJEE-OAHLLOKOSA-N 321.785 2.839 0 50 DFAA CCc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 2993790 DDRAGVSSEZJUFW-AWEZNQCLSA-N 310.397 2.743 0 50 DFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(Cl)cc3)ccc21 9426006 WBRSGOLFKSWQOS-UHFFFAOYSA-N 315.760 2.783 0 50 DFAA Cl/C=C(/Cl)CN1CCc2nc[nH]c2C12CCOCC2 863950318 LBMPEPNZYJHQQX-JXMROGBWSA-N 302.205 2.593 0 50 DFAA CCOc1ccc2[nH]c(=O)c(CN3CCC[C@H]3COC)cc2c1 67790007 CHMOOBZYXDHGSM-HNNXBMFYSA-N 316.401 2.538 0 50 DFAA O=C(c1ccc(Cl)cc1)c1ccc(C(=O)O)c(C(=O)O)c1 22205214 AVJIXLNSRMANJU-UHFFFAOYSA-N 304.685 2.967 0 50 DFAA CCOc1ccc2[nH]c(=O)c(CN(C)CCC(C)(C)O)cc2c1 67771450 NGQJUXWCWFBMBP-UHFFFAOYSA-N 318.417 2.520 0 50 DFAA CCCCn1cc(C(=O)N2CC3(CCNCC3)C[C@@H]2C)c(C)n1 424245849 VDJXVWHGEHWJLP-AWEZNQCLSA-N 318.465 2.596 0 50 DFAA Cc1ccnc(NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328640944 XQYRFWNLOYNOKA-SNVBAGLBSA-N 311.311 2.675 0 50 DFAA COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 22015915 HWSKFIBPFXVUPC-AWEZNQCLSA-N 303.745 2.984 0 50 DFAA Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3[C@H](C)N)cc2)c1 121905324 SXHFBTQLERJEKS-YOEHRIQHSA-N 312.417 2.523 0 50 DFAA Cc1ncsc1CCC(=O)NCc1snnc1C(C)C 65461916 KHJWFXDVVOLLRC-UHFFFAOYSA-N 310.448 2.675 0 50 DFAA O[C@H](CN[C@@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1 250240948 HLEPZLLJWVQLMA-MGPQQGTHSA-N 303.324 2.632 0 50 DFAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2nc3ccccc3[nH]2)c1 337403547 LQHWHOAOAPINIP-KSSFIOAISA-N 323.396 2.879 0 50 DFAA CC(C)c1nc(CNC(=O)c2ccc(-c3cccnc3)nc2)no1 67955170 MHZSTJDVDZXGLV-UHFFFAOYSA-N 323.356 2.580 0 50 DFAA Cc1cc(NC[C@H](O)c2ccccc2C(F)(F)F)nc(N)n1 68998360 HQSXFVBGXFOSTO-NSHDSACASA-N 312.295 2.532 0 50 DFAA CC(C)c1nnc(CN(C[C@H]2CCCO2)C2CCCC2)n1C 173837782 STIMSEHDLIWNLB-OAHLLOKOSA-N 306.454 2.862 0 50 DFAA C[C@@]1(CNC(=O)Nc2ccccc2N2CCCC2)CCCO1 129896426 DZUVZXDSMUUVIP-KRWDZBQOSA-N 303.406 2.977 0 50 DFAA CNc1nc(CN2CCCC[C@@H]2CCn2cccn2)cs1 77519204 SEMMZRVNHQVSQY-CQSZACIVSA-N 305.451 2.826 0 50 DFAA CC(=O)[C@@H]1C[C@H](C(=O)Nc2ncnc3[nH]c(C)c(C)c23)C1(C)C 134027169 FZMPYWRUUXBKEC-NWDGAFQWSA-N 314.389 2.765 0 50 DFAA COc1ccc(NC(=O)N2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)cc1 365536732 KBKWUYKKQMWHRR-IAOVAPTHSA-N 315.417 2.643 0 50 DFAA COC[C@H]1CCC[C@H]1NC(=O)c1ccc(CCC(C)(C)O)cc1 72419296 IRUWJLPTLCDDQR-IAGOWNOFSA-N 319.445 2.935 0 50 DFAA CS(=O)(=O)CCn1ccnc1-c1cccc(Cl)c1Cl 72435174 DYEXHYLVRONVOJ-UHFFFAOYSA-N 319.213 2.902 0 50 DFAA CC(C)(C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C(=O)O)C2)cc1 262971905 ANORKNLRAJPUCJ-GFCCVEGCSA-N 318.373 2.854 0 50 DFAA C[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)O 218141187 LSUZITVZSYLOFO-ZDUSSCGKSA-N 322.364 2.893 0 50 DFAA C[C@@H](c1ccc(-c2cc3nncn3c(N)n2)cc1)N1CCCCC1 215147108 CLBPNZIISOEPCT-ZDUSSCGKSA-N 322.416 2.920 0 50 DFAA Cc1nc(NCCc2ccccc2F)cc([C@H]2C[C@H](N)C2)n1 220213941 JVBJMTMJWMSZEW-OKILXGFUSA-N 300.381 2.783 0 50 DFAA C[C@@H]1CCCN(CCNC(=O)c2ccoc2C(F)(F)F)C1 289792874 HTZWPHNLUBKEGO-SNVBAGLBSA-N 304.312 2.760 0 50 DFAA COc1cccc(OC2CN(C(=O)CCc3cccs3)C2)c1 82083438 QZFOLBQIYOREQT-UHFFFAOYSA-N 317.410 2.979 0 50 DFAA O=C(Cn1ccc(C(=O)O)n1)Nc1c(Cl)cccc1Cl 20602724 YBBITTUHOJDLPK-UHFFFAOYSA-N 314.128 2.527 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)c2cccn2Cc2cccs2)C1 178667098 RNQDHNPHOOPPKR-LBPRGKRZSA-N 318.398 2.535 0 50 DFAA C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)CC(=O)N1 615854907 NCXAAWXESMNBSH-MRVPVSSYSA-N 308.790 2.515 0 50 DFAA Cc1ncsc1CCCNC(=O)C1(N2CCCC2)CCCC1 221359009 NXJXGWNTCJWMTR-UHFFFAOYSA-N 321.490 2.909 0 50 DFAA CCc1c(C)sc2ncn([C@@H](C)c3nncn3CC)c(=O)c12 43040668 MTNAQWKVWWQRHY-VIFPVBQESA-N 317.418 2.550 0 50 DFAA C[C@@H](O)C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95501224 NMULYQSAZWFHPY-MRXNPFEDSA-N 309.409 2.976 0 50 DFAA CN1CCCC[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F 97136988 RZJYOEIPCAKLJN-GFCCVEGCSA-N 316.323 2.686 0 50 DFAA COc1cc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)ccc1C 97475481 SOQWIVRTENDBHK-LLVKDONJSA-N 302.378 2.788 0 50 DFAA COc1cccc(Cn2ncnc2[C@H](C)n2cc(Cl)cn2)c1 91518978 PBIVWVPFGCCYER-NSHDSACASA-N 317.780 2.794 0 50 DFAA O=C1Nc2ccccc2CC[C@@H]1N1CCC(N2CCCC2)CC1 252498587 RFOPZMUNQBWHEH-SFHVURJKSA-N 313.445 2.500 0 50 DFAA Cc1ccn2cc(CNC3CCN(Cc4ccco4)CC3)nc2c1 825240892 UKQMAEWVHJSXFA-UHFFFAOYSA-N 324.428 2.990 0 50 DFAA CC(C)CCOc1ccc(CCNC(=O)c2cncnc2)cc1 821158171 FZFAXQORSJBIPP-UHFFFAOYSA-N 313.401 2.874 0 50 DFAA CC[C@@H](O)Cn1nc(C2CC2)nc1CCc1ccc(F)c(F)c1 670465862 HJJFXCHWBTYPNR-CYBMUJFWSA-N 321.371 2.990 0 50 DFAA CC1(C)CN(Cc2cnc3c(F)cccc3c2)[C@@H]2COC[C@H]2O1 877616133 DQJFSBWLVXWNMP-HZPDHXFCSA-N 316.376 2.752 0 50 DFAA CO[C@H](C(=O)Nc1cc(C)nc(C)n1)c1cc(F)cc(F)c1 1875276196 DDSMSFIYIDNLHJ-AWEZNQCLSA-N 307.300 2.698 0 50 DFAA CCC1(S(=O)(=O)NC(=O)c2ccc(F)c3occc23)CC1 1875284405 UCXFSENBLIORMC-UHFFFAOYSA-N 311.334 2.574 0 50 DFAA c1cc(-c2ccc(OC[C@@H]3CCc4nncn4C3)cc2)ccn1 1875304255 FMGISWZWJCOTCZ-CQSZACIVSA-N 306.369 2.982 0 50 DFAA COc1ccc(-n2cnnc2)cc1NC(=O)Cc1cccs1 952967803 LSFOHLXCKDYEDM-UHFFFAOYSA-N 314.370 2.519 0 50 DFAA C[C@H](NCc1cnc(N2CCOCC2)s1)C1=CCCCC1 952862345 OVGGMOMFLUWPMA-ZDUSSCGKSA-N 307.463 2.958 0 50 DFAA CCc1ccc2c(c1)CCN2C(=O)NCc1ccc(OC)cn1 894460529 ZIBSDQCOOKOGCE-UHFFFAOYSA-N 311.385 2.925 0 50 DFAA COc1cc(NC(=O)c2ccc(-n3cccn3)cc2)ccc1O 798100443 TYWGYJKBONGSEJ-UHFFFAOYSA-N 309.325 2.839 0 50 DFAA Cc1[nH]c2ccccc2c1SCCNC(=O)Cc1ccon1 1181558097 JSBKNHKZVFPLGP-UHFFFAOYSA-N 315.398 2.915 0 50 DFAA C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cn[nH]c1 187082199 GGSDZDRFTXIZFN-YGRLFVJLSA-N 305.765 2.665 0 50 DFAA C=CC(=O)Nc1ccc(C(=O)NCC2(SC)CCC2)cc1 279701862 MWFBADPJDVJHAO-UHFFFAOYSA-N 304.415 2.827 0 50 DFAA CNC(=O)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 281328884 RWGZOSJIGZFCMH-KSZLIROESA-N 316.445 2.562 0 50 DFAA Cc1coc(S[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n1 188437207 AINJRUKWUXQVCQ-VIFPVBQESA-N 318.354 2.677 0 50 DFAA COC1CCN(c2nc(C(F)(F)F)ccc2C(C)=O)CC1 408518460 JJUNMRIBDLZAOE-UHFFFAOYSA-N 302.296 2.918 0 50 DFAA Cn1ccnc1C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 225299469 LGTONLNAIJMEJW-XUWVNRHRSA-N 301.434 2.637 0 50 DFAA COc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1 225679897 FOBOERAARURZSH-RDJZCZTQSA-N 315.344 2.782 0 50 DFAA Cc1cc(F)c(Br)cc1NC(=O)[C@H]1CCOC1 190260995 PLOBQXUJEXBJCW-QMMMGPOBSA-N 302.143 2.872 0 50 DFAA CC(C)c1cc(NCc2cc(O)nc(O)n2)nc(C(C)C)n1 657208663 IUCADJVHYAUDLH-UHFFFAOYSA-N 303.366 2.537 0 50 DFAA O[C@@]1(C(F)(F)F)CCCN(Cc2cc(C3CC3)no2)CC1 660540912 UEUBRTPGSGWXAK-ZDUSSCGKSA-N 304.312 2.831 0 50 DFAA CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(Cl)c2)C1 97570877 QSTVWHKUUKPSAW-ZDUSSCGKSA-N 301.839 2.597 0 50 DFAA CC(C)CN1CC[C@@H](CN(C)CCn2cnc3ccccc32)C1 1506403731 DFLSYRUUCPWFSE-KRWDZBQOSA-N 314.477 2.946 0 50 DFAA CO[C@@H](C)c1nnc(NC(=O)c2ccc3c(c2)CCCO3)s1 1529180674 HWFVAZFJFBKVST-VIFPVBQESA-N 319.386 2.823 0 50 DFAA CC(C)Cc1ccc(CN(CCO)Cc2cncn2C)s1 1704324942 FPMMWUPNKKRRMB-UHFFFAOYSA-N 307.463 2.675 0 50 DFAA O=C1O[C@H]2CN(c3ncccc3Cl)C[C@H]2N1C1CCCC1 206293750 DUNGGZFUDKOWTC-OLZOCXBDSA-N 307.781 2.687 0 50 DFAA C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C1 1634473095 SHUGPXFWKBHHIR-LBPRGKRZSA-N 321.384 2.634 0 50 DFAA COc1cccc(/C=C\C(N)=O)c1OCc1ccc(F)cc1 1772491477 GWPRAQZQOPEKRO-YFHOEESVSA-N 301.317 2.912 0 50 DFAA COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](C2(O)CC2)C1 1772810074 IOAWYPIBHCDDOE-LLVKDONJSA-N 309.793 2.726 0 50 DFAA O=C(O)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1Cl 5051029 HLXGDPVIJRNPHN-ZJUUUORDSA-N 323.732 2.644 0 50 DFAA CC(C)CN1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 12595397 LNWZHJVKJPDIEC-KRWDZBQOSA-N 312.417 2.931 0 50 DFAA CCOc1ccc(C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1 17053673 WFEXGKAOWWQZSN-ZDUSSCGKSA-N 316.279 2.558 0 50 DFAA CSc1cc(C)ccc1CNC(=O)CSc1nc(C)n[nH]1 151247603 QQFKAOAOKDUGML-UHFFFAOYSA-N 322.459 2.552 0 50 DFAA CC[C@](C)(CC(=O)O)NC(=O)c1coc(-c2ccccc2)n1 119555467 DUGVCPFQXNDXCD-MRXNPFEDSA-N 302.330 2.715 0 50 DFAA Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CN(C)Cc2ccccc21 371948699 QEJAAHCDWYYTRN-OAHLLOKOSA-N 311.385 2.777 0 50 DFAA C[C@H](NC(=O)Nc1ccc(OC2CCCC2)nc1)[C@@H]1CCOC1 266373513 CJUCKTHIMPEVEO-QWHCGFSZSA-N 319.405 2.950 0 50 DFAA Nc1c([N+](=O)[O-])cc(Br)c(F)c1[C@H]1CCCO1 143012840 XKKAUGJSYBOLGO-SSDOTTSWSA-N 305.103 2.930 0 50 DFAA C[C@@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1Br 2767638 DUPYRBZNAGARFK-SECBINFHSA-N 320.190 2.774 0 50 DFAA COc1ccc(NC(=O)c2ccncc2Br)c(C)n1 128691412 ZNNIORNEUWXDMA-UHFFFAOYSA-N 322.162 2.808 0 50 DFAA O=C(O)c1cc(NC(=O)c2ccccc2Cl)cc(C(=O)O)c1 64174 ZTPGEDDTXTWHKF-UHFFFAOYSA-N 319.700 2.989 0 50 DFAA CC1(C)C[C@H](CNC2CC(c3cccc(F)c3)C2)CNC1=O 2325797243 FJYSFLBPPXQUPX-XEBKBJJBSA-N 304.409 2.824 0 50 DFAA N[C@H]1CN(C(=O)Cc2ccc3cnccc3c2)Cc2ccccc21 2325857558 GMICHHPYLSDHKU-IBGZPJMESA-N 317.392 2.820 0 50 DFAA C[C@H](Cc1nccn1C)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 2325859881 OGNREDUYHZOMTM-GFCCVEGCSA-N 324.388 2.563 0 50 DFAA C=CC(=O)Nc1cc(NC(=O)CC[C@H]2CCOC2)ccc1F 136567886 AZZWWAQDEVAXLC-NSHDSACASA-N 306.337 2.705 0 50 DFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(F)cccc1Cl 73734 YDOIFZYRMSMSRA-GFCCVEGCSA-N 312.728 2.670 0 50 DFAA Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(O)c1 395252 KZKVAQVNNURFNK-UHFFFAOYSA-N 314.366 2.928 0 50 DFAA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2F)NC(=S)N1 521365 HMBDDRKLENLDSJ-CYBMUJFWSA-N 322.405 2.960 0 50 DFAA COc1ccc(C(=O)c2cccc(OC)c2OC)cc1OC 2567993 ZZMLFJJROAGMSL-UHFFFAOYSA-N 302.326 2.952 0 50 DFAA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1Cl 4196112 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310.239 2.765 0 50 DFAA COCC(=O)Nc1ccc(-c2cc(OC)cc(OC)c2)cc1 67674059 OVECSILMULRBLS-UHFFFAOYSA-N 301.342 2.956 0 50 DFAA Cc1noc([C@H]2CCN(C(=O)c3ccc(Cl)cc3F)C2)n1 332107730 ZWVFAPIYSZGMES-VIFPVBQESA-N 309.728 2.800 0 50 DFAA Cc1c(CN(C)Cc2nn(C)c3cccc(Cl)c23)cnn1C 67774230 LEKJOAIUNCLZHH-UHFFFAOYSA-N 317.824 2.901 0 50 DFAA Cc1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)ccc1O 67723817 IQNNPZGUXUEYIF-OAHLLOKOSA-N 304.434 2.798 0 50 DFAA CCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 1384292 OPRXTZLQAZZRCP-UHFFFAOYSA-N 305.281 2.833 0 50 DFAA CC(C)SCC(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 72146287 MNVOSOIEPBPVSJ-CQSZACIVSA-N 321.442 2.917 0 50 DFAA C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 240471614 GDFUTQPJHCNINE-JGFGOLAASA-N 318.461 2.718 0 50 DFAA CN1[C@H]2CC[C@H]1CN(c1nnc(-c3ccccc3)s1)CC2 252513161 XSOICWRYEGCGFQ-KBPBESRZSA-N 300.431 2.878 0 50 DFAA Cc1ccc(C2(O)CCN(c3cc(C(C)C)ncn3)CC2)nc1 71315715 IABNXPKFGXLWQG-UHFFFAOYSA-N 312.417 2.791 0 50 DFAA O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)c1cccc(O)n1 367343273 MNRAKPFUKRBJRY-NWDGAFQWSA-N 300.333 2.992 0 50 DFAA c1ccc(OCc2noc(-c3ccc(N4CCCO4)nc3)n2)cc1 12751407 NWHPMXMIXVIBQY-UHFFFAOYSA-N 324.340 2.852 0 50 DFAA Cc1ccc([C@H](C)NC(=O)c2ccoc2C2(O)CCOCC2)o1 366654613 PBLMYAJUSFKJAE-LBPRGKRZSA-N 319.357 2.670 0 50 DFAA Cc1nn(C(C)(C)C)cc1C(=O)N1CCC(c2cn[nH]c2)CC1 371721909 CTKVWTLTHRVCAD-UHFFFAOYSA-N 315.421 2.689 0 50 DFAA COc1ccc2c(c1)[C@H](C)CN(C(=O)C1CCC(O)CC1)CC2 376446648 HDXZPUTXTCOHSN-IUDNXUCKSA-N 317.429 2.735 0 50 DFAA C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H](N(C)CC(=O)O)CC2)o1 263492795 IYBJTJOAWIJGLU-IIAWOOMASA-N 320.433 2.774 0 50 DFAA CCN(Cc1ccccn1)C(=O)[C@@H]1Cc2cc(F)ccc2O1 177669055 MRXIIHXPYHTLBT-INIZCTEOSA-N 300.333 2.573 0 50 DFAA CO[C@@H]1COCC[C@H]1NC(=O)c1oc2cc(C)ccc2c1C 223522655 BTVCMPBIFRLQOK-UKRRQHHQSA-N 303.358 2.583 0 50 DFAA Nc1ncnc2cc(C(=O)NC[C@@H]3CCCCC3(F)F)ccc12 615474547 XBCZASXQHQPVAE-NSHDSACASA-N 320.343 2.767 0 50 DFAA Cc1noc(C)c1[C@H](C)CC(=O)N[C@H]1COc2ccccc2C1 179145465 JVOAWCHBBDOMRV-IAQYHMDHSA-N 314.385 2.905 0 50 DFAA CCc1c(C)cc(C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)n1C 97773207 IMIPLFIRAXFYDB-QLFBSQMISA-N 314.429 2.588 0 50 DFAA CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 95495657 XHPGYJUZEAXXCC-MRXNPFEDSA-N 312.369 2.790 0 50 DFAA O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95356187 ZZNAWRFFUQZSNR-PKOBYXMFSA-N 321.424 2.818 0 50 DFAA c1ccc2c(c1)CC(n1ncnc1COC[C@@H]1CCCCO1)C2 91426649 LSOZHWDOPLYLMK-KRWDZBQOSA-N 313.401 2.704 0 50 DFAA COCC1(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)CCC1 97244126 WIVDHISCZDEKOU-NSHDSACASA-N 302.296 2.618 0 50 DFAA CN(C)[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 96136678 RXLPTXOMOVZSMQ-SECBINFHSA-N 303.740 2.786 0 50 DFAA Cn1nc(-c2ccco2)nc1CN1C[C@@H](c2ccccc2)CC1=O 92061487 KSOMSVXRZDNTFH-AWEZNQCLSA-N 322.368 2.591 0 50 DFAA c1cncc([C@@H]2C[C@@H](Sc3nc4cncnc4[nH]3)CCO2)c1 629176890 OGPALZBJRDFPBV-AAEUAGOBSA-N 313.386 2.760 0 50 DFAA Cc1ccccc1NC(=O)[C@@H](C)N(C)CC1(CO)CCCC1 252500521 SXEQBNQRZPYZGE-OAHLLOKOSA-N 304.434 2.807 0 50 DFAA Cc1cccnc1C[C@H](C)NC(=O)C1(N2CCCC2)CCCC1 252501543 UHEHGLXORMBNQT-INIZCTEOSA-N 315.461 2.846 0 50 DFAA O=C(NCCc1ccco1)N1CCC(Cc2cccnc2)CC1 356292744 XBYICYZQIGROFZ-UHFFFAOYSA-N 313.401 2.881 0 50 DFAA Cc1n[nH]cc1CN(C)C(=O)c1ccc2nc(C)c(C)nc2c1 636065475 UPUPBNCTVWWPEI-UHFFFAOYSA-N 309.373 2.550 0 50 DFAA N[C@@H]1CCN(c2nc(-c3ccccc3)cc(-c3ccco3)n2)C1 826956416 JMPVDWGMZKGXJM-CQSZACIVSA-N 306.369 2.941 0 50 DFAA O=c1c2c(C(F)(F)F)cccc2ncn1CC1CCOCC1 584900258 SVYNSGJZIHONHP-UHFFFAOYSA-N 312.291 2.842 0 50 DFAA O=C(NCc1nc2ccccn2c1Cl)OCC(F)(F)F 1875273744 SHYJLANLGQEYRD-UHFFFAOYSA-N 307.659 2.776 0 50 DFAA CC1(C)Cc2ccccc2[C@@H]1NCc1cncc(-c2nn[nH]n2)c1 1875331369 XIWJLNLULDBDNR-INIZCTEOSA-N 320.400 2.675 0 50 DFAA CC(C)CN1CCCN(C2CCC3(CCNCC3)CC2)CC1 952978470 ZXQAYUBCSJWHJF-UHFFFAOYSA-N 307.526 2.963 0 50 DFAA C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1ccc(CCO)cc1 895733582 CKABFODBXZEONV-IFXJQAMLSA-N 324.424 2.749 0 50 DFAA CC(C)(C)[C@@H](NC(=O)c1ccnc2nccnc12)C(F)(F)F 1776005111 AFUFYTAYFCQENI-GFCCVEGCSA-N 312.295 2.732 0 50 DFAA CC(C)(C)C(=O)c1ccsc1NC(=O)CN1CCCC1=O 173054568 LQKXYKBXBJMIAG-UHFFFAOYSA-N 308.403 2.538 0 50 DFAA CS(=O)(=O)CCCN1CCC(=Cc2cccc(F)c2)CC1 408513163 UANNWIDJLZPWLB-UHFFFAOYSA-N 311.422 2.740 0 50 DFAA O=C(NC1CCC(Oc2ncccc2Cl)CC1)c1cc[nH]n1 188184967 NWUGDJCKKSJRRH-UHFFFAOYSA-N 320.780 2.578 0 50 DFAA CCOC[C@@H]1CN(c2ccncc2Cl)C[C@H]1c1cnn(C)c1 585655500 UPQNPAXYRCNZOX-KBPBESRZSA-N 320.824 2.725 0 50 DFAA Cc1cc(N2CCO[C@]3(CCOC3)C2)c2ccc(F)c(F)c2n1 225410010 HWWFDFCFDKYRFI-QGZVFWFLSA-N 320.339 2.817 0 50 DFAA O=C(c1cc(Cl)c[nH]1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225682780 VHCOKALUPWIREG-JSGCOSHPSA-N 308.740 2.755 0 50 DFAA CC(C)c1cccc2c1CCN(C(=O)N[C@@H](C)C[S@@](C)=O)C2 191417553 KEXXGDAEJQAZLW-WHEQGISXSA-N 322.474 2.645 0 50 DFAA CCOC(=O)[C@H](NC(=O)c1[nH]c(C)cc1C)c1ccccc1 194713901 SECMVQRYZKDBPS-OAHLLOKOSA-N 300.358 2.666 0 50 DFAA O=C([C@H]1CCCNCC1)N1CCC(Cc2ccc(F)cc2)CC1 653084196 YECRGAQOMZNLQX-KRWDZBQOSA-N 318.436 2.997 0 50 DFAA CCOC(=O)c1ccc(CNc2ncnc3onc(C)c23)cc1 195510684 LKUUBJJFONAQLL-UHFFFAOYSA-N 312.329 2.715 0 50 DFAA CCCCCc1nnc(NC(=O)[C@H](C)n2cc(C)cn2)s1 1506403148 RVYKNLDDWJLWRJ-NSHDSACASA-N 307.423 2.975 0 50 DFAA Cc1nn(C)c(C)c1CN(C(=O)CCc1ccccn1)C1CC1 1506398145 WQFLNVRCKKAHRA-UHFFFAOYSA-N 312.417 2.556 0 50 DFAA N[C@H]1C[C@H](NC(=O)C2(c3nccc4ccccc34)CC2)C12CCC2 1615555835 YPPAETQIAYDHNR-HOTGVXAUSA-N 321.424 2.653 0 50 DFAA Cc1noc([C@@H]2CCN(c3ccc(Br)c(C)n3)C2)n1 408456892 MACFXDUJWHKBFR-SNVBAGLBSA-N 323.194 2.838 0 50 DFAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc(Br)c(F)c1 124701205 RDYOHZYWBCYBAQ-WCBMZHEXSA-N 315.186 2.540 0 50 DFAA CCC[C@]1(C(=O)O)CN(c2cccc(C(C)C)n2)CC[C@@H]1O 1772705954 WYVSTEQGJWSOEG-YOEHRIQHSA-N 306.406 2.647 0 50 DFAA CN(C)c1nc(NCc2nc(C3CCCCC3)no2)ncc1F 1772706627 JNWCPHFAAUZJPJ-UHFFFAOYSA-N 320.372 2.725 0 50 DFAA Cc1scc(C(=O)N2CCN(c3ccccn3)CC2)c1C 13744916 QTKROCLWBRLKNG-UHFFFAOYSA-N 301.415 2.722 0 50 DFAA Cc1nc(-c2nccn2[C@H](C)c2cn3ccsc3n2)cn1C 1857728226 SDJLYULPAFHMDE-SNVBAGLBSA-N 312.402 2.911 0 50 DFAA Cc1cc(F)ccc1-c1nccn1C1CCS(=O)(=O)CC1 1857731404 HBDTZWODLDJCPK-UHFFFAOYSA-N 308.378 2.747 0 50 DFAA CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nccn1-c1ccccc1 252478066 ABXWTJBOWOQDCZ-RDJZCZTQSA-N 313.401 2.550 0 50 DFAA Cc1nnnn1-c1cccc(NC(=O)c2cccc(C(C)C)n2)c1 363850035 ANHHEEBDTIBMCU-UHFFFAOYSA-N 322.372 2.741 0 50 DFAA Cc1ccc(OCCC(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1C 156546657 NCYFFLAWUPAQFH-CVEARBPZSA-N 304.434 2.658 0 50 DFAA Cc1cccc2nc(N3CCN(CCC(=O)O)C[C@H]3C)sc12 910453445 ABMDMEKFZRTILY-GFCCVEGCSA-N 319.430 2.590 0 50 DFAA NC[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1Cl 237944463 PQXJPYPUEXUVOA-LBPRGKRZSA-N 301.217 2.876 0 50 DFAA O=C(Nc1nncn1C1CC1)c1csc(Br)c1 285989721 XTIRWNKSSULKRB-UHFFFAOYSA-N 313.180 2.689 0 50 DFAA COc1ccc(C(=O)CC(=O)c2ccccc2O)cc1OC 187315 AKZVHWUIAPIMPS-UHFFFAOYSA-N 300.310 2.865 0 50 DFAA Cc1cccc([C@H](CN(C)C)NC(=O)c2ccc3cncn3c2)c1 2325770132 HUCKTDPUZCVXPS-SFHVURJKSA-N 322.412 2.675 0 50 DFAA CC(C)[C@H](C)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 225395318 CMDIJGFDDUNIFJ-HOCLYGCPSA-N 303.450 2.840 0 50 DFAA CCOC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 455452 BTEHPZJZQVPQBJ-UHFFFAOYSA-N 312.369 2.754 0 50 DFAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1 466323 GJZAOUOOUATRGZ-UHFFFAOYSA-N 302.717 2.887 0 50 DFAA O=C(N[C@H](CCc1ccccc1)C(=O)O)OCc1ccccc1 2539576 GUWSQYJXSRIJCI-MRXNPFEDSA-N 313.353 2.999 0 50 DFAA in-vitro Cc1cccc(NC(=O)C(=O)NCc2ccccc2Cl)c1 2944107 ULSFYFIPBIOMNQ-UHFFFAOYSA-N 302.761 2.903 0 50 DFAA COc1ccccc1CNC(=O)C(=O)Nc1cc(C)ccc1C 2967182 RMJNHDXPWBJCEE-UHFFFAOYSA-N 312.369 2.567 0 50 DFAA COc1cc(CN2C(S)=NC(C)(C)C[C@]2(C)O)cc(OC)c1 8691412 CIXDNQPUJJKMFS-INIZCTEOSA-N 324.446 2.682 0 50 DFAA COC(=O)c1ccsc1NC(=O)CSc1ccccn1 13324258 MCGHQKPXZDSRGL-UHFFFAOYSA-N 308.384 2.661 0 50 DFAA CCc1noc(C)c1C(=O)N1CCN(c2ccccc2F)CC1 13746170 LISNIMTZSHGFEM-UHFFFAOYSA-N 317.364 2.647 0 50 DFAA CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 35269715 IPDHHWCHJZHKMH-NSHDSACASA-N 300.399 2.911 0 50 DFAA Nc1c(-c2cccc(O)c2)cnc2c(-c3cccnc3)cnn12 35977833 RDCISORSAAOABP-UHFFFAOYSA-N 303.325 2.746 0 50 DFAA O=C(O)c1nccnc1Oc1ccc(Br)cc1F 54553344 QRRSUFQNPNDVSL-UHFFFAOYSA-N 313.082 2.869 0 50 DFAA Cc1nc(N2CCc3[nH]nc(C(C)C)c3C2)c2nc(C)oc2n1 55384498 DGKJOWMIIMMTKK-UHFFFAOYSA-N 312.377 2.644 0 50 DFAA CCn1nc(C)c(CN(CCOC)Cc2cccnc2)c1C 55568841 FQFWUBHIENCTPW-UHFFFAOYSA-N 302.422 2.563 0 50 DFAA Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 59740309 TUMMSSBXIOFIBS-MRXNPFEDSA-N 316.445 2.896 0 50 DFAA CC[C@@H]1CN(C(=O)C2CCC2)CCC(=O)N1Cc1ccccc1 71416404 JSPHATKBZJGZHR-QGZVFWFLSA-N 314.429 2.826 0 50 DFAA CCOc1ccc(CCCC(=O)N2CCCNCC2)cc1C 71659277 KSJAXUOJUKCDOB-UHFFFAOYSA-N 304.434 2.538 0 50 DFAA CCc1cc(NCC2(Cn3ccnc3)CC2)n2nc(C)c(C)c2n1 72422899 PVFGNYNHFJJALO-UHFFFAOYSA-N 324.432 2.997 0 50 DFAA COC[C@@H]1CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 72431093 VGPQXHURAAXXHO-MRXNPFEDSA-N 319.445 2.889 0 50 DFAA O=C(O)C1(Oc2ccc(F)cc2)CCN(c2nccs2)CC1 72474679 COIHZGSTWGHRTE-UHFFFAOYSA-N 322.361 2.785 0 50 DFAA O=C(NCCCn1ccccc1=O)c1ccc2c(c1)CCCC2 77730853 VPHXNLAOUBLELC-UHFFFAOYSA-N 310.397 2.547 0 50 DFAA CC(C)n1cnnc1CN(C)C(=O)C[C@H]1CCc2ccccc21 82134741 KNKPNTMOMXVHHA-OAHLLOKOSA-N 312.417 2.938 0 50 DFAA CCOCC1(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)CC1 91304154 ZRBAYOCOHFOBOH-INIZCTEOSA-N 304.434 2.531 0 50 DFAA C[C@@H]1CN(C(=O)NCCc2ccccc2F)CC[C@@]1(O)C1CC1 91519363 QCHBBDLOXPHCNU-ACJLOTCBSA-N 320.408 2.561 0 50 DFAA CC(C)=CC[C@]1(C(=O)O)CCCN(C(=O)c2ccccn2)C1 91586259 OCYSPAUUBWZGSH-QGZVFWFLSA-N 302.374 2.745 0 50 DFAA CCCc1cc(C(=O)N2CCC3(CC2)[C@@H](OC)C[C@H]3O)cs1 91845885 TXOHMPZJNHBTFC-CABCVRRESA-N 323.458 2.703 0 50 DFAA O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c[nH]c(=O)c2ccccc12 97425161 KPZJYEIUKVGGBM-DOTOQJQBSA-N 304.349 2.814 0 50 DFAA CC1=CC[C@H]2C(=O)N(c3ccc(Cl)c(C(=O)O)c3)C(=O)[C@@H]2C1 101012126 COPLECYLFKVOII-GHMZBOCLSA-N 319.744 2.884 0 50 DFAA C[C@H](Oc1ccccc1)C(=O)N1CCSc2ccncc21 124952552 SLHBWHKAVJVWDV-LBPRGKRZSA-N 300.383 2.988 0 50 DFAA C[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1nc[nH]n1 128695103 QJVUEIYZWAEDQL-LURJTMIESA-N 318.686 2.968 0 50 DFAA Cc1cc(Br)cc(C(=O)NCC(C)(C)CO)c1 131273823 CQBCODFQAQLVOI-UHFFFAOYSA-N 300.196 2.506 0 50 DFAA c1ccc(CN2CCC[C@@H]3CN(CCn4ccnc4)CC[C@@H]32)cc1 131746008 XKMMBROULDIIDK-UXHICEINSA-N 324.472 2.870 0 50 DFAA Cc1nc(CN(C)S(C)(=O)=O)oc1-c1ccc(Cl)cc1 132189345 LOWKUPGFQLRJDV-UHFFFAOYSA-N 314.794 2.695 0 50 DFAA O=C(O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)s1 136481898 UXWILMZSNHPAAI-GFCCVEGCSA-N 316.382 2.889 0 50 DFAA CCOc1nnc(CN2CCN(CC)c3ccccc32)s1 170623699 RJSSFYMKEGTRES-UHFFFAOYSA-N 304.419 2.783 0 50 DFAA COc1ccc2c(c1)CN(Cc1cc(-c3cnn(C)c3)no1)CC2 184988099 KKORDWJMHNITQF-UHFFFAOYSA-N 324.384 2.642 0 50 DFAA CC(C)(CO)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 199307593 RTDWLUPVQUCRKN-UHFFFAOYSA-N 301.173 2.722 0 50 DFAA c1ccc(CN(Cc2cccc3nonc23)C[C@@H]2CCCO2)nc1 216325647 QYKIZIIDUUDSSU-INIZCTEOSA-N 324.384 2.799 0 50 DFAA CC[C@H](NC(=O)CSc1nc(C)cs1)c1ccnn1C 222340718 YTORHCUNIUVVCL-JTQLQIEISA-N 310.448 2.545 0 50 DFAA CCOc1ccc(CC(=O)N(Cc2nccn2C)C2CC2)cc1 222800603 YTNMEVLGENLSAF-UHFFFAOYSA-N 313.401 2.553 0 50 DFAA O=C(NCCOc1cccc2cccnc12)[C@@H]1C[C@@H]2C=C[C@H]1C2 223724025 LNYRUKNEKYOSTP-VNQPRFMTSA-N 308.381 2.942 0 50 DFAA O=C(NC1CC(F)(F)C1)c1cc(=O)[nH]c2ccc(Cl)cc12 225447887 VXTKCZNEZVWDBY-UHFFFAOYSA-N 312.703 2.709 0 50 DFAA CO[C@@H]1CCCC[C@@H]1OC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 229821220 NNCXOWHBGFXDFN-XZJROXQQSA-N 308.422 2.716 0 50 DFAA Cc1cc(Br)cc(C)c1S(=O)(=O)NC(C)C 230552027 WESXYBGRWSFCBU-UHFFFAOYSA-N 306.225 2.753 0 50 DFAA CC(C)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)C(=O)O 236768647 OYYSSKJGEVXBLG-ZDUSSCGKSA-N 322.748 2.834 0 50 DFAA Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)cc(C)c1OCC(=O)O 237855341 MMOGNMVVVBEHMD-ZIAGYGMSSA-N 317.385 2.639 0 50 DFAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2o1 238096278 URKCMPUQSQKJKY-ZDUSSCGKSA-N 317.341 2.529 0 50 DFAA CC(=O)N1C[C@@H](CCC(=O)N(C)c2cccnc2)c2ccccc21 241590504 PFJOQVDYOJVUBY-OAHLLOKOSA-N 323.396 2.975 0 50 DFAA COc1ccccc1C[C@@H](C)N(C)Cc1nncn1C(C)C 244735091 NSVWLKATJSDYFV-CQSZACIVSA-N 302.422 2.931 0 50 DFAA CCN(C(=O)c1ccn(C)c(=O)c1)c1ccc(Cl)c(F)c1 253425208 BKNFJZGELSKIFD-UHFFFAOYSA-N 308.740 2.845 0 50 DFAA CNc1ccc(C(=O)NC[C@H](OC)c2ccc(Cl)cc2)cn1 285786659 UKLBUDDIDKWISY-AWEZNQCLSA-N 319.792 2.894 0 50 DFAA CC(C)[C@@H](NC(=O)c1ncoc1C1CC1)c1nc(C2CC2)no1 293038090 MYGXTESUWBHGOE-LLVKDONJSA-N 316.361 2.940 0 50 DFAA Cc1[nH]nc(C(=O)N[C@H](c2nccs2)C(F)(F)F)c1C 293936612 NJJWEESUKVYAAR-MRVPVSSYSA-N 304.297 2.516 0 50 DFAA Cc1nnc(-c2cccc(NC(=O)N[C@H](C)C(F)(F)F)c2)[nH]1 299777301 MSOVGAFBYYQUEO-SSDOTTSWSA-N 313.283 2.852 0 50 DFAA C[C@]1(NC(=O)c2cc(N3CCNC3=O)ccc2F)CC=CCC1 332448999 SXFLHMAKUCFQBR-KRWDZBQOSA-N 317.364 2.584 0 50 DFAA Cc1nc(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)oc1C 340238169 RXBASJPJAJEBAT-DOMZBBRYSA-N 308.328 2.878 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348252837 CATUFXLQPJURIO-KBPBESRZSA-N 322.767 2.766 0 50 DFAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ccc2ccc(F)cc2n1 359308832 ZWLFXVKBWVVLOW-DJIMGWMZSA-N 316.376 2.740 0 50 DFAA C[C@@H]1Oc2c(cccc2C(=O)N[C@@]2(C)CC=CCC2)NC1=O 408470691 WUMHOLMFNJEOAP-GTNSWQLSSA-N 300.358 2.635 0 50 DFAA CCOC[C@H]1CCN(C(=O)c2cc(O)cc(C(F)(F)F)c2)C1 408517944 QDUMFPMJSCCULX-JTQLQIEISA-N 317.307 2.910 0 50 DFAA CC(C)(c1ccccc1)C1(NC(=O)C[C@H]2COC(=O)C2)CC1 408520522 JXYIGQOJOFVMAM-CYBMUJFWSA-N 301.386 2.566 0 50 DFAA CN(Cc1cnccn1)C(=O)c1ccc2cccc(Cl)c2n1 426387115 PIDAPASVXYYCRX-UHFFFAOYSA-N 312.760 2.950 0 50 DFAA Cc1cnccc1-c1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 426420037 MSEHIIYPWSWPFC-GOSISDBHSA-N 321.424 2.977 0 50 DFAA COc1cccnc1-c1cccc(C(=O)NC[C@H]2CCCO2)c1 426471318 GMFUGNVKYPYYSQ-OAHLLOKOSA-N 312.369 2.666 0 50 DFAA C[C@@H](c1ccc(-c2csc(C(N)=O)c2)cc1)N1CCOCC1 426734279 JRIAHWPRFRXLQQ-LBPRGKRZSA-N 316.426 2.907 0 50 DFAA C[C@H]1c2ccccc2CCN1CC(=O)NCC(=O)c1ccccc1 435045586 ZEKYGUZBDCPYKI-HNNXBMFYSA-N 322.408 2.605 0 50 DFAA COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(C)=O 503939717 SJMXPJVQCGHRGM-JQHSSLGASA-N 303.402 2.910 0 50 DFAA biogenic Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3CCCOC3)CC2)c1 584887825 UNBGPKLGDGCNBF-KRWDZBQOSA-N 316.445 2.769 0 50 DFAA COc1cccc2c(=O)n([C@@H](C)CCCC(C)(C)O)cnc12 584888028 IWVQINDMWFOEMJ-LBPRGKRZSA-N 304.390 2.907 0 50 DFAA COC(=O)c1sc2cccc(F)c2c1NC(=O)[C@H](C)OC 585085417 FBMLQCPHDISDPU-ZETCQYMHSA-N 311.334 2.800 0 50 DFAA Cc1nc(C(=O)NC2CCC3(CC2)CCN(C)CC3)c(C)o1 585087837 WCPLWKUNPFJMPL-UHFFFAOYSA-N 305.422 2.676 0 50 DFAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc(C(F)F)[nH]n1 585135531 OYTIPLNAVPOPNT-JTQLQIEISA-N 313.348 2.959 0 50 DFAA COC1CCC(NC(=O)[C@@H](C)n2ccc(C(F)(F)F)n2)CC1 633406410 KENSDQMEBUBGMN-KPPDAEKUSA-N 319.327 2.537 0 50 DFAA COc1cccc([C@@H](C(=O)O)N2CCC(c3ccon3)CC2)c1 634692681 GNFOFRSWCLYBKZ-INIZCTEOSA-N 316.357 2.689 0 50 DFAA Cn1cc2c(n1)CCC[C@@H]2C(=O)Nc1ncc(F)cc1Cl 637435703 XXZSHJKTMMDWLH-VIFPVBQESA-N 308.744 2.666 0 50 DFAA C[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C 661173471 GHJJXHVLAPSDTA-RPCCPQHDSA-N 302.418 2.687 0 50 DFAA C[C@H](O)CN(CC(F)F)C(=O)c1ccc(F)c2occc12 821856775 FQJYBBQHAMRGAJ-QMMMGPOBSA-N 301.264 2.660 0 50 DFAA O=C(O)[C@@H](CNc1ncccc1C(F)(F)F)C1CCOCC1 863734395 OPFQUXFVTYAVBE-JTQLQIEISA-N 318.295 2.640 0 50 DFAA C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)c1cnn[nH]1 885243222 ZUDWAYRVFLPRFO-CYBMUJFWSA-N 310.810 2.757 0 50 DFAA FC1(F)CCC[C@H](NCc2cn(Cc3ccccc3)nn2)C1 893113696 MMIJRBJOWDXZBM-AWEZNQCLSA-N 306.360 2.994 0 50 DFAA Cc1c(C(=O)N(C)Cc2ccns2)oc2c1C(=O)CCC2 894071918 FMJNHYHKPUYZCF-UHFFFAOYSA-N 304.371 2.836 0 50 DFAA Cc1cccc(-c2noc([C@@H](C(C)C)N3CCCC3=O)n2)n1 952994836 VKKPMMLZEIDUSZ-CQSZACIVSA-N 300.362 2.760 0 50 DFAA CNc1nc(NCCOc2cccc3cccnc23)ncc1F 1529141535 PNYQJTFXUARAGI-UHFFFAOYSA-N 313.336 2.697 0 50 DFAA O[C@H]1C[C@@H]2CN(Cc3cnc(-c4ccc(Cl)cc4)nc3)C[C@H]12 1772706781 XWZUAXABMKVBPN-KBMXLJTQSA-N 315.804 2.610 0 50 DFAA Cc1nc(N(C)Cc2nc(-c3ccccc3)no2)c2[nH]ccc2n1 1857706760 PVKDSXQWCKFMSJ-UHFFFAOYSA-N 320.356 2.953 0 50 DFAA Cc1cnn([C@H]2CCN(C[C@@](O)(c3ccccc3)C(C)C)C2)c1 1875259908 AVQJMSYQNFYZIC-OALUTQOASA-N 313.445 2.982 0 50 DFAA COc1cc(-c2noc([C@@H]3CCCC(=O)N3C)n2)ccc1C 1875284278 VAQNOPUZVRFKEK-LBPRGKRZSA-N 301.346 2.737 0 50 DFAA CN[C@H]1CC[C@@H](NC(=O)c2cc3c(OC)ccc(C)c3[nH]2)CC1 1875292563 MFKHHBFKRFTQIJ-BETUJISGSA-N 315.417 2.745 0 50 DFAA C[C@H]1c2cc(CNC(=O)/C=C/CN3CCCC3)ccc2O[C@@H]1C 1875337976 KWYAUYMFWYZAOB-XEVLESSRSA-N 314.429 2.839 0 50 DFAA C[C@@H](Cn1ccnc1)C(=O)N[C@H](C)c1ccc2ccn(C)c2c1 2325796999 PONSPSASUWGOEX-UONOGXRCSA-N 310.401 2.888 0 50 DFAA O=C(CCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1 44503 TXPJCJSTQIHFBD-UHFFFAOYSA-N 314.385 2.512 0 50 DFAA Cc1cc(C(=O)N2CCC[C@]23CCCNC3=O)ccc1Cl 2356148926 AHHIIXPRKVMMFL-INIZCTEOSA-N 306.793 2.533 0 50 DFAA Fc1ccc(OCc2nn3c(C(F)(F)F)nnc3s2)cc1 4834429 QCLDNXAVWCUVFS-UHFFFAOYSA-N 318.255 2.923 0 50 DFAA O=C(c1cccc(-n2cccn2)n1)N1CCCc2cccc(F)c21 134410475 WSTIKLGIRDRWKO-UHFFFAOYSA-N 322.343 2.999 0 50 DFAA CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2)cc1 6697934 DUCQYTDPRUKBAG-UHFFFAOYSA-N 318.398 2.725 0 50 DFAA CCOc1ncccc1C(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 55041986 SBZLQVZBUBCJKX-AWEZNQCLSA-N 313.401 2.887 0 50 DFAA Cc1cc(C(=O)N(C)C[C@H]2CCCNC2)c2cccc(C)c2n1 55036166 ITYYIHOMXMDPSE-HNNXBMFYSA-N 311.429 2.923 0 50 DFAA COc1ccc(C)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 101460789 XOUZCEVFACJLOS-AZHAFVHUSA-N 303.358 2.689 0 50 DFAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccccc1-n1cccn1 248117714 JBOVCFJYUAMDCK-QZTJIDSGSA-N 324.428 2.571 0 50 DFAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1c1ncon1 123351202 DWGYRFMEFPXULM-BXUZGUMPSA-N 319.336 2.730 0 50 DFAA CN(Cc1ccc(Oc2cccc(F)c2)cc1)[C@@H]1COC[C@H]1O 348635807 OSHAIJFNDLAFKB-QZTJIDSGSA-N 317.360 2.810 0 50 DFAA COCc1noc(-c2ccc(NC3Cc4ccccc4C3)nc2)n1 20539931 QGVCKIUNZPOLRN-UHFFFAOYSA-N 322.368 2.857 0 50 DFAA CCO[C@@H]1C[C@@H](NCc2nnc(C3CCC3)n2C)C12CCCC2 333632387 ALVWVEHKGKXUJM-HUUCEWRRSA-N 318.465 2.910 0 50 DFAA CC[C@H](NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1F 246046687 XQOIPYRVKAEFCZ-KCXAZCMYSA-N 308.397 2.502 0 50 DFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCC[C@@H]1C(=O)O 237700007 URBNHCFOLGENPJ-OAHLLOKOSA-N 318.348 2.624 0 50 DFAA Cc1nn(C)cc1C(=O)Nc1ccc(Br)cc1F 1428583 PNWGSROHSHPOOM-UHFFFAOYSA-N 312.142 2.882 0 50 DFAA CN1CC=C(CNC(=O)NCCc2cc3ccccc3o2)CC1 242302389 YSEHNIXOFYPARA-UHFFFAOYSA-N 313.401 2.536 0 50 DFAA CCOc1ncc(C(=O)N2CCC[C@@]3(CCOC3)C2)cc1Cl 456737186 SZNDNAIAZVFAKU-MRXNPFEDSA-N 324.808 2.776 0 50 DFAA C[C@H](NC(=O)N(C)Cc1cscn1)c1nc2ccccc2[nH]1 147283889 QERUITHRHPOGNA-JTQLQIEISA-N 315.402 2.922 0 50 DFAA CC(C)n1cc(C(=O)NCc2cccc(N3CCCC3)c2)cn1 77285313 QLLHOBMKFTYIPO-UHFFFAOYSA-N 312.417 2.994 0 50 DFAA CCc1c(C)sc2ncnc(NC[C@H]3COCCN(C)C3)c12 72144841 RJJDQZWKAWPZNS-GFCCVEGCSA-N 320.462 2.552 0 50 DFAA OC[C@@H]1Cc2ccccc2N(Cc2nnc(-c3ccco3)o2)C1 366393884 DSIMETOWSYZVHQ-GFCCVEGCSA-N 311.341 2.501 0 50 DFAA Cc1cc(CNC(=O)Cn2nccc2C)c2[nH]c(C)c(C)c2c1 71762612 NMQWNNZBXLRYNB-UHFFFAOYSA-N 310.401 2.914 0 50 DFAA CC(C)c1cc(C(=O)N[C@]2(C)CCOC2)nn1-c1ccccc1 157068765 MWBHYJWCVNAAOU-GOSISDBHSA-N 313.401 2.905 0 50 DFAA CCOc1cccc(C(=O)N2CCC[C@H](c3ccnn3C)C2)c1 376601346 ZEQHCBNCIRNERL-HNNXBMFYSA-N 313.401 2.839 0 50 DFAA O=S(=O)(c1cccnc1)N1CCC[C@H]1c1ccc(F)cc1 72132132 VBCZZXJHGOTUSI-HNNXBMFYSA-N 306.362 2.747 0 50 DFAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1c(C)noc1C 223750211 NQBXGQZFSINZDO-UHFFFAOYSA-N 304.350 2.604 0 50 DFAA Cc1cc2ccccc2n1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1O 178696082 VOKHDIQOQUZTKJ-YLJYHZDGSA-N 320.392 2.724 0 50 DFAA O=C(Nc1ccc(Cl)c(N2CCNC2=O)c1)c1ccncc1 225596406 SJDFXXADVALPKR-UHFFFAOYSA-N 316.748 2.517 0 50 DFAA CCn1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)cn1 292074779 QJURCWNUHJYWCN-HNNXBMFYSA-N 313.405 2.591 0 50 DFAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@@H]3CC[C@H](C2)[C@@H]3N)c1 426490764 VTOXYGPMIGLVFG-HWWDLCQESA-N 310.445 2.863 0 50 DFAA C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)C(N)=O 294198854 NTAVBPZTTLRANR-KWCYVHTRSA-N 324.371 2.586 0 50 DFAA COCC1(C(=O)N(C)[C@H](C)Cc2ccccc2OC)CCC1 97679711 NCHWBZYZBWHFCD-CQSZACIVSA-N 305.418 2.901 0 50 DFAA CC(C)c1nc(Cn2cnnc2)n(Cc2cccc(Cl)c2)n1 96130297 WVJZLMDMJNKTLR-UHFFFAOYSA-N 316.796 2.743 0 50 DFAA COc1ccccc1OCCCN1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91380995 RIYSTEPTBZXHHU-LSDHHAIUSA-N 319.401 2.507 0 50 DFAA CCOc1ccc(OCc2nc([C@H]3CCOC3)n(CC)n2)cc1 95521946 UTTDPQSQMYILLC-ZDUSSCGKSA-N 317.389 2.780 0 50 DFAA CCCCn1ncnc1C[C@H](C)n1nc(C)c(C(C)=O)c1C 91643875 BWNVNVDBOHZBJA-NSHDSACASA-N 303.410 2.898 0 50 DFAA Cn1nccc1CCC(=O)NCCCn1ccc2ccccc21 97831075 DPDNAHRMTDPPCY-UHFFFAOYSA-N 310.401 2.514 0 50 DFAA O=C(Nc1ccc2c(n1)OCCO2)N[C@@H]1C[C@H]1c1ccsc1 626610607 GDHPVFDMVJYSDX-WDEREUQCSA-N 317.370 2.592 0 50 DFAA CCSCCC(=O)NCc1nn(C)c2cccc(Cl)c12 252495935 PDQDQEVVBQEBOO-UHFFFAOYSA-N 311.838 2.986 0 50 DFAA CC[C@H](NC(=O)Cc1cnc2c(C)cccn12)c1cccnc1 534661899 LKGGPHBZAAPLGG-INIZCTEOSA-N 308.385 2.848 0 50 DFAA CSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccc(F)c(F)c1 824954764 IYTADSJIGIQJLR-SSDOTTSWSA-N 323.324 2.656 0 50 DFAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)COCc1ccccc1 670472068 NIUZEXDHDOWKEF-MRXNPFEDSA-N 315.417 2.631 0 50 DFAA CCc1nnc([C@]23CCC[C@H]2CN(Cc2conc2CC)C3)o1 952848949 DCAHBDNGWJDXNX-GUYCJALGSA-N 316.405 2.736 0 50 DFAA Cc1cc(C(=O)NC[C@@H]2Cc3ccccc32)c2c(n1)CCCC2=O 1875292950 XOPDTQNXEMZYPA-AWEZNQCLSA-N 320.392 2.979 0 50 DFAA Cc1cnccc1[C@H](C)NCc1ccccc1S(C)(=O)=O 1875284622 BOEOOAOQJGJRKK-ZDUSSCGKSA-N 304.415 2.644 0 50 DFAA C[C@@H](O)c1nc2ccc(NC(=O)c3cc(C(F)F)[nH]n3)cc2[nH]1 952962457 DPEKVGIABCOSCV-ZCFIWIBFSA-N 321.287 2.529 0 50 DFAA Cn1ncc(Cl)c1C(=O)Nc1cccc(CN2CCCC2)c1 952971425 SIMKQQWGSBGIIF-UHFFFAOYSA-N 318.808 2.922 0 50 DFAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2)cn1 952983090 SNYOKXXGYRMVTO-ZDUSSCGKSA-N 313.357 2.573 0 50 DFAA COc1cncc(C(=O)N2CCCc3ccc(F)c(Cl)c32)n1 892140642 CRMDYSBWFGLPAL-UHFFFAOYSA-N 321.739 2.871 0 50 DFAA CC(C)(C)c1cnc(CCC(=O)N2CCOc3ccncc32)o1 187568838 OHAGJSKREMCWSX-UHFFFAOYSA-N 315.373 2.725 0 50 DFAA O[C@H](COCc1ccccc1)CN1CCCNc2ccccc21 303422773 LCZKDOLSEIRUSO-KRWDZBQOSA-N 312.413 2.886 0 50 DFAA O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@@H]1CCCOC1 408521246 NJDBVLGTQMGYES-SUMWQHHRSA-N 303.402 2.819 0 50 DFAA O=C(C1=NO[C@H](c2ccccc2)C1)N1CCCO[C@@H]2CCC[C@H]21 225248212 INDUEYXUNTXQRK-ZACQAIPSSA-N 314.385 2.674 0 50 DFAA CC(C)[C@H](CNC(=O)N1CCC[C@@H](CO)C1)Cc1ccccc1 191117184 GEDDXIXWNQNRIC-MSOLQXFVSA-N 318.461 2.915 0 50 DFAA CC(C)c1cc(NC(=O)Nc2ccc3c(c2)oc(=O)n3C)[nH]n1 192252791 RXDLQIHICJAONK-UHFFFAOYSA-N 315.333 2.622 0 50 DFAA CN1CCN(Cc2ccccc2-c2cccc3[nH]ncc23)CC1 665190638 GSVSEICCPCLADP-UHFFFAOYSA-N 306.413 2.977 0 50 DFAA CCc1noc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1C 1529092888 YYGYMHMYDMTSSY-NSHDSACASA-N 304.346 2.960 0 50 DFAA CCCC(CCC)C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529126366 HCCDZXMTGVVKNX-SJORKVTESA-N 304.434 2.972 0 50 DFAA C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(F)cc1Br 230106271 VUHLRHFABAESIJ-AMIZOPFISA-N 316.170 2.886 0 50 DFAA CC[C@@H](C)Oc1cccc(CN(CCO)Cc2cnc(C)[nH]2)c1 1704336236 WMGIVRJJOJTSAS-CQSZACIVSA-N 317.433 2.890 0 50 DFAA O=C(CCCn1cncn1)N[C@H]1CCCC[C@H]1CC(F)(F)F 1615627091 TZGSJFGFKWTMKV-RYUDHWBXSA-N 318.343 2.686 0 50 DFAA Cc1ccc(C)c(NC(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)c1 1772711474 CUWGQWYPVXDAOI-KGLIPLIRSA-N 301.390 2.530 0 50 DFAA COc1ccccc1C1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775981646 HPYBFAWIBSGACM-HNNXBMFYSA-N 316.445 2.743 0 50 DFAA O=C(NCc1cc[nH]n1)[C@@H](Cc1ccc(O)cc1)c1ccccc1 1772711271 SAGCTQWCPPNBGI-SFHVURJKSA-N 321.380 2.758 0 50 DFAA C[C@H](NC=O)c1nc2ccccc2n1CCOc1ccccc1 5235860 WNSACIUTNQYNRT-AWEZNQCLSA-N 309.369 2.922 0 50 DFAA CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 11774438 LLJFAZUFZUXTNU-ZDUSSCGKSA-N 320.820 2.699 0 50 DFAA O=S(=O)(c1c[nH]cn1)N1CCC[C@H]1c1ccc(Cl)cc1 15671049 ZXPRAELHUFQSCQ-LBPRGKRZSA-N 311.794 2.589 0 50 DFAA CCc1n(C)c2ccccc2[n+]1C[C@H](O)COC1CCCCC1 15746037 FKMIXUABQHLYIZ-HNNXBMFYSA-N 317.453 2.738 0 50 DFAA CC(=O)Nc1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1Cl 15800533 CVBAGEDAMLJDDH-VXGBXAGGSA-N 318.760 2.754 0 50 DFAA O=C(c1ccccn1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857674573 ODNOOCKFANGGLQ-HQRMLTQVSA-N 322.408 2.680 0 50 DFAA Fc1cccc2ccc(-c3nccn3CCn3cncn3)nc12 1857693319 REFLEFGCMXIDPS-UHFFFAOYSA-N 308.320 2.529 0 50 DFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)NC[C@H]1CC1(F)F 1857695566 OWDJORFSDRNBNA-SNVBAGLBSA-N 309.291 2.909 0 50 DFAA COc1ccc(NC(=O)CCCC2CCOCC2)cc1CO 252510446 ZLAYCSSAPUROCU-UHFFFAOYSA-N 307.390 2.723 0 50 DFAA Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)nn1 412334220 ZRBYDUGUQPISQT-LBPRGKRZSA-N 313.323 2.980 0 50 DFAA Cc1c([C@H]2OCC[C@@H]2NCc2csc(C(C)C)n2)cnn1C 328635746 VALRDSJGPCURNR-LSDHHAIUSA-N 320.462 2.928 0 50 DFAA Cc1noc(C)c1S(=O)(=O)N(C)Cc1sccc1Cl 331234591 DAJMFWPESRSNKG-UHFFFAOYSA-N 320.823 2.827 0 50 DFAA CC[C@H](c1ccc(F)cc1F)N1CCN([C@H](C)C(=O)O)CC1 236874058 ZYXRSDVCOSTHDF-IAQYHMDHSA-N 312.360 2.507 0 50 DFAA Cc1c(C(=O)N2CC[C@H](C(=O)O)C2)oc2c(Cl)cccc12 237766055 ZEVSLXOIDRMJDE-VIFPVBQESA-N 307.733 2.941 0 50 DFAA O=C(NCC12CCC(CC1)C2)c1ccccc1Cn1cncn1 378271256 MEAGIZCJSIKTEB-UHFFFAOYSA-N 310.401 2.637 0 50 DFAA CC(C)c1n[nH]c(CC2CCN(C(=O)N(C)C(C)C)CC2)n1 585138198 UYUPYYOOORORNM-UHFFFAOYSA-N 307.442 2.643 0 50 DFAA O=C(O)[C@H]1CCCN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)C1 263378965 OROFGAJGHUFVRK-YDHLFZDLSA-N 320.364 2.578 0 50 DFAA COc1c(Cl)cccc1-c1noc(C[C@@H]2CCCC(=O)N2)n1 904185258 UJRONLUHHAYGDI-VIFPVBQESA-N 321.764 2.610 0 50 DFAA Nc1c(F)cc(I)cc1Br 229699285 CLHPASSIBCUHEN-UHFFFAOYSA-N 315.911 2.775 0 50 DFAA CC1(C)CCc2cc(CNC[C@]3(C)CCC(=O)N3)ccc2O1 835059502 AMQKOSHMRALKGK-SFHVURJKSA-N 302.418 2.549 0 50 DFAA Cc1ccn2c(NC(=O)c3cnc(CC(C)C)s3)nnc2c1 934503649 YEQNUDNORMAYRW-UHFFFAOYSA-N 315.402 2.945 0 50 DFAA C[C@@]12C=CC(=O)N[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)O)CC[C@H]12 936069059 FDESQZBVTKLIQN-QNJNQFQYSA-N 317.429 2.984 0 50 DFAA COc1ccc([C@H]2SCC(=O)N2CCN2CCCCC2)cc1 54432 FGPNHECIWNOVPM-QGZVFWFLSA-N 320.458 2.755 0 50 DFAA COc1cc(N=c2nc(CCc3ccccc3)[nH][nH]2)cc(OC)c1 2100537049 GWRLPSSKNUZGKX-UHFFFAOYSA-N 324.384 2.773 0 50 DFAA c1cnc2nc(Nc3ccc(O[C@@H]4CCOC4)cc3)ncc2c1 2325822860 SBSRGCYGABBDFM-OAHLLOKOSA-N 308.341 2.936 0 50 DFAA CC(C)c1nnc2c(=Nc3cn(C)c4ccccc34)[nH]ccn12 2325870886 SWQVBSIYGSWENC-UHFFFAOYSA-N 306.373 2.905 0 50 DFAA COc1ccc(CCNC(=O)c2ccccc2OC)cc1OC 433615 OUFNMHCDMFKXFO-UHFFFAOYSA-N 315.369 2.685 0 50 DFAA COc1ccc(CCC(=O)Nc2ccc3c(c2)COC3=O)cc1 4512268 UVDMJZAVISAUHH-UHFFFAOYSA-N 311.337 2.937 0 50 DFAA CCOC(=O)[C@H]1CCCN(Cc2ccc(O)c(OCC)c2)C1 6350999 UHJBTULWBHGHRT-AWEZNQCLSA-N 307.390 2.566 0 50 DFAA COc1ccccc1CCNC(=O)c1nc(-c2ccccc2)no1 6747226 RCGHHOJMLVNVJP-UHFFFAOYSA-N 323.352 2.718 0 50 DFAA Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)no1 8015383 ZDGOLJZLQSQRTB-UHFFFAOYSA-N 305.765 2.599 0 50 DFAA CC(C)N1CCN(Cc2cccc3cnccc23)C[C@H]1CCO 104374525 CJZHIHOOFIDSNU-GOSISDBHSA-N 313.445 2.512 0 50 DFAA Cc1cc(-c2nn3c(COc4ccccc4)nnc3s2)no1 23128304 MVXNZRHZLREQKU-UHFFFAOYSA-N 313.342 2.728 0 50 DFAA Cc1oc(-c2cc(F)cc(F)c2)nc1Cn1cc(CCO)cn1 67804056 FIPIZLXRLBIEQH-UHFFFAOYSA-N 319.311 2.708 0 50 DFAA Cc1nn(C)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 239761335 CJPDMTJKEJSHQB-USXIJHARSA-N 320.433 2.716 0 50 DFAA c1cc(CN[C@H]2COc3ccccc3C2)cc(-n2cccn2)c1 20911069 RNWPLEKGTIDCNM-QGZVFWFLSA-N 305.381 2.966 0 50 DFAA Cc1cc(C)c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)[nH]1 331618059 QUOCSBQYBQCIPY-WFASDCNBSA-N 320.339 2.858 0 50 DFAA CC[C@@H]1CN(C(=O)c2coc3ccccc23)C[C@H](C)[S@]1=O 331971198 NEGOHBVVXRXPGV-QLMNROTDSA-N 305.399 2.804 0 50 DFAA CCN(C)c1ccnc(N2Cc3cnc(C(C)(C)C)nc3C2)n1 67432104 GQHUEDZVXMWDNL-UHFFFAOYSA-N 312.421 2.540 0 50 DFAA Cc1nnsc1CN(C)Cc1ccc(C)n1-c1cccnc1 71750743 YOYCBXHLSOMIEM-UHFFFAOYSA-N 313.430 2.973 0 50 DFAA CSc1ccc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)cc1 72411223 WQWZKYAHTHKTFL-INIZCTEOSA-N 306.431 2.825 0 50 DFAA O=C(NCCN1CCCOCC1)Nc1ccc(C2CC2)c(F)c1 252490803 LBIPCNTVJIXVOT-UHFFFAOYSA-N 321.396 2.547 0 50 DFAA COc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c(C)c1 219939830 OUHZCWVFWMRWDL-ZDUSSCGKSA-N 305.374 2.863 0 50 DFAA CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1 246369728 GHROHHNZNPVAMX-SNPRPXQTSA-N 306.837 2.996 0 50 DFAA C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2N)CCS1 370305476 KWAQSXSFJOGPLG-GFCCVEGCSA-N 313.426 2.908 0 50 DFAA COc1cc(C)c(N2C(=O)[C@@H]3CCCCCN3C2=O)cc1F 375929147 VKNJJLJEHUBPMP-LBPRGKRZSA-N 306.337 2.854 0 50 DFAA O=C(NCCOc1ccc(Br)cc1)C(F)(F)F 216827450 IAOVSFAYOATKRF-UHFFFAOYSA-N 312.085 2.506 0 50 DFAA COc1cc(Cl)cc(CN2CCCC2)c1O[C@H](C)C(=O)O 215864360 AZHOCOYGMWYKOK-SNVBAGLBSA-N 313.781 2.796 0 50 DFAA CN(CC1(c2ccccc2)CC1)C(=O)c1ccnc(C(=O)O)c1 263575876 PRCLQFCEFWAFHL-UHFFFAOYSA-N 310.353 2.584 0 50 DFAA Cc1nnc(CC(=O)N2CC(C)(C)Sc3ccccc32)o1 176267008 NKGRQJSDGCDDTM-UHFFFAOYSA-N 303.387 2.838 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccc(N(C)C)c1 72478395 HLKQKAXOXMWAEQ-MRXNPFEDSA-N 318.417 2.701 0 50 DFAA COc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c(C)c1 290793948 TXHJVHOSFUHJTM-ZDUSSCGKSA-N 319.792 2.941 0 50 DFAA CC[C@@H](NC(=O)c1cnc(SC)nc1)c1ccc(C)cn1 223295276 DTOYGURUEGJWDQ-GFCCVEGCSA-N 302.403 2.783 0 50 DFAA CCCO[C@H](C)C(=O)N1CCC(c2nccn2CC2CC2)CC1 82155958 ARTZMNYIMCZXKU-CQSZACIVSA-N 319.449 2.814 0 50 DFAA Cc1nn(C[C@@H](C)NCc2ccc(CN)cc2)c(C)c1Cl 426389964 VXALYVAJUYAVMT-LLVKDONJSA-N 306.841 2.790 0 50 DFAA CC1(C[C@@]23CC=CC[C@@]2(C(=O)OCCO)CCCC3)OCCO1 43214745 LVDQEYTVFLQVNL-ROUUACIJSA-N 324.417 2.572 0 50 DFAA Cc1nnc(CN(C)C(=O)c2ccc3nc(C)sc3c2)o1 426503170 KPVRTIHGPRDYBW-UHFFFAOYSA-N 302.359 2.568 0 50 DFAA Nc1nc(CCCNC(=O)CCCc2ccc(F)cc2)cs1 221274414 GIDRODJWZAEMKF-UHFFFAOYSA-N 321.421 2.936 0 50 DFAA O=C(NCCCn1ccnn1)c1cccc(-c2cccc(F)c2)c1 222918596 PYMMCULBULNHOE-UHFFFAOYSA-N 324.359 2.904 0 50 DFAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1 619111617 AYWYPVJKWWQKCH-OSRSDYAFSA-N 303.402 2.825 0 50 DFAA COc1cc(Cl)cc(CN2CC[C@](C)(O)[C@H](C)C2)c1OC 91426439 KZVLYFKIFNOMMU-BZNIZROVSA-N 313.825 2.950 0 50 DFAA O=C(c1cccc2nccnc12)N1CCC[C@@]2(CCCO2)CC1 97759470 XIYSGHSFTGJKFN-GOSISDBHSA-N 311.385 2.805 0 50 DFAA O=C(CN1CCC[C@@H](c2ccccc2)C1)NCc1ccc(O)cc1 95356424 PSZWKJBEPJFMLV-GOSISDBHSA-N 324.424 2.888 0 50 DFAA COCc1ccc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)s1 91657360 YEXAQGWMRHIDFS-BZNIZROVSA-N 309.431 2.518 0 50 DFAA CC(C)n1cc(-c2cn(CCSc3ccccn3)nn2)cn1 91643445 ZCRJECKMEZWRCJ-UHFFFAOYSA-N 314.418 2.910 0 50 DFAA Cc1nc(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)sc1C 91695180 INDCXISYZAOAAO-BZNIZROVSA-N 310.463 2.764 0 50 DFAA COc1ccc(OCCN2CC(N3CCCC[C@@H]3C)C2)cc1 243893775 AUENPFQAFWSMSM-HNNXBMFYSA-N 304.434 2.633 0 50 DFAA COC[C@@H](c1ccccn1)N(C)Cc1noc(-c2ccco2)n1 244691652 JGPZYESIGYHKIH-ZDUSSCGKSA-N 314.345 2.544 0 50 DFAA CCc1nc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)n[nH]1 252500571 SXYWMSDGKIRVQK-CQSZACIVSA-N 310.405 2.971 0 50 DFAA O=C(NCC[C@@H]1CCCOC1)N1CCC(c2ccncc2)CC1 528100694 QBEKKXUGAFSAQS-HNNXBMFYSA-N 317.433 2.787 0 50 DFAA c1cc(-c2noc(-c3cncnc3NC3CCCC3)n2)ccn1 263615371 CBHOBLOZBMOGNZ-UHFFFAOYSA-N 308.345 2.943 0 50 DFAA Cc1ccccc1[C@@]1(O)CCN(C(=O)NCCSC(C)C)C1 534663338 WFCLMYRVBNWZPA-QGZVFWFLSA-N 322.474 2.740 0 50 DFAA O=C(Nc1cnns1)N1CCC([C@@H](O)c2cccs2)CC1 299792646 FZYIAGVAQCPTML-GFCCVEGCSA-N 324.431 2.577 0 50 DFAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)c1 299788623 YQBVBRGOLYPOIE-OAHLLOKOSA-N 313.401 2.660 0 50 DFAA Cc1ccccc1C1(NC(=O)N(C)CCn2ccnc2C)CC1 584899915 WYTIJQHULARNBO-UHFFFAOYSA-N 312.417 2.831 0 50 DFAA CCc1ccc2ncn([C@@H](COC)c3ccccn3)c(=O)c2c1 584888685 FYBHINIPJGKIAI-KRWDZBQOSA-N 309.369 2.590 0 50 DFAA C[C@]1(Cc2noc(-c3nnc(O)c4ccccc34)n2)CC1(F)F 1875267548 QDXJCCCNMZFMRD-AWEZNQCLSA-N 318.283 2.973 0 50 DFAA Cc1cc(CN=c2[nH]c(Cl)nc3ccccc23)cc(O)n1 1875357221 XMPKYYRLDNLADI-UHFFFAOYSA-N 300.749 2.726 0 50 DFAA CCc1cc(C(=O)N=c2[nH][nH]c3cc(F)ccc23)cc2c[nH]nc12 1875356927 SDYLLFANJPBEJQ-UHFFFAOYSA-N 323.331 2.815 0 50 DFAA NC[C@H]1CN(c2ncnc3sccc23)CC[C@@H]1C(F)(F)F 630527235 PPXKRFWQZWIGAI-WPRPVWTQSA-N 316.352 2.655 0 50 DFAA Cc1nc(CN2CCC[C@H]2c2ncc(C(=O)O)cn2)sc1C 1777499184 KEVIYRIMJCIASU-LBPRGKRZSA-N 318.402 2.585 0 50 DFAA O[C@@H](CCc1ccccc1)CNCc1ccc2c(c1)OCCO2 273039212 AEGNAQUZOZURMW-KRWDZBQOSA-N 313.397 2.541 0 50 DFAA COc1cc(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)nn1C 274793546 YZCWYPNFYSSUAC-MRXNPFEDSA-N 317.364 2.757 0 50 DFAA O=[S@](c1ccc(N[C@@H]2C=C[C@H](CO)C2)cc1)C(F)(F)F 585092657 INXNMMBABHOMSN-YNCXGMNZSA-N 305.321 2.663 0 50 DFAA O=C(Nc1ccc2c(c1)OCCO2)N1CCSC[C@@H]1C1CC1 585118880 GPMYUXXPRQBPFP-CYBMUJFWSA-N 320.414 2.817 0 50 DFAA Cc1nc2c(C(=O)N3C[C@@H](C)OC4(CCC4)C3)cccc2o1 648638652 KGBKISXQBPOKHT-LLVKDONJSA-N 300.358 2.920 0 50 DFAA Cc1cc(N2C[C@@]3(C)COC[C@@]3(C)C2)nc(-c2ccccn2)n1 664286755 HRGBHAVDMWPLCM-HDICACEKSA-N 310.401 2.710 0 50 DFAA O=C(c1cncc(N[C@H]2CCc3ccccc3C2)n1)N1CCCC1 1529111948 CCKQFVXMZZLYBZ-INIZCTEOSA-N 322.412 2.682 0 50 DFAA CN(CC[C@@H]1COCCO1)Cc1cccc(C(F)(F)F)c1 1800411118 GDVUEMBRGOUOSN-CQSZACIVSA-N 303.324 2.943 0 50 DFAA COC(=O)c1nnc(-c2cnc(Cl)cc2NC(C)C)s1 223433352 AEZPGDMNTWNKBS-UHFFFAOYSA-N 312.782 2.860 0 50 DFAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnsn1 129247030 RQTQXIZSDZLYAY-UHFFFAOYSA-N 301.293 2.829 0 50 DFAA CCCCOc1cc(S(=O)(=O)n2cccn2)ccc1Cl 11614101 JDOOTJBTMMWZJV-UHFFFAOYSA-N 314.794 2.952 0 50 DFAA COC(=O)CNC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 4542974 JGKWKBCPSPUVSF-VQHVLOKHSA-N 319.744 2.902 0 50 DFAA CC(C)(C)c1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1 1857669249 PONURCXBQHDRKI-PKOBYXMFSA-N 303.446 2.815 0 50 DFAA Cc1ccc(-c2nccn2C[C@H]2CC(=O)N(C)C2)c(F)c1F 1857667359 NFXDJZOWUNMVFI-NSHDSACASA-N 305.328 2.615 0 50 DFAA CC(C)(C)c1ccc2oc(N3C[C@@H]4CNC(=O)C[C@@H]4C3)nc2c1 1857679883 ZGCOYGLCDHIJRQ-NEPJUHHUSA-N 313.401 2.698 0 50 DFAA O=C(NCc1ncccc1O)c1cc(Cl)c(O)c(Cl)c1 408515343 PJRYCOXWUMLJSL-UHFFFAOYSA-N 313.140 2.730 0 50 DFAA CCCC(=O)NC[C@@H](NC(=O)CCC)[C@H](C)c1ccccc1 408516174 VOSYMVFPMDLPTG-GDBMZVCRSA-N 304.434 2.991 0 50 DFAA CC(C)=CCCNC(=O)N1CCO[C@H](c2nc(C)cs2)C1 225760173 ZQKLDMUFWMNBSA-ZDUSSCGKSA-N 309.435 2.891 0 50 DFAA Cc1cc(C)c(CNC(=O)N2CC[C@H](CN(C)C)C2)c(C)c1 129775915 KHZFBWDXSYVABD-MRXNPFEDSA-N 303.450 2.705 0 50 DFAA NC(=O)C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 368554036 BGETXVOHPPXIBT-AWEZNQCLSA-N 324.380 2.816 0 50 DFAA Cc1cscc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 373271196 CUXXXFDIJNNMCW-HOCLYGCPSA-N 308.447 2.893 0 50 DFAA COc1cc(C(=O)NC2CCC(C(=O)O)CC2)ccc1Cl 262676739 UIKGREMBHNSICO-UHFFFAOYSA-N 311.765 2.722 0 50 DFAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1cc(Cl)cc(C(F)(F)F)c1 263359595 XZMVREOZTRRZMY-WKFQBHICSA-N 321.682 2.952 0 50 DFAA Cc1nccn1-c1ncccc1CNC(=O)CC1CC(F)(F)C1 825389170 KCVMFBHRJAYZGR-UHFFFAOYSA-N 320.343 2.627 0 50 DFAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CC([C@@H]2CCOC2)C1 935745577 FETIJLDODSOQIB-SECBINFHSA-N 321.327 2.609 0 50 DFAA COC[C@H]1CCCCN1C(=O)c1cc(=O)c2ccc(F)cc2o1 837144867 IHLQATSRKOTEAY-GFCCVEGCSA-N 319.332 2.573 0 50 DFAA CCn1ncc(CN(CCCO)[C@@H]2CCCc3ccccc32)n1 838849860 GXNFXJYCJMPXFN-GOSISDBHSA-N 314.433 2.560 0 50 DFAA COC(=O)c1cc2c(=O)n(-c3ccc(F)cc3)ccc2nc1C 12408041 YWAWESYEBADIKG-UHFFFAOYSA-N 312.300 2.620 0 50 DFAA Cc1cn2c(n1)[C@@H](C)N(Cc1cc3ccccc3n(C)c1=O)CC2 2325755650 CEMNBEFIWXSEIW-CQSZACIVSA-N 322.412 2.620 0 50 DFAA c1cnn(-c2ccc(CCN[C@H]3CCCn4ccnc43)cc2)c1 888094148 ORYMKUKYMNYPPG-KRWDZBQOSA-N 307.401 2.736 0 50 DFAA COc1ccccc1NC(=O)[C@H]1CC(=O)OC12CCCCC2 93302 QVPXGCCMUGUITN-GFCCVEGCSA-N 303.358 2.900 0 50 DFAA O=C(COc1ccc(Br)cc1)Nc1ccncc1 195349 RTLXCQJPRJXRMR-UHFFFAOYSA-N 307.147 2.862 0 50 DFAA CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 357508 IDQRNFDSQQCXGH-UHFFFAOYSA-N 324.446 2.990 0 50 DFAA COc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1 450450 JZGOTZXOEFXQMH-UHFFFAOYSA-N 313.309 2.881 0 50 DFAA biogenic COC(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 447689 PTUPABXHLWLSFA-UHFFFAOYSA-N 323.304 2.832 0 50 DFAA O[C@@H]1CCN(c2nccn3c(-c4cc5ccccc5o4)cnc23)C1 2356162876 RXNVIJZSAHKAIB-CYBMUJFWSA-N 320.352 2.714 0 50 DFAA CCOC(=O)C1CCN(CCOc2ccc(CC)cc2)CC1 6703960 DZZCMXXDIOODAX-UHFFFAOYSA-N 305.418 2.903 0 50 DFAA C[C@@](O)(CNC(=O)c1cncc2ccccc12)c1ccccc1 114550936 POGFQYHKJYMQCI-LJQANCHMSA-N 306.365 2.872 0 50 DFAA O=C(CCc1ccccn1)N1CCc2[nH]nc(-c3ccco3)c2C1 23368428 PIMOOIVDUNAVKF-UHFFFAOYSA-N 322.368 2.582 0 50 DFAA O=C(c1ccc(F)cc1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 101319129 WNAWNHNQFKZKPV-JLJPHGGASA-N 302.393 2.772 0 50 DFAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H](c2nccn2C)C(C)C)c1C 67561384 NPQUBBNOZFTSSW-AWEZNQCLSA-N 316.405 2.695 0 50 DFAA CCOc1ccccc1OCCN(C)C(=O)c1cnccc1C 55054718 ONXPEYFMYUHPBN-UHFFFAOYSA-N 314.385 2.940 0 50 DFAA Cc1ccc(CNc2cccc(C(=O)NCCN(C)C)c2)cc1 55384981 SEMODNIDTMYACX-UHFFFAOYSA-N 311.429 2.899 0 50 DFAA CC[C@@H](Nc1cc(C2CCNCC2)nc(C)n1)c1ccnn1C 67983080 JOSMJELERLBCLS-CQSZACIVSA-N 314.437 2.549 0 50 DFAA COc1c(CO)ncc(Br)c1OCc1ccccc1 306145215 NBHYGNVDMCKZMD-UHFFFAOYSA-N 324.174 2.924 0 50 DFAA CCc1noc([C@H](C)N2CCC[C@@H](c3nncn3C(C)C)C2)n1 229903638 QMKLZSAAWKJBLG-QWHCGFSZSA-N 318.425 2.745 0 50 DFAA c1ccc(Cc2noc([C@H]3OCC[C@H]3Cn3cccn3)n2)cc1 328632455 RWPOJMNPMANQTH-HOCLYGCPSA-N 310.357 2.635 0 50 DFAA Fc1ccc(N2CCN([C@@H]3CCCN(C4CCC4)C3)CC2)cc1 22914660 KATMUWLOAYXOBV-LJQANCHMSA-N 317.452 2.965 0 50 DFAA CC(C)n1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cn1 331625722 OZQMWFLDGYPPRZ-HOTGVXAUSA-N 317.364 2.551 0 50 DFAA OCC[C@H]1CN(C2CCCCC2)CCN1Cc1cccs1 20451255 IHFGIWQAIFBEQC-INIZCTEOSA-N 308.491 2.949 0 50 DFAA O=C(Nc1ncc(C2CCOCC2)s1)NC1C[C@H]2C[C@@H]2C1 333327514 CBYWBVODHRSGFV-GHMZBOCLSA-N 307.419 2.957 0 50 DFAA Cc1cc(C)n([C@H]2CCN(Cc3ccc(-c4cc[nH]n4)o3)C2)n1 67643310 HRXRDNVXYZMLQS-AWEZNQCLSA-N 311.389 2.930 0 50 DFAA Cc1c(C(=O)N2CCCc3n[nH]cc32)c(O)nc2ccccc12 447633718 FDBXDHFMJSWJPQ-UHFFFAOYSA-N 308.341 2.565 0 50 DFAA Cn1c(CS(=O)(=O)CC2(C)CCCCC2)nnc1C1CC1 333804878 GWBAVVRLDYBIJG-UHFFFAOYSA-N 311.451 2.578 0 50 DFAA COC(=O)c1sc([C@H](C)CNC(=O)c2ccccc2)nc1C 185588273 SSUFAKNLHJFUJO-SNVBAGLBSA-N 318.398 2.772 0 50 DFAA CO[C@@H]1CCCN(c2nncc(-c3ccc(Cl)cc3)n2)C1 12093484 LGMBIUCLTAPRIW-CYBMUJFWSA-N 304.781 2.807 0 50 DFAA Cc1cc(C)c(C(=O)N2CCO[C@H](CCCC(C)C)C2)c(=O)[nH]1 71746106 XHPRZSAJDORPGP-OAHLLOKOSA-N 320.433 2.659 0 50 DFAA CCc1nnc(CNc2nccc(CCC(F)(F)F)n2)s1 71759912 LZWYQDPOADWUFF-UHFFFAOYSA-N 317.340 2.998 0 50 DFAA Cc1ccc(F)c(C(=O)NCCc2csc(N)n2)c1Cl 219301972 JPVBPHWKEFXMLE-UHFFFAOYSA-N 313.785 2.799 0 50 DFAA Cc1nn(C)c2ncnc(N(C)Cc3csc(C(C)C)n3)c12 72480311 CZABXCXKZJZYET-UHFFFAOYSA-N 316.434 2.888 0 50 DFAA CSCC[C@H](N)C(=O)N(C)Cc1csc2ccccc12 152728574 CVGHXPXERZZAQN-ZDUSSCGKSA-N 308.472 2.940 0 50 DFAA CN(Cc1ccc([S@](C)=O)cc1)[C@@H]1Cc2ccccc2[C@H]1O 245869952 RFFNCVVYNRELJF-HMFYCAOWSA-N 315.438 2.514 0 50 DFAA O=C(CC1CCNCC1)Nc1ccc(Oc2cnccn2)cc1 253433295 VHYCWSJDYPIXQJ-UHFFFAOYSA-N 312.373 2.597 0 50 DFAA O=C(N[C@@H]1COC2(CCCC2)C1)c1cc(=O)c2ccccc2o1 219775247 DDFUZPWRILQXPC-LBPRGKRZSA-N 313.353 2.625 0 50 DFAA O=C(Nc1ccc2c(c1)CCO2)N1CCC[C@H]1Cn1ccnc1 176349235 RWJCORIIUAJEDA-HNNXBMFYSA-N 312.373 2.515 0 50 DFAA CN(C)[C@@H]1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 72170444 VJJZEAFTQJQKSN-LJQANCHMSA-N 312.461 2.848 0 50 DFAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1Cl 47977188 RDTBSPSTGGVPSC-LBPRGKRZSA-N 323.824 2.981 0 50 DFAA COc1ccccc1CC(=O)N[C@@H]1COC2(CCCCC2)C1 223734227 ZNXUNGFFACVWMD-HNNXBMFYSA-N 303.402 2.846 0 50 DFAA CCN(CCn1cccn1)C(=O)NCc1cccc(C)c1C 426489801 VCTNMDBDQVNEHZ-UHFFFAOYSA-N 300.406 2.732 0 50 DFAA Cn1cnnc1[C@H]1CCCN1C(=O)Nc1ccc2ccn(C)c2c1 179752598 OHOWRVBSDCZQSR-CQSZACIVSA-N 324.388 2.676 0 50 DFAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)C1 179023535 ZOEPDWJLHQHNJF-HZPDHXFCSA-N 318.461 2.954 0 50 DFAA COc1ccc(C2(C(=O)NCCCc3ccccn3)CC2)cc1 221399342 HMAKGWRXSKWQIN-UHFFFAOYSA-N 310.397 2.871 0 50 DFAA CCN1CC[C@H]2OCCN(C/C(C)=C/c3ccccc3)[C@H]2C1 293534084 CEKCIPKDIQKKFJ-CAIYROQZSA-N 300.446 2.885 0 50 DFAA COC(=O)c1nc([C@H](C)NC(=O)OCc2ccccc2)oc1C 145340046 MCLSIRVYRZFQHW-JTQLQIEISA-N 318.329 2.757 0 50 DFAA FC(F)(F)c1ccn([C@H]2CCCN(CC3=CCCOC3)C2)n1 180799365 DLCSDPNTDRXARC-ZDUSSCGKSA-N 315.339 2.886 0 50 DFAA c1ccc2c(c1)CC(n1ncnc1COC[C@H]1CCCCO1)C2 91426653 LSOZHWDOPLYLMK-QGZVFWFLSA-N 313.401 2.704 0 50 DFAA COc1cccc(-c2cc(-c3nc(CSC)no3)[nH]n2)c1 96151848 WDOSQWSYLSDIJR-UHFFFAOYSA-N 302.359 2.998 0 50 DFAA CCN(CCNC(=O)C1(COC)CCC1)c1cccc(C)c1 97294834 SJOQCJRBUDRWSY-UHFFFAOYSA-N 304.434 2.754 0 50 DFAA CCCn1cc(CN(C)Cc2noc(C3CCC3)n2)c(C)n1 97425754 PKIJJYLQDHKALB-UHFFFAOYSA-N 303.410 2.884 0 50 DFAA O=C(O)[C@@H]1CN(Cc2nccs2)C[C@H]1c1ccc(F)cc1 91907244 KJHOEDOVKOBTGS-QWHCGFSZSA-N 306.362 2.582 0 50 DFAA CC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)[C@H]1C[C@H](O)C1 244691538 JEQPYFDTHOJKPO-OBJOEFQTSA-N 315.335 2.914 0 50 DFAA C[C@H]1CN(C2CCN(CCCc3cccnc3)CC2)C[C@@H](C)O1 244816795 SOPBXIPYKLWTTD-CALCHBBNSA-N 317.477 2.588 0 50 DFAA CN(Cc1nnc(-c2ccco2)o1)C[C@H]1Cc2ccccc2O1 244758161 OTIOHPFUFFKCJN-CYBMUJFWSA-N 311.341 2.765 0 50 DFAA NC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 299738719 FMVFTQOFOYHXKH-MELADBBJSA-N 323.234 2.502 0 50 DFAA CCCn1ccnc1CNC(=O)N1CCC[C@@H](CSC)C1 534657576 BKEZTYQWHYUNGW-CYBMUJFWSA-N 310.467 2.578 0 50 DFAA Oc1nc(CSc2cnn[nH]2)nc2sc3c(c12)CCCC3 268171757 QPUATVNAEBHMGS-UHFFFAOYSA-N 319.415 2.686 0 50 DFAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCO[C@@H]1C 270622599 FUWPAWDHKMJPLD-LYRGGWFBSA-N 304.390 2.549 0 50 DFAA Cc1ccc(CC(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)cc1 630283477 SVNCNTAZZWRTKS-OWCLPIDISA-N 301.386 2.639 0 50 DFAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1ccc3scnc3c1)CC2 299783910 XUGNEENJLMNFCH-QWHCGFSZSA-N 301.415 2.605 0 50 DFAA Cc1ccc(CNC(=O)CN2C[C@@H]3CC[C@H]2C3)c2cccnc12 299785644 MYJWQXFAIFIVJN-ZBFHGGJFSA-N 309.413 2.644 0 50 DFAA CCOc1ccccc1CN(CC)C(=O)NCc1cc[nH]n1 823396034 HVNDYHSKNYEKQS-UHFFFAOYSA-N 302.378 2.540 0 50 DFAA Cc1nc(CN2CCC[C@H](COc3ccccc3C)C2)no1 670473483 ZYVKTCOCPWFSMD-HNNXBMFYSA-N 301.390 2.977 0 50 DFAA CN(CCn1cc(Cl)cn1)Cc1cc(-c2ccccn2)no1 670437288 HSKIXNJILGVFNF-UHFFFAOYSA-N 317.780 2.719 0 50 DFAA Cc1nonc1CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 873279478 JAZUDYISGOBHLY-CQSZACIVSA-N 304.325 2.564 0 50 DFAA O=C(Cc1cccc(Cl)c1)N[C@@H]1C(=O)Nc2ccccc21 1875262951 VUBSBHMPIGVOQV-HNNXBMFYSA-N 300.745 2.692 0 50 DFAA CCOCc1cc(C(=O)NC[C@@H](O)CCC2CC2)ccc1OC 1875299616 PZCHVSRUJJISDJ-INIZCTEOSA-N 321.417 2.513 0 50 DFAA COc1nc(-c2noc(CCc3c(C)n[nH]c3C)n2)sc1C 1875286268 OXBFJCMAQPIMIL-UHFFFAOYSA-N 319.390 2.635 0 50 DFAA Cc1nnc([C@H]2CCCN(C(=O)c3ccncc3Cl)[C@H]2C)o1 886084720 BZSBKEPNMBOLHD-ONGXEEELSA-N 320.780 2.835 0 50 DFAA CCN(CCN(C)C)Cc1ccc(F)c(Br)c1 19634417 JNGMYVZPGOFBJN-UHFFFAOYSA-N 303.219 2.972 0 50 DFAA CCOc1cc(N2CCC[C@H]2Cn2cnc3ccccc32)ncn1 274726577 ZBAUQZSVVSGVJM-AWEZNQCLSA-N 323.400 2.894 0 50 DFAA C/C(=C\c1ccccc1)CN[C@@H]1CCCN(c2nccnc2O)C1 275550475 NHIRHMBVYDILIE-OKACTXMXSA-N 324.428 2.844 0 50 DFAA COc1nc(N(C)C)sc1/C=C1/N=C(C(C)(C)C)OC1=O 170593208 CGPCUZSZDWOTEU-BQYQJAHWSA-N 309.391 2.560 0 50 DFAA COc1c(C)cnc(CN(C)C(=O)CCC2CCOCC2)c1C 172913559 RICMKVLSBWSJKC-UHFFFAOYSA-N 320.433 2.872 0 50 DFAA Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H](C)C[C@H](CO)C1 408521827 MHXNDKODXXKJIK-JSGCOSHPSA-N 314.385 2.741 0 50 DFAA O=C(CCc1ccc(O)nc1)N1CC(c2ccc(Cl)cc2)C1 412404483 VESMSACZYKWMGT-UHFFFAOYSA-N 316.788 2.999 0 50 DFAA Cc1c(C(=O)Nc2cc(C(=O)O)ccc2F)cnn1CC(C)C 191059047 MSJXYTJQDRUENS-UHFFFAOYSA-N 319.336 2.937 0 50 DFAA O=C(NCc1cscn1)N1CC2(CCC2)[C@@H]1C1CCOCC1 644930293 GDEXRRAEZKEKPT-AWEZNQCLSA-N 321.446 2.634 0 50 DFAA Cc1cc(-n2ccnc2)ccc1CN1CCC[C@H](n2cncn2)C1 192009611 UHMDKXRLUKDWCV-SFHVURJKSA-N 322.416 2.609 0 50 DFAA COc1ccc([C@H]2CCN(C(=O)Nc3cnns3)C2)cc1 192323152 UCDHYIUGAVSJEY-NSHDSACASA-N 304.375 2.568 0 50 DFAA CCc1ccc(C(C)(C)NC(=O)Cn2ccc(C)cc2=O)cc1 194817589 WTRYIFCLNHAIPW-UHFFFAOYSA-N 312.413 2.771 0 50 DFAA COC[C@@H](C)N(Cc1cnn(C)c1)Cc1cc(F)ccc1F 1506406829 PANPGDNGKLFWOI-GFCCVEGCSA-N 309.360 2.735 0 50 DFAA O=C(NCC1CN(CC(F)(F)F)C1)c1ccc(Cl)cc1 1615547851 MOONDIWPUOYORE-UHFFFAOYSA-N 306.715 2.564 0 50 DFAA Cc1ccc(N2C[C@@H](Nc3nc(C)ncc3Cl)CC2=O)cc1 1772708762 JORNVRVXFPVHGX-LBPRGKRZSA-N 316.792 2.964 0 50 DFAA COc1ccc(S(=O)(=O)NCC(C)C)c(Cl)c1Cl 12382305 XLMDKLUEYVGYKH-UHFFFAOYSA-N 312.218 2.936 0 50 DFAA CCN1C[C@@H](CN(C)Cc2nc(-c3ccoc3)oc2C)CC1=O 12440567 RMPOAYOBHJYZPS-CYBMUJFWSA-N 317.389 2.543 0 50 DFAA CCOC(=O)[C@H]1CCCN(CCOc2cccc(Cl)c2)C1 16527128 RUWMUXXNXCJJRO-ZDUSSCGKSA-N 311.809 2.994 0 50 DFAA CCN(CC)CCN(C)CC(=O)Nc1c(C)cccc1Cl 19367539 YOLNUPFVIAFFRX-UHFFFAOYSA-N 311.857 2.861 0 50 DFAA O=C(CCc1cn[nH]c1)N1CCC[C@H](OCc2ccccc2)C1 19813120 GCSXKXCJLGSNPE-KRWDZBQOSA-N 313.401 2.550 0 50 DFAA Cn1nccc1CCC(=O)NCc1cccc(C(F)(F)F)c1 163561199 OSZGHPXKLUJATR-UHFFFAOYSA-N 311.307 2.688 0 50 DFAA O=C(Cc1nc2ccccc2o1)N[C@H]1CCCCCC[C@@H]1O 1857668644 PPKRHHGKQHAFFQ-JSGCOSHPSA-N 302.374 2.570 0 50 DFAA CCN1CCC[C@@H](n2ccnc2-c2ccc(C(=O)OC)cc2)C1 1857679655 PJCOUQSQHFGOQG-MRXNPFEDSA-N 313.401 2.994 0 50 DFAA CCCc1ccc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)o1 1857715428 RABVSMAVTTYVNG-CRAIPNDOSA-N 304.434 2.527 0 50 DFAA C[C@@H](NC(=O)NC(C)(C)COCc1ccccc1)c1cn[nH]c1 225583047 NHQPXNGEHONMGD-CYBMUJFWSA-N 316.405 2.765 0 50 DFAA CCOc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 236895711 ZNRZBAXJGWOYLM-ZDUSSCGKSA-N 305.374 2.802 0 50 DFAA c1cncc([C@H](NC2CC(N3CCCCC3)C2)c2ncc[nH]2)c1 373521067 JTXCRBPNPJVJJW-JCYILVPMSA-N 311.433 2.501 0 50 DFAA CCC1(CC)[C@@H](NC(=O)N(C)Cc2cscn2)C[C@H]1OC 158095514 JVNXCBFJZCEXKK-QWHCGFSZSA-N 311.451 2.878 0 50 DFAA C[C@H](NC(=O)c1cc(Cl)cn1C)c1noc(C(F)(F)F)n1 585088256 RGGKZMRLGGCZSA-YFKPBYRVSA-N 322.674 2.571 0 50 DFAA O=C(O)c1cc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1O 1118974579 MGRGGBWPFIZEDA-ONOSFVFSSA-N 311.284 2.710 0 50 DFAA c1n[nH]c(SCc2ccc(CSc3ncn[nH]3)cc2)n1 5768543 PAZRPGAWBXLEAJ-UHFFFAOYSA-N 304.404 2.507 0 50 DFAA CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@@H](C)C1 2325764309 AXERRSJYUVYIOL-HIFRSBDPSA-N 303.406 2.701 0 50 DFAA CN(Cc1ccc(NC(=O)c2cccn3nncc23)cc1)C1CC1 2325780516 OSFMEXTYNVDMGM-UHFFFAOYSA-N 321.384 2.576 0 50 DFAA CC1(C)C[C@@H](CNC2CC(c3cccc(F)c3)C2)CNC1=O 2325797244 FJYSFLBPPXQUPX-YGONEPDPSA-N 304.409 2.824 0 50 DFAA CO[C@@H]1CC[C@@H]1CC(=O)N1CCC(O)(c2ccccc2C)CC1 2325804383 JQVPTNUMSWJFNO-NVXWUHKLSA-N 317.429 2.620 0 50 DFAA COc1c(S(=O)(=O)n2cnc(C)c2)ccc(Cl)c1Cl 308262 RHSYBNAQWVEOSK-UHFFFAOYSA-N 321.185 2.744 0 50 DFAA COc1cccc(C(=O)CN2C3=NCCN3c3ccccc32)c1 309603 BPJQEISLTSNGMX-UHFFFAOYSA-N 307.353 2.574 0 50 DFAA COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1O 611026 PASYHNSZNCBCLG-UHFFFAOYSA-N 307.371 2.818 0 50 DFAA O=C(CCc1ccccc1Cl)N1CCC[C@]12CCCNC2=O 2356163304 XFVSLLWVGWNTMC-KRWDZBQOSA-N 320.820 2.544 0 50 DFAA CC(C)Oc1ccc(CNC[C@@]2(O)CCOC(C)(C)C2)cc1 4120573 PRNZEVLFVWJHQZ-GOSISDBHSA-N 307.434 2.884 0 50 DFAA C[C@H]1CN(C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl 229806872 JVPCVSWQSZPWIR-IINYFYTJSA-N 303.233 2.663 0 50 DFAA CC(C)CN1CCN(CCCc2ccccc2)C[C@H]1CCO 104381508 YIGOINRNVRYTLF-LJQANCHMSA-N 304.478 2.644 0 50 DFAA CCOc1ccc(CN(CCOC)C(=O)c2ccccn2)cc1 55120616 ZPGNNDKNWVNCQR-UHFFFAOYSA-N 314.385 2.769 0 50 DFAA COCCCCC(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 422001170 OXDDAARYSLAGRD-ZIAGYGMSSA-N 313.438 2.629 0 50 DFAA c1ccc2c(c1)CCN(c1ncnc3sc4c(c13)CCNC4)C2 65458591 NDTXJVHQDBGPPN-UHFFFAOYSA-N 322.437 2.900 0 50 DFAA COc1cc2ncn(Cc3ccccc3F)c(=O)c2cc1OC 20739210 SXJGJTUTBUJABF-UHFFFAOYSA-N 314.316 2.601 0 50 DFAA O=C(Cn1ncc2ccccc21)Nc1ccnn1-c1ccccc1 23145890 FCKNRFBOWONDIX-UHFFFAOYSA-N 317.352 2.861 0 50 DFAA CC(C)c1cc([C@H]2CCCN2C(=O)CCN2CCCCO2)no1 63882312 DQCBEQDZUBIEFO-OAHLLOKOSA-N 321.421 2.879 0 50 DFAA CN(Cc1cccc2ncccc12)Cc1cnn2cccnc12 67896013 NDJXUKGUGDJDPT-UHFFFAOYSA-N 303.369 2.910 0 50 DFAA Cn1cnnc1[C@@H]1CN(Cc2csc3ccccc23)CCO1 328634612 MUBJVUVXCZDRJQ-AWEZNQCLSA-N 314.414 2.603 0 50 DFAA CCO[C@H](C)C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 242346856 ZJQYZOVVWVQTLT-DAXOMENPSA-N 307.390 2.732 0 50 DFAA Cc1ccc(NC2(C(=O)Nn3cnnc3)CCCCC2)cc1C 67641989 HNBUMZOJYGDSLB-UHFFFAOYSA-N 313.405 2.780 0 50 DFAA O=C(NCc1nc(CCc2ccccc2)n[nH]1)c1ccccc1 65496683 SQJRDRNRLKMLNA-UHFFFAOYSA-N 306.369 2.520 0 50 DFAA Cc1[nH]ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331666212 UHCMZZCNOZLNBD-XHDPSFHLSA-N 306.312 2.549 0 50 DFAA CCn1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)c(C)n1 372508 XYDJTBWQLXFIRD-UHFFFAOYSA-N 321.402 2.929 0 50 DFAA Cc1oc2ccc(OS(C)(=O)=O)cc2c1C(=O)OC(C)C 1799168 BHENFRIVAIVCFB-UHFFFAOYSA-N 312.343 2.645 0 50 DFAA biogenic CC(C)n1cc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)cn1 12093526 XLVFUHBIDVIPHY-OAHLLOKOSA-N 318.465 2.735 0 50 DFAA COc1ccc([C@H](C)C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 237231772 FTBZUQRSAMRFKZ-UONOGXRCSA-N 319.401 2.902 0 50 DFAA Fc1ccc(CC[C@@H]2CCCN(CCCn3cnnn3)C2)cc1 72150174 PPNFGSNXPUSVQZ-INIZCTEOSA-N 317.412 2.547 0 50 DFAA O=C(O)[C@H]1C[C@@H](OCc2ccccc2)CN1Cc1ccccc1 35287444 ZQOGQRMHCXHWHK-QZTJIDSGSA-N 311.381 2.931 0 50 DFAA O=C(O)CC[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 238001187 DDJUHOHVRMIEAP-CQSZACIVSA-N 305.374 2.559 0 50 DFAA O=C(O)CN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 238159479 TUEPYZBWZPIEPS-JTQLQIEISA-N 304.173 2.921 0 50 DFAA O=C([C@H]1CCCC12OCCO2)N(Cc1ccc(F)cc1)C1CC1 253405449 MRMPXEFFRRUJOV-MRXNPFEDSA-N 319.376 2.860 0 50 DFAA Cc1noc(CCC(=O)N2CCc3cccc(Cl)c3C2)n1 458045385 XCVYVHRGSGHXAE-UHFFFAOYSA-N 305.765 2.549 0 50 DFAA Cc1ccccc1CN1CCCN(CC[C@@H]2CCCN2C)CC1 367215706 LQVZLFUINGCFHX-FQEVSTJZSA-N 315.505 2.987 0 50 DFAA Cc1cncc(CN2CCc3c(nnn3-c3ccccc3)C2)c1 366597611 OREJCONFTWYRSL-UHFFFAOYSA-N 305.385 2.529 0 50 DFAA CSc1ccccc1CN1CCC[C@H](CS(C)(=O)=O)C1 215989054 XSRUXPZJGKDKMQ-ZDUSSCGKSA-N 313.488 2.665 0 50 DFAA COc1ccccc1OC1CCN(C(=O)c2cc(C)on2)CC1 77428302 AWUSWBLLBNZYDN-UHFFFAOYSA-N 316.357 2.675 0 50 DFAA CC(C)n1nnnc1C[S@](=O)CCC1C[C@H](C)C[C@@H](C)C1 133305940 ZVFBJXDNQFLPEG-ZNLKAECVSA-N 312.483 2.965 0 50 DFAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CCC2 261914479 QQOGJBGBOABRNU-GOSISDBHSA-N 321.376 3.000 0 50 DFAA O=C(Nc1cc(CCc2ccccc2)ccn1)C1=COCCO1 175226830 OWRJFQXAZKCEFJ-UHFFFAOYSA-N 310.353 2.694 0 50 DFAA O=C(c1ocnc1C1CC1)N1CC[C@@]2(C1)OCc1ccccc12 377528515 RPIHCUCNTZIDCV-SFHVURJKSA-N 310.353 2.824 0 50 DFAA COCc1nccc([C@H]2CCCN(Cc3ncccc3C)C2)n1 378384984 PJYAUVJGJRTQDH-HNNXBMFYSA-N 312.417 2.706 0 50 DFAA Cc1ccc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)s1 215251412 RWAIELDLSYTRFU-HNNXBMFYSA-N 322.474 2.774 0 50 DFAA Cc1nc([C@H](C)N(C)S(=O)(=O)c2cccnc2)c(C)s1 77522531 IWRDADRUXPJAED-VIFPVBQESA-N 311.432 2.537 0 50 DFAA CC[C@@H]1CN(C(=O)c2ccc3nc(C)oc3c2)C[C@H](C)[S@@]1=O 288143222 YWIGYLPIKSEXBZ-MRRXJUKCSA-N 320.414 2.508 0 50 DFAA O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(F)c(C(F)(F)F)c1 288240163 AMZYUALTIBYNGM-MRVPVSSYSA-N 318.270 2.842 0 50 DFAA O=C(c1cccc2cnccc12)N1CCC(c2ccn[nH]2)CC1 221188296 QTYWURURIBDIHM-UHFFFAOYSA-N 306.369 2.978 0 50 DFAA COc1cc(C(=O)N2CC(CC(F)F)C2)c2ccccc2n1 616422707 ANKILHKPNCLDPT-UHFFFAOYSA-N 306.312 2.971 0 50 DFAA Cc1cc(C)cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1 47986826 SLZZJCHVUUZTIR-UHFFFAOYSA-N 303.406 2.636 0 50 DFAA CNC[C@H]1CCN(C(=O)c2ccc(Cl)c3cccnc23)C1 179006316 ZNWRLASSHXVPSF-LLVKDONJSA-N 303.793 2.570 0 50 DFAA O=C(c1cc(Cl)ccc1F)N1CCCC[C@@H]1c1nc[nH]n1 181175429 RFSLFKZMPSCWMO-GFCCVEGCSA-N 308.744 2.965 0 50 DFAA O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCCn1cccc1 95392312 ZDBNANZNOASLPP-DLBZAZTESA-N 303.450 2.649 0 50 DFAA C[C@@H](O)c1cccc(N2CCN(Cc3cccc(F)c3)CC2)n1 95506671 NRAPUGNPFLZRLX-CQSZACIVSA-N 315.392 2.596 0 50 DFAA O=C(O)c1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1 237997915 XNDVPEYRYSLADS-CYBMUJFWSA-N 317.366 2.660 0 50 DFAA Cc1ccc(CN2CC[C@H](N(C)C)[C@H](CCCO)C2)c(F)c1 91914860 FTXBXTKACCCUQG-AEFFLSMTSA-N 308.441 2.659 0 50 DFAA CN(Cc1nnc(-c2cccnc2)o1)C[C@@H]1Cc2ccccc2O1 240936916 SFWYZRCKZZVQSS-HNNXBMFYSA-N 322.368 2.567 0 50 DFAA 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O=C(Cn1ccc2ccccc21)N1CCC(c2ccncn2)CC1 219808020 FFTKEVHAJFUQKF-UHFFFAOYSA-N 320.396 2.838 0 50 DFAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1cccc(OC(F)(F)C(F)F)c1 5428595 FEWTZJMQDFMOPU-RKDXNWHRSA-N 321.226 2.583 0 50 DFAA Cc1ccc(F)c(OCC(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 237771129 NSTQOHVWNBYEQQ-ZDUSSCGKSA-N 323.364 2.616 0 50 DFAA CCc1ccnc(CNC(=O)N2CCCO[C@@H](C(C)C)C2)c1 458736952 OQWDQLYBYYLFFG-MRXNPFEDSA-N 305.422 2.601 0 50 DFAA Cc1nc2n(n1)CCN(C(=O)Nc1ccc(C(C)C)c(F)c1)C2 253428299 JVWIUHHYTULXFP-UHFFFAOYSA-N 317.368 2.897 0 50 DFAA COCCOc1ccccc1NCc1ncnn1-c1ccccc1 357333501 NFOFVNGLZMCAFH-UHFFFAOYSA-N 324.384 2.905 0 50 DFAA O=C(Nc1nnc(C(F)F)s1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 245289710 DOYQWMFYNPADJA-RNJXMRFFSA-N 318.349 2.555 0 50 DFAA Cc1nnc(-c2cccc(NC(=O)[C@H]3CC[C@@H](N)C3)c2)s1 72463670 MHCWVQRDZJLHLG-CMPLNLGQSA-N 302.403 2.579 0 50 DFAA C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1ncc(C(C)(C)C)s1 368668449 XGFSPPNEGIHKES-ZIAGYGMSSA-N 323.506 2.736 0 50 DFAA O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(F)cc1 156763238 HJYHKMTZADADHI-MRXNPFEDSA-N 318.392 2.737 0 50 DFAA C[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 378426948 WXRDCQGNISDPMR-YJBOKZPZSA-N 316.445 2.534 0 50 DFAA C[C@@H]1C[C@@H](C)N(C(=O)C(F)F)C[C@@H]1CNC(=O)OC(C)(C)C 496757243 KJVOXYDXCXFNJF-MXWKQRLJSA-N 320.380 2.649 0 50 DFAA CC1(C)C[C@@]1(C(=O)NCCc1csc(N)n1)c1cccs1 219004580 OIKJHQKRDBCRRV-HNNXBMFYSA-N 321.471 2.813 0 50 DFAA Nc1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1 215878298 XTCWAZRMVANMJM-MRXNPFEDSA-N 310.401 2.686 0 50 DFAA Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)C3CC3)CC2)cc1 175301409 MEDFBKOXYQGDJK-AWEZNQCLSA-N 314.429 2.762 0 50 DFAA O=C(CCC(F)(F)F)NCc1csc(-c2ncccn2)n1 222784690 SOONWZGCGFDKDT-UHFFFAOYSA-N 316.308 2.559 0 50 DFAA Cc1csc(S(=O)(=O)Cc2nc(-c3ccco3)oc2C)n1 160909584 GJPHRDWIEIMPKE-UHFFFAOYSA-N 324.383 2.982 0 50 DFAA O=C(O)C1(Oc2cccc(F)c2)CCN(c2nccs2)CC1 82157834 BZRWRZFLYPKTDX-UHFFFAOYSA-N 322.361 2.785 0 50 DFAA Cc1ccccc1CSCCNC(=O)[C@H]1CCC[C@H](O)C1 223030265 QHAHDJJWZBALOG-HOCLYGCPSA-N 307.459 2.896 0 50 DFAA CC(C)(C)c1nc(CN2CCO[C@H](Cc3ccccc3)C2)n[nH]1 292792522 AUUHQEZHUNWWQX-OAHLLOKOSA-N 314.433 2.546 0 50 DFAA COc1ccc(C(=O)Cn2cc(-c3ccccc3)n(C)c2=N)cc1 334157633 WHYFHIIOXAZSJN-UHFFFAOYSA-N 321.380 2.865 0 50 DFAA Cc1nnc(CCNC(=O)c2ccc3cccc(F)c3n2)s1 91304321 GGCJYKRXXOAJSP-UHFFFAOYSA-N 316.361 2.506 0 50 DFAA CCn1ccnc1C1CCN(C(=O)c2cnc(C)c(C)c2)CC1 97572306 RULAUSDQQOOUHE-UHFFFAOYSA-N 312.417 2.935 0 50 DFAA C[C@H]1CCC[C@@]1(O)CNc1nc(-c2cccnc2)nc2c1CCC2 294035425 LLOLHOBLSFKYAV-ORAYPTAESA-N 324.428 2.990 0 50 DFAA CC(C)(O)CCc1cccc(-c2nc([C@@H]3CCOC3)no2)c1 96151199 GEVIXYRBSOGNMB-CQSZACIVSA-N 302.374 2.944 0 50 DFAA Cc1ccnc([C@@H](NC(=O)CCc2n[nH]c(C)c2C)C2CC2)c1 97578762 JSQQKHSDKNOFLY-SFHVURJKSA-N 312.417 2.930 0 50 DFAA CCCn1ccnc1-c1cn(Cc2cn3cc(C)ccc3n2)nn1 91364830 GEFFFJRIBVJQIV-UHFFFAOYSA-N 321.388 2.556 0 50 DFAA O=C(Nc1ccn2ccnc2c1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 297260774 XYUVQJQERUNHSI-WBVHZDCISA-N 312.373 2.510 0 50 DFAA O=C(O)[C@@H]1[C@H]2CN(C3CCN(c4cccc(Cl)c4)CC3)C[C@H]21 534589553 DEMXQOBYWDVQGC-ZSHCYNCHSA-N 320.820 2.571 0 50 DFAA Cc1cnc([C@H](C)NC(=O)c2c(C)oc3c2C(=O)CCC3)[nH]1 534634735 PXIFPXVCYVAYGG-VIFPVBQESA-N 301.346 2.630 0 50 DFAA FC(F)(F)c1ccccc1N1CC[C@H](NCc2ncc[nH]2)C1 185205168 IZNWMYTWLGWLPU-NSHDSACASA-N 310.323 2.797 0 50 DFAA Cc1cc(CC(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)on1 299793346 IYNFJZVDRVQDSY-UHFFFAOYSA-N 312.373 2.677 0 50 DFAA Cc1noc(CC2CCN(C(=O)c3cc(F)ccc3F)CC2)n1 299782435 JELZQFUGPPRYTA-UHFFFAOYSA-N 321.327 2.751 0 50 DFAA O=C(O)CCCCCCN1C(=O)C[C@@H](c2ccccc2)C1=O 386434748 PKTLZTUGLCCPNH-AWEZNQCLSA-N 303.358 2.564 0 50 DFAA CC(C)(C(=O)N1CCC[C@H]1c1nc(C2CC2)no1)n1cccc1 299776134 KGJJHXAILYENML-ZDUSSCGKSA-N 314.389 2.847 0 50 DFAA O=C(NCC[C@H]1CCCOC1)Nc1cccc(-n2cccn2)c1 299760134 NTDZZITZSRBNRL-CQSZACIVSA-N 314.389 2.811 0 50 DFAA Cc1ccc2c(NC(=O)N3CCN4CCC[C@@H]4C3)cccc2n1 299787627 OKYMAYKARZQTPM-CQSZACIVSA-N 310.401 2.855 0 50 DFAA COC1CC(C(=O)NCc2c(C(=O)O)sc3ccccc23)C1 630137780 VEYYODUJSOOIKE-UHFFFAOYSA-N 319.382 2.641 0 50 DFAA CCc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)o1 1875282840 UWPYGWAKBOXEPJ-UHFFFAOYSA-N 301.371 2.879 0 50 DFAA CN1C(=O)C[C@@H](CNc2ncccc2Cl)[C@@H]1c1cccnc1 886034946 IOQMSHVOPWXBKA-WFASDCNBSA-N 316.792 2.762 0 50 DFAA Cc1ccc([C@@H](C)CNS(=O)(=O)C2CC(F)(F)C2)cc1 1775989712 GKZKGSFCWYMJJF-NSHDSACASA-N 303.374 2.816 0 50 DFAA CC(C)n1cc(NC(=O)N2CCC[C@H](c3cn[nH]c3)C2)cn1 1775984702 ARWYABGWYSXZEC-LBPRGKRZSA-N 302.382 2.599 0 50 DFAA CCn1nnc(C)c1CN1CCCC[C@@H]1Cc1ccc(O)cc1 1364548748 SPVNYTRYLVBETG-MRXNPFEDSA-N 314.433 2.909 0 50 DFAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)c2cccs2)cn1 275245231 FTPKWQSBOPIZSR-OSAQELSMSA-N 319.430 2.920 0 50 DFAA Cc1cc([C@H](C)NC(=O)N[C@H](C)C[S@](C)=O)cc(C)c1F 170075419 WIDYBRYJXFSXPW-IDFMNXDXSA-N 314.426 2.570 0 50 DFAA Cc1c(C(=O)NC[C@@H]2CCC(C)(C)O2)cnn1C1CCCC1 187338775 VAVNAAWFULLLSK-AWEZNQCLSA-N 305.422 2.994 0 50 DFAA C[C@H](CC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)n1cccc1 221904765 HRNFTCLOPRCMGS-QPSCCSFWSA-N 304.390 2.684 0 50 DFAA CCn1cnnc1[C@H]1CCCN(C(=O)c2ccoc2Cl)C1 192418265 QFVQDBAEAJASRM-JTQLQIEISA-N 308.769 2.564 0 50 DFAA O=C(Nc1nc2c(s1)CCCC2)c1[nH]nc2c1CCCC2 192774278 PCSQCEYUBSTENA-UHFFFAOYSA-N 302.403 2.876 0 50 DFAA Cc1ccc(F)c(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)c1 193074108 LYAUXSMBWMXIHF-GOSISDBHSA-N 315.344 2.906 0 50 DFAA O=C(NCCSC(F)(F)F)C1(N2CCCC2)CCCC1 1506405919 LYFWUSYCFRMFQR-UHFFFAOYSA-N 310.385 2.764 0 50 DFAA CCCC[C@@H]1CN(C(=O)c2cccc(O)n2)C[C@H](C2CC2)O1 1529158479 FAXMKQPNLHNRPW-UKRRQHHQSA-N 304.390 2.597 0 50 DFAA Cc1ccc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)c(F)c1F 1529098897 OODOUDKPQLNNGF-CVEARBPZSA-N 318.367 2.704 0 50 DFAA CCOc1cccc(Cc2nc(C3(COC)CCCC3)no2)n1 1615626900 QTTFLYNNSDJOLX-UHFFFAOYSA-N 317.389 2.912 0 50 DFAA OCCOc1ccccc1-c1nccn1-c1cccc2c1CCO2 1772812976 SLAFWPGAQRKHAX-UHFFFAOYSA-N 322.364 2.845 0 50 DFAA Cn1cc(Cl)cc1C(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775978043 LEXVNKSWDUZCJK-MRXNPFEDSA-N 318.808 2.522 0 50 DFAA C[C@H]1CCCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 12441275 ZXJKXESWEMPFHQ-LBPRGKRZSA-N 318.808 2.852 0 50 DFAA C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(N)=O)c1 14557926 ZFNSEYGQPQMCLP-JTQLQIEISA-N 318.760 2.845 0 50 DFAA CC(C)C[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12 1857528954 JIYYQKMTWRITMF-YVVXQTMVSA-N 301.386 2.578 0 50 DFAA Cc1cc([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CCOC2)c(C)o1 331453241 XXUWOEGUEKQVEE-PWSUYJOCSA-N 303.362 2.614 0 50 DFAA Clc1cccc(-c2nc(=N[C@H]3CCO[C@@H]3C3CC3)o[nH]2)c1 328859870 YTHRHLDPQRMKTL-QWHCGFSZSA-N 305.765 2.791 0 50 DFAA C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1ccn(CC(F)(F)F)n1 245289600 CZCGGTKTGZMLPJ-GMTAPVOTSA-N 318.343 2.645 0 50 DFAA FC(F)Oc1ccc([C@@H]2CN(CCn3ccnc3)CCO2)cc1 253421006 VBXOBLNFKAJEAU-HNNXBMFYSA-N 323.343 2.558 0 50 DFAA COc1cc2c(c3c1OCO3)C(c1ccccc1O)=N[C@@H](C)C2 257540574 VLWOJCTZUOKEOM-JTQLQIEISA-N 311.337 2.912 0 50 DFAA CC[C@@H](C(=O)O)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 263574508 NSISOUMDWRFTNY-WFASDCNBSA-N 301.390 2.914 0 50 DFAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(C(=O)C(C)C)C1 942335842 QPWBLHZXNRQOIM-CYBMUJFWSA-N 308.809 2.635 0 50 DFAA COc1ccc(-c2cn([C@@H]3COC(C)(C)C3)nn2)cc1OC 900551345 CDQCYGYXVWRSJB-LBPRGKRZSA-N 303.362 2.702 0 50 DFAA Cc1ccccc1[C@H](O)CN1CC[C@@H](OCc2ccncc2)C1 805753688 RRCOQLJSBCDURO-IEBWSBKVSA-N 312.413 2.715 0 50 DFAA Cc1ccc(NC(=O)c2c(Br)cnn2C)cc1F 2761347 PXDLLTQJPUBGHJ-UHFFFAOYSA-N 312.142 2.882 0 50 DFAA CN(CCN(C)C1CC1)C(=O)c1nc(Cl)sc1Cl 408517262 DXUVVDZZDREPTP-UHFFFAOYSA-N 308.234 2.616 0 50 DFAA CCn1cnnc1SCC(=O)Nc1cc(Cl)ccc1C 4743181 VRYNLMBTFYWTGP-UHFFFAOYSA-N 310.810 2.991 0 50 DFAA Cc1ccc(-c2nnc(CN3CCn4ccnc4[C@H]3C)o2)cc1 2325771927 CCMGNDITWNOMQK-CYBMUJFWSA-N 309.373 2.818 0 50 DFAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)ccc1O 324877 YBOLYPCKFGQPTL-INIZCTEOSA-N 315.325 2.999 0 50 DFAA CCOC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 611334 KVXPPXDWVITJJU-VXGBXAGGSA-N 306.362 2.504 0 50 DFAA CN(Cc1cn(C)nc1-c1cccc(Cl)c1)[C@@H]1CCOC1 12574318 HIXAVCTZEQQQPC-OAHLLOKOSA-N 305.809 2.961 0 50 DFAA CCOP(=O)(OCC)[C@@H](O)c1ccc(OC)c(OC)c1 1883807 FEJLCTVIPAAWFO-CYBMUJFWSA-N 304.279 2.961 0 50 DFAA CO[C@H]1CC[C@H](NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)CC1 2356136273 NEGRNWAHHHZMTM-MGPQQGTHSA-N 323.462 2.648 0 50 DFAA CN1CCC[C@]2(CCCN2Cc2cccc(OC(F)F)c2)C1=O 2356138893 SBWDSEJGPVIPSG-KRWDZBQOSA-N 324.371 2.875 0 50 DFAA Cc1nc(CN2CCC3(CC2)OCCc2sccc23)no1 2356146008 NMNFMNROGGXWGW-UHFFFAOYSA-N 305.403 2.504 0 50 DFAA O=C1C[C@H](C(=O)N2CCCc3ccccc3C2)C2(CCCC2)O1 2356148595 HYMGBLOMEVMXMA-MRXNPFEDSA-N 313.397 2.837 0 50 DFAA Cc1nc(NC(=O)CC(C)C)ccc1I 4841173 KDSQLRQBAMBSIS-UHFFFAOYSA-N 318.158 2.979 0 50 DFAA Cc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 10364020 QRFMJDHDORNCFH-UHFFFAOYSA-N 304.371 2.619 0 50 DFAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1ccc2[nH]ccc2c1 328625987 LHPRBNRECLQZKS-CYBMUJFWSA-N 308.385 2.699 0 50 DFAA O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCO[C@]2(CCSC2)C1 110689798 BWAHRQBWWLQAAE-WNZSCWOMSA-N 324.490 2.777 0 50 DFAA O=C(O)c1ccc(-c2noc(CN3Cc4ccccc4C3)n2)cc1 67872542 UMGRLPXYWJNAJR-UHFFFAOYSA-N 321.336 2.951 0 50 DFAA C[C@@H](c1ccncc1)N(C)CC(=O)Nc1ccc(Cl)cn1 179137953 BYKVLQKLDIDLLB-NSHDSACASA-N 304.781 2.762 0 50 DFAA Fc1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1 20534270 YWINJMFDCLHSLY-UHFFFAOYSA-N 324.403 2.791 0 50 DFAA O=C(CCNCc1cc(F)ccc1F)NCc1cccs1 65422229 TXQNZJKRLGKEON-UHFFFAOYSA-N 310.369 2.822 0 50 DFAA O[C@](Cc1ccccc1F)(Cn1cncn1)c1ccc(F)cc1 23634633 CZPVZNBNSRXZJZ-QGZVFWFLSA-N 315.323 2.687 0 50 DFAA CC(C)c1cc(C(=O)N2CCC[C@H](N3CCCC3)CC2)nn1C 173452577 BVZGOEMEWAXBDC-HNNXBMFYSA-N 318.465 2.634 0 50 DFAA Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc2c(c1)CCO2 126907386 QMMLHEAMMWHEJM-UHFFFAOYSA-N 320.370 2.596 0 50 DFAA Cn1c(=O)n(C)c2cc(Sc3ccc(F)cc3)c(N)cc21 65364750 QYISLLNDNSFIJW-UHFFFAOYSA-N 303.362 2.750 0 50 DFAA CCc1c(C(F)(F)F)noc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 334043102 PAXXEEDOZBQTHG-VDAHYXPESA-N 304.268 2.762 0 50 DFAA COC(=O)/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl 1402584 YSMBEXWJMBSTDB-VURMDHGXSA-N 308.687 2.829 0 50 DFAA COCc1ncc(CN2CCC[C@@H]2c2ccccc2OC)cn1 216432382 UGUBDFQWBKBEGR-MRXNPFEDSA-N 313.401 2.969 0 50 DFAA C[C@H](N[C@H]1CCC[C@H]1CCO)c1nc(O)c2ccccc2n1 240900758 ITQMFQRJCYJRBB-OBJOEFQTSA-N 301.390 2.537 0 50 DFAA CCCCc1nc(CNc2ccc(Cl)cc2C(N)=O)no1 360378426 QTDDKKRZJVNRNG-UHFFFAOYSA-N 308.769 2.777 0 50 DFAA CC(C)C(=O)N1CCc2nc(N)c(C#N)c([C@H]3CC=CCC3)c2C1 71479504 UWUMYLOVSZFZRI-ZDUSSCGKSA-N 324.428 2.900 0 50 DFAA COCc1cc(C)nc2sc(C(=O)N3CCCC3)c(N)c12 37867498 AJRDQUDHXWLFIE-UHFFFAOYSA-N 305.403 2.569 0 50 DFAA CCc1occc1C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 373788811 LFTZWWNAQBITIF-GOSISDBHSA-N 310.353 2.578 0 50 DFAA O=C(NCc1cccnc1)c1ccc(Oc2ncccn2)cc1 72436983 AOPCQRFLSDRLBN-UHFFFAOYSA-N 306.325 2.594 0 50 DFAA Cc1ccn(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 285592598 QXKZLROAAVYFRT-HDMKZQKVSA-N 304.434 2.879 0 50 DFAA CC(C)=CCC[C@@H](C)N1CCC(Cn2cc(CCO)nn2)CC1 48212310 RDOAIOXWNZFWAW-MRXNPFEDSA-N 320.481 2.660 0 50 DFAA COc1cccc(CCC(=O)NCCC23CCCN2CCC3)c1 223033043 CHQMGLUNCALEQA-UHFFFAOYSA-N 316.445 2.763 0 50 DFAA CN(C(=O)c1csnn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 290305262 CMLNMUZHLKQLRQ-ZIAGYGMSSA-N 317.414 2.856 0 50 DFAA O=C(NCc1ccn2ccnc2c1)N1CCc2ccc(F)cc2C1 178442248 DMGAAEKOYUSHBP-UHFFFAOYSA-N 324.359 2.741 0 50 DFAA Cn1c(C2CCN(C(=O)c3cnco3)CC2)nc2ccccc21 221296364 RMSKXAZVQXLZTD-UHFFFAOYSA-N 310.357 2.581 0 50 DFAA CSC[C@H]1CCCN(C(=O)c2ccc3nc(C)cn3c2)C1 82137592 IIUNTVUNHPUCPB-ZDUSSCGKSA-N 303.431 2.858 0 50 DFAA Cc1ccc(S[C@@H](C)C(=O)N2CCc3[nH]cnc3C2)cc1 95356746 XRMJQDPVVLEGMM-LBPRGKRZSA-N 301.415 2.784 0 50 DFAA CCCn1ccnc1CN1CCC[C@](CC2CC2)(C(=O)O)C1 91706551 MBTKPXBPINLUPA-QGZVFWFLSA-N 305.422 2.760 0 50 DFAA CCc1nnc(CNC(=O)c2c[nH]nc2C2CCCCC2)s1 91587209 XZAKAYKCJKYEAO-UHFFFAOYSA-N 319.434 2.801 0 50 DFAA O=C(O)COc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 621533454 GCMUZFHEOBQSCZ-CQSZACIVSA-N 315.325 2.550 0 50 DFAA CSc1nc(C(=O)N[C@H](C)c2c(C)nn(C)c2C)cs1 244794695 QRUBISJDGLNIIT-SSDOTTSWSA-N 310.448 2.706 0 50 DFAA CCCC[C@@H](NC(=O)CCc1nc(Cl)n[nH]1)c1cccnc1 534589993 HTUFVZMVWCVLLP-GFCCVEGCSA-N 321.812 2.833 0 50 DFAA Cn1ncc2ncc(C(=O)N3CC[C@H]3c3ccc(F)cc3)cc21 1940193736 VADZPOCYXXGUGI-HNNXBMFYSA-N 310.332 2.695 0 50 DFAA O=C(O)c1ccc(F)c(NC(=O)c2cnc3ccc(F)cn23)c1 390822275 TYYUZCMYMZWFJQ-UHFFFAOYSA-N 317.251 2.563 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc([C@@H](O)[C@@H]2CCOC2)s1 950757213 HMHOYSOLGLDIHK-SCZZXKLOSA-N 300.380 2.560 0 50 DFAA Cc1nc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)nn1C 1875292570 MJLONACZLPMUKC-CYBMUJFWSA-N 318.808 2.624 0 50 DFAA Cc1nc(-c2ccccn2)cc(=NCC(C)(C)N2CCCC2)[nH]1 1875255366 LWEKEAQAKWJUQX-UHFFFAOYSA-N 311.433 2.555 0 50 DFAA O=C(Nc1nsc(C2CC2)n1)[C@@H]1CCCc2scnc21 1875322834 JYBUFGLIILDPNK-MRVPVSSYSA-N 306.416 2.931 0 50 DFAA O=C(OCc1ccnc(O)c1)[C@H]1SCCc2sccc21 1771880759 FEGJGSCGHKCHQZ-ZDUSSCGKSA-N 307.396 2.923 0 50 DFAA Cc1ccccc1OCCN[C@@H]1c2cnn(C)c2CC[C@H]1F 1775993331 YMPDOFYKEZVRGG-RHSMWYFYSA-N 303.381 2.723 0 50 DFAA O=C(O)[C@H]1CCN(C(=O)Cc2ccsc2)c2ccccc21 167130553 IXZFOGADAVTBMC-ZDUSSCGKSA-N 301.367 2.896 0 50 DFAA Cn1ccnc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 1361511886 YRHALLBDWIIFBR-NWDGAFQWSA-N 307.300 2.764 0 50 DFAA CO[C@@H]1CCCN(C(=O)N=c2cc[nH]cc2-c2ccccc2)C1 1467199228 AFFVCIJVIYYBIN-OAHLLOKOSA-N 311.385 2.813 0 50 DFAA Cc1c(F)cccc1NC(=O)[C@@H]1COCCN1CC1CCC1 185781535 WQJPOAFKOHBOBT-INIZCTEOSA-N 306.381 2.574 0 50 DFAA CCOc1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)ncn1 275698414 RKAMKFNEEAJMSW-AWEZNQCLSA-N 313.405 2.819 0 50 DFAA COC(=O)c1sc2[nH]c(C3CC(F)(F)C3)nc(=O)c2c1C 585086424 ZUEMPIJRHSZBPO-UHFFFAOYSA-N 314.313 2.592 0 50 DFAA Cn1cc(CN2CC(O)(c3ccc(F)cc3)C2)c(C(C)(C)C)n1 225415347 KEMYNAHZIHNOLM-UHFFFAOYSA-N 317.408 2.560 0 50 DFAA Cc1cc(F)cc(NC(=O)N(CCO)C2CCSCC2)c1 225524504 UETACZQHOMTXPQ-UHFFFAOYSA-N 312.410 2.856 0 50 DFAA CN(Cc1nnc(N(C)C)o1)Cc1csc2ccccc12 225675788 IMVIWELGNUWWPE-UHFFFAOYSA-N 302.403 2.982 0 50 DFAA O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCC[C@H](O)C1 189938137 CRNGZAJFHCUZNQ-LBPRGKRZSA-N 320.780 2.514 0 50 DFAA CSC[C@H](CCO)N[C@H](C)c1ccc(Br)o1 192891377 LDDVQQILGSFGIX-BDAKNGLRSA-N 308.241 2.807 0 50 DFAA C[C@@H](NC(=O)CCc1c[nH]cn1)c1ncc(-c2ccccc2)o1 193322998 DFHVHLFUXODTDR-GFCCVEGCSA-N 310.357 2.875 0 50 DFAA O=C(c1ccc(OC(F)F)cn1)N1CC[C@@H](c2ccccn2)C1 798718600 FFYGBJQMUNYQEY-LLVKDONJSA-N 319.311 2.708 0 50 DFAA COc1ccc(OC)c([C@@H]2CCN(CCn3nccc3C)C2)c1 1506398647 VKRRNZSNIDLJHJ-OAHLLOKOSA-N 315.417 2.698 0 50 DFAA Cc1cc2nc(CNC(=O)c3onc4ncccc34)[nH]c2cc1C 1775981406 SMVHJOZXWWUKFL-UHFFFAOYSA-N 321.340 2.646 0 50 DFAA Cc1csc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1 12865090 XBUHWLGYFTVRRB-UHFFFAOYSA-N 309.435 2.675 0 50 DFAA CCCN1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 13331040 ZJJKSAPAMMZOTH-AWEZNQCLSA-N 324.852 2.970 0 50 DFAA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1)C2O 19323133 UNSVBIQMIGGMDJ-UHFFFAOYSA-N 314.473 2.976 0 50 DFAA biogenic CCOC(=O)[C@@H]1C[C@@H](F)CN(C(=O)OCc2ccccc2)C1 169805785 COSJPXSPSMFHDG-ZIAGYGMSSA-N 309.337 2.546 0 50 DFAA CCOC(=O)[C@H]1C[C@@H](F)CN(C(=O)OCc2ccccc2)C1 169805787 COSJPXSPSMFHDG-UONOGXRCSA-N 309.337 2.546 0 50 DFAA CC1=C(C(=O)OC(C)C)[C@H](C=Cc2ccccc2)NC(=O)N1 1857528708 IXHONPOIKWETGP-AWEZNQCLSA-N 300.358 2.607 0 50 DFAA CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12 1857528953 JIYYQKMTWRITMF-IRWJRLHMSA-N 301.386 2.578 0 50 DFAA CO[C@@H](CNC(=O)c1nc2ccccn2c1C)c1cccs1 1857713810 OXCIOGWCAKEGED-LBPRGKRZSA-N 315.398 2.822 0 50 DFAA COc1cc(C(=O)N2CCO[C@H](C(C)C)C2)c2ccccc2n1 613312744 ZXPYIJOYTXEMQZ-INIZCTEOSA-N 314.385 2.740 0 50 DFAA C[C@@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(F)cc1F 225459355 QUDLODDXVQAVSW-LBPRGKRZSA-N 323.387 2.558 0 50 DFAA Cc1ccccc1C(=O)NCC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 120455090 DMWJWFCMAMETSW-LIRRHRJNSA-N 314.429 2.764 0 50 DFAA COc1cccc(C(=O)[C@H]2CCCN(Cc3ccon3)C2)c1 12072759 QBRWBWJQWFGDKF-AWEZNQCLSA-N 300.358 2.778 0 50 DFAA COc1nc(C(=O)NC[C@H]2CCCC[C@H]2O)cc2ccccc12 155635514 MJKOYULJCDYIMR-CZUORRHYSA-N 314.385 2.524 0 50 DFAA Cc1cnc(C(C)(C)NC(=O)Cc2ccc(C(=O)O)cc2)s1 263308091 FTNOOLIYJMPANF-UHFFFAOYSA-N 318.398 2.744 0 50 DFAA C[C@@]12CC[C@H](O)[C@@H](C1)N(C(=O)NC[C@@H]1CCC[C@@H]1C1CC1)C2 2325794642 LFDDBAZGLWEVPR-VNIVASGNSA-N 306.450 2.758 0 50 DFAA CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 29673 PGYYWJNTIXPSKH-UHFFFAOYSA-N 308.334 2.585 0 50 DFAA Cc1ccc(C(=O)N2CCCC2)cc1I 106247 PHDZGBPNBLHTJT-UHFFFAOYSA-N 315.154 2.836 0 50 DFAA CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccccc2)s1 249583 URMQWWBICZDKJI-UHFFFAOYSA-N 311.432 2.928 0 50 DFAA Cc1cc(OCCCC(=O)N2CCOCC2)cc(C)c1Cl 1787130 NATJQCFJOANVSQ-UHFFFAOYSA-N 311.809 2.975 0 50 DFAA O=C(NCc1cccc2ncsc12)[C@H]1Cc2ccccc2O1 2356159816 RGUKKRRQWPQGMG-OAHLLOKOSA-N 310.378 2.916 0 50 DFAA COc1cccc(CNCc2ccc(C(=O)O)cc2)c1OC 4657659 RSTHXXTUKPMZPO-UHFFFAOYSA-N 301.342 2.692 0 50 DFAA C[C@H]1CN([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CCN1 420331856 AWKJAUCOTNGFAU-RYUDHWBXSA-N 320.824 2.669 0 50 DFAA CC(C)(C)OC(=O)c1ccc(CN2CCC[C@H](CO)C2)s1 864088375 BXKJONGXRIELLP-LBPRGKRZSA-N 311.447 2.908 0 50 DFAA CC(=O)N[C@H](C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C1CCCC1 247918583 GKABDMDDQMJHLC-UUAYOZFRSA-N 306.450 2.622 0 50 DFAA CN(C)C(=O)C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 136350814 XUHYVOGPPJCNAB-UHFFFAOYSA-N 316.445 2.700 0 50 DFAA CCOC(=O)C[C@H]1CCCCN1C(=O)Cc1cccc(OC)c1 77389222 KKWNXMGUFRUNAW-OAHLLOKOSA-N 319.401 2.572 0 50 DFAA CC(C)c1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)[nH]n1 67804033 TWFLJTBKLOHGMP-KRWDZBQOSA-N 312.417 2.662 0 50 DFAA c1ccc2c(Cc3nc(-c4ccn5cncc5c4)no3)n[nH]c2c1 351054452 YFCBSQRFUMTNEM-UHFFFAOYSA-N 316.324 2.851 0 50 DFAA O=C(Nc1cnns1)c1cccc(CN2CC=CCC2)c1 67908829 PGDIBUIUORMERC-UHFFFAOYSA-N 300.387 2.552 0 50 DFAA CN1C(=O)[C@](O)([C@H]2C[C@@H](C(C)(C)C)CCC2=O)c2ccccc21 4557868 NOXDVAUQYFVDDK-PTAUBWNISA-N 315.413 2.882 0 50 DFAA Cc1ccccc1OCCN(C)C(=O)c1ccc(C(=O)O)s1 237196224 XSIHAXASZIWNMP-UHFFFAOYSA-N 319.382 2.906 0 50 DFAA CCCOc1ccc([C@H]2CC(=O)Nc3[nH]nc(C)c32)cc1OC 35171142 KTIYLAYEGINLEG-GFCCVEGCSA-N 315.373 2.990 0 50 DFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 252497876 FTXGCIFCKDVHFT-HNHYXYPQSA-N 315.392 2.952 0 50 DFAA O=C(c1cccc(-n2cccn2)n1)N1CC2(CC2)c2ccccc21 252528055 DZGIUSSYCGWLIQ-UHFFFAOYSA-N 316.364 2.959 0 50 DFAA O=C(NC1(C(=O)O)CCC1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 237939964 SMCLDPXAWCITGK-DTWKUNHWSA-N 311.740 2.706 0 50 DFAA O=C(N[C@H]1CC12CCCCC2)N[C@@H]1CCN(c2ccccn2)C1 245636814 XFRKOCAHLZGOPU-CABCVRRESA-N 314.433 2.682 0 50 DFAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CC12CCNCC2 261896842 DDTMXXIFFSVXKC-NXHRZFHOSA-N 312.457 2.856 0 50 DFAA O=C(Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)[C@@H]1CC12CCNCC2 261917597 IEXIEQVLVBFINX-FQUUOJAGSA-N 314.433 2.642 0 50 DFAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC1=CCCOC1 496423356 FKHQMVOPEXKGGV-FMKPAKJESA-N 324.465 2.957 0 50 DFAA CN(C/C=C/C(=O)N1CCc2ccccc2C1)CC(F)(F)F 492883244 WIAMENFNCFSCNC-QPJJXVBHSA-N 312.335 2.622 0 50 DFAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccnc(C(=O)O)c1 262563497 WCZRSDCLHSCPTG-JTQLQIEISA-N 316.279 2.583 0 50 DFAA Cc1nc(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)n[nH]1 426397391 LHZKGXYOPGPEOT-CQSZACIVSA-N 317.368 2.689 0 50 DFAA O=C(CCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)cc1 41109732 WQDYWQBQPMCYTM-NVXWUHKLSA-N 319.376 2.959 0 50 DFAA CCCOc1ccc(C(=O)NCCc2nc(C3CC3)no2)cc1 221438880 MVIHFYRXZXXWDO-UHFFFAOYSA-N 315.373 2.708 0 50 DFAA Cc1cc(-c2nc3c([nH]2)c(C)nn3Cc2ccccc2)n(C)n1 19743274 GTBZADLZOICCNR-UHFFFAOYSA-N 306.373 2.825 0 50 DFAA Cc1cccc(N2C[C@H](Nc3nc(C)nc(C)c3C)CC2=O)c1 91325384 BGPJPCVASCIQDW-OAHLLOKOSA-N 310.401 2.928 0 50 DFAA O=C(C[C@H]1CCCOC1)NCc1nc2ccc(Cl)cc2[nH]1 426674343 SJBLSGCZBJMHQH-SNVBAGLBSA-N 307.781 2.649 0 50 DFAA COc1ccc2cc(C(=O)N3CC(c4ccccn4)C3)n(C)c2c1 97602203 FZDATBOGBRFLKS-UHFFFAOYSA-N 321.380 2.822 0 50 DFAA COc1cccc([C@H]2CN(c3ncnc4[nH]ccc34)CCO2)c1 268865901 SOEVMJVRVDBDHF-OAHLLOKOSA-N 310.357 2.544 0 50 DFAA CC(C)COc1ccccc1N1CCN(CCCCO)CC1 96026593 NXLFZSYPEYIORN-UHFFFAOYSA-N 306.450 2.616 0 50 DFAA O=C(NCCn1ccnc1)N1CCC[C@H]1/C=C/c1cccs1 253418829 ALAFHFPLYIPDCC-GJBLVYBDSA-N 316.430 2.832 0 50 DFAA O=C(O)[C@H]1CC(=O)N(Cc2cccs2)[C@H]1c1ccccc1 601014524 NITBULCGQQKAOW-ZFWWWQNUSA-N 301.367 2.923 0 50 DFAA CN(Cc1cc(-c2cnn(C)c2)no1)c1c(F)cccc1F 185030668 DTMZCGHBADRFCW-UHFFFAOYSA-N 304.300 2.990 0 50 DFAA COCCNc1nc2ccccc2n1C[C@@H](O)c1ccccc1 252507991 WZJAIQCNDZDIHC-QGZVFWFLSA-N 311.385 2.828 0 50 DFAA Cn1cc(Cl)c(C(=O)NCc2nc(C(C)(C)C)cs2)n1 534673871 LUMFWFIIBQJOCF-UHFFFAOYSA-N 312.826 2.758 0 50 DFAA O=C(O)Cc1cc(Br)c(Br)cc1F 263624513 RFOBEHURENLFAJ-UHFFFAOYSA-N 311.932 2.978 0 50 DFAA Cc1cc(C)n(C2CN(C(=O)c3cccc4ncsc34)C2)n1 1940197326 HNFDJABYFDJKML-UHFFFAOYSA-N 312.398 2.807 0 50 DFAA Cc1ccccc1CC1(NC(=O)CN(C)Cc2cccnc2)CC1 299761015 SZMHTZOOZMUJJV-UHFFFAOYSA-N 323.440 2.713 0 50 DFAA COc1ccc(C)c(NC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)c1 299767228 PWIYNHVRXHVHKV-HALDLXJZSA-N 317.433 2.808 0 50 DFAA Cc1nc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cs1 825317511 MLEKJKAQSDJWEY-UHFFFAOYSA-N 303.387 2.714 0 50 DFAA O=C(CCN1CCCCCC1=O)N[C@H]1CCc2ccccc21 828015029 KUKPMVRDAHQCOH-INIZCTEOSA-N 300.402 2.583 0 50 DFAA CC(C)(C)OC(=O)Nc1ncc([C@H](O)[C@@H]2CCCOC2)s1 952876803 XAFRMKYOOSQFAE-MWLCHTKSSA-N 314.407 2.950 0 50 DFAA 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